USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 675 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 33 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= -0.333 USER MOD Set 2.2: A 37 GLN : amide:sc= -1 X(o=-1.3,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 132:sc= -0.016 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0321 (180deg=-0.219) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -3.16 K(o=-3.2,f=-4.9!) USER MOD Single : A 51 MET CE :methyl -114:sc= -1.44 (180deg=-8.32!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00065 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0634 USER MOD Single : A 66 THR OG1 : rot 169:sc= -0.819 USER MOD Single : A 68 ASN : amide:sc= -0.928 K(o=-0.93,f=-4.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00139 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 78 SER OG : rot -150:sc= -0.213 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.118 (180deg=-0.515) USER MOD Single : A 80 MET CE :methyl -124:sc= -2.81 (180deg=-9.04!) USER MOD Single : A 91 SER OG : rot 22:sc= 0.0701 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.0074) USER MOD Single : A 105 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-1.1) USER MOD Single : A 107 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 14.076 -23.645 -16.338 1.00 43.15 N ATOM 257 CA ALA A 17 13.977 -22.221 -16.045 1.00 2.40 C ATOM 258 C ALA A 17 13.702 -21.417 -17.311 1.00 44.14 C ATOM 259 O ALA A 17 14.091 -21.817 -18.409 1.00 44.40 O ATOM 260 CB ALA A 17 15.251 -21.730 -15.372 1.00 71.44 C ATOM 0 HA ALA A 17 13.139 -22.074 -15.364 1.00 2.40 H new ATOM 0 HB1 ALA A 17 15.163 -20.665 -15.159 1.00 71.44 H new ATOM 0 HB2 ALA A 17 15.404 -22.275 -14.440 1.00 71.44 H new ATOM 0 HB3 ALA A 17 16.100 -21.898 -16.034 1.00 71.44 H new ATOM 266 N PHE A 18 13.029 -20.282 -17.152 1.00 62.22 N ATOM 267 CA PHE A 18 12.701 -19.423 -18.284 1.00 12.13 C ATOM 268 C PHE A 18 13.789 -18.377 -18.507 1.00 25.35 C ATOM 269 O PHE A 18 14.621 -18.133 -17.632 1.00 23.22 O ATOM 270 CB PHE A 18 11.355 -18.733 -18.053 1.00 54.14 C ATOM 271 CG PHE A 18 10.283 -19.660 -17.555 1.00 62.23 C ATOM 272 CD1 PHE A 18 9.825 -19.574 -16.251 1.00 1.44 C ATOM 273 CD2 PHE A 18 9.734 -20.619 -18.392 1.00 4.12 C ATOM 274 CE1 PHE A 18 8.839 -20.425 -15.789 1.00 71.11 C ATOM 275 CE2 PHE A 18 8.748 -21.473 -17.936 1.00 51.21 C ATOM 276 CZ PHE A 18 8.300 -21.377 -16.633 1.00 4.42 C ATOM 0 H PHE A 18 12.700 -19.936 -16.251 1.00 62.22 H new ATOM 0 HA PHE A 18 12.634 -20.048 -19.175 1.00 12.13 H new ATOM 0 HB2 PHE A 18 11.489 -17.925 -17.333 1.00 54.14 H new ATOM 0 HB3 PHE A 18 11.025 -18.277 -18.986 1.00 54.14 H new ATOM 0 HD1 PHE A 18 10.244 -18.833 -15.587 1.00 1.44 H new ATOM 0 HD2 PHE A 18 10.081 -20.700 -19.412 1.00 4.12 H new ATOM 0 HE1 PHE A 18 8.490 -20.346 -14.770 1.00 71.11 H new ATOM 0 HE2 PHE A 18 8.328 -22.215 -18.598 1.00 51.21 H new ATOM 0 HZ PHE A 18 7.530 -22.044 -16.275 1.00 4.42 H new ATOM 286 N THR A 19 13.778 -17.762 -19.685 1.00 44.10 N ATOM 287 CA THR A 19 14.765 -16.744 -20.025 1.00 72.52 C ATOM 288 C THR A 19 14.229 -15.793 -21.089 1.00 61.21 C ATOM 289 O THR A 19 13.564 -16.215 -22.035 1.00 74.21 O ATOM 290 CB THR A 19 16.074 -17.378 -20.532 1.00 20.50 C ATOM 291 OG1 THR A 19 16.265 -18.660 -19.923 1.00 62.43 O ATOM 292 CG2 THR A 19 17.264 -16.482 -20.224 1.00 20.44 C ATOM 0 H THR A 19 13.097 -17.951 -20.420 1.00 44.10 H new ATOM 0 HA THR A 19 14.970 -16.185 -19.112 1.00 72.52 H new ATOM 0 HB THR A 19 16.000 -17.497 -21.613 1.00 20.50 H new ATOM 0 HG1 THR A 19 17.098 -19.057 -20.252 1.00 62.43 H new ATOM 0 HG21 THR A 19 18.177 -16.951 -20.591 1.00 20.44 H new ATOM 0 HG22 THR A 19 17.129 -15.517 -20.713 1.00 20.44 H new ATOM 0 HG23 THR A 19 17.340 -16.335 -19.147 1.00 20.44 H new ATOM 300 N PHE A 20 14.524 -14.507 -20.929 1.00 32.40 N ATOM 301 CA PHE A 20 14.070 -13.495 -21.876 1.00 21.41 C ATOM 302 C PHE A 20 14.693 -13.719 -23.251 1.00 33.11 C ATOM 303 O PHE A 20 15.893 -13.966 -23.369 1.00 63.34 O ATOM 304 CB PHE A 20 14.421 -12.096 -21.366 1.00 52.12 C ATOM 305 CG PHE A 20 13.553 -11.637 -20.230 1.00 13.22 C ATOM 306 CD1 PHE A 20 12.172 -11.700 -20.326 1.00 51.20 C ATOM 307 CD2 PHE A 20 14.117 -11.141 -19.066 1.00 24.55 C ATOM 308 CE1 PHE A 20 11.370 -11.278 -19.282 1.00 21.50 C ATOM 309 CE2 PHE A 20 13.321 -10.719 -18.018 1.00 72.11 C ATOM 310 CZ PHE A 20 11.945 -10.786 -18.127 1.00 25.51 C ATOM 0 H PHE A 20 15.075 -14.141 -20.153 1.00 32.40 H new ATOM 0 HA PHE A 20 12.987 -13.579 -21.969 1.00 21.41 H new ATOM 0 HB2 PHE A 20 15.462 -12.086 -21.044 1.00 52.12 H new ATOM 0 HB3 PHE A 20 14.335 -11.386 -22.188 1.00 52.12 H new ATOM 0 HD1 PHE A 20 11.717 -12.083 -21.227 1.00 51.20 H new ATOM 0 HD2 PHE A 20 15.192 -11.083 -18.976 1.00 24.55 H new ATOM 0 HE1 PHE A 20 10.295 -11.333 -19.370 1.00 21.50 H new ATOM 0 HE2 PHE A 20 13.774 -10.337 -17.115 1.00 72.11 H new ATOM 0 HZ PHE A 20 11.321 -10.454 -17.311 1.00 25.51 H new ATOM 320 N THR A 21 13.867 -13.631 -24.289 1.00 61.12 N ATOM 321 CA THR A 21 14.335 -13.825 -25.656 1.00 34.11 C ATOM 322 C THR A 21 14.108 -12.574 -26.497 1.00 61.22 C ATOM 323 O THR A 21 14.951 -12.201 -27.314 1.00 31.15 O ATOM 324 CB THR A 21 13.627 -15.017 -26.328 1.00 1.01 C ATOM 325 OG1 THR A 21 12.247 -14.707 -26.548 1.00 53.41 O ATOM 326 CG2 THR A 21 13.740 -16.268 -25.469 1.00 42.41 C ATOM 0 H THR A 21 12.871 -13.427 -24.209 1.00 61.12 H new ATOM 0 HA THR A 21 15.404 -14.032 -25.598 1.00 34.11 H new ATOM 0 HB THR A 21 14.113 -15.207 -27.285 1.00 1.01 H new ATOM 0 HG1 THR A 21 12.004 -14.933 -27.470 1.00 53.41 H new ATOM 0 HG21 THR A 21 13.233 -17.096 -25.964 1.00 42.41 H new ATOM 0 HG22 THR A 21 14.791 -16.519 -25.328 1.00 42.41 H new ATOM 0 HG23 THR A 21 13.277 -16.086 -24.499 1.00 42.41 H new ATOM 334 N LYS A 22 12.965 -11.929 -26.293 1.00 52.31 N ATOM 335 CA LYS A 22 12.627 -10.717 -27.031 1.00 62.53 C ATOM 336 C LYS A 22 12.582 -9.509 -26.102 1.00 15.21 C ATOM 337 O LYS A 22 11.636 -9.342 -25.331 1.00 72.41 O ATOM 338 CB LYS A 22 11.279 -10.884 -27.735 1.00 54.15 C ATOM 339 CG LYS A 22 11.372 -11.618 -29.062 1.00 34.11 C ATOM 340 CD LYS A 22 10.227 -11.243 -29.988 1.00 43.34 C ATOM 341 CE LYS A 22 10.363 -11.920 -31.344 1.00 15.42 C ATOM 342 NZ LYS A 22 11.562 -11.442 -32.085 1.00 43.32 N ATOM 0 H LYS A 22 12.256 -12.225 -25.622 1.00 52.31 H new ATOM 0 HA LYS A 22 13.402 -10.548 -27.779 1.00 62.53 H new ATOM 0 HB2 LYS A 22 10.600 -11.426 -27.077 1.00 54.15 H new ATOM 0 HB3 LYS A 22 10.842 -9.900 -27.904 1.00 54.15 H new ATOM 0 HG2 LYS A 22 12.322 -11.383 -29.543 1.00 34.11 H new ATOM 0 HG3 LYS A 22 11.361 -12.694 -28.885 1.00 34.11 H new ATOM 0 HD2 LYS A 22 9.279 -11.528 -29.531 1.00 43.34 H new ATOM 0 HD3 LYS A 22 10.204 -10.161 -30.121 1.00 43.34 H new ATOM 0 HE2 LYS A 22 10.428 -12.999 -31.206 1.00 15.42 H new ATOM 0 HE3 LYS A 22 9.469 -11.728 -31.937 1.00 15.42 H new ATOM 0 HZ1 LYS A 22 11.496 -11.737 -33.080 1.00 43.32 H new ATOM 0 HZ2 LYS A 22 11.611 -10.404 -32.034 1.00 43.32 H new ATOM 0 HZ3 LYS A 22 12.419 -11.850 -31.659 1.00 43.32 H new ATOM 356 N ILE A 23 13.607 -8.668 -26.181 1.00 64.23 N ATOM 357 CA ILE A 23 13.682 -7.474 -25.349 1.00 51.10 C ATOM 358 C ILE A 23 12.435 -6.611 -25.513 1.00 44.22 C ATOM 359 O ILE A 23 11.981 -6.337 -26.624 1.00 63.55 O ATOM 360 CB ILE A 23 14.925 -6.630 -25.686 1.00 1.42 C ATOM 361 CG1 ILE A 23 16.194 -7.473 -25.547 1.00 22.00 C ATOM 362 CG2 ILE A 23 14.995 -5.406 -24.784 1.00 74.13 C ATOM 363 CD1 ILE A 23 16.384 -8.057 -24.164 1.00 55.34 C ATOM 0 H ILE A 23 14.398 -8.792 -26.813 1.00 64.23 H new ATOM 0 HA ILE A 23 13.753 -7.813 -24.316 1.00 51.10 H new ATOM 0 HB ILE A 23 14.847 -6.292 -26.719 1.00 1.42 H new ATOM 0 HG12 ILE A 23 16.163 -8.285 -26.274 1.00 22.00 H new ATOM 0 HG13 ILE A 23 17.059 -6.857 -25.794 1.00 22.00 H new ATOM 0 HG21 ILE A 23 15.879 -4.820 -25.034 1.00 74.13 H new ATOM 0 HG22 ILE A 23 14.103 -4.797 -24.928 1.00 74.13 H new ATOM 0 HG23 ILE A 23 15.054 -5.724 -23.743 1.00 74.13 H new ATOM 0 HD11 ILE A 23 17.303 -8.642 -24.139 1.00 55.34 H new ATOM 0 HD12 ILE A 23 16.448 -7.250 -23.434 1.00 55.34 H new ATOM 0 HD13 ILE A 23 15.538 -8.700 -23.921 1.00 55.34 H new ATOM 375 N PRO A 24 11.868 -6.169 -24.381 1.00 4.21 N ATOM 376 CA PRO A 24 10.667 -5.329 -24.373 1.00 2.34 C ATOM 377 C PRO A 24 10.938 -3.924 -24.901 1.00 24.24 C ATOM 378 O PRO A 24 12.072 -3.447 -24.868 1.00 63.14 O ATOM 379 CB PRO A 24 10.280 -5.278 -22.893 1.00 31.14 C ATOM 380 CG PRO A 24 11.554 -5.520 -22.159 1.00 72.42 C ATOM 381 CD PRO A 24 12.357 -6.455 -23.021 1.00 53.34 C ATOM 0 HA PRO A 24 9.886 -5.729 -25.019 1.00 2.34 H new ATOM 0 HB2 PRO A 24 9.849 -4.312 -22.630 1.00 31.14 H new ATOM 0 HB3 PRO A 24 9.535 -6.036 -22.652 1.00 31.14 H new ATOM 0 HG2 PRO A 24 12.091 -4.586 -21.991 1.00 72.42 H new ATOM 0 HG3 PRO A 24 11.363 -5.959 -21.180 1.00 72.42 H new ATOM 0 HD2 PRO A 24 13.427 -6.266 -22.931 1.00 53.34 H new ATOM 0 HD3 PRO A 24 12.193 -7.497 -22.746 1.00 53.34 H new ATOM 389 N ALA A 25 9.890 -3.267 -25.386 1.00 3.21 N ATOM 390 CA ALA A 25 10.016 -1.916 -25.919 1.00 13.24 C ATOM 391 C ALA A 25 8.646 -1.310 -26.207 1.00 63.22 C ATOM 392 O ALA A 25 7.880 -1.841 -27.011 1.00 45.20 O ATOM 393 CB ALA A 25 10.868 -1.922 -27.179 1.00 23.33 C ATOM 0 H ALA A 25 8.944 -3.648 -25.421 1.00 3.21 H new ATOM 0 HA ALA A 25 10.507 -1.299 -25.166 1.00 13.24 H new ATOM 0 HB1 ALA A 25 10.953 -0.906 -27.566 1.00 23.33 H new ATOM 0 HB2 ALA A 25 11.861 -2.306 -26.945 1.00 23.33 H new ATOM 0 HB3 ALA A 25 10.401 -2.558 -27.931 1.00 23.33 H new ATOM 399 N GLU A 26 8.345 -0.197 -25.546 1.00 21.13 N ATOM 400 CA GLU A 26 7.067 0.480 -25.733 1.00 44.12 C ATOM 401 C GLU A 26 6.978 1.098 -27.126 1.00 5.24 C ATOM 402 O GLU A 26 7.994 1.442 -27.731 1.00 41.14 O ATOM 403 CB GLU A 26 6.878 1.563 -24.669 1.00 41.43 C ATOM 404 CG GLU A 26 5.458 2.097 -24.590 1.00 52.54 C ATOM 405 CD GLU A 26 5.085 2.559 -23.195 1.00 34.41 C ATOM 406 OE1 GLU A 26 5.081 1.715 -22.273 1.00 51.54 O ATOM 407 OE2 GLU A 26 4.796 3.761 -23.024 1.00 41.31 O ATOM 0 H GLU A 26 8.968 0.255 -24.877 1.00 21.13 H new ATOM 0 HA GLU A 26 6.274 -0.261 -25.632 1.00 44.12 H new ATOM 0 HB2 GLU A 26 7.160 1.158 -23.697 1.00 41.43 H new ATOM 0 HB3 GLU A 26 7.557 2.389 -24.879 1.00 41.43 H new ATOM 0 HG2 GLU A 26 5.347 2.929 -25.286 1.00 52.54 H new ATOM 0 HG3 GLU A 26 4.763 1.320 -24.909 1.00 52.54 H new ATOM 414 N THR A 27 5.756 1.236 -27.629 1.00 14.25 N ATOM 415 CA THR A 27 5.532 1.812 -28.948 1.00 45.45 C ATOM 416 C THR A 27 4.600 3.016 -28.873 1.00 5.24 C ATOM 417 O THR A 27 4.155 3.402 -27.791 1.00 10.20 O ATOM 418 CB THR A 27 4.936 0.776 -29.920 1.00 44.42 C ATOM 419 OG1 THR A 27 4.940 1.297 -31.254 1.00 43.12 O ATOM 420 CG2 THR A 27 3.516 0.411 -29.517 1.00 52.11 C ATOM 0 H THR A 27 4.905 0.956 -27.142 1.00 14.25 H new ATOM 0 HA THR A 27 6.505 2.132 -29.321 1.00 45.45 H new ATOM 0 HB THR A 27 5.551 -0.123 -29.880 1.00 44.42 H new ATOM 0 HG1 THR A 27 4.561 0.632 -31.866 1.00 43.12 H new ATOM 0 HG21 THR A 27 3.116 -0.322 -30.218 1.00 52.11 H new ATOM 0 HG22 THR A 27 3.520 -0.012 -28.512 1.00 52.11 H new ATOM 0 HG23 THR A 27 2.893 1.305 -29.531 1.00 52.11 H new ATOM 428 N LEU A 28 4.308 3.606 -30.026 1.00 63.25 N ATOM 429 CA LEU A 28 3.428 4.767 -30.091 1.00 11.31 C ATOM 430 C LEU A 28 2.059 4.446 -29.500 1.00 12.21 C ATOM 431 O LEU A 28 1.384 5.322 -28.958 1.00 11.21 O ATOM 432 CB LEU A 28 3.274 5.236 -31.539 1.00 32.51 C ATOM 433 CG LEU A 28 2.923 6.711 -31.734 1.00 1.14 C ATOM 434 CD1 LEU A 28 3.308 7.171 -33.131 1.00 1.41 C ATOM 435 CD2 LEU A 28 1.440 6.944 -31.483 1.00 5.43 C ATOM 0 H LEU A 28 4.668 3.299 -30.930 1.00 63.25 H new ATOM 0 HA LEU A 28 3.879 5.567 -29.503 1.00 11.31 H new ATOM 0 HB2 LEU A 28 4.206 5.032 -32.067 1.00 32.51 H new ATOM 0 HB3 LEU A 28 2.500 4.633 -32.014 1.00 32.51 H new ATOM 0 HG LEU A 28 3.490 7.298 -31.012 1.00 1.14 H new ATOM 0 HD11 LEU A 28 3.051 8.223 -33.251 1.00 1.41 H new ATOM 0 HD12 LEU A 28 4.381 7.041 -33.274 1.00 1.41 H new ATOM 0 HD13 LEU A 28 2.769 6.579 -33.871 1.00 1.41 H new ATOM 0 HD21 LEU A 28 1.208 7.999 -31.626 1.00 5.43 H new ATOM 0 HD22 LEU A 28 0.854 6.346 -32.181 1.00 5.43 H new ATOM 0 HD23 LEU A 28 1.194 6.654 -30.462 1.00 5.43 H new ATOM 447 N HIS A 29 1.655 3.184 -29.606 1.00 42.22 N ATOM 448 CA HIS A 29 0.367 2.746 -29.079 1.00 44.45 C ATOM 449 C HIS A 29 0.372 2.757 -27.554 1.00 3.32 C ATOM 450 O HIS A 29 -0.665 2.951 -26.921 1.00 61.52 O ATOM 451 CB HIS A 29 0.034 1.344 -29.590 1.00 53.40 C ATOM 452 CG HIS A 29 -1.437 1.078 -29.692 1.00 43.54 C ATOM 453 ND1 HIS A 29 -2.238 1.642 -30.663 1.00 64.02 N ATOM 454 CD2 HIS A 29 -2.250 0.302 -28.939 1.00 55.14 C ATOM 455 CE1 HIS A 29 -3.481 1.225 -30.502 1.00 3.22 C ATOM 456 NE2 HIS A 29 -3.515 0.411 -29.463 1.00 35.54 N ATOM 0 H HIS A 29 2.201 2.447 -30.052 1.00 42.22 H new ATOM 0 HA HIS A 29 -0.396 3.442 -29.427 1.00 44.45 H new ATOM 0 HB2 HIS A 29 0.489 1.206 -30.571 1.00 53.40 H new ATOM 0 HB3 HIS A 29 0.483 0.607 -28.924 1.00 53.40 H new ATOM 0 HD2 HIS A 29 -1.959 -0.292 -28.085 1.00 55.14 H new ATOM 0 HE1 HIS A 29 -4.325 1.503 -31.116 1.00 3.22 H new ATOM 0 HE2 HIS A 29 -4.346 -0.061 -29.107 1.00 35.54 H new ATOM 464 N GLY A 30 1.548 2.548 -26.969 1.00 31.51 N ATOM 465 CA GLY A 30 1.665 2.535 -25.522 1.00 41.34 C ATOM 466 C GLY A 30 1.494 1.147 -24.939 1.00 31.04 C ATOM 467 O GLY A 30 0.680 0.939 -24.038 1.00 2.33 O ATOM 0 H GLY A 30 2.421 2.388 -27.471 1.00 31.51 H new ATOM 0 HA2 GLY A 30 2.641 2.928 -25.236 1.00 41.34 H new ATOM 0 HA3 GLY A 30 0.915 3.200 -25.094 1.00 41.34 H new ATOM 471 N THR A 31 2.262 0.191 -25.453 1.00 55.33 N ATOM 472 CA THR A 31 2.190 -1.185 -24.979 1.00 75.04 C ATOM 473 C THR A 31 3.535 -1.887 -25.121 1.00 44.45 C ATOM 474 O THR A 31 4.280 -1.637 -26.070 1.00 31.14 O ATOM 475 CB THR A 31 1.121 -1.988 -25.746 1.00 5.13 C ATOM 476 OG1 THR A 31 1.457 -2.046 -27.137 1.00 32.24 O ATOM 477 CG2 THR A 31 -0.253 -1.359 -25.576 1.00 73.12 C ATOM 0 H THR A 31 2.941 0.345 -26.198 1.00 55.33 H new ATOM 0 HA THR A 31 1.916 -1.142 -23.925 1.00 75.04 H new ATOM 0 HB THR A 31 1.093 -2.998 -25.337 1.00 5.13 H new ATOM 0 HG1 THR A 31 0.774 -2.559 -27.617 1.00 32.24 H new ATOM 0 HG21 THR A 31 -0.991 -1.943 -26.126 1.00 73.12 H new ATOM 0 HG22 THR A 31 -0.518 -1.343 -24.519 1.00 73.12 H new ATOM 0 HG23 THR A 31 -0.237 -0.339 -25.961 1.00 73.12 H new ATOM 485 N VAL A 32 3.842 -2.766 -24.173 1.00 61.33 N ATOM 486 CA VAL A 32 5.098 -3.507 -24.195 1.00 10.45 C ATOM 487 C VAL A 32 4.849 -5.010 -24.241 1.00 0.03 C ATOM 488 O VAL A 32 3.921 -5.517 -23.610 1.00 20.24 O ATOM 489 CB VAL A 32 5.964 -3.178 -22.964 1.00 31.33 C ATOM 490 CG1 VAL A 32 5.319 -3.719 -21.697 1.00 73.50 C ATOM 491 CG2 VAL A 32 7.368 -3.736 -23.137 1.00 24.31 C ATOM 0 H VAL A 32 3.238 -2.983 -23.380 1.00 61.33 H new ATOM 0 HA VAL A 32 5.630 -3.203 -25.097 1.00 10.45 H new ATOM 0 HB VAL A 32 6.037 -2.094 -22.872 1.00 31.33 H new ATOM 0 HG11 VAL A 32 5.945 -3.477 -20.838 1.00 73.50 H new ATOM 0 HG12 VAL A 32 4.335 -3.267 -21.568 1.00 73.50 H new ATOM 0 HG13 VAL A 32 5.214 -4.801 -21.776 1.00 73.50 H new ATOM 0 HG21 VAL A 32 7.966 -3.495 -22.258 1.00 24.31 H new ATOM 0 HG22 VAL A 32 7.317 -4.818 -23.255 1.00 24.31 H new ATOM 0 HG23 VAL A 32 7.828 -3.296 -24.022 1.00 24.31 H new ATOM 501 N THR A 33 5.685 -5.720 -24.992 1.00 53.03 N ATOM 502 CA THR A 33 5.555 -7.166 -25.123 1.00 0.32 C ATOM 503 C THR A 33 6.731 -7.884 -24.472 1.00 24.21 C ATOM 504 O THR A 33 7.817 -7.321 -24.335 1.00 3.33 O ATOM 505 CB THR A 33 5.463 -7.590 -26.601 1.00 33.44 C ATOM 506 OG1 THR A 33 6.746 -7.472 -27.225 1.00 72.43 O ATOM 507 CG2 THR A 33 4.449 -6.736 -27.347 1.00 22.01 C ATOM 0 H THR A 33 6.460 -5.317 -25.519 1.00 53.03 H new ATOM 0 HA THR A 33 4.633 -7.448 -24.614 1.00 0.32 H new ATOM 0 HB THR A 33 5.136 -8.629 -26.639 1.00 33.44 H new ATOM 0 HG1 THR A 33 6.679 -7.745 -28.164 1.00 72.43 H new ATOM 0 HG21 THR A 33 4.402 -7.054 -28.389 1.00 22.01 H new ATOM 0 HG22 THR A 33 3.468 -6.852 -26.887 1.00 22.01 H new ATOM 0 HG23 THR A 33 4.750 -5.690 -27.301 1.00 22.01 H new ATOM 515 N VAL A 34 6.509 -9.132 -24.073 1.00 31.54 N ATOM 516 CA VAL A 34 7.552 -9.930 -23.438 1.00 41.44 C ATOM 517 C VAL A 34 7.474 -11.387 -23.879 1.00 30.15 C ATOM 518 O VAL A 34 6.388 -11.955 -23.988 1.00 12.12 O ATOM 519 CB VAL A 34 7.454 -9.863 -21.903 1.00 1.43 C ATOM 520 CG1 VAL A 34 6.104 -10.381 -21.430 1.00 42.35 C ATOM 521 CG2 VAL A 34 8.589 -10.647 -21.262 1.00 43.11 C ATOM 0 H VAL A 34 5.616 -9.613 -24.178 1.00 31.54 H new ATOM 0 HA VAL A 34 8.507 -9.509 -23.752 1.00 41.44 H new ATOM 0 HB VAL A 34 7.544 -8.821 -21.596 1.00 1.43 H new ATOM 0 HG11 VAL A 34 6.054 -10.326 -20.343 1.00 42.35 H new ATOM 0 HG12 VAL A 34 5.309 -9.772 -21.861 1.00 42.35 H new ATOM 0 HG13 VAL A 34 5.980 -11.417 -21.747 1.00 42.35 H new ATOM 0 HG21 VAL A 34 8.504 -10.589 -20.177 1.00 43.11 H new ATOM 0 HG22 VAL A 34 8.533 -11.690 -21.575 1.00 43.11 H new ATOM 0 HG23 VAL A 34 9.544 -10.225 -21.574 1.00 43.11 H new ATOM 531 N GLU A 35 8.634 -11.987 -24.129 1.00 54.13 N ATOM 532 CA GLU A 35 8.696 -13.379 -24.558 1.00 33.33 C ATOM 533 C GLU A 35 9.754 -14.145 -23.768 1.00 54.20 C ATOM 534 O GLU A 35 10.786 -13.590 -23.392 1.00 43.02 O ATOM 535 CB GLU A 35 9.002 -13.462 -26.055 1.00 34.44 C ATOM 536 CG GLU A 35 8.458 -14.717 -26.718 1.00 50.52 C ATOM 537 CD GLU A 35 8.739 -14.757 -28.208 1.00 11.12 C ATOM 538 OE1 GLU A 35 7.768 -14.759 -28.994 1.00 65.10 O ATOM 539 OE2 GLU A 35 9.928 -14.787 -28.587 1.00 41.43 O ATOM 0 H GLU A 35 9.542 -11.531 -24.042 1.00 54.13 H new ATOM 0 HA GLU A 35 7.724 -13.835 -24.368 1.00 33.33 H new ATOM 0 HB2 GLU A 35 8.583 -12.587 -26.552 1.00 34.44 H new ATOM 0 HB3 GLU A 35 10.082 -13.424 -26.199 1.00 34.44 H new ATOM 0 HG2 GLU A 35 8.900 -15.594 -26.245 1.00 50.52 H new ATOM 0 HG3 GLU A 35 7.382 -14.774 -26.553 1.00 50.52 H new ATOM 546 N VAL A 36 9.488 -15.423 -23.519 1.00 60.44 N ATOM 547 CA VAL A 36 10.416 -16.266 -22.775 1.00 21.20 C ATOM 548 C VAL A 36 10.559 -17.636 -23.428 1.00 62.32 C ATOM 549 O VAL A 36 9.954 -17.906 -24.465 1.00 43.25 O ATOM 550 CB VAL A 36 9.960 -16.451 -21.316 1.00 14.35 C ATOM 551 CG1 VAL A 36 10.125 -15.155 -20.536 1.00 54.24 C ATOM 552 CG2 VAL A 36 8.518 -16.933 -21.266 1.00 14.54 C ATOM 0 H VAL A 36 8.637 -15.897 -23.822 1.00 60.44 H new ATOM 0 HA VAL A 36 11.381 -15.759 -22.785 1.00 21.20 H new ATOM 0 HB VAL A 36 10.589 -17.210 -20.850 1.00 14.35 H new ATOM 0 HG11 VAL A 36 9.798 -15.305 -19.507 1.00 54.24 H new ATOM 0 HG12 VAL A 36 11.173 -14.857 -20.543 1.00 54.24 H new ATOM 0 HG13 VAL A 36 9.522 -14.373 -20.998 1.00 54.24 H new ATOM 0 HG21 VAL A 36 8.212 -17.058 -20.227 1.00 14.54 H new ATOM 0 HG22 VAL A 36 7.872 -16.199 -21.748 1.00 14.54 H new ATOM 0 HG23 VAL A 36 8.435 -17.887 -21.786 1.00 14.54 H new ATOM 562 N GLN A 37 11.363 -18.498 -22.813 1.00 41.24 N ATOM 563 CA GLN A 37 11.586 -19.841 -23.336 1.00 14.21 C ATOM 564 C GLN A 37 11.064 -20.896 -22.366 1.00 12.42 C ATOM 565 O GLN A 37 11.576 -21.040 -21.255 1.00 53.53 O ATOM 566 CB GLN A 37 13.075 -20.067 -23.602 1.00 32.34 C ATOM 567 CG GLN A 37 13.969 -19.658 -22.442 1.00 32.40 C ATOM 568 CD GLN A 37 15.443 -19.735 -22.786 1.00 61.05 C ATOM 569 OE1 GLN A 37 16.185 -20.536 -22.217 1.00 74.42 O ATOM 570 NE2 GLN A 37 15.877 -18.900 -23.723 1.00 54.42 N ATOM 0 H GLN A 37 11.870 -18.290 -21.953 1.00 41.24 H new ATOM 0 HA GLN A 37 11.039 -19.934 -24.274 1.00 14.21 H new ATOM 0 HB2 GLN A 37 13.240 -21.122 -23.823 1.00 32.34 H new ATOM 0 HB3 GLN A 37 13.366 -19.506 -24.490 1.00 32.34 H new ATOM 0 HG2 GLN A 37 13.723 -18.640 -22.140 1.00 32.40 H new ATOM 0 HG3 GLN A 37 13.765 -20.302 -21.587 1.00 32.40 H new ATOM 0 HE21 GLN A 37 15.228 -18.252 -24.169 1.00 54.42 H new ATOM 0 HE22 GLN A 37 16.860 -18.907 -23.996 1.00 54.42 H new ATOM 579 N TYR A 38 10.043 -21.631 -22.792 1.00 53.51 N ATOM 580 CA TYR A 38 9.449 -22.670 -21.959 1.00 52.34 C ATOM 581 C TYR A 38 10.009 -24.042 -22.319 1.00 20.41 C ATOM 582 O TYR A 38 9.648 -24.624 -23.341 1.00 71.24 O ATOM 583 CB TYR A 38 7.927 -22.671 -22.116 1.00 42.51 C ATOM 584 CG TYR A 38 7.190 -23.095 -20.866 1.00 50.11 C ATOM 585 CD1 TYR A 38 7.560 -24.241 -20.173 1.00 72.35 C ATOM 586 CD2 TYR A 38 6.123 -22.350 -20.378 1.00 62.42 C ATOM 587 CE1 TYR A 38 6.889 -24.634 -19.031 1.00 52.53 C ATOM 588 CE2 TYR A 38 5.447 -22.734 -19.236 1.00 65.11 C ATOM 589 CZ TYR A 38 5.834 -23.876 -18.566 1.00 72.44 C ATOM 590 OH TYR A 38 5.162 -24.263 -17.429 1.00 42.21 O ATOM 0 H TYR A 38 9.609 -21.527 -23.709 1.00 53.51 H new ATOM 0 HA TYR A 38 9.700 -22.456 -20.920 1.00 52.34 H new ATOM 0 HB2 TYR A 38 7.599 -21.671 -22.400 1.00 42.51 H new ATOM 0 HB3 TYR A 38 7.655 -23.340 -22.933 1.00 42.51 H new ATOM 0 HD1 TYR A 38 8.387 -24.835 -20.533 1.00 72.35 H new ATOM 0 HD2 TYR A 38 5.817 -21.456 -20.900 1.00 62.42 H new ATOM 0 HE1 TYR A 38 7.188 -25.529 -18.506 1.00 52.53 H new ATOM 0 HE2 TYR A 38 4.620 -22.143 -18.870 1.00 65.11 H new ATOM 0 HH TYR A 38 4.447 -23.621 -17.237 1.00 42.21 H new ATOM 600 N ALA A 39 10.894 -24.554 -21.469 1.00 73.14 N ATOM 601 CA ALA A 39 11.501 -25.860 -21.694 1.00 2.04 C ATOM 602 C ALA A 39 11.101 -26.846 -20.602 1.00 31.51 C ATOM 603 O ALA A 39 11.954 -27.419 -19.925 1.00 44.15 O ATOM 604 CB ALA A 39 13.016 -25.733 -21.763 1.00 52.50 C ATOM 0 H ALA A 39 11.206 -24.084 -20.619 1.00 73.14 H new ATOM 0 HA ALA A 39 11.135 -26.244 -22.646 1.00 2.04 H new ATOM 0 HB1 ALA A 39 13.456 -26.716 -21.931 1.00 52.50 H new ATOM 0 HB2 ALA A 39 13.288 -25.068 -22.583 1.00 52.50 H new ATOM 0 HB3 ALA A 39 13.390 -25.324 -20.824 1.00 52.50 H new ATOM 675 N LYS A 46 -0.684 -21.844 -18.633 1.00 5.03 N ATOM 676 CA LYS A 46 -0.438 -20.436 -18.923 1.00 33.23 C ATOM 677 C LYS A 46 0.891 -19.982 -18.329 1.00 65.14 C ATOM 678 O LYS A 46 1.284 -20.423 -17.249 1.00 34.11 O ATOM 679 CB LYS A 46 -1.576 -19.575 -18.370 1.00 52.22 C ATOM 680 CG LYS A 46 -1.685 -19.610 -16.856 1.00 13.24 C ATOM 681 CD LYS A 46 -3.059 -19.161 -16.385 1.00 24.00 C ATOM 682 CE LYS A 46 -4.070 -20.295 -16.454 1.00 64.21 C ATOM 683 NZ LYS A 46 -5.298 -19.992 -15.669 1.00 51.21 N ATOM 0 HA LYS A 46 -0.392 -20.316 -20.005 1.00 33.23 H new ATOM 0 HB2 LYS A 46 -1.429 -18.544 -18.691 1.00 52.22 H new ATOM 0 HB3 LYS A 46 -2.518 -19.912 -18.802 1.00 52.22 H new ATOM 0 HG2 LYS A 46 -1.490 -20.621 -16.500 1.00 13.24 H new ATOM 0 HG3 LYS A 46 -0.921 -18.966 -16.420 1.00 13.24 H new ATOM 0 HD2 LYS A 46 -2.992 -18.794 -15.361 1.00 24.00 H new ATOM 0 HD3 LYS A 46 -3.402 -18.329 -17.000 1.00 24.00 H new ATOM 0 HE2 LYS A 46 -4.340 -20.478 -17.494 1.00 64.21 H new ATOM 0 HE3 LYS A 46 -3.615 -21.211 -16.077 1.00 64.21 H new ATOM 0 HZ1 LYS A 46 -5.962 -20.789 -15.741 1.00 51.21 H new ATOM 0 HZ2 LYS A 46 -5.044 -19.842 -14.672 1.00 51.21 H new ATOM 0 HZ3 LYS A 46 -5.747 -19.132 -16.045 1.00 51.21 H new ATOM 697 N VAL A 47 1.581 -19.097 -19.042 1.00 51.22 N ATOM 698 CA VAL A 47 2.865 -18.580 -18.584 1.00 61.22 C ATOM 699 C VAL A 47 2.682 -17.327 -17.736 1.00 1.05 C ATOM 700 O VAL A 47 1.943 -16.409 -18.091 1.00 41.31 O ATOM 701 CB VAL A 47 3.793 -18.254 -19.769 1.00 5.50 C ATOM 702 CG1 VAL A 47 5.133 -17.734 -19.270 1.00 42.23 C ATOM 703 CG2 VAL A 47 3.982 -19.479 -20.651 1.00 3.42 C ATOM 0 H VAL A 47 1.272 -18.723 -19.939 1.00 51.22 H new ATOM 0 HA VAL A 47 3.323 -19.361 -17.978 1.00 61.22 H new ATOM 0 HB VAL A 47 3.327 -17.472 -20.369 1.00 5.50 H new ATOM 0 HG11 VAL A 47 5.776 -17.509 -20.121 1.00 42.23 H new ATOM 0 HG12 VAL A 47 4.976 -16.828 -18.684 1.00 42.23 H new ATOM 0 HG13 VAL A 47 5.608 -18.492 -18.647 1.00 42.23 H new ATOM 0 HG21 VAL A 47 4.640 -19.230 -21.483 1.00 3.42 H new ATOM 0 HG22 VAL A 47 4.426 -20.284 -20.065 1.00 3.42 H new ATOM 0 HG23 VAL A 47 3.015 -19.802 -21.037 1.00 3.42 H new ATOM 713 N PRO A 48 3.371 -17.285 -16.585 1.00 62.45 N ATOM 714 CA PRO A 48 3.301 -16.150 -15.661 1.00 44.55 C ATOM 715 C PRO A 48 3.975 -14.903 -16.224 1.00 1.50 C ATOM 716 O PRO A 48 5.025 -14.986 -16.861 1.00 33.41 O ATOM 717 CB PRO A 48 4.052 -16.651 -14.425 1.00 70.33 C ATOM 718 CG PRO A 48 4.982 -17.694 -14.944 1.00 14.43 C ATOM 719 CD PRO A 48 4.272 -18.344 -16.099 1.00 12.11 C ATOM 0 HA PRO A 48 2.272 -15.852 -15.459 1.00 44.55 H new ATOM 0 HB2 PRO A 48 4.596 -15.842 -13.938 1.00 70.33 H new ATOM 0 HB3 PRO A 48 3.366 -17.065 -13.686 1.00 70.33 H new ATOM 0 HG2 PRO A 48 5.925 -17.251 -15.265 1.00 14.43 H new ATOM 0 HG3 PRO A 48 5.220 -18.425 -14.171 1.00 14.43 H new ATOM 0 HD2 PRO A 48 4.971 -18.663 -16.872 1.00 12.11 H new ATOM 0 HD3 PRO A 48 3.719 -19.229 -15.784 1.00 12.11 H new ATOM 727 N ALA A 49 3.365 -13.747 -15.984 1.00 12.41 N ATOM 728 CA ALA A 49 3.908 -12.482 -16.463 1.00 41.15 C ATOM 729 C ALA A 49 3.388 -11.312 -15.636 1.00 13.34 C ATOM 730 O ALA A 49 2.179 -11.105 -15.529 1.00 43.42 O ATOM 731 CB ALA A 49 3.567 -12.284 -17.933 1.00 72.30 C ATOM 0 H ALA A 49 2.494 -13.661 -15.460 1.00 12.41 H new ATOM 0 HA ALA A 49 4.992 -12.516 -16.354 1.00 41.15 H new ATOM 0 HB1 ALA A 49 3.979 -11.335 -18.277 1.00 72.30 H new ATOM 0 HB2 ALA A 49 3.994 -13.099 -18.518 1.00 72.30 H new ATOM 0 HB3 ALA A 49 2.484 -12.276 -18.057 1.00 72.30 H new ATOM 737 N GLN A 50 4.308 -10.551 -15.051 1.00 74.02 N ATOM 738 CA GLN A 50 3.940 -9.403 -14.231 1.00 41.32 C ATOM 739 C GLN A 50 5.177 -8.615 -13.812 1.00 52.22 C ATOM 740 O GLN A 50 6.304 -9.084 -13.964 1.00 43.12 O ATOM 741 CB GLN A 50 3.168 -9.860 -12.992 1.00 63.23 C ATOM 742 CG GLN A 50 3.936 -10.847 -12.127 1.00 51.22 C ATOM 743 CD GLN A 50 4.943 -10.167 -11.220 1.00 34.30 C ATOM 744 OE1 GLN A 50 6.125 -10.069 -11.549 1.00 22.41 O ATOM 745 NE2 GLN A 50 4.478 -9.693 -10.070 1.00 50.00 N ATOM 0 H GLN A 50 5.313 -10.709 -15.130 1.00 74.02 H new ATOM 0 HA GLN A 50 3.301 -8.752 -14.828 1.00 41.32 H new ATOM 0 HB2 GLN A 50 2.911 -8.987 -12.392 1.00 63.23 H new ATOM 0 HB3 GLN A 50 2.230 -10.318 -13.307 1.00 63.23 H new ATOM 0 HG2 GLN A 50 3.232 -11.417 -11.520 1.00 51.22 H new ATOM 0 HG3 GLN A 50 4.454 -11.560 -12.768 1.00 51.22 H new ATOM 0 HE21 GLN A 50 3.490 -9.796 -9.838 1.00 50.00 H new ATOM 0 HE22 GLN A 50 5.109 -9.225 -9.419 1.00 50.00 H new ATOM 754 N MET A 51 4.957 -7.415 -13.285 1.00 3.14 N ATOM 755 CA MET A 51 6.055 -6.562 -12.844 1.00 11.21 C ATOM 756 C MET A 51 6.053 -6.414 -11.326 1.00 31.13 C ATOM 757 O MET A 51 5.195 -6.970 -10.640 1.00 2.50 O ATOM 758 CB MET A 51 5.954 -5.184 -13.502 1.00 64.41 C ATOM 759 CG MET A 51 6.615 -5.115 -14.869 1.00 42.43 C ATOM 760 SD MET A 51 6.106 -3.666 -15.814 1.00 14.32 S ATOM 761 CE MET A 51 5.855 -4.388 -17.433 1.00 75.43 C ATOM 0 H MET A 51 4.030 -7.011 -13.153 1.00 3.14 H new ATOM 0 HA MET A 51 6.991 -7.033 -13.144 1.00 11.21 H new ATOM 0 HB2 MET A 51 4.903 -4.914 -13.601 1.00 64.41 H new ATOM 0 HB3 MET A 51 6.413 -4.443 -12.847 1.00 64.41 H new ATOM 0 HG2 MET A 51 7.698 -5.101 -14.744 1.00 42.43 H new ATOM 0 HG3 MET A 51 6.371 -6.016 -15.432 1.00 42.43 H new ATOM 0 HE1 MET A 51 6.592 -3.987 -18.129 1.00 75.43 H new ATOM 0 HE2 MET A 51 5.967 -5.470 -17.370 1.00 75.43 H new ATOM 0 HE3 MET A 51 4.853 -4.147 -17.787 1.00 75.43 H new ATOM 771 N ALA A 52 7.019 -5.662 -10.808 1.00 34.45 N ATOM 772 CA ALA A 52 7.126 -5.440 -9.371 1.00 21.31 C ATOM 773 C ALA A 52 8.111 -4.318 -9.061 1.00 65.51 C ATOM 774 O ALA A 52 9.295 -4.409 -9.389 1.00 75.44 O ATOM 775 CB ALA A 52 7.546 -6.723 -8.668 1.00 53.04 C ATOM 0 H ALA A 52 7.738 -5.197 -11.362 1.00 34.45 H new ATOM 0 HA ALA A 52 6.146 -5.140 -9.001 1.00 21.31 H new ATOM 0 HB1 ALA A 52 7.622 -6.542 -7.596 1.00 53.04 H new ATOM 0 HB2 ALA A 52 6.804 -7.499 -8.854 1.00 53.04 H new ATOM 0 HB3 ALA A 52 8.514 -7.048 -9.051 1.00 53.04 H new ATOM 781 N VAL A 53 7.616 -3.260 -8.427 1.00 62.15 N ATOM 782 CA VAL A 53 8.454 -2.121 -8.071 1.00 31.31 C ATOM 783 C VAL A 53 9.355 -2.451 -6.886 1.00 34.40 C ATOM 784 O VAL A 53 10.505 -2.017 -6.828 1.00 22.23 O ATOM 785 CB VAL A 53 7.603 -0.885 -7.726 1.00 51.30 C ATOM 786 CG1 VAL A 53 8.494 0.317 -7.452 1.00 11.22 C ATOM 787 CG2 VAL A 53 6.620 -0.585 -8.848 1.00 20.22 C ATOM 0 H VAL A 53 6.639 -3.168 -8.149 1.00 62.15 H new ATOM 0 HA VAL A 53 9.071 -1.897 -8.941 1.00 31.31 H new ATOM 0 HB VAL A 53 7.033 -1.099 -6.822 1.00 51.30 H new ATOM 0 HG11 VAL A 53 7.875 1.181 -7.210 1.00 11.22 H new ATOM 0 HG12 VAL A 53 9.154 0.097 -6.613 1.00 11.22 H new ATOM 0 HG13 VAL A 53 9.092 0.536 -8.337 1.00 11.22 H new ATOM 0 HG21 VAL A 53 6.027 0.292 -8.587 1.00 20.22 H new ATOM 0 HG22 VAL A 53 7.168 -0.391 -9.770 1.00 20.22 H new ATOM 0 HG23 VAL A 53 5.960 -1.440 -8.992 1.00 20.22 H new ATOM 797 N ASP A 54 8.824 -3.222 -5.943 1.00 72.33 N ATOM 798 CA ASP A 54 9.581 -3.614 -4.760 1.00 14.22 C ATOM 799 C ASP A 54 9.933 -5.097 -4.806 1.00 71.42 C ATOM 800 O ASP A 54 9.273 -5.881 -5.489 1.00 3.34 O ATOM 801 CB ASP A 54 8.782 -3.306 -3.492 1.00 53.15 C ATOM 802 CG ASP A 54 8.721 -1.821 -3.193 1.00 31.02 C ATOM 803 OD1 ASP A 54 9.687 -1.295 -2.602 1.00 3.40 O ATOM 804 OD2 ASP A 54 7.707 -1.185 -3.550 1.00 24.21 O ATOM 0 H ASP A 54 7.872 -3.588 -5.975 1.00 72.33 H new ATOM 0 HA ASP A 54 10.507 -3.040 -4.745 1.00 14.22 H new ATOM 0 HB2 ASP A 54 7.769 -3.694 -3.601 1.00 53.15 H new ATOM 0 HB3 ASP A 54 9.233 -3.826 -2.647 1.00 53.15 H new ATOM 809 N MET A 55 10.977 -5.475 -4.077 1.00 23.45 N ATOM 810 CA MET A 55 11.417 -6.865 -4.035 1.00 21.21 C ATOM 811 C MET A 55 10.957 -7.543 -2.748 1.00 0.30 C ATOM 812 O MET A 55 10.614 -8.725 -2.747 1.00 44.33 O ATOM 813 CB MET A 55 12.941 -6.944 -4.150 1.00 74.11 C ATOM 814 CG MET A 55 13.672 -6.296 -2.986 1.00 24.31 C ATOM 815 SD MET A 55 15.421 -6.023 -3.330 1.00 61.51 S ATOM 816 CE MET A 55 16.014 -5.542 -1.710 1.00 20.10 C ATOM 0 H MET A 55 11.534 -4.839 -3.507 1.00 23.45 H new ATOM 0 HA MET A 55 10.968 -7.387 -4.880 1.00 21.21 H new ATOM 0 HB2 MET A 55 13.238 -7.990 -4.218 1.00 74.11 H new ATOM 0 HB3 MET A 55 13.253 -6.463 -5.077 1.00 74.11 H new ATOM 0 HG2 MET A 55 13.199 -5.343 -2.750 1.00 24.31 H new ATOM 0 HG3 MET A 55 13.574 -6.928 -2.103 1.00 24.31 H new ATOM 0 HE1 MET A 55 17.084 -5.339 -1.760 1.00 20.10 H new ATOM 0 HE2 MET A 55 15.489 -4.645 -1.382 1.00 20.10 H new ATOM 0 HE3 MET A 55 15.830 -6.349 -1.001 1.00 20.10 H new ATOM 826 N GLN A 56 10.953 -6.786 -1.655 1.00 74.22 N ATOM 827 CA GLN A 56 10.535 -7.315 -0.362 1.00 71.32 C ATOM 828 C GLN A 56 9.047 -7.650 -0.366 1.00 60.51 C ATOM 829 O GLN A 56 8.629 -8.676 0.173 1.00 13.41 O ATOM 830 CB GLN A 56 10.840 -6.308 0.747 1.00 12.45 C ATOM 831 CG GLN A 56 10.367 -6.754 2.122 1.00 62.14 C ATOM 832 CD GLN A 56 10.963 -5.924 3.242 1.00 75.13 C ATOM 833 OE1 GLN A 56 10.728 -4.718 3.329 1.00 61.43 O ATOM 834 NE2 GLN A 56 11.738 -6.567 4.107 1.00 0.32 N ATOM 0 H GLN A 56 11.234 -5.806 -1.639 1.00 74.22 H new ATOM 0 HA GLN A 56 11.094 -8.232 -0.175 1.00 71.32 H new ATOM 0 HB2 GLN A 56 11.915 -6.133 0.781 1.00 12.45 H new ATOM 0 HB3 GLN A 56 10.369 -5.356 0.501 1.00 12.45 H new ATOM 0 HG2 GLN A 56 9.280 -6.690 2.166 1.00 62.14 H new ATOM 0 HG3 GLN A 56 10.631 -7.801 2.271 1.00 62.14 H new ATOM 0 HE21 GLN A 56 11.905 -7.567 3.996 1.00 0.32 H new ATOM 0 HE22 GLN A 56 12.166 -6.061 4.882 1.00 0.32 H new ATOM 843 N THR A 57 8.251 -6.779 -0.978 1.00 34.14 N ATOM 844 CA THR A 57 6.809 -6.981 -1.050 1.00 21.05 C ATOM 845 C THR A 57 6.407 -7.602 -2.382 1.00 54.55 C ATOM 846 O THR A 57 5.583 -8.516 -2.430 1.00 33.02 O ATOM 847 CB THR A 57 6.046 -5.656 -0.862 1.00 22.12 C ATOM 848 OG1 THR A 57 6.782 -4.579 -1.452 1.00 62.02 O ATOM 849 CG2 THR A 57 5.814 -5.370 0.614 1.00 4.51 C ATOM 0 H THR A 57 8.581 -5.927 -1.431 1.00 34.14 H new ATOM 0 HA THR A 57 6.544 -7.662 -0.241 1.00 21.05 H new ATOM 0 HB THR A 57 5.078 -5.747 -1.355 1.00 22.12 H new ATOM 0 HG1 THR A 57 6.290 -3.741 -1.330 1.00 62.02 H new ATOM 0 HG21 THR A 57 5.274 -4.430 0.722 1.00 4.51 H new ATOM 0 HG22 THR A 57 5.228 -6.177 1.053 1.00 4.51 H new ATOM 0 HG23 THR A 57 6.774 -5.298 1.126 1.00 4.51 H new ATOM 857 N LEU A 58 6.993 -7.100 -3.464 1.00 14.00 N ATOM 858 CA LEU A 58 6.694 -7.605 -4.800 1.00 0.13 C ATOM 859 C LEU A 58 5.199 -7.525 -5.090 1.00 52.24 C ATOM 860 O LEU A 58 4.573 -8.518 -5.461 1.00 73.43 O ATOM 861 CB LEU A 58 7.176 -9.050 -4.940 1.00 34.05 C ATOM 862 CG LEU A 58 8.678 -9.239 -5.154 1.00 73.11 C ATOM 863 CD1 LEU A 58 9.128 -10.589 -4.617 1.00 1.44 C ATOM 864 CD2 LEU A 58 9.026 -9.107 -6.630 1.00 25.35 C ATOM 0 H LEU A 58 7.678 -6.344 -3.442 1.00 14.00 H new ATOM 0 HA LEU A 58 7.219 -6.982 -5.524 1.00 0.13 H new ATOM 0 HB2 LEU A 58 6.885 -9.597 -4.043 1.00 34.05 H new ATOM 0 HB3 LEU A 58 6.650 -9.508 -5.777 1.00 34.05 H new ATOM 0 HG LEU A 58 9.205 -8.459 -4.605 1.00 73.11 H new ATOM 0 HD11 LEU A 58 10.200 -10.706 -4.778 1.00 1.44 H new ATOM 0 HD12 LEU A 58 8.913 -10.646 -3.550 1.00 1.44 H new ATOM 0 HD13 LEU A 58 8.594 -11.384 -5.138 1.00 1.44 H new ATOM 0 HD21 LEU A 58 10.099 -9.244 -6.765 1.00 25.35 H new ATOM 0 HD22 LEU A 58 8.489 -9.865 -7.200 1.00 25.35 H new ATOM 0 HD23 LEU A 58 8.740 -8.117 -6.984 1.00 25.35 H new ATOM 876 N THR A 59 4.631 -6.335 -4.922 1.00 1.54 N ATOM 877 CA THR A 59 3.210 -6.124 -5.166 1.00 32.01 C ATOM 878 C THR A 59 2.898 -6.152 -6.658 1.00 4.32 C ATOM 879 O THR A 59 3.740 -5.833 -7.498 1.00 71.12 O ATOM 880 CB THR A 59 2.731 -4.783 -4.578 1.00 23.11 C ATOM 881 OG1 THR A 59 3.783 -3.814 -4.650 1.00 12.33 O ATOM 882 CG2 THR A 59 2.289 -4.953 -3.132 1.00 62.13 C ATOM 0 H THR A 59 5.134 -5.502 -4.618 1.00 1.54 H new ATOM 0 HA THR A 59 2.681 -6.938 -4.671 1.00 32.01 H new ATOM 0 HB THR A 59 1.879 -4.438 -5.163 1.00 23.11 H new ATOM 0 HG1 THR A 59 3.471 -2.964 -4.276 1.00 12.33 H new ATOM 0 HG21 THR A 59 1.955 -3.993 -2.738 1.00 62.13 H new ATOM 0 HG22 THR A 59 1.469 -5.670 -3.084 1.00 62.13 H new ATOM 0 HG23 THR A 59 3.126 -5.318 -2.536 1.00 62.13 H new ATOM 890 N PRO A 60 1.661 -6.541 -6.998 1.00 14.24 N ATOM 891 CA PRO A 60 1.210 -6.618 -8.390 1.00 75.52 C ATOM 892 C PRO A 60 1.058 -5.242 -9.028 1.00 54.30 C ATOM 893 O PRO A 60 0.241 -4.431 -8.591 1.00 40.31 O ATOM 894 CB PRO A 60 -0.151 -7.312 -8.284 1.00 51.23 C ATOM 895 CG PRO A 60 -0.627 -7.004 -6.907 1.00 0.54 C ATOM 896 CD PRO A 60 0.606 -6.934 -6.048 1.00 72.34 C ATOM 0 HA PRO A 60 1.925 -7.146 -9.021 1.00 75.52 H new ATOM 0 HB2 PRO A 60 -0.846 -6.938 -9.036 1.00 51.23 H new ATOM 0 HB3 PRO A 60 -0.061 -8.387 -8.440 1.00 51.23 H new ATOM 0 HG2 PRO A 60 -1.172 -6.060 -6.885 1.00 0.54 H new ATOM 0 HG3 PRO A 60 -1.309 -7.775 -6.548 1.00 0.54 H new ATOM 0 HD2 PRO A 60 0.496 -6.205 -5.245 1.00 72.34 H new ATOM 0 HD3 PRO A 60 0.824 -7.894 -5.579 1.00 72.34 H new ATOM 904 N VAL A 61 1.849 -4.984 -10.064 1.00 60.15 N ATOM 905 CA VAL A 61 1.801 -3.706 -10.764 1.00 3.54 C ATOM 906 C VAL A 61 1.502 -3.900 -12.246 1.00 23.42 C ATOM 907 O VAL A 61 1.957 -4.864 -12.860 1.00 61.41 O ATOM 908 CB VAL A 61 3.127 -2.935 -10.616 1.00 32.14 C ATOM 909 CG1 VAL A 61 4.287 -3.761 -11.149 1.00 23.33 C ATOM 910 CG2 VAL A 61 3.045 -1.593 -11.328 1.00 21.51 C ATOM 0 H VAL A 61 2.531 -5.644 -10.438 1.00 60.15 H new ATOM 0 HA VAL A 61 0.998 -3.126 -10.308 1.00 3.54 H new ATOM 0 HB VAL A 61 3.302 -2.748 -9.557 1.00 32.14 H new ATOM 0 HG11 VAL A 61 5.215 -3.200 -11.036 1.00 23.33 H new ATOM 0 HG12 VAL A 61 4.356 -4.694 -10.590 1.00 23.33 H new ATOM 0 HG13 VAL A 61 4.122 -3.981 -12.204 1.00 23.33 H new ATOM 0 HG21 VAL A 61 3.990 -1.062 -11.213 1.00 21.51 H new ATOM 0 HG22 VAL A 61 2.846 -1.755 -12.387 1.00 21.51 H new ATOM 0 HG23 VAL A 61 2.240 -1.000 -10.894 1.00 21.51 H new ATOM 920 N GLY A 62 0.734 -2.977 -12.815 1.00 54.04 N ATOM 921 CA GLY A 62 0.387 -3.065 -14.222 1.00 11.02 C ATOM 922 C GLY A 62 -0.878 -3.866 -14.458 1.00 51.11 C ATOM 923 O GLY A 62 -1.494 -4.360 -13.513 1.00 65.02 O ATOM 0 H GLY A 62 0.346 -2.170 -12.327 1.00 54.04 H new ATOM 0 HA2 GLY A 62 0.258 -2.060 -14.625 1.00 11.02 H new ATOM 0 HA3 GLY A 62 1.211 -3.524 -14.768 1.00 11.02 H new ATOM 927 N ARG A 63 -1.268 -3.994 -15.722 1.00 54.51 N ATOM 928 CA ARG A 63 -2.470 -4.738 -16.079 1.00 51.32 C ATOM 929 C ARG A 63 -2.258 -5.528 -17.367 1.00 42.54 C ATOM 930 O ARG A 63 -1.650 -5.033 -18.318 1.00 73.53 O ATOM 931 CB ARG A 63 -3.656 -3.785 -16.242 1.00 31.20 C ATOM 932 CG ARG A 63 -3.417 -2.683 -17.261 1.00 61.44 C ATOM 933 CD ARG A 63 -4.702 -1.939 -17.589 1.00 61.32 C ATOM 934 NE ARG A 63 -5.091 -1.023 -16.521 1.00 53.31 N ATOM 935 CZ ARG A 63 -6.227 -0.334 -16.522 1.00 0.53 C ATOM 936 NH1 ARG A 63 -7.081 -0.457 -17.529 1.00 4.03 N ATOM 937 NH2 ARG A 63 -6.511 0.481 -15.513 1.00 62.13 N ATOM 0 H ARG A 63 -0.769 -3.592 -16.516 1.00 54.51 H new ATOM 0 HA ARG A 63 -2.685 -5.440 -15.274 1.00 51.32 H new ATOM 0 HB2 ARG A 63 -4.534 -4.359 -16.539 1.00 31.20 H new ATOM 0 HB3 ARG A 63 -3.883 -3.332 -15.277 1.00 31.20 H new ATOM 0 HG2 ARG A 63 -2.678 -1.982 -16.873 1.00 61.44 H new ATOM 0 HG3 ARG A 63 -3.001 -3.113 -18.172 1.00 61.44 H new ATOM 0 HD2 ARG A 63 -4.571 -1.381 -18.516 1.00 61.32 H new ATOM 0 HD3 ARG A 63 -5.503 -2.658 -17.760 1.00 61.32 H new ATOM 0 HE ARG A 63 -4.456 -0.906 -15.731 1.00 53.31 H new ATOM 0 HH11 ARG A 63 -6.867 -1.082 -18.306 1.00 4.03 H new ATOM 0 HH12 ARG A 63 -7.952 0.073 -17.527 1.00 4.03 H new ATOM 0 HH21 ARG A 63 -5.857 0.578 -14.736 1.00 62.13 H new ATOM 0 HH22 ARG A 63 -7.383 1.010 -15.514 1.00 62.13 H new ATOM 951 N LEU A 64 -2.761 -6.757 -17.391 1.00 53.54 N ATOM 952 CA LEU A 64 -2.627 -7.616 -18.563 1.00 1.23 C ATOM 953 C LEU A 64 -3.598 -7.195 -19.661 1.00 43.32 C ATOM 954 O LEU A 64 -4.644 -6.607 -19.386 1.00 51.33 O ATOM 955 CB LEU A 64 -2.874 -9.076 -18.180 1.00 14.14 C ATOM 956 CG LEU A 64 -2.029 -9.620 -17.028 1.00 24.30 C ATOM 957 CD1 LEU A 64 -2.486 -11.019 -16.645 1.00 23.30 C ATOM 958 CD2 LEU A 64 -0.554 -9.623 -17.404 1.00 71.21 C ATOM 0 H LEU A 64 -3.265 -7.181 -16.613 1.00 53.54 H new ATOM 0 HA LEU A 64 -1.611 -7.513 -18.944 1.00 1.23 H new ATOM 0 HB2 LEU A 64 -3.926 -9.189 -17.917 1.00 14.14 H new ATOM 0 HB3 LEU A 64 -2.697 -9.696 -19.059 1.00 14.14 H new ATOM 0 HG LEU A 64 -2.162 -8.968 -16.165 1.00 24.30 H new ATOM 0 HD11 LEU A 64 -1.873 -11.390 -15.824 1.00 23.30 H new ATOM 0 HD12 LEU A 64 -3.530 -10.988 -16.334 1.00 23.30 H new ATOM 0 HD13 LEU A 64 -2.383 -11.683 -17.503 1.00 23.30 H new ATOM 0 HD21 LEU A 64 0.033 -10.013 -16.572 1.00 71.21 H new ATOM 0 HD22 LEU A 64 -0.403 -10.252 -18.281 1.00 71.21 H new ATOM 0 HD23 LEU A 64 -0.234 -8.606 -17.628 1.00 71.21 H new ATOM 970 N ILE A 65 -3.245 -7.501 -20.905 1.00 23.30 N ATOM 971 CA ILE A 65 -4.086 -7.157 -22.044 1.00 52.02 C ATOM 972 C ILE A 65 -4.584 -8.409 -22.758 1.00 34.00 C ATOM 973 O ILE A 65 -5.722 -8.459 -23.228 1.00 44.00 O ATOM 974 CB ILE A 65 -3.333 -6.270 -23.053 1.00 63.10 C ATOM 975 CG1 ILE A 65 -2.784 -5.022 -22.358 1.00 72.20 C ATOM 976 CG2 ILE A 65 -4.248 -5.882 -24.205 1.00 32.54 C ATOM 977 CD1 ILE A 65 -3.860 -4.139 -21.766 1.00 4.52 C ATOM 0 H ILE A 65 -2.382 -7.987 -21.149 1.00 23.30 H new ATOM 0 HA ILE A 65 -4.938 -6.603 -21.650 1.00 52.02 H new ATOM 0 HB ILE A 65 -2.494 -6.837 -23.457 1.00 63.10 H new ATOM 0 HG12 ILE A 65 -2.100 -5.328 -21.567 1.00 72.20 H new ATOM 0 HG13 ILE A 65 -2.203 -4.442 -23.075 1.00 72.20 H new ATOM 0 HG21 ILE A 65 -3.701 -5.255 -24.909 1.00 32.54 H new ATOM 0 HG22 ILE A 65 -4.594 -6.782 -24.713 1.00 32.54 H new ATOM 0 HG23 ILE A 65 -5.105 -5.331 -23.819 1.00 32.54 H new ATOM 0 HD11 ILE A 65 -3.399 -3.274 -21.290 1.00 4.52 H new ATOM 0 HD12 ILE A 65 -4.531 -3.803 -22.557 1.00 4.52 H new ATOM 0 HD13 ILE A 65 -4.426 -4.703 -21.025 1.00 4.52 H new ATOM 989 N THR A 66 -3.726 -9.421 -22.835 1.00 22.35 N ATOM 990 CA THR A 66 -4.078 -10.674 -23.491 1.00 23.01 C ATOM 991 C THR A 66 -5.326 -11.289 -22.868 1.00 24.40 C ATOM 992 O THR A 66 -5.840 -10.794 -21.866 1.00 5.41 O ATOM 993 CB THR A 66 -2.924 -11.692 -23.414 1.00 51.21 C ATOM 994 OG1 THR A 66 -3.211 -12.821 -24.247 1.00 45.33 O ATOM 995 CG2 THR A 66 -2.705 -12.155 -21.982 1.00 14.13 C ATOM 0 H THR A 66 -2.781 -9.397 -22.451 1.00 22.35 H new ATOM 0 HA THR A 66 -4.276 -10.439 -24.537 1.00 23.01 H new ATOM 0 HB THR A 66 -2.014 -11.204 -23.764 1.00 51.21 H new ATOM 0 HG1 THR A 66 -2.408 -13.376 -24.334 1.00 45.33 H new ATOM 0 HG21 THR A 66 -1.885 -12.873 -21.953 1.00 14.13 H new ATOM 0 HG22 THR A 66 -2.458 -11.297 -21.356 1.00 14.13 H new ATOM 0 HG23 THR A 66 -3.614 -12.627 -21.609 1.00 14.13 H new ATOM 1003 N ALA A 67 -5.808 -12.373 -23.468 1.00 3.03 N ATOM 1004 CA ALA A 67 -6.994 -13.057 -22.970 1.00 34.42 C ATOM 1005 C ALA A 67 -6.618 -14.185 -22.015 1.00 63.54 C ATOM 1006 O ALA A 67 -7.035 -14.197 -20.858 1.00 71.33 O ATOM 1007 CB ALA A 67 -7.818 -13.598 -24.130 1.00 2.43 C ATOM 0 H ALA A 67 -5.395 -12.796 -24.299 1.00 3.03 H new ATOM 0 HA ALA A 67 -7.594 -12.334 -22.418 1.00 34.42 H new ATOM 0 HB1 ALA A 67 -8.701 -14.107 -23.743 1.00 2.43 H new ATOM 0 HB2 ALA A 67 -8.127 -12.774 -24.773 1.00 2.43 H new ATOM 0 HB3 ALA A 67 -7.217 -14.302 -24.706 1.00 2.43 H new ATOM 1013 N ASN A 68 -5.827 -15.133 -22.509 1.00 3.40 N ATOM 1014 CA ASN A 68 -5.396 -16.267 -21.700 1.00 4.22 C ATOM 1015 C ASN A 68 -4.480 -17.189 -22.499 1.00 51.24 C ATOM 1016 O ASN A 68 -4.867 -18.282 -22.913 1.00 62.11 O ATOM 1017 CB ASN A 68 -6.609 -17.049 -21.193 1.00 11.21 C ATOM 1018 CG ASN A 68 -7.673 -17.220 -22.260 1.00 33.13 C ATOM 1019 OD1 ASN A 68 -8.409 -16.285 -22.574 1.00 14.33 O ATOM 1020 ND2 ASN A 68 -7.759 -18.420 -22.822 1.00 50.13 N ATOM 0 H ASN A 68 -5.472 -15.138 -23.465 1.00 3.40 H new ATOM 0 HA ASN A 68 -4.838 -15.881 -20.847 1.00 4.22 H new ATOM 0 HB2 ASN A 68 -6.286 -18.030 -20.845 1.00 11.21 H new ATOM 0 HB3 ASN A 68 -7.038 -16.532 -20.335 1.00 11.21 H new ATOM 0 HD21 ASN A 68 -8.456 -18.596 -23.545 1.00 50.13 H new ATOM 0 HD22 ASN A 68 -7.128 -19.166 -22.530 1.00 50.13 H new ATOM 1027 N PRO A 69 -3.236 -16.739 -22.722 1.00 72.45 N ATOM 1028 CA PRO A 69 -2.240 -17.508 -23.474 1.00 25.23 C ATOM 1029 C PRO A 69 -1.763 -18.740 -22.712 1.00 30.22 C ATOM 1030 O PRO A 69 -1.505 -18.678 -21.510 1.00 2.22 O ATOM 1031 CB PRO A 69 -1.090 -16.515 -23.657 1.00 5.22 C ATOM 1032 CG PRO A 69 -1.231 -15.558 -22.523 1.00 61.53 C ATOM 1033 CD PRO A 69 -2.707 -15.446 -22.258 1.00 22.20 C ATOM 0 HA PRO A 69 -2.644 -17.892 -24.411 1.00 25.23 H new ATOM 0 HB2 PRO A 69 -0.124 -17.019 -23.632 1.00 5.22 H new ATOM 0 HB3 PRO A 69 -1.158 -16.004 -24.617 1.00 5.22 H new ATOM 0 HG2 PRO A 69 -0.702 -15.918 -21.640 1.00 61.53 H new ATOM 0 HG3 PRO A 69 -0.805 -14.587 -22.776 1.00 61.53 H new ATOM 0 HD2 PRO A 69 -2.914 -15.283 -21.200 1.00 22.20 H new ATOM 0 HD3 PRO A 69 -3.151 -14.612 -22.802 1.00 22.20 H new ATOM 1041 N VAL A 70 -1.648 -19.860 -23.419 1.00 10.10 N ATOM 1042 CA VAL A 70 -1.201 -21.107 -22.809 1.00 43.54 C ATOM 1043 C VAL A 70 -0.358 -21.923 -23.783 1.00 34.10 C ATOM 1044 O VAL A 70 -0.564 -21.867 -24.996 1.00 10.43 O ATOM 1045 CB VAL A 70 -2.393 -21.960 -22.338 1.00 21.20 C ATOM 1046 CG1 VAL A 70 -3.209 -21.210 -21.297 1.00 1.53 C ATOM 1047 CG2 VAL A 70 -3.262 -22.361 -23.521 1.00 4.32 C ATOM 0 H VAL A 70 -1.858 -19.929 -24.415 1.00 10.10 H new ATOM 0 HA VAL A 70 -0.594 -20.838 -21.945 1.00 43.54 H new ATOM 0 HB VAL A 70 -2.006 -22.868 -21.876 1.00 21.20 H new ATOM 0 HG11 VAL A 70 -4.047 -21.829 -20.976 1.00 1.53 H new ATOM 0 HG12 VAL A 70 -2.579 -20.979 -20.438 1.00 1.53 H new ATOM 0 HG13 VAL A 70 -3.587 -20.284 -21.729 1.00 1.53 H new ATOM 0 HG21 VAL A 70 -4.100 -22.963 -23.169 1.00 4.32 H new ATOM 0 HG22 VAL A 70 -3.641 -21.466 -24.014 1.00 4.32 H new ATOM 0 HG23 VAL A 70 -2.669 -22.941 -24.228 1.00 4.32 H new ATOM 1057 N ILE A 71 0.590 -22.682 -23.244 1.00 12.01 N ATOM 1058 CA ILE A 71 1.462 -23.512 -24.065 1.00 71.32 C ATOM 1059 C ILE A 71 0.691 -24.670 -24.689 1.00 75.24 C ATOM 1060 O ILE A 71 0.084 -25.478 -23.986 1.00 33.45 O ATOM 1061 CB ILE A 71 2.638 -24.076 -23.246 1.00 32.02 C ATOM 1062 CG1 ILE A 71 3.326 -22.956 -22.464 1.00 4.41 C ATOM 1063 CG2 ILE A 71 3.631 -24.780 -24.159 1.00 14.40 C ATOM 1064 CD1 ILE A 71 3.959 -21.903 -23.347 1.00 22.00 C ATOM 0 H ILE A 71 0.774 -22.739 -22.242 1.00 12.01 H new ATOM 0 HA ILE A 71 1.854 -22.872 -24.855 1.00 71.32 H new ATOM 0 HB ILE A 71 2.250 -24.805 -22.535 1.00 32.02 H new ATOM 0 HG12 ILE A 71 2.596 -22.479 -21.810 1.00 4.41 H new ATOM 0 HG13 ILE A 71 4.093 -23.390 -21.823 1.00 4.41 H new ATOM 0 HG21 ILE A 71 4.456 -25.173 -23.565 1.00 14.40 H new ATOM 0 HG22 ILE A 71 3.132 -25.600 -24.675 1.00 14.40 H new ATOM 0 HG23 ILE A 71 4.017 -24.072 -24.892 1.00 14.40 H new ATOM 0 HD11 ILE A 71 4.428 -21.141 -22.725 1.00 22.00 H new ATOM 0 HD12 ILE A 71 4.713 -22.367 -23.983 1.00 22.00 H new ATOM 0 HD13 ILE A 71 3.193 -21.442 -23.970 1.00 22.00 H new ATOM 1076 N THR A 72 0.719 -24.746 -26.016 1.00 62.44 N ATOM 1077 CA THR A 72 0.027 -25.808 -26.736 1.00 52.21 C ATOM 1078 C THR A 72 1.005 -26.652 -27.545 1.00 73.02 C ATOM 1079 O THR A 72 0.838 -27.865 -27.666 1.00 24.22 O ATOM 1080 CB THR A 72 -1.046 -25.237 -27.683 1.00 33.34 C ATOM 1081 OG1 THR A 72 -0.547 -24.068 -28.342 1.00 22.25 O ATOM 1082 CG2 THR A 72 -2.314 -24.891 -26.917 1.00 34.22 C ATOM 0 H THR A 72 1.214 -24.084 -26.614 1.00 62.44 H new ATOM 0 HA THR A 72 -0.456 -26.435 -25.987 1.00 52.21 H new ATOM 0 HB THR A 72 -1.285 -25.998 -28.426 1.00 33.34 H new ATOM 0 HG1 THR A 72 -1.235 -23.713 -28.943 1.00 22.25 H new ATOM 0 HG21 THR A 72 -3.057 -24.490 -27.606 1.00 34.22 H new ATOM 0 HG22 THR A 72 -2.708 -25.789 -26.441 1.00 34.22 H new ATOM 0 HG23 THR A 72 -2.087 -24.146 -26.154 1.00 34.22 H new ATOM 1090 N GLU A 73 2.025 -26.002 -28.097 1.00 73.11 N ATOM 1091 CA GLU A 73 3.029 -26.695 -28.896 1.00 13.00 C ATOM 1092 C GLU A 73 3.694 -27.806 -28.089 1.00 4.11 C ATOM 1093 O GLU A 73 4.041 -27.618 -26.923 1.00 32.33 O ATOM 1094 CB GLU A 73 4.086 -25.708 -29.394 1.00 42.25 C ATOM 1095 CG GLU A 73 3.615 -24.844 -30.553 1.00 31.35 C ATOM 1096 CD GLU A 73 4.736 -24.027 -31.165 1.00 70.51 C ATOM 1097 OE1 GLU A 73 5.036 -22.939 -30.632 1.00 13.34 O ATOM 1098 OE2 GLU A 73 5.313 -24.476 -32.177 1.00 62.23 O ATOM 0 H GLU A 73 2.178 -24.998 -28.006 1.00 73.11 H new ATOM 0 HA GLU A 73 2.528 -27.143 -29.754 1.00 13.00 H new ATOM 0 HB2 GLU A 73 4.385 -25.062 -28.569 1.00 42.25 H new ATOM 0 HB3 GLU A 73 4.972 -26.263 -29.702 1.00 42.25 H new ATOM 0 HG2 GLU A 73 3.174 -25.481 -31.320 1.00 31.35 H new ATOM 0 HG3 GLU A 73 2.830 -24.173 -30.205 1.00 31.35 H new ATOM 1105 N SER A 74 3.869 -28.963 -28.719 1.00 25.34 N ATOM 1106 CA SER A 74 4.488 -30.107 -28.058 1.00 40.23 C ATOM 1107 C SER A 74 6.008 -29.975 -28.053 1.00 51.44 C ATOM 1108 O SER A 74 6.670 -30.319 -27.074 1.00 65.11 O ATOM 1109 CB SER A 74 4.080 -31.407 -28.754 1.00 41.34 C ATOM 1110 OG SER A 74 4.587 -31.458 -30.077 1.00 11.22 O ATOM 0 H SER A 74 3.591 -29.134 -29.686 1.00 25.34 H new ATOM 0 HA SER A 74 4.140 -30.131 -27.025 1.00 40.23 H new ATOM 0 HB2 SER A 74 4.452 -32.260 -28.186 1.00 41.34 H new ATOM 0 HB3 SER A 74 2.993 -31.487 -28.774 1.00 41.34 H new ATOM 0 HG SER A 74 4.314 -32.299 -30.500 1.00 11.22 H new ATOM 1116 N THR A 75 6.556 -29.473 -29.156 1.00 14.40 N ATOM 1117 CA THR A 75 7.997 -29.295 -29.281 1.00 13.12 C ATOM 1118 C THR A 75 8.557 -28.501 -28.106 1.00 54.22 C ATOM 1119 O THR A 75 7.927 -27.558 -27.627 1.00 22.53 O ATOM 1120 CB THR A 75 8.362 -28.576 -30.593 1.00 5.41 C ATOM 1121 OG1 THR A 75 9.746 -28.206 -30.580 1.00 12.34 O ATOM 1122 CG2 THR A 75 7.503 -27.336 -30.788 1.00 53.03 C ATOM 0 H THR A 75 6.023 -29.183 -29.976 1.00 14.40 H new ATOM 0 HA THR A 75 8.440 -30.291 -29.286 1.00 13.12 H new ATOM 0 HB THR A 75 8.177 -29.261 -31.420 1.00 5.41 H new ATOM 0 HG1 THR A 75 9.971 -27.751 -31.418 1.00 12.34 H new ATOM 0 HG21 THR A 75 7.779 -26.845 -31.721 1.00 53.03 H new ATOM 0 HG22 THR A 75 6.452 -27.624 -30.826 1.00 53.03 H new ATOM 0 HG23 THR A 75 7.661 -26.649 -29.956 1.00 53.03 H new ATOM 1130 N GLU A 76 9.743 -28.888 -27.648 1.00 41.40 N ATOM 1131 CA GLU A 76 10.387 -28.210 -26.529 1.00 1.10 C ATOM 1132 C GLU A 76 10.705 -26.760 -26.882 1.00 4.35 C ATOM 1133 O GLU A 76 10.545 -26.339 -28.026 1.00 51.32 O ATOM 1134 CB GLU A 76 11.670 -28.943 -26.130 1.00 13.40 C ATOM 1135 CG GLU A 76 12.811 -28.752 -27.115 1.00 31.30 C ATOM 1136 CD GLU A 76 13.886 -29.812 -26.974 1.00 4.15 C ATOM 1137 OE1 GLU A 76 14.930 -29.518 -26.354 1.00 44.45 O ATOM 1138 OE2 GLU A 76 13.685 -30.934 -27.482 1.00 35.54 O ATOM 0 H GLU A 76 10.277 -29.667 -28.034 1.00 41.40 H new ATOM 0 HA GLU A 76 9.696 -28.217 -25.686 1.00 1.10 H new ATOM 0 HB2 GLU A 76 11.987 -28.594 -25.147 1.00 13.40 H new ATOM 0 HB3 GLU A 76 11.456 -30.008 -26.037 1.00 13.40 H new ATOM 0 HG2 GLU A 76 12.416 -28.773 -28.131 1.00 31.30 H new ATOM 0 HG3 GLU A 76 13.255 -27.768 -26.965 1.00 31.30 H new ATOM 1145 N ASN A 77 11.157 -26.001 -25.888 1.00 50.22 N ATOM 1146 CA ASN A 77 11.498 -24.598 -26.092 1.00 54.44 C ATOM 1147 C ASN A 77 10.312 -23.828 -26.665 1.00 55.41 C ATOM 1148 O ASN A 77 10.451 -23.085 -27.636 1.00 43.55 O ATOM 1149 CB ASN A 77 12.701 -24.474 -27.030 1.00 34.41 C ATOM 1150 CG ASN A 77 13.491 -23.202 -26.792 1.00 22.41 C ATOM 1151 OD1 ASN A 77 12.925 -22.158 -26.470 1.00 2.41 O ATOM 1152 ND2 ASN A 77 14.807 -23.285 -26.950 1.00 60.51 N ATOM 0 H ASN A 77 11.295 -26.334 -24.934 1.00 50.22 H new ATOM 0 HA ASN A 77 11.755 -24.168 -25.124 1.00 54.44 H new ATOM 0 HB2 ASN A 77 13.355 -25.335 -26.894 1.00 34.41 H new ATOM 0 HB3 ASN A 77 12.356 -24.496 -28.064 1.00 34.41 H new ATOM 0 HD21 ASN A 77 15.391 -22.462 -26.803 1.00 60.51 H new ATOM 0 HD22 ASN A 77 15.234 -24.172 -27.218 1.00 60.51 H new ATOM 1159 N SER A 78 9.144 -24.011 -26.056 1.00 4.41 N ATOM 1160 CA SER A 78 7.933 -23.336 -26.507 1.00 32.02 C ATOM 1161 C SER A 78 7.930 -21.875 -26.069 1.00 12.52 C ATOM 1162 O SER A 78 8.003 -21.570 -24.878 1.00 62.40 O ATOM 1163 CB SER A 78 6.694 -24.047 -25.959 1.00 11.03 C ATOM 1164 OG SER A 78 6.988 -24.724 -24.749 1.00 72.22 O ATOM 0 H SER A 78 9.011 -24.621 -25.249 1.00 4.41 H new ATOM 0 HA SER A 78 7.911 -23.370 -27.596 1.00 32.02 H new ATOM 0 HB2 SER A 78 5.899 -23.321 -25.789 1.00 11.03 H new ATOM 0 HB3 SER A 78 6.323 -24.759 -26.697 1.00 11.03 H new ATOM 0 HG SER A 78 6.408 -25.509 -24.664 1.00 72.22 H new ATOM 1170 N LYS A 79 7.844 -20.973 -27.041 1.00 4.53 N ATOM 1171 CA LYS A 79 7.830 -19.542 -26.759 1.00 35.15 C ATOM 1172 C LYS A 79 6.499 -18.920 -27.171 1.00 44.13 C ATOM 1173 O LYS A 79 5.853 -19.382 -28.111 1.00 52.40 O ATOM 1174 CB LYS A 79 8.979 -18.845 -27.489 1.00 63.25 C ATOM 1175 CG LYS A 79 9.023 -19.143 -28.978 1.00 51.03 C ATOM 1176 CD LYS A 79 8.924 -17.872 -29.804 1.00 53.44 C ATOM 1177 CE LYS A 79 10.298 -17.292 -30.103 1.00 20.22 C ATOM 1178 NZ LYS A 79 11.104 -18.195 -30.971 1.00 1.05 N ATOM 0 H LYS A 79 7.783 -21.208 -28.032 1.00 4.53 H new ATOM 0 HA LYS A 79 7.957 -19.408 -25.685 1.00 35.15 H new ATOM 0 HB2 LYS A 79 8.890 -17.768 -27.345 1.00 63.25 H new ATOM 0 HB3 LYS A 79 9.923 -19.150 -27.038 1.00 63.25 H new ATOM 0 HG2 LYS A 79 9.950 -19.663 -29.219 1.00 51.03 H new ATOM 0 HG3 LYS A 79 8.204 -19.813 -29.240 1.00 51.03 H new ATOM 0 HD2 LYS A 79 8.406 -18.084 -30.739 1.00 53.44 H new ATOM 0 HD3 LYS A 79 8.326 -17.135 -29.269 1.00 53.44 H new ATOM 0 HE2 LYS A 79 10.185 -16.324 -30.591 1.00 20.22 H new ATOM 0 HE3 LYS A 79 10.830 -17.117 -29.168 1.00 20.22 H new ATOM 0 HZ1 LYS A 79 11.789 -17.633 -31.516 1.00 1.05 H new ATOM 0 HZ2 LYS A 79 11.613 -18.882 -30.379 1.00 1.05 H new ATOM 0 HZ3 LYS A 79 10.474 -18.701 -31.625 1.00 1.05 H new ATOM 1192 N MET A 80 6.098 -17.869 -26.464 1.00 30.15 N ATOM 1193 CA MET A 80 4.847 -17.181 -26.761 1.00 1.23 C ATOM 1194 C MET A 80 4.934 -15.706 -26.380 1.00 21.31 C ATOM 1195 O MET A 80 5.476 -15.358 -25.332 1.00 3.44 O ATOM 1196 CB MET A 80 3.686 -17.844 -26.017 1.00 41.00 C ATOM 1197 CG MET A 80 3.951 -18.047 -24.534 1.00 41.20 C ATOM 1198 SD MET A 80 2.446 -17.981 -23.544 1.00 74.11 S ATOM 1199 CE MET A 80 1.629 -19.486 -24.069 1.00 22.51 C ATOM 0 H MET A 80 6.621 -17.475 -25.682 1.00 30.15 H new ATOM 0 HA MET A 80 4.669 -17.251 -27.834 1.00 1.23 H new ATOM 0 HB2 MET A 80 2.792 -17.233 -26.137 1.00 41.00 H new ATOM 0 HB3 MET A 80 3.476 -18.810 -26.476 1.00 41.00 H new ATOM 0 HG2 MET A 80 4.438 -19.011 -24.384 1.00 41.20 H new ATOM 0 HG3 MET A 80 4.645 -17.282 -24.185 1.00 41.20 H new ATOM 0 HE1 MET A 80 0.634 -19.248 -24.445 1.00 22.51 H new ATOM 0 HE2 MET A 80 2.212 -19.960 -24.859 1.00 22.51 H new ATOM 0 HE3 MET A 80 1.543 -20.168 -23.223 1.00 22.51 H new ATOM 1209 N MET A 81 4.397 -14.845 -27.238 1.00 62.42 N ATOM 1210 CA MET A 81 4.414 -13.408 -26.990 1.00 61.41 C ATOM 1211 C MET A 81 3.203 -12.985 -26.164 1.00 44.05 C ATOM 1212 O MET A 81 2.156 -13.632 -26.203 1.00 52.35 O ATOM 1213 CB MET A 81 4.437 -12.641 -28.313 1.00 43.04 C ATOM 1214 CG MET A 81 4.509 -11.133 -28.140 1.00 12.51 C ATOM 1215 SD MET A 81 4.791 -10.267 -29.696 1.00 61.03 S ATOM 1216 CE MET A 81 6.581 -10.277 -29.769 1.00 53.43 C ATOM 0 H MET A 81 3.945 -15.117 -28.111 1.00 62.42 H new ATOM 0 HA MET A 81 5.317 -13.172 -26.426 1.00 61.41 H new ATOM 0 HB2 MET A 81 5.293 -12.972 -28.901 1.00 43.04 H new ATOM 0 HB3 MET A 81 3.543 -12.891 -28.884 1.00 43.04 H new ATOM 0 HG2 MET A 81 3.580 -10.778 -27.694 1.00 12.51 H new ATOM 0 HG3 MET A 81 5.311 -10.889 -27.443 1.00 12.51 H new ATOM 0 HE1 MET A 81 6.911 -9.775 -30.679 1.00 53.43 H new ATOM 0 HE2 MET A 81 6.983 -9.755 -28.901 1.00 53.43 H new ATOM 0 HE3 MET A 81 6.939 -11.306 -29.772 1.00 53.43 H new ATOM 1226 N LEU A 82 3.353 -11.897 -25.418 1.00 5.50 N ATOM 1227 CA LEU A 82 2.272 -11.388 -24.581 1.00 43.41 C ATOM 1228 C LEU A 82 2.151 -9.873 -24.710 1.00 11.41 C ATOM 1229 O LEU A 82 3.030 -9.216 -25.267 1.00 54.41 O ATOM 1230 CB LEU A 82 2.510 -11.769 -23.119 1.00 31.21 C ATOM 1231 CG LEU A 82 3.032 -13.185 -22.871 1.00 0.20 C ATOM 1232 CD1 LEU A 82 3.438 -13.357 -21.415 1.00 52.25 C ATOM 1233 CD2 LEU A 82 1.982 -14.216 -23.259 1.00 45.04 C ATOM 0 H LEU A 82 4.213 -11.350 -25.375 1.00 5.50 H new ATOM 0 HA LEU A 82 1.340 -11.839 -24.921 1.00 43.41 H new ATOM 0 HB2 LEU A 82 3.220 -11.061 -22.691 1.00 31.21 H new ATOM 0 HB3 LEU A 82 1.573 -11.648 -22.576 1.00 31.21 H new ATOM 0 HG LEU A 82 3.913 -13.341 -23.493 1.00 0.20 H new ATOM 0 HD11 LEU A 82 3.807 -14.371 -21.257 1.00 52.25 H new ATOM 0 HD12 LEU A 82 4.224 -12.643 -21.170 1.00 52.25 H new ATOM 0 HD13 LEU A 82 2.575 -13.181 -20.773 1.00 52.25 H new ATOM 0 HD21 LEU A 82 2.371 -15.218 -23.076 1.00 45.04 H new ATOM 0 HD22 LEU A 82 1.082 -14.061 -22.663 1.00 45.04 H new ATOM 0 HD23 LEU A 82 1.740 -14.108 -24.316 1.00 45.04 H new ATOM 1245 N GLU A 83 1.057 -9.325 -24.189 1.00 22.21 N ATOM 1246 CA GLU A 83 0.823 -7.887 -24.245 1.00 31.15 C ATOM 1247 C GLU A 83 0.671 -7.306 -22.842 1.00 12.03 C ATOM 1248 O GLU A 83 -0.113 -7.805 -22.032 1.00 44.53 O ATOM 1249 CB GLU A 83 -0.427 -7.583 -25.073 1.00 34.24 C ATOM 1250 CG GLU A 83 -0.308 -7.998 -26.529 1.00 74.53 C ATOM 1251 CD GLU A 83 -0.526 -9.485 -26.732 1.00 21.43 C ATOM 1252 OE1 GLU A 83 0.283 -10.110 -27.450 1.00 33.21 O ATOM 1253 OE2 GLU A 83 -1.504 -10.024 -26.173 1.00 21.11 O ATOM 0 H GLU A 83 0.320 -9.855 -23.724 1.00 22.21 H new ATOM 0 HA GLU A 83 1.687 -7.422 -24.721 1.00 31.15 H new ATOM 0 HB2 GLU A 83 -1.281 -8.093 -24.627 1.00 34.24 H new ATOM 0 HB3 GLU A 83 -0.634 -6.514 -25.024 1.00 34.24 H new ATOM 0 HG2 GLU A 83 -1.036 -7.444 -27.121 1.00 74.53 H new ATOM 0 HG3 GLU A 83 0.680 -7.725 -26.901 1.00 74.53 H new ATOM 1260 N LEU A 84 1.425 -6.250 -22.561 1.00 4.55 N ATOM 1261 CA LEU A 84 1.376 -5.599 -21.255 1.00 71.45 C ATOM 1262 C LEU A 84 1.146 -4.099 -21.403 1.00 14.20 C ATOM 1263 O LEU A 84 1.519 -3.500 -22.411 1.00 44.54 O ATOM 1264 CB LEU A 84 2.674 -5.855 -20.487 1.00 53.30 C ATOM 1265 CG LEU A 84 2.748 -7.172 -19.713 1.00 52.45 C ATOM 1266 CD1 LEU A 84 2.790 -8.352 -20.672 1.00 4.24 C ATOM 1267 CD2 LEU A 84 3.961 -7.183 -18.796 1.00 24.44 C ATOM 0 H LEU A 84 2.078 -5.825 -23.219 1.00 4.55 H new ATOM 0 HA LEU A 84 0.541 -6.022 -20.696 1.00 71.45 H new ATOM 0 HB2 LEU A 84 3.503 -5.825 -21.194 1.00 53.30 H new ATOM 0 HB3 LEU A 84 2.825 -5.035 -19.785 1.00 53.30 H new ATOM 0 HG LEU A 84 1.853 -7.262 -19.098 1.00 52.45 H new ATOM 0 HD11 LEU A 84 2.843 -9.281 -20.104 1.00 4.24 H new ATOM 0 HD12 LEU A 84 1.890 -8.353 -21.287 1.00 4.24 H new ATOM 0 HD13 LEU A 84 3.668 -8.269 -21.313 1.00 4.24 H new ATOM 0 HD21 LEU A 84 3.998 -8.127 -18.253 1.00 24.44 H new ATOM 0 HD22 LEU A 84 4.868 -7.070 -19.391 1.00 24.44 H new ATOM 0 HD23 LEU A 84 3.888 -6.359 -18.086 1.00 24.44 H new ATOM 1279 N ASP A 85 0.530 -3.498 -20.391 1.00 3.23 N ATOM 1280 CA ASP A 85 0.254 -2.066 -20.405 1.00 43.13 C ATOM 1281 C ASP A 85 0.399 -1.470 -19.008 1.00 73.33 C ATOM 1282 O ASP A 85 -0.581 -1.111 -18.356 1.00 14.04 O ATOM 1283 CB ASP A 85 -1.153 -1.802 -20.943 1.00 10.41 C ATOM 1284 CG ASP A 85 -1.314 -0.392 -21.476 1.00 42.51 C ATOM 1285 OD1 ASP A 85 -0.670 0.528 -20.928 1.00 22.53 O ATOM 1286 OD2 ASP A 85 -2.083 -0.207 -22.442 1.00 62.23 O ATOM 0 H ASP A 85 0.212 -3.980 -19.550 1.00 3.23 H new ATOM 0 HA ASP A 85 0.981 -1.587 -21.061 1.00 43.13 H new ATOM 0 HB2 ASP A 85 -1.375 -2.515 -21.737 1.00 10.41 H new ATOM 0 HB3 ASP A 85 -1.880 -1.972 -20.149 1.00 10.41 H new ATOM 1291 N PRO A 86 1.650 -1.364 -18.537 1.00 12.43 N ATOM 1292 CA PRO A 86 1.952 -0.813 -17.212 1.00 62.11 C ATOM 1293 C PRO A 86 1.690 0.687 -17.134 1.00 42.01 C ATOM 1294 O PRO A 86 1.488 1.360 -18.145 1.00 75.53 O ATOM 1295 CB PRO A 86 3.445 -1.105 -17.039 1.00 52.00 C ATOM 1296 CG PRO A 86 3.977 -1.194 -18.428 1.00 32.53 C ATOM 1297 CD PRO A 86 2.866 -1.771 -19.260 1.00 73.54 C ATOM 0 HA PRO A 86 1.325 -1.251 -16.436 1.00 62.11 H new ATOM 0 HB2 PRO A 86 3.940 -0.314 -16.475 1.00 52.00 H new ATOM 0 HB3 PRO A 86 3.606 -2.035 -16.493 1.00 52.00 H new ATOM 0 HG2 PRO A 86 4.271 -0.211 -18.797 1.00 32.53 H new ATOM 0 HG3 PRO A 86 4.863 -1.827 -18.467 1.00 32.53 H new ATOM 0 HD2 PRO A 86 2.880 -1.378 -20.276 1.00 73.54 H new ATOM 0 HD3 PRO A 86 2.943 -2.856 -19.337 1.00 73.54 H new ATOM 1305 N PRO A 87 1.694 1.226 -15.906 1.00 1.20 N ATOM 1306 CA PRO A 87 1.458 2.653 -15.667 1.00 51.11 C ATOM 1307 C PRO A 87 2.611 3.522 -16.159 1.00 34.22 C ATOM 1308 O PRO A 87 3.524 3.038 -16.828 1.00 50.20 O ATOM 1309 CB PRO A 87 1.333 2.742 -14.144 1.00 63.11 C ATOM 1310 CG PRO A 87 2.101 1.573 -13.632 1.00 64.43 C ATOM 1311 CD PRO A 87 1.930 0.484 -14.656 1.00 1.50 C ATOM 0 HA PRO A 87 0.581 3.016 -16.202 1.00 51.11 H new ATOM 0 HB2 PRO A 87 1.742 3.680 -13.767 1.00 63.11 H new ATOM 0 HB3 PRO A 87 0.290 2.699 -13.829 1.00 63.11 H new ATOM 0 HG2 PRO A 87 3.154 1.824 -13.502 1.00 64.43 H new ATOM 0 HG3 PRO A 87 1.726 1.256 -12.659 1.00 64.43 H new ATOM 0 HD2 PRO A 87 2.817 -0.147 -14.724 1.00 1.50 H new ATOM 0 HD3 PRO A 87 1.092 -0.169 -14.412 1.00 1.50 H new ATOM 1319 N PHE A 88 2.562 4.807 -15.823 1.00 25.54 N ATOM 1320 CA PHE A 88 3.604 5.743 -16.230 1.00 33.24 C ATOM 1321 C PHE A 88 4.714 5.809 -15.185 1.00 64.34 C ATOM 1322 O PHE A 88 4.488 6.217 -14.047 1.00 41.33 O ATOM 1323 CB PHE A 88 3.010 7.136 -16.447 1.00 53.02 C ATOM 1324 CG PHE A 88 2.312 7.291 -17.768 1.00 62.44 C ATOM 1325 CD1 PHE A 88 2.816 8.143 -18.737 1.00 42.04 C ATOM 1326 CD2 PHE A 88 1.152 6.584 -18.041 1.00 61.31 C ATOM 1327 CE1 PHE A 88 2.177 8.287 -19.954 1.00 40.35 C ATOM 1328 CE2 PHE A 88 0.509 6.724 -19.256 1.00 72.43 C ATOM 1329 CZ PHE A 88 1.021 7.577 -20.214 1.00 2.33 C ATOM 0 H PHE A 88 1.813 5.224 -15.270 1.00 25.54 H new ATOM 0 HA PHE A 88 4.032 5.387 -17.167 1.00 33.24 H new ATOM 0 HB2 PHE A 88 2.304 7.350 -15.645 1.00 53.02 H new ATOM 0 HB3 PHE A 88 3.806 7.877 -16.377 1.00 53.02 H new ATOM 0 HD1 PHE A 88 3.719 8.701 -18.539 1.00 42.04 H new ATOM 0 HD2 PHE A 88 0.746 5.916 -17.296 1.00 61.31 H new ATOM 0 HE1 PHE A 88 2.581 8.954 -20.701 1.00 40.35 H new ATOM 0 HE2 PHE A 88 -0.394 6.166 -19.457 1.00 72.43 H new ATOM 0 HZ PHE A 88 0.519 7.689 -21.164 1.00 2.33 H new ATOM 1339 N GLY A 89 5.917 5.402 -15.582 1.00 53.12 N ATOM 1340 CA GLY A 89 7.045 5.421 -14.669 1.00 73.34 C ATOM 1341 C GLY A 89 8.054 4.331 -14.973 1.00 12.05 C ATOM 1342 O GLY A 89 8.379 4.083 -16.134 1.00 24.34 O ATOM 0 H GLY A 89 6.130 5.060 -16.519 1.00 53.12 H new ATOM 0 HA2 GLY A 89 7.536 6.392 -14.723 1.00 73.34 H new ATOM 0 HA3 GLY A 89 6.684 5.303 -13.647 1.00 73.34 H new ATOM 1346 N ASP A 90 8.551 3.680 -13.927 1.00 4.22 N ATOM 1347 CA ASP A 90 9.531 2.612 -14.087 1.00 31.35 C ATOM 1348 C ASP A 90 9.122 1.377 -13.290 1.00 24.51 C ATOM 1349 O ASP A 90 8.641 1.484 -12.162 1.00 54.23 O ATOM 1350 CB ASP A 90 10.914 3.088 -13.640 1.00 30.35 C ATOM 1351 CG ASP A 90 10.859 3.915 -12.370 1.00 63.21 C ATOM 1352 OD1 ASP A 90 10.191 3.482 -11.408 1.00 23.34 O ATOM 1353 OD2 ASP A 90 11.485 4.995 -12.339 1.00 21.22 O ATOM 0 H ASP A 90 8.292 3.873 -12.960 1.00 4.22 H new ATOM 0 HA ASP A 90 9.572 2.345 -15.143 1.00 31.35 H new ATOM 0 HB2 ASP A 90 11.558 2.224 -13.480 1.00 30.35 H new ATOM 0 HB3 ASP A 90 11.366 3.679 -14.436 1.00 30.35 H new ATOM 1358 N SER A 91 9.317 0.204 -13.885 1.00 23.13 N ATOM 1359 CA SER A 91 8.965 -1.052 -13.233 1.00 11.14 C ATOM 1360 C SER A 91 9.955 -2.152 -13.602 1.00 21.33 C ATOM 1361 O SER A 91 10.855 -1.946 -14.417 1.00 15.32 O ATOM 1362 CB SER A 91 7.547 -1.474 -13.624 1.00 2.35 C ATOM 1363 OG SER A 91 6.581 -0.823 -12.817 1.00 52.31 O ATOM 0 H SER A 91 9.717 0.098 -14.817 1.00 23.13 H new ATOM 0 HA SER A 91 9.006 -0.897 -12.155 1.00 11.14 H new ATOM 0 HB2 SER A 91 7.369 -1.236 -14.673 1.00 2.35 H new ATOM 0 HB3 SER A 91 7.444 -2.554 -13.520 1.00 2.35 H new ATOM 0 HG SER A 91 6.971 -0.012 -12.430 1.00 52.31 H new ATOM 1369 N TYR A 92 9.783 -3.322 -12.996 1.00 13.21 N ATOM 1370 CA TYR A 92 10.661 -4.455 -13.259 1.00 23.43 C ATOM 1371 C TYR A 92 9.874 -5.636 -13.818 1.00 61.43 C ATOM 1372 O TYR A 92 9.070 -6.250 -13.116 1.00 1.55 O ATOM 1373 CB TYR A 92 11.387 -4.873 -11.978 1.00 51.44 C ATOM 1374 CG TYR A 92 12.690 -4.140 -11.755 1.00 4.31 C ATOM 1375 CD1 TYR A 92 12.851 -3.283 -10.673 1.00 4.21 C ATOM 1376 CD2 TYR A 92 13.760 -4.303 -12.626 1.00 24.01 C ATOM 1377 CE1 TYR A 92 14.040 -2.610 -10.465 1.00 22.41 C ATOM 1378 CE2 TYR A 92 14.953 -3.636 -12.425 1.00 2.01 C ATOM 1379 CZ TYR A 92 15.088 -2.791 -11.343 1.00 42.33 C ATOM 1380 OH TYR A 92 16.274 -2.123 -11.141 1.00 24.35 O ATOM 0 H TYR A 92 9.043 -3.510 -12.319 1.00 13.21 H new ATOM 0 HA TYR A 92 11.396 -4.147 -14.002 1.00 23.43 H new ATOM 0 HB2 TYR A 92 10.731 -4.699 -11.125 1.00 51.44 H new ATOM 0 HB3 TYR A 92 11.584 -5.944 -12.015 1.00 51.44 H new ATOM 0 HD1 TYR A 92 12.033 -3.140 -9.983 1.00 4.21 H new ATOM 0 HD2 TYR A 92 13.657 -4.963 -13.475 1.00 24.01 H new ATOM 0 HE1 TYR A 92 14.148 -1.946 -9.620 1.00 22.41 H new ATOM 0 HE2 TYR A 92 15.775 -3.775 -13.111 1.00 2.01 H new ATOM 0 HH TYR A 92 16.909 -2.362 -11.848 1.00 24.35 H new ATOM 1390 N ILE A 93 10.112 -5.950 -15.087 1.00 44.54 N ATOM 1391 CA ILE A 93 9.428 -7.057 -15.742 1.00 32.51 C ATOM 1392 C ILE A 93 9.934 -8.399 -15.224 1.00 64.43 C ATOM 1393 O ILE A 93 11.083 -8.774 -15.459 1.00 44.10 O ATOM 1394 CB ILE A 93 9.610 -7.008 -17.270 1.00 53.34 C ATOM 1395 CG1 ILE A 93 9.103 -5.674 -17.823 1.00 52.00 C ATOM 1396 CG2 ILE A 93 8.882 -8.171 -17.929 1.00 4.35 C ATOM 1397 CD1 ILE A 93 9.565 -5.391 -19.235 1.00 55.54 C ATOM 0 H ILE A 93 10.774 -5.452 -15.682 1.00 44.54 H new ATOM 0 HA ILE A 93 8.368 -6.955 -15.508 1.00 32.51 H new ATOM 0 HB ILE A 93 10.673 -7.095 -17.497 1.00 53.34 H new ATOM 0 HG12 ILE A 93 8.013 -5.670 -17.798 1.00 52.00 H new ATOM 0 HG13 ILE A 93 9.439 -4.868 -17.171 1.00 52.00 H new ATOM 0 HG21 ILE A 93 9.020 -8.122 -19.009 1.00 4.35 H new ATOM 0 HG22 ILE A 93 9.285 -9.112 -17.554 1.00 4.35 H new ATOM 0 HG23 ILE A 93 7.819 -8.113 -17.697 1.00 4.35 H new ATOM 0 HD11 ILE A 93 9.168 -4.430 -19.562 1.00 55.54 H new ATOM 0 HD12 ILE A 93 10.654 -5.362 -19.263 1.00 55.54 H new ATOM 0 HD13 ILE A 93 9.206 -6.177 -19.900 1.00 55.54 H new ATOM 1409 N VAL A 94 9.068 -9.121 -14.520 1.00 3.02 N ATOM 1410 CA VAL A 94 9.427 -10.423 -13.970 1.00 11.21 C ATOM 1411 C VAL A 94 8.561 -11.528 -14.564 1.00 53.20 C ATOM 1412 O VAL A 94 7.345 -11.378 -14.689 1.00 50.41 O ATOM 1413 CB VAL A 94 9.285 -10.443 -12.436 1.00 53.23 C ATOM 1414 CG1 VAL A 94 9.797 -11.758 -11.869 1.00 43.14 C ATOM 1415 CG2 VAL A 94 10.020 -9.263 -11.818 1.00 63.41 C ATOM 0 H VAL A 94 8.113 -8.826 -14.317 1.00 3.02 H new ATOM 0 HA VAL A 94 10.470 -10.601 -14.233 1.00 11.21 H new ATOM 0 HB VAL A 94 8.228 -10.355 -12.185 1.00 53.23 H new ATOM 0 HG11 VAL A 94 9.689 -11.753 -10.784 1.00 43.14 H new ATOM 0 HG12 VAL A 94 9.221 -12.583 -12.288 1.00 43.14 H new ATOM 0 HG13 VAL A 94 10.849 -11.881 -12.128 1.00 43.14 H new ATOM 0 HG21 VAL A 94 9.909 -9.293 -10.734 1.00 63.41 H new ATOM 0 HG22 VAL A 94 11.078 -9.317 -12.076 1.00 63.41 H new ATOM 0 HG23 VAL A 94 9.600 -8.332 -12.200 1.00 63.41 H new ATOM 1425 N ILE A 95 9.194 -12.637 -14.928 1.00 65.40 N ATOM 1426 CA ILE A 95 8.481 -13.769 -15.508 1.00 2.25 C ATOM 1427 C ILE A 95 8.565 -14.993 -14.602 1.00 74.24 C ATOM 1428 O ILE A 95 9.651 -15.499 -14.323 1.00 72.02 O ATOM 1429 CB ILE A 95 9.037 -14.133 -16.897 1.00 52.30 C ATOM 1430 CG1 ILE A 95 8.935 -12.933 -17.841 1.00 62.02 C ATOM 1431 CG2 ILE A 95 8.291 -15.329 -17.469 1.00 54.32 C ATOM 1432 CD1 ILE A 95 7.513 -12.485 -18.098 1.00 5.33 C ATOM 0 H ILE A 95 10.200 -12.777 -14.832 1.00 65.40 H new ATOM 0 HA ILE A 95 7.439 -13.467 -15.611 1.00 2.25 H new ATOM 0 HB ILE A 95 10.088 -14.401 -16.793 1.00 52.30 H new ATOM 0 HG12 ILE A 95 9.499 -12.101 -17.420 1.00 62.02 H new ATOM 0 HG13 ILE A 95 9.404 -13.188 -18.791 1.00 62.02 H new ATOM 0 HG21 ILE A 95 8.695 -15.574 -18.451 1.00 54.32 H new ATOM 0 HG22 ILE A 95 8.410 -16.184 -16.804 1.00 54.32 H new ATOM 0 HG23 ILE A 95 7.232 -15.087 -17.563 1.00 54.32 H new ATOM 0 HD11 ILE A 95 7.517 -11.631 -18.775 1.00 5.33 H new ATOM 0 HD12 ILE A 95 6.950 -13.302 -18.548 1.00 5.33 H new ATOM 0 HD13 ILE A 95 7.046 -12.199 -17.156 1.00 5.33 H new ATOM 1444 N GLY A 96 7.408 -15.466 -14.148 1.00 21.43 N ATOM 1445 CA GLY A 96 7.372 -16.629 -13.281 1.00 21.55 C ATOM 1446 C GLY A 96 8.229 -16.456 -12.042 1.00 73.01 C ATOM 1447 O GLY A 96 8.822 -15.398 -11.832 1.00 14.15 O ATOM 0 H GLY A 96 6.496 -15.065 -14.365 1.00 21.43 H new ATOM 0 HA2 GLY A 96 6.342 -16.824 -12.982 1.00 21.55 H new ATOM 0 HA3 GLY A 96 7.713 -17.503 -13.836 1.00 21.55 H new ATOM 1451 N VAL A 97 8.293 -17.497 -11.218 1.00 64.45 N ATOM 1452 CA VAL A 97 9.082 -17.455 -9.993 1.00 12.13 C ATOM 1453 C VAL A 97 9.975 -18.684 -9.871 1.00 62.20 C ATOM 1454 O VAL A 97 9.701 -19.725 -10.467 1.00 21.24 O ATOM 1455 CB VAL A 97 8.179 -17.364 -8.748 1.00 23.42 C ATOM 1456 CG1 VAL A 97 7.334 -16.101 -8.792 1.00 11.33 C ATOM 1457 CG2 VAL A 97 7.300 -18.601 -8.637 1.00 12.41 C ATOM 0 H VAL A 97 7.808 -18.380 -11.377 1.00 64.45 H new ATOM 0 HA VAL A 97 9.705 -16.562 -10.048 1.00 12.13 H new ATOM 0 HB VAL A 97 8.813 -17.316 -7.863 1.00 23.42 H new ATOM 0 HG11 VAL A 97 6.703 -16.054 -7.905 1.00 11.33 H new ATOM 0 HG12 VAL A 97 7.986 -15.228 -8.820 1.00 11.33 H new ATOM 0 HG13 VAL A 97 6.706 -16.114 -9.683 1.00 11.33 H new ATOM 0 HG21 VAL A 97 6.669 -18.520 -7.752 1.00 12.41 H new ATOM 0 HG22 VAL A 97 6.672 -18.682 -9.525 1.00 12.41 H new ATOM 0 HG23 VAL A 97 7.928 -19.488 -8.555 1.00 12.41 H new ATOM 1467 N GLY A 98 11.046 -18.556 -9.094 1.00 24.12 N ATOM 1468 CA GLY A 98 11.965 -19.664 -8.908 1.00 34.44 C ATOM 1469 C GLY A 98 13.364 -19.204 -8.551 1.00 21.24 C ATOM 1470 O GLY A 98 13.556 -18.078 -8.093 1.00 74.10 O ATOM 0 H GLY A 98 11.294 -17.705 -8.590 1.00 24.12 H new ATOM 0 HA2 GLY A 98 11.588 -20.316 -8.120 1.00 34.44 H new ATOM 0 HA3 GLY A 98 12.003 -20.257 -9.821 1.00 34.44 H new ATOM 1474 N GLU A 99 14.344 -20.078 -8.759 1.00 20.13 N ATOM 1475 CA GLU A 99 15.732 -19.755 -8.452 1.00 25.33 C ATOM 1476 C GLU A 99 16.379 -18.986 -9.600 1.00 52.31 C ATOM 1477 O GLU A 99 17.203 -18.097 -9.382 1.00 34.25 O ATOM 1478 CB GLU A 99 16.526 -21.033 -8.169 1.00 52.21 C ATOM 1479 CG GLU A 99 16.263 -21.621 -6.793 1.00 13.31 C ATOM 1480 CD GLU A 99 17.033 -22.904 -6.550 1.00 1.13 C ATOM 1481 OE1 GLU A 99 16.629 -23.951 -7.099 1.00 4.45 O ATOM 1482 OE2 GLU A 99 18.039 -22.862 -5.811 1.00 11.21 O ATOM 0 H GLU A 99 14.202 -21.014 -9.138 1.00 20.13 H new ATOM 0 HA GLU A 99 15.743 -19.124 -7.563 1.00 25.33 H new ATOM 0 HB2 GLU A 99 16.281 -21.778 -8.926 1.00 52.21 H new ATOM 0 HB3 GLU A 99 17.590 -20.818 -8.266 1.00 52.21 H new ATOM 0 HG2 GLU A 99 16.534 -20.889 -6.032 1.00 13.31 H new ATOM 0 HG3 GLU A 99 15.196 -21.816 -6.683 1.00 13.31 H new ATOM 1489 N LYS A 100 16.000 -19.334 -10.825 1.00 53.20 N ATOM 1490 CA LYS A 100 16.538 -18.675 -12.009 1.00 62.33 C ATOM 1491 C LYS A 100 15.615 -17.554 -12.475 1.00 70.03 C ATOM 1492 O LYS A 100 15.485 -17.300 -13.673 1.00 42.10 O ATOM 1493 CB LYS A 100 16.735 -19.690 -13.137 1.00 60.35 C ATOM 1494 CG LYS A 100 17.447 -20.958 -12.698 1.00 5.31 C ATOM 1495 CD LYS A 100 18.897 -20.684 -12.332 1.00 34.34 C ATOM 1496 CE LYS A 100 19.755 -20.480 -13.570 1.00 45.21 C ATOM 1497 NZ LYS A 100 21.209 -20.576 -13.259 1.00 53.43 N ATOM 0 H LYS A 100 15.322 -20.069 -11.024 1.00 53.20 H new ATOM 0 HA LYS A 100 17.503 -18.241 -11.746 1.00 62.33 H new ATOM 0 HB2 LYS A 100 15.762 -19.955 -13.550 1.00 60.35 H new ATOM 0 HB3 LYS A 100 17.306 -19.222 -13.939 1.00 60.35 H new ATOM 0 HG2 LYS A 100 16.929 -21.389 -11.841 1.00 5.31 H new ATOM 0 HG3 LYS A 100 17.406 -21.696 -13.499 1.00 5.31 H new ATOM 0 HD2 LYS A 100 18.953 -19.798 -11.700 1.00 34.34 H new ATOM 0 HD3 LYS A 100 19.290 -21.517 -11.749 1.00 34.34 H new ATOM 0 HE2 LYS A 100 19.494 -21.227 -14.320 1.00 45.21 H new ATOM 0 HE3 LYS A 100 19.540 -19.504 -14.004 1.00 45.21 H new ATOM 0 HZ1 LYS A 100 21.760 -20.431 -14.129 1.00 53.43 H new ATOM 0 HZ2 LYS A 100 21.464 -19.847 -12.562 1.00 53.43 H new ATOM 0 HZ3 LYS A 100 21.419 -21.517 -12.868 1.00 53.43 H new ATOM 1511 N LYS A 101 14.976 -16.885 -11.522 1.00 2.14 N ATOM 1512 CA LYS A 101 14.066 -15.789 -11.833 1.00 61.14 C ATOM 1513 C LYS A 101 14.737 -14.768 -12.747 1.00 74.21 C ATOM 1514 O LYS A 101 15.937 -14.516 -12.636 1.00 73.11 O ATOM 1515 CB LYS A 101 13.597 -15.107 -10.546 1.00 52.14 C ATOM 1516 CG LYS A 101 12.437 -15.817 -9.869 1.00 65.24 C ATOM 1517 CD LYS A 101 12.214 -15.300 -8.458 1.00 64.30 C ATOM 1518 CE LYS A 101 10.736 -15.091 -8.168 1.00 70.31 C ATOM 1519 NZ LYS A 101 10.517 -14.058 -7.118 1.00 23.41 N ATOM 0 H LYS A 101 15.072 -17.083 -10.526 1.00 2.14 H new ATOM 0 HA LYS A 101 13.202 -16.203 -12.352 1.00 61.14 H new ATOM 0 HB2 LYS A 101 14.433 -15.050 -9.849 1.00 52.14 H new ATOM 0 HB3 LYS A 101 13.302 -14.083 -10.774 1.00 52.14 H new ATOM 0 HG2 LYS A 101 11.530 -15.676 -10.457 1.00 65.24 H new ATOM 0 HG3 LYS A 101 12.633 -16.889 -9.838 1.00 65.24 H new ATOM 0 HD2 LYS A 101 12.630 -16.007 -7.740 1.00 64.30 H new ATOM 0 HD3 LYS A 101 12.748 -14.359 -8.325 1.00 64.30 H new ATOM 0 HE2 LYS A 101 10.225 -14.792 -9.083 1.00 70.31 H new ATOM 0 HE3 LYS A 101 10.292 -16.034 -7.848 1.00 70.31 H new ATOM 0 HZ1 LYS A 101 9.497 -13.945 -6.949 1.00 23.41 H new ATOM 0 HZ2 LYS A 101 10.983 -14.355 -6.237 1.00 23.41 H new ATOM 0 HZ3 LYS A 101 10.918 -13.152 -7.434 1.00 23.41 H new ATOM 1533 N ILE A 102 13.954 -14.183 -13.648 1.00 22.51 N ATOM 1534 CA ILE A 102 14.473 -13.188 -14.578 1.00 73.53 C ATOM 1535 C ILE A 102 13.809 -11.833 -14.360 1.00 71.10 C ATOM 1536 O ILE A 102 12.619 -11.754 -14.054 1.00 13.33 O ATOM 1537 CB ILE A 102 14.261 -13.621 -16.041 1.00 61.41 C ATOM 1538 CG1 ILE A 102 12.768 -13.658 -16.374 1.00 42.43 C ATOM 1539 CG2 ILE A 102 14.898 -14.981 -16.288 1.00 54.14 C ATOM 1540 CD1 ILE A 102 12.478 -14.051 -17.806 1.00 31.13 C ATOM 0 H ILE A 102 12.959 -14.381 -13.753 1.00 22.51 H new ATOM 0 HA ILE A 102 15.542 -13.102 -14.384 1.00 73.53 H new ATOM 0 HB ILE A 102 14.741 -12.892 -16.694 1.00 61.41 H new ATOM 0 HG12 ILE A 102 12.272 -14.361 -15.705 1.00 42.43 H new ATOM 0 HG13 ILE A 102 12.336 -12.676 -16.181 1.00 42.43 H new ATOM 0 HG21 ILE A 102 14.740 -15.274 -17.326 1.00 54.14 H new ATOM 0 HG22 ILE A 102 15.968 -14.924 -16.086 1.00 54.14 H new ATOM 0 HG23 ILE A 102 14.443 -15.721 -15.629 1.00 54.14 H new ATOM 0 HD11 ILE A 102 11.401 -14.056 -17.971 1.00 31.13 H new ATOM 0 HD12 ILE A 102 12.945 -13.334 -18.482 1.00 31.13 H new ATOM 0 HD13 ILE A 102 12.879 -15.046 -17.999 1.00 31.13 H new ATOM 1552 N THR A 103 14.586 -10.767 -14.521 1.00 42.43 N ATOM 1553 CA THR A 103 14.074 -9.414 -14.343 1.00 43.20 C ATOM 1554 C THR A 103 14.594 -8.481 -15.431 1.00 64.31 C ATOM 1555 O THR A 103 15.632 -8.741 -16.042 1.00 75.20 O ATOM 1556 CB THR A 103 14.462 -8.843 -12.966 1.00 31.54 C ATOM 1557 OG1 THR A 103 15.751 -9.332 -12.578 1.00 41.34 O ATOM 1558 CG2 THR A 103 13.432 -9.225 -11.913 1.00 22.02 C ATOM 0 H THR A 103 15.573 -10.814 -14.775 1.00 42.43 H new ATOM 0 HA THR A 103 12.988 -9.477 -14.410 1.00 43.20 H new ATOM 0 HB THR A 103 14.494 -7.756 -13.044 1.00 31.54 H new ATOM 0 HG1 THR A 103 15.991 -8.963 -11.702 1.00 41.34 H new ATOM 0 HG21 THR A 103 13.727 -8.811 -10.949 1.00 22.02 H new ATOM 0 HG22 THR A 103 12.457 -8.827 -12.196 1.00 22.02 H new ATOM 0 HG23 THR A 103 13.373 -10.311 -11.839 1.00 22.02 H new ATOM 1566 N HIS A 104 13.868 -7.393 -15.669 1.00 22.54 N ATOM 1567 CA HIS A 104 14.257 -6.422 -16.684 1.00 50.43 C ATOM 1568 C HIS A 104 13.864 -5.009 -16.263 1.00 52.22 C ATOM 1569 O HIS A 104 12.714 -4.755 -15.902 1.00 24.05 O ATOM 1570 CB HIS A 104 13.608 -6.766 -18.025 1.00 15.00 C ATOM 1571 CG HIS A 104 14.262 -6.100 -19.196 1.00 70.22 C ATOM 1572 ND1 HIS A 104 15.473 -6.509 -19.714 1.00 10.40 N ATOM 1573 CD2 HIS A 104 13.866 -5.050 -19.952 1.00 43.42 C ATOM 1574 CE1 HIS A 104 15.795 -5.737 -20.737 1.00 13.23 C ATOM 1575 NE2 HIS A 104 14.836 -4.844 -20.902 1.00 50.54 N ATOM 0 H HIS A 104 13.007 -7.162 -15.172 1.00 22.54 H new ATOM 0 HA HIS A 104 15.341 -6.462 -16.793 1.00 50.43 H new ATOM 0 HB2 HIS A 104 13.639 -7.846 -18.168 1.00 15.00 H new ATOM 0 HB3 HIS A 104 12.557 -6.479 -17.995 1.00 15.00 H new ATOM 0 HD2 HIS A 104 12.957 -4.480 -19.831 1.00 43.42 H new ATOM 0 HE1 HIS A 104 16.690 -5.822 -21.336 1.00 13.23 H new ATOM 0 HE2 HIS A 104 14.819 -4.119 -21.619 1.00 50.54 H new ATOM 1583 N HIS A 105 14.826 -4.093 -16.312 1.00 12.42 N ATOM 1584 CA HIS A 105 14.580 -2.705 -15.935 1.00 32.20 C ATOM 1585 C HIS A 105 13.765 -1.987 -17.007 1.00 30.43 C ATOM 1586 O HIS A 105 14.090 -2.049 -18.192 1.00 61.43 O ATOM 1587 CB HIS A 105 15.903 -1.974 -15.709 1.00 3.22 C ATOM 1588 CG HIS A 105 16.787 -1.948 -16.917 1.00 44.24 C ATOM 1589 ND1 HIS A 105 16.685 -0.990 -17.904 1.00 43.01 N ATOM 1590 CD2 HIS A 105 17.795 -2.769 -17.295 1.00 4.52 C ATOM 1591 CE1 HIS A 105 17.591 -1.224 -18.837 1.00 10.30 C ATOM 1592 NE2 HIS A 105 18.278 -2.297 -18.491 1.00 21.31 N ATOM 0 H HIS A 105 15.783 -4.286 -16.609 1.00 12.42 H new ATOM 0 HA HIS A 105 14.009 -2.702 -15.007 1.00 32.20 H new ATOM 0 HB2 HIS A 105 15.694 -0.950 -15.400 1.00 3.22 H new ATOM 0 HB3 HIS A 105 16.437 -2.452 -14.888 1.00 3.22 H new ATOM 0 HD2 HIS A 105 18.153 -3.634 -16.756 1.00 4.52 H new ATOM 0 HE1 HIS A 105 17.744 -0.637 -19.731 1.00 10.30 H new ATOM 0 HE2 HIS A 105 19.043 -2.709 -19.025 1.00 21.31 H new ATOM 1600 N TRP A 106 12.706 -1.308 -16.582 1.00 31.35 N ATOM 1601 CA TRP A 106 11.844 -0.580 -17.506 1.00 1.45 C ATOM 1602 C TRP A 106 11.670 0.868 -17.060 1.00 54.13 C ATOM 1603 O TRP A 106 11.256 1.135 -15.931 1.00 44.23 O ATOM 1604 CB TRP A 106 10.479 -1.263 -17.609 1.00 4.54 C ATOM 1605 CG TRP A 106 9.496 -0.502 -18.446 1.00 43.01 C ATOM 1606 CD1 TRP A 106 8.232 -0.129 -18.090 1.00 11.33 C ATOM 1607 CD2 TRP A 106 9.697 -0.024 -19.781 1.00 33.12 C ATOM 1608 NE1 TRP A 106 7.634 0.552 -19.123 1.00 1.44 N ATOM 1609 CE2 TRP A 106 8.512 0.631 -20.171 1.00 61.20 C ATOM 1610 CE3 TRP A 106 10.762 -0.084 -20.683 1.00 52.34 C ATOM 1611 CZ2 TRP A 106 8.365 1.219 -21.424 1.00 44.23 C ATOM 1612 CZ3 TRP A 106 10.615 0.500 -21.927 1.00 55.40 C ATOM 1613 CH2 TRP A 106 9.424 1.146 -22.288 1.00 62.41 C ATOM 0 H TRP A 106 12.423 -1.246 -15.604 1.00 31.35 H new ATOM 0 HA TRP A 106 12.319 -0.584 -18.487 1.00 1.45 H new ATOM 0 HB2 TRP A 106 10.610 -2.259 -18.031 1.00 4.54 H new ATOM 0 HB3 TRP A 106 10.069 -1.393 -16.607 1.00 4.54 H new ATOM 0 HD1 TRP A 106 7.770 -0.338 -17.137 1.00 11.33 H new ATOM 0 HE1 TRP A 106 6.689 0.936 -19.111 1.00 1.44 H new ATOM 0 HE3 TRP A 106 11.684 -0.578 -20.413 1.00 52.34 H new ATOM 0 HZ2 TRP A 106 7.448 1.715 -21.705 1.00 44.23 H new ATOM 0 HZ3 TRP A 106 11.431 0.458 -22.633 1.00 55.40 H new ATOM 0 HH2 TRP A 106 9.341 1.595 -23.267 1.00 62.41 H new ATOM 1624 N HIS A 107 11.986 1.800 -17.954 1.00 25.03 N ATOM 1625 CA HIS A 107 11.861 3.222 -17.653 1.00 23.33 C ATOM 1626 C HIS A 107 11.155 3.957 -18.788 1.00 0.24 C ATOM 1627 O HIS A 107 11.307 3.605 -19.957 1.00 75.15 O ATOM 1628 CB HIS A 107 13.240 3.837 -17.411 1.00 61.30 C ATOM 1629 CG HIS A 107 14.152 3.747 -18.596 1.00 11.21 C ATOM 1630 ND1 HIS A 107 15.097 2.754 -18.745 1.00 2.52 N ATOM 1631 CD2 HIS A 107 14.258 4.533 -19.693 1.00 10.33 C ATOM 1632 CE1 HIS A 107 15.747 2.935 -19.881 1.00 75.31 C ATOM 1633 NE2 HIS A 107 15.256 4.007 -20.476 1.00 10.34 N ATOM 0 H HIS A 107 12.330 1.596 -18.892 1.00 25.03 H new ATOM 0 HA HIS A 107 11.262 3.326 -16.748 1.00 23.33 H new ATOM 0 HB2 HIS A 107 13.118 4.884 -17.135 1.00 61.30 H new ATOM 0 HB3 HIS A 107 13.708 3.337 -16.563 1.00 61.30 H new ATOM 0 HD2 HIS A 107 13.668 5.410 -19.912 1.00 10.33 H new ATOM 0 HE1 HIS A 107 16.544 2.312 -20.259 1.00 75.31 H new ATOM 0 HE2 HIS A 107 15.567 4.383 -21.372 1.00 10.34 H new ATOM 1641 N ARG A 108 10.383 4.979 -18.434 1.00 11.33 N ATOM 1642 CA ARG A 108 9.652 5.763 -19.422 1.00 73.33 C ATOM 1643 C ARG A 108 10.023 7.240 -19.329 1.00 25.43 C ATOM 1644 O ARG A 108 9.890 7.858 -18.273 1.00 15.02 O ATOM 1645 CB ARG A 108 8.144 5.592 -19.226 1.00 62.22 C ATOM 1646 CG ARG A 108 7.605 4.276 -19.764 1.00 43.42 C ATOM 1647 CD ARG A 108 7.190 4.399 -21.222 1.00 64.01 C ATOM 1648 NE ARG A 108 8.338 4.351 -22.124 1.00 3.53 N ATOM 1649 CZ ARG A 108 8.271 4.655 -23.415 1.00 65.12 C ATOM 1650 NH1 ARG A 108 7.118 5.026 -23.953 1.00 41.15 N ATOM 1651 NH2 ARG A 108 9.360 4.588 -24.171 1.00 21.31 N ATOM 0 H ARG A 108 10.248 5.284 -17.470 1.00 11.33 H new ATOM 0 HA ARG A 108 9.927 5.399 -20.412 1.00 73.33 H new ATOM 0 HB2 ARG A 108 7.914 5.661 -18.163 1.00 62.22 H new ATOM 0 HB3 ARG A 108 7.627 6.415 -19.718 1.00 62.22 H new ATOM 0 HG2 ARG A 108 8.366 3.502 -19.665 1.00 43.42 H new ATOM 0 HG3 ARG A 108 6.750 3.960 -19.166 1.00 43.42 H new ATOM 0 HD2 ARG A 108 6.499 3.594 -21.471 1.00 64.01 H new ATOM 0 HD3 ARG A 108 6.653 5.336 -21.368 1.00 64.01 H new ATOM 0 HE ARG A 108 9.240 4.069 -21.741 1.00 3.53 H new ATOM 0 HH11 ARG A 108 6.279 5.079 -23.375 1.00 41.15 H new ATOM 0 HH12 ARG A 108 7.070 5.259 -24.945 1.00 41.15 H new ATOM 0 HH21 ARG A 108 10.249 4.303 -23.760 1.00 21.31 H new ATOM 0 HH22 ARG A 108 9.308 4.822 -25.163 1.00 21.31 H new