USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= 0 X(o=-0.31,f=-0.36) USER MOD Set 1.2: A 93 SER OG : rot -168:sc= -0.308 USER MOD Set 2.1: A 40 SER OG : rot -32:sc= 0.402 USER MOD Set 2.2: A 67 HIS :FLIP no HE2:sc= -1.35 F(o=-3.8,f=-0.94) USER MOD Set 3.1: A 48 THR OG1 : rot 130:sc= 0.0351 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -150:sc= -1.01 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 154:sc= -6.23! (180deg=-7.86!) USER MOD Single : A 44 SER OG : rot 25:sc= 0.869 USER MOD Single : A 46 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-3.5!) USER MOD Single : A 49 SER OG : rot 74:sc= 1.21 USER MOD Single : A 51 SER OG : rot -110:sc= -2.82! USER MOD Single : A 55 THR OG1 : rot -59:sc= -0.43 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.687 K(o=-0.69,f=-6.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl -144:sc= -0.0242 (180deg=-0.123) USER MOD Single : A 79 HIS : no HE2:sc= -7.42! C(o=-7.4!,f=-9.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.339) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.049 USER MOD Single : A 88 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.661 -1.362 -11.763 1.00 0.00 N ATOM 312 CA ALA A 23 -4.828 -1.248 -10.896 1.00 0.00 C ATOM 313 C ALA A 23 -5.930 -0.432 -11.563 1.00 0.00 C ATOM 314 O ALA A 23 -5.659 0.567 -12.231 1.00 0.00 O ATOM 315 CB ALA A 23 -4.438 -0.624 -9.565 1.00 0.00 C ATOM 0 HA ALA A 23 -5.214 -2.251 -10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.319 -0.545 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.691 -1.249 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.024 0.370 -9.736 1.00 0.00 H new ATOM 321 N THR A 24 -7.174 -0.862 -11.378 1.00 0.00 N ATOM 322 CA THR A 24 -8.316 -0.172 -11.963 1.00 0.00 C ATOM 323 C THR A 24 -9.084 0.613 -10.907 1.00 0.00 C ATOM 324 O THR A 24 -8.835 0.471 -9.710 1.00 0.00 O ATOM 325 CB THR A 24 -9.277 -1.160 -12.652 1.00 0.00 C ATOM 326 OG1 THR A 24 -10.450 -0.471 -13.100 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.673 -2.281 -11.702 1.00 0.00 C ATOM 0 H THR A 24 -7.416 -1.686 -10.827 1.00 0.00 H new ATOM 0 HA THR A 24 -7.920 0.518 -12.708 1.00 0.00 H new ATOM 0 HB THR A 24 -8.763 -1.595 -13.509 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.055 -1.106 -13.538 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.352 -2.966 -12.210 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.781 -2.822 -11.386 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.170 -1.859 -10.829 1.00 0.00 H new ATOM 335 N VAL A 25 -10.021 1.443 -11.357 1.00 0.00 N ATOM 336 CA VAL A 25 -10.827 2.250 -10.449 1.00 0.00 C ATOM 337 C VAL A 25 -12.286 1.810 -10.471 1.00 0.00 C ATOM 338 O VAL A 25 -12.874 1.624 -11.536 1.00 0.00 O ATOM 339 CB VAL A 25 -10.748 3.746 -10.808 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.235 3.981 -12.230 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.552 4.574 -9.817 1.00 0.00 C ATOM 0 H VAL A 25 -10.240 1.574 -12.345 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.421 2.102 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.706 4.061 -10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.172 5.043 -12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.613 3.418 -12.925 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.270 3.651 -12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.485 5.628 -10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.595 4.259 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.152 4.429 -8.813 1.00 0.00 H new ATOM 351 N GLY A 26 -12.867 1.645 -9.286 1.00 0.00 N ATOM 352 CA GLY A 26 -14.254 1.227 -9.192 1.00 0.00 C ATOM 353 C GLY A 26 -14.427 -0.263 -9.406 1.00 0.00 C ATOM 354 O GLY A 26 -15.299 -0.691 -10.163 1.00 0.00 O ATOM 0 H GLY A 26 -12.402 1.793 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.646 1.498 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.844 1.768 -9.932 1.00 0.00 H new ATOM 358 N SER A 27 -13.594 -1.056 -8.741 1.00 0.00 N ATOM 359 CA SER A 27 -13.655 -2.507 -8.867 1.00 0.00 C ATOM 360 C SER A 27 -12.827 -3.183 -7.777 1.00 0.00 C ATOM 361 O SER A 27 -11.821 -2.639 -7.321 1.00 0.00 O ATOM 362 CB SER A 27 -13.155 -2.942 -10.246 1.00 0.00 C ATOM 363 OG SER A 27 -13.710 -4.192 -10.618 1.00 0.00 O ATOM 0 H SER A 27 -12.868 -0.718 -8.109 1.00 0.00 H new ATOM 0 HA SER A 27 -14.695 -2.813 -8.752 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.420 -2.188 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.067 -3.012 -10.237 1.00 0.00 H new ATOM 0 HG SER A 27 -13.377 -4.447 -11.503 1.00 0.00 H new ATOM 369 N ILE A 28 -13.259 -4.370 -7.365 1.00 0.00 N ATOM 370 CA ILE A 28 -12.558 -5.120 -6.331 1.00 0.00 C ATOM 371 C ILE A 28 -11.190 -5.584 -6.820 1.00 0.00 C ATOM 372 O ILE A 28 -11.083 -6.558 -7.566 1.00 0.00 O ATOM 373 CB ILE A 28 -13.371 -6.346 -5.876 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.760 -5.916 -5.399 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.633 -7.092 -4.774 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.711 -7.073 -5.189 1.00 0.00 C ATOM 0 H ILE A 28 -14.091 -4.833 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.429 -4.445 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.492 -7.019 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.660 -5.364 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.190 -5.230 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.220 -7.956 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.665 -7.427 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.484 -6.429 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.676 -6.694 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.841 -7.612 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.303 -7.748 -4.437 1.00 0.00 H new ATOM 388 N CYS A 29 -10.146 -4.882 -6.392 1.00 0.00 N ATOM 389 CA CYS A 29 -8.783 -5.223 -6.786 1.00 0.00 C ATOM 390 C CYS A 29 -8.062 -5.962 -5.663 1.00 0.00 C ATOM 391 O CYS A 29 -7.894 -5.432 -4.565 1.00 0.00 O ATOM 392 CB CYS A 29 -8.008 -3.959 -7.161 1.00 0.00 C ATOM 393 SG CYS A 29 -8.161 -3.488 -8.900 1.00 0.00 S ATOM 0 H CYS A 29 -10.217 -4.074 -5.773 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.835 -5.880 -7.654 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.357 -3.134 -6.540 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.954 -4.109 -6.928 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.079 -2.877 -9.281 1.00 0.00 H new ATOM 399 N ASP A 30 -7.640 -7.189 -5.946 1.00 0.00 N ATOM 400 CA ASP A 30 -6.937 -8.002 -4.961 1.00 0.00 C ATOM 401 C ASP A 30 -5.505 -7.511 -4.771 1.00 0.00 C ATOM 402 O ASP A 30 -4.727 -7.451 -5.724 1.00 0.00 O ATOM 403 CB ASP A 30 -6.932 -9.471 -5.389 1.00 0.00 C ATOM 404 CG ASP A 30 -6.367 -9.666 -6.782 1.00 0.00 C ATOM 405 OD1 ASP A 30 -5.126 -9.698 -6.918 1.00 0.00 O ATOM 406 OD2 ASP A 30 -7.164 -9.784 -7.736 1.00 0.00 O ATOM 0 H ASP A 30 -7.773 -7.643 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.463 -7.910 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.345 -10.052 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.950 -9.860 -5.355 1.00 0.00 H new ATOM 411 N LEU A 31 -5.165 -7.158 -3.536 1.00 0.00 N ATOM 412 CA LEU A 31 -3.827 -6.670 -3.222 1.00 0.00 C ATOM 413 C LEU A 31 -3.031 -7.721 -2.454 1.00 0.00 C ATOM 414 O LEU A 31 -3.156 -7.840 -1.236 1.00 0.00 O ATOM 415 CB LEU A 31 -3.912 -5.380 -2.404 1.00 0.00 C ATOM 416 CG LEU A 31 -2.593 -4.643 -2.174 1.00 0.00 C ATOM 417 CD1 LEU A 31 -2.110 -3.996 -3.464 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.749 -3.598 -1.078 1.00 0.00 C ATOM 0 H LEU A 31 -5.797 -7.201 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.312 -6.464 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.602 -4.701 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.347 -5.617 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.846 -5.369 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.170 -3.476 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.958 -4.765 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.856 -3.283 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.800 -3.083 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.511 -2.876 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.048 -4.086 -0.150 1.00 0.00 H new ATOM 430 N ASN A 32 -2.210 -8.478 -3.175 1.00 0.00 N ATOM 431 CA ASN A 32 -1.392 -9.517 -2.561 1.00 0.00 C ATOM 432 C ASN A 32 -0.175 -8.913 -1.867 1.00 0.00 C ATOM 433 O ASN A 32 0.700 -8.336 -2.515 1.00 0.00 O ATOM 434 CB ASN A 32 -0.941 -10.530 -3.615 1.00 0.00 C ATOM 435 CG ASN A 32 -2.084 -11.393 -4.114 1.00 0.00 C ATOM 436 OD1 ASN A 32 -2.666 -12.170 -3.356 1.00 0.00 O ATOM 437 ND2 ASN A 32 -2.410 -11.261 -5.394 1.00 0.00 N ATOM 0 H ASN A 32 -2.094 -8.391 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.999 -10.027 -1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.495 -10.000 -4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.165 -11.168 -3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.170 -11.816 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.900 -10.604 -5.985 1.00 0.00 H new ATOM 444 N LEU A 33 -0.125 -9.049 -0.547 1.00 0.00 N ATOM 445 CA LEU A 33 0.985 -8.517 0.236 1.00 0.00 C ATOM 446 C LEU A 33 1.770 -9.642 0.902 1.00 0.00 C ATOM 447 O LEU A 33 1.200 -10.488 1.592 1.00 0.00 O ATOM 448 CB LEU A 33 0.466 -7.544 1.297 1.00 0.00 C ATOM 449 CG LEU A 33 0.054 -6.160 0.794 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.965 -5.533 1.733 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.273 -5.260 0.649 1.00 0.00 C ATOM 0 H LEU A 33 -0.840 -9.523 0.004 1.00 0.00 H new ATOM 0 HA LEU A 33 1.653 -7.985 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.393 -8.000 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.239 -7.418 2.055 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.407 -6.273 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.247 -4.549 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.850 -6.168 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.530 -5.433 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.961 -4.279 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.763 -5.153 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.969 -5.702 -0.064 1.00 0.00 H new ATOM 463 N LYS A 34 3.082 -9.645 0.694 1.00 0.00 N ATOM 464 CA LYS A 34 3.948 -10.663 1.276 1.00 0.00 C ATOM 465 C LYS A 34 4.261 -10.342 2.734 1.00 0.00 C ATOM 466 O LYS A 34 5.327 -9.810 3.047 1.00 0.00 O ATOM 467 CB LYS A 34 5.248 -10.775 0.477 1.00 0.00 C ATOM 468 CG LYS A 34 5.159 -11.735 -0.697 1.00 0.00 C ATOM 469 CD LYS A 34 5.370 -13.174 -0.258 1.00 0.00 C ATOM 470 CE LYS A 34 6.846 -13.489 -0.070 1.00 0.00 C ATOM 471 NZ LYS A 34 7.077 -14.941 0.167 1.00 0.00 N ATOM 0 H LYS A 34 3.570 -8.952 0.126 1.00 0.00 H new ATOM 0 HA LYS A 34 3.422 -11.617 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.524 -9.787 0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.047 -11.101 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.184 -11.638 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.907 -11.468 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.837 -13.352 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.945 -13.848 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.400 -13.172 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.235 -12.917 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.095 -15.115 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.569 -15.238 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.729 -15.485 -0.648 1.00 0.00 H new ATOM 485 N ILE A 35 3.328 -10.670 3.621 1.00 0.00 N ATOM 486 CA ILE A 35 3.507 -10.419 5.046 1.00 0.00 C ATOM 487 C ILE A 35 3.883 -11.697 5.787 1.00 0.00 C ATOM 488 O ILE A 35 3.341 -12.773 5.533 1.00 0.00 O ATOM 489 CB ILE A 35 2.233 -9.828 5.678 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.878 -8.496 5.014 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.420 -9.645 7.176 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.399 -8.179 5.045 1.00 0.00 C ATOM 0 H ILE A 35 2.440 -11.110 3.378 1.00 0.00 H new ATOM 0 HA ILE A 35 4.318 -9.696 5.139 1.00 0.00 H new ATOM 0 HB ILE A 35 1.410 -10.524 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.423 -7.694 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.215 -8.515 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.511 -9.226 7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.630 -10.610 7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.254 -8.967 7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.222 -7.221 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.152 -8.960 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.060 -8.127 6.080 1.00 0.00 H new ATOM 504 N PRO A 36 4.832 -11.579 6.727 1.00 0.00 N ATOM 505 CA PRO A 36 5.300 -12.715 7.527 1.00 0.00 C ATOM 506 C PRO A 36 4.245 -13.203 8.514 1.00 0.00 C ATOM 507 O PRO A 36 3.086 -12.794 8.450 1.00 0.00 O ATOM 508 CB PRO A 36 6.509 -12.148 8.274 1.00 0.00 C ATOM 509 CG PRO A 36 6.259 -10.681 8.344 1.00 0.00 C ATOM 510 CD PRO A 36 5.521 -10.327 7.083 1.00 0.00 C ATOM 0 HA PRO A 36 5.532 -13.582 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.598 -12.582 9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.438 -12.366 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.670 -10.427 9.225 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.196 -10.128 8.416 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.815 -9.512 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.203 -10.006 6.295 1.00 0.00 H new ATOM 518 N GLU A 37 4.654 -14.079 9.426 1.00 0.00 N ATOM 519 CA GLU A 37 3.743 -14.622 10.426 1.00 0.00 C ATOM 520 C GLU A 37 2.801 -13.541 10.948 1.00 0.00 C ATOM 521 O GLU A 37 1.684 -13.831 11.379 1.00 0.00 O ATOM 522 CB GLU A 37 4.529 -15.233 11.588 1.00 0.00 C ATOM 523 CG GLU A 37 4.901 -16.690 11.371 1.00 0.00 C ATOM 524 CD GLU A 37 3.743 -17.633 11.635 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.835 -17.710 10.780 1.00 0.00 O ATOM 526 OE2 GLU A 37 3.743 -18.293 12.695 1.00 0.00 O ATOM 0 H GLU A 37 5.610 -14.428 9.493 1.00 0.00 H new ATOM 0 HA GLU A 37 3.147 -15.401 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.439 -14.654 11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.937 -15.150 12.500 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.247 -16.824 10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.733 -16.950 12.025 1.00 0.00 H new ATOM 533 N ILE A 38 3.260 -12.295 10.907 1.00 0.00 N ATOM 534 CA ILE A 38 2.459 -11.170 11.375 1.00 0.00 C ATOM 535 C ILE A 38 0.978 -11.394 11.089 1.00 0.00 C ATOM 536 O ILE A 38 0.543 -11.346 9.939 1.00 0.00 O ATOM 537 CB ILE A 38 2.903 -9.850 10.717 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.282 -9.437 11.234 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.881 -8.755 10.984 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.964 -8.397 10.373 1.00 0.00 C ATOM 0 H ILE A 38 4.182 -12.039 10.555 1.00 0.00 H new ATOM 0 HA ILE A 38 2.613 -11.099 12.452 1.00 0.00 H new ATOM 0 HB ILE A 38 2.970 -10.002 9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.180 -9.048 12.247 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.918 -10.320 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.209 -7.828 10.513 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.916 -9.050 10.572 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.785 -8.601 12.059 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.937 -8.152 10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.099 -8.790 9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.349 -7.498 10.333 1.00 0.00 H new ATOM 552 N ASN A 39 0.207 -11.637 12.145 1.00 0.00 N ATOM 553 CA ASN A 39 -1.227 -11.866 12.008 1.00 0.00 C ATOM 554 C ASN A 39 -1.910 -10.667 11.358 1.00 0.00 C ATOM 555 O ASN A 39 -1.259 -9.682 11.009 1.00 0.00 O ATOM 556 CB ASN A 39 -1.852 -12.145 13.376 1.00 0.00 C ATOM 557 CG ASN A 39 -1.805 -13.615 13.745 1.00 0.00 C ATOM 558 OD1 ASN A 39 -0.874 -14.070 14.411 1.00 0.00 O ATOM 559 ND2 ASN A 39 -2.810 -14.367 13.312 1.00 0.00 N ATOM 0 H ASN A 39 0.551 -11.680 13.104 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.372 -12.735 11.366 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.328 -11.566 14.136 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.888 -11.807 13.375 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.831 -15.364 13.528 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.561 -13.948 12.763 1.00 0.00 H new ATOM 566 N SER A 40 -3.227 -10.757 11.199 1.00 0.00 N ATOM 567 CA SER A 40 -3.999 -9.682 10.589 1.00 0.00 C ATOM 568 C SER A 40 -4.642 -8.802 11.656 1.00 0.00 C ATOM 569 O SER A 40 -4.528 -7.577 11.619 1.00 0.00 O ATOM 570 CB SER A 40 -5.077 -10.257 9.669 1.00 0.00 C ATOM 571 OG SER A 40 -4.583 -11.365 8.935 1.00 0.00 O ATOM 0 H SER A 40 -3.781 -11.564 11.485 1.00 0.00 H new ATOM 0 HA SER A 40 -3.318 -9.069 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.939 -10.564 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.422 -9.485 8.981 1.00 0.00 H new ATOM 0 HG SER A 40 -3.629 -11.237 8.751 1.00 0.00 H new ATOM 577 N SER A 41 -5.320 -9.436 12.608 1.00 0.00 N ATOM 578 CA SER A 41 -5.985 -8.712 13.685 1.00 0.00 C ATOM 579 C SER A 41 -5.079 -7.622 14.248 1.00 0.00 C ATOM 580 O SER A 41 -5.553 -6.634 14.810 1.00 0.00 O ATOM 581 CB SER A 41 -6.395 -9.677 14.799 1.00 0.00 C ATOM 582 OG SER A 41 -7.585 -10.368 14.463 1.00 0.00 O ATOM 0 H SER A 41 -5.423 -10.450 12.655 1.00 0.00 H new ATOM 0 HA SER A 41 -6.878 -8.241 13.275 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.593 -10.393 14.977 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.541 -9.125 15.727 1.00 0.00 H new ATOM 0 HG SER A 41 -7.825 -10.980 15.190 1.00 0.00 H new ATOM 588 N ASP A 42 -3.773 -7.809 14.093 1.00 0.00 N ATOM 589 CA ASP A 42 -2.799 -6.841 14.584 1.00 0.00 C ATOM 590 C ASP A 42 -2.556 -5.743 13.554 1.00 0.00 C ATOM 591 O ASP A 42 -2.353 -4.581 13.907 1.00 0.00 O ATOM 592 CB ASP A 42 -1.481 -7.540 14.923 1.00 0.00 C ATOM 593 CG ASP A 42 -1.449 -8.057 16.347 1.00 0.00 C ATOM 594 OD1 ASP A 42 -1.432 -7.227 17.280 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.443 -9.293 16.529 1.00 0.00 O ATOM 0 H ASP A 42 -3.364 -8.622 13.631 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.202 -6.383 15.487 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.326 -8.371 14.235 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.655 -6.844 14.774 1.00 0.00 H new ATOM 600 N MET A 43 -2.578 -6.119 12.279 1.00 0.00 N ATOM 601 CA MET A 43 -2.361 -5.165 11.198 1.00 0.00 C ATOM 602 C MET A 43 -3.622 -4.349 10.930 1.00 0.00 C ATOM 603 O MET A 43 -4.670 -4.596 11.527 1.00 0.00 O ATOM 604 CB MET A 43 -1.932 -5.895 9.924 1.00 0.00 C ATOM 605 CG MET A 43 -0.531 -6.481 10.001 1.00 0.00 C ATOM 606 SD MET A 43 0.079 -7.036 8.398 1.00 0.00 S ATOM 607 CE MET A 43 -0.780 -8.599 8.231 1.00 0.00 C ATOM 0 H MET A 43 -2.744 -7.077 11.970 1.00 0.00 H new ATOM 0 HA MET A 43 -1.567 -4.483 11.503 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.641 -6.697 9.718 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.981 -5.202 9.084 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.150 -5.732 10.405 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.530 -7.321 10.696 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.894 -8.841 7.174 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.206 -9.384 8.723 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.764 -8.525 8.694 1.00 0.00 H new ATOM 617 N SER A 44 -3.513 -3.377 10.030 1.00 0.00 N ATOM 618 CA SER A 44 -4.643 -2.523 9.688 1.00 0.00 C ATOM 619 C SER A 44 -4.515 -1.998 8.261 1.00 0.00 C ATOM 620 O SER A 44 -3.594 -1.246 7.945 1.00 0.00 O ATOM 621 CB SER A 44 -4.740 -1.351 10.667 1.00 0.00 C ATOM 622 OG SER A 44 -3.644 -0.466 10.513 1.00 0.00 O ATOM 0 H SER A 44 -2.653 -3.162 9.525 1.00 0.00 H new ATOM 0 HA SER A 44 -5.552 -3.121 9.757 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.673 -0.812 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.766 -1.728 11.689 1.00 0.00 H new ATOM 0 HG SER A 44 -3.287 -0.543 9.604 1.00 0.00 H new ATOM 628 N ALA A 45 -5.446 -2.402 7.402 1.00 0.00 N ATOM 629 CA ALA A 45 -5.439 -1.972 6.010 1.00 0.00 C ATOM 630 C ALA A 45 -6.449 -0.855 5.775 1.00 0.00 C ATOM 631 O ALA A 45 -7.646 -1.026 6.013 1.00 0.00 O ATOM 632 CB ALA A 45 -5.730 -3.151 5.092 1.00 0.00 C ATOM 0 H ALA A 45 -6.214 -3.027 7.647 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.447 -1.583 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.722 -2.815 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.968 -3.918 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.709 -3.565 5.331 1.00 0.00 H new ATOM 638 N HIS A 46 -5.961 0.290 5.308 1.00 0.00 N ATOM 639 CA HIS A 46 -6.823 1.436 5.041 1.00 0.00 C ATOM 640 C HIS A 46 -6.324 2.221 3.831 1.00 0.00 C ATOM 641 O HIS A 46 -5.161 2.618 3.773 1.00 0.00 O ATOM 642 CB HIS A 46 -6.885 2.350 6.266 1.00 0.00 C ATOM 643 CG HIS A 46 -7.562 1.724 7.446 1.00 0.00 C ATOM 644 ND1 HIS A 46 -7.007 0.691 8.172 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.755 1.992 8.027 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.830 0.349 9.147 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.898 1.124 9.082 1.00 0.00 N ATOM 0 H HIS A 46 -4.974 0.449 5.107 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.824 1.064 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.871 2.635 6.548 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.412 3.266 5.999 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.462 2.747 7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.659 -0.431 9.874 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.699 1.084 9.713 1.00 0.00 H new ATOM 655 N VAL A 47 -7.212 2.439 2.867 1.00 0.00 N ATOM 656 CA VAL A 47 -6.863 3.176 1.658 1.00 0.00 C ATOM 657 C VAL A 47 -7.006 4.679 1.871 1.00 0.00 C ATOM 658 O VAL A 47 -8.114 5.194 2.021 1.00 0.00 O ATOM 659 CB VAL A 47 -7.742 2.751 0.467 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.406 3.576 -0.766 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.577 1.265 0.187 1.00 0.00 C ATOM 0 H VAL A 47 -8.179 2.116 2.899 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.823 2.941 1.433 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.785 2.935 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.037 3.262 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.581 4.631 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.359 3.427 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.205 0.982 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.534 1.053 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.873 0.694 1.067 1.00 0.00 H new ATOM 671 N THR A 48 -5.876 5.380 1.882 1.00 0.00 N ATOM 672 CA THR A 48 -5.874 6.824 2.076 1.00 0.00 C ATOM 673 C THR A 48 -6.156 7.556 0.769 1.00 0.00 C ATOM 674 O THR A 48 -5.638 7.185 -0.285 1.00 0.00 O ATOM 675 CB THR A 48 -4.529 7.313 2.645 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.208 6.588 3.837 1.00 0.00 O ATOM 677 CG2 THR A 48 -4.579 8.803 2.950 1.00 0.00 C ATOM 0 H THR A 48 -4.950 4.970 1.759 1.00 0.00 H new ATOM 0 HA THR A 48 -6.665 7.047 2.792 1.00 0.00 H new ATOM 0 HB THR A 48 -3.758 7.138 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.293 6.242 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.618 9.125 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.794 9.355 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.361 8.998 3.683 1.00 0.00 H new ATOM 685 N SER A 49 -6.979 8.596 0.843 1.00 0.00 N ATOM 686 CA SER A 49 -7.332 9.378 -0.336 1.00 0.00 C ATOM 687 C SER A 49 -6.371 10.549 -0.519 1.00 0.00 C ATOM 688 O SER A 49 -5.769 11.046 0.433 1.00 0.00 O ATOM 689 CB SER A 49 -8.767 9.895 -0.220 1.00 0.00 C ATOM 690 OG SER A 49 -9.596 8.957 0.444 1.00 0.00 O ATOM 0 H SER A 49 -7.414 8.917 1.708 1.00 0.00 H new ATOM 0 HA SER A 49 -7.256 8.729 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.773 10.840 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.165 10.097 -1.214 1.00 0.00 H new ATOM 0 HG SER A 49 -9.393 8.962 1.403 1.00 0.00 H new ATOM 696 N PRO A 50 -6.223 11.000 -1.773 1.00 0.00 N ATOM 697 CA PRO A 50 -5.337 12.118 -2.113 1.00 0.00 C ATOM 698 C PRO A 50 -5.859 13.451 -1.590 1.00 0.00 C ATOM 699 O PRO A 50 -5.262 14.500 -1.831 1.00 0.00 O ATOM 700 CB PRO A 50 -5.327 12.110 -3.643 1.00 0.00 C ATOM 701 CG PRO A 50 -6.616 11.470 -4.028 1.00 0.00 C ATOM 702 CD PRO A 50 -6.909 10.455 -2.957 1.00 0.00 C ATOM 0 HA PRO A 50 -4.349 12.006 -1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.252 13.121 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.476 11.550 -4.030 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.414 12.209 -4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.539 10.995 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.980 10.348 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.529 9.469 -3.223 1.00 0.00 H new ATOM 710 N SER A 51 -6.977 13.403 -0.873 1.00 0.00 N ATOM 711 CA SER A 51 -7.582 14.609 -0.318 1.00 0.00 C ATOM 712 C SER A 51 -7.362 14.683 1.190 1.00 0.00 C ATOM 713 O SER A 51 -7.130 15.757 1.742 1.00 0.00 O ATOM 714 CB SER A 51 -9.080 14.643 -0.629 1.00 0.00 C ATOM 715 OG SER A 51 -9.735 13.502 -0.103 1.00 0.00 O ATOM 0 H SER A 51 -7.482 12.542 -0.663 1.00 0.00 H new ATOM 0 HA SER A 51 -7.103 15.472 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.522 15.546 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.230 14.688 -1.708 1.00 0.00 H new ATOM 0 HG SER A 51 -10.018 12.919 -0.838 1.00 0.00 H new ATOM 721 N GLY A 52 -7.437 13.531 1.850 1.00 0.00 N ATOM 722 CA GLY A 52 -7.244 13.486 3.287 1.00 0.00 C ATOM 723 C GLY A 52 -8.106 12.434 3.956 1.00 0.00 C ATOM 724 O GLY A 52 -7.809 11.992 5.066 1.00 0.00 O ATOM 0 H GLY A 52 -7.628 12.629 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.195 13.283 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.474 14.463 3.712 1.00 0.00 H new ATOM 728 N ARG A 53 -9.178 12.033 3.280 1.00 0.00 N ATOM 729 CA ARG A 53 -10.088 11.028 3.816 1.00 0.00 C ATOM 730 C ARG A 53 -9.445 9.645 3.793 1.00 0.00 C ATOM 731 O ARG A 53 -8.616 9.348 2.933 1.00 0.00 O ATOM 732 CB ARG A 53 -11.391 11.010 3.016 1.00 0.00 C ATOM 733 CG ARG A 53 -12.394 12.062 3.461 1.00 0.00 C ATOM 734 CD ARG A 53 -11.995 13.450 2.982 1.00 0.00 C ATOM 735 NE ARG A 53 -12.026 13.556 1.526 1.00 0.00 N ATOM 736 CZ ARG A 53 -11.916 14.706 0.871 1.00 0.00 C ATOM 737 NH1 ARG A 53 -11.768 15.842 1.539 1.00 0.00 N ATOM 738 NH2 ARG A 53 -11.954 14.722 -0.455 1.00 0.00 N ATOM 0 H ARG A 53 -9.437 12.389 2.360 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.309 11.290 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.162 11.162 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.848 10.024 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.381 11.812 3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.468 12.059 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.669 14.190 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.993 13.683 3.341 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.138 12.700 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.738 15.834 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.684 16.724 1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.068 13.850 -0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.869 15.606 -0.957 1.00 0.00 H new ATOM 752 N VAL A 54 -9.832 8.801 4.745 1.00 0.00 N ATOM 753 CA VAL A 54 -9.295 7.449 4.833 1.00 0.00 C ATOM 754 C VAL A 54 -10.413 6.421 4.962 1.00 0.00 C ATOM 755 O VAL A 54 -11.346 6.595 5.746 1.00 0.00 O ATOM 756 CB VAL A 54 -8.338 7.303 6.031 1.00 0.00 C ATOM 757 CG1 VAL A 54 -7.771 5.893 6.094 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.220 8.332 5.948 1.00 0.00 C ATOM 0 H VAL A 54 -10.516 9.031 5.466 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.743 7.267 3.911 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.901 7.484 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.097 5.810 6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.586 5.178 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.223 5.680 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.553 8.215 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.658 8.185 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.647 9.335 5.956 1.00 0.00 H new ATOM 768 N THR A 55 -10.313 5.346 4.186 1.00 0.00 N ATOM 769 CA THR A 55 -11.315 4.288 4.212 1.00 0.00 C ATOM 770 C THR A 55 -10.794 3.054 4.938 1.00 0.00 C ATOM 771 O THR A 55 -9.691 3.064 5.484 1.00 0.00 O ATOM 772 CB THR A 55 -11.746 3.888 2.788 1.00 0.00 C ATOM 773 OG1 THR A 55 -10.612 3.432 2.042 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.394 5.062 2.069 1.00 0.00 C ATOM 0 H THR A 55 -9.547 5.185 3.531 1.00 0.00 H new ATOM 0 HA THR A 55 -12.178 4.683 4.748 1.00 0.00 H new ATOM 0 HB THR A 55 -12.476 3.082 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.942 4.145 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.690 4.756 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.274 5.387 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.683 5.885 2.002 1.00 0.00 H new ATOM 782 N GLU A 56 -11.594 1.992 4.941 1.00 0.00 N ATOM 783 CA GLU A 56 -11.211 0.750 5.601 1.00 0.00 C ATOM 784 C GLU A 56 -11.204 -0.413 4.612 1.00 0.00 C ATOM 785 O GLU A 56 -12.095 -0.531 3.771 1.00 0.00 O ATOM 786 CB GLU A 56 -12.167 0.445 6.756 1.00 0.00 C ATOM 787 CG GLU A 56 -11.789 -0.796 7.548 1.00 0.00 C ATOM 788 CD GLU A 56 -12.897 -1.255 8.477 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.214 -0.517 9.433 1.00 0.00 O ATOM 790 OE2 GLU A 56 -13.446 -2.353 8.246 1.00 0.00 O ATOM 0 H GLU A 56 -12.511 1.967 4.494 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.203 0.875 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.194 1.301 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.174 0.320 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.542 -1.602 6.857 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.892 -0.591 8.132 1.00 0.00 H new ATOM 797 N ALA A 57 -10.192 -1.267 4.720 1.00 0.00 N ATOM 798 CA ALA A 57 -10.069 -2.421 3.837 1.00 0.00 C ATOM 799 C ALA A 57 -10.172 -3.725 4.620 1.00 0.00 C ATOM 800 O ALA A 57 -10.045 -3.736 5.844 1.00 0.00 O ATOM 801 CB ALA A 57 -8.754 -2.363 3.074 1.00 0.00 C ATOM 0 H ALA A 57 -9.445 -1.182 5.410 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.892 -2.391 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.675 -3.230 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.720 -1.452 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.923 -2.365 3.780 1.00 0.00 H new ATOM 807 N GLU A 58 -10.403 -4.822 3.906 1.00 0.00 N ATOM 808 CA GLU A 58 -10.524 -6.132 4.537 1.00 0.00 C ATOM 809 C GLU A 58 -9.336 -7.020 4.178 1.00 0.00 C ATOM 810 O GLU A 58 -8.756 -6.892 3.099 1.00 0.00 O ATOM 811 CB GLU A 58 -11.828 -6.808 4.111 1.00 0.00 C ATOM 812 CG GLU A 58 -12.076 -8.140 4.800 1.00 0.00 C ATOM 813 CD GLU A 58 -12.214 -8.001 6.304 1.00 0.00 C ATOM 814 OE1 GLU A 58 -12.911 -7.069 6.753 1.00 0.00 O ATOM 815 OE2 GLU A 58 -11.623 -8.827 7.031 1.00 0.00 O ATOM 0 H GLU A 58 -10.510 -4.830 2.892 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.534 -5.988 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.661 -6.138 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.811 -6.964 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.982 -8.591 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.254 -8.820 4.575 1.00 0.00 H new ATOM 822 N ILE A 59 -8.981 -7.919 5.089 1.00 0.00 N ATOM 823 CA ILE A 59 -7.863 -8.829 4.869 1.00 0.00 C ATOM 824 C ILE A 59 -8.323 -10.283 4.904 1.00 0.00 C ATOM 825 O ILE A 59 -8.769 -10.779 5.938 1.00 0.00 O ATOM 826 CB ILE A 59 -6.757 -8.627 5.921 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.283 -7.172 5.921 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.592 -9.568 5.652 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.668 -6.737 7.233 1.00 0.00 C ATOM 0 H ILE A 59 -9.451 -8.037 5.987 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.460 -8.601 3.882 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.166 -8.857 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.552 -7.036 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.128 -6.523 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.818 -9.413 6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.940 -10.600 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.182 -9.366 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.355 -5.695 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.403 -6.840 8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.802 -7.362 7.454 1.00 0.00 H new ATOM 841 N VAL A 60 -8.209 -10.961 3.766 1.00 0.00 N ATOM 842 CA VAL A 60 -8.610 -12.359 3.667 1.00 0.00 C ATOM 843 C VAL A 60 -7.435 -13.289 3.944 1.00 0.00 C ATOM 844 O VAL A 60 -6.329 -13.101 3.437 1.00 0.00 O ATOM 845 CB VAL A 60 -9.187 -12.680 2.275 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.635 -14.132 2.204 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.339 -11.742 1.946 1.00 0.00 C ATOM 0 H VAL A 60 -7.842 -10.565 2.901 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.382 -12.520 4.419 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.403 -12.530 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.040 -14.340 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.783 -14.785 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.404 -14.313 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.734 -11.983 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.127 -11.858 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.983 -10.712 1.952 1.00 0.00 H new ATOM 857 N PRO A 61 -7.677 -14.319 4.769 1.00 0.00 N ATOM 858 CA PRO A 61 -6.650 -15.300 5.133 1.00 0.00 C ATOM 859 C PRO A 61 -6.269 -16.200 3.962 1.00 0.00 C ATOM 860 O PRO A 61 -7.132 -16.785 3.309 1.00 0.00 O ATOM 861 CB PRO A 61 -7.318 -16.118 6.241 1.00 0.00 C ATOM 862 CG PRO A 61 -8.779 -15.981 5.985 1.00 0.00 C ATOM 863 CD PRO A 61 -8.972 -14.605 5.410 1.00 0.00 C ATOM 0 HA PRO A 61 -5.719 -14.822 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.006 -17.162 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.052 -15.739 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.127 -16.746 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.350 -16.103 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.791 -14.581 4.691 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.207 -13.875 6.185 1.00 0.00 H new ATOM 871 N MET A 62 -4.969 -16.307 3.703 1.00 0.00 N ATOM 872 CA MET A 62 -4.474 -17.138 2.612 1.00 0.00 C ATOM 873 C MET A 62 -3.517 -18.206 3.133 1.00 0.00 C ATOM 874 O MET A 62 -3.827 -19.396 3.109 1.00 0.00 O ATOM 875 CB MET A 62 -3.771 -16.274 1.564 1.00 0.00 C ATOM 876 CG MET A 62 -4.697 -15.291 0.866 1.00 0.00 C ATOM 877 SD MET A 62 -4.188 -14.940 -0.828 1.00 0.00 S ATOM 878 CE MET A 62 -5.286 -16.022 -1.742 1.00 0.00 C ATOM 0 H MET A 62 -4.241 -15.829 4.233 1.00 0.00 H new ATOM 0 HA MET A 62 -5.327 -17.635 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.963 -15.722 2.043 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.314 -16.923 0.817 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.710 -15.693 0.861 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.726 -14.360 1.433 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.093 -15.919 -2.810 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.113 -17.055 -1.440 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.321 -15.751 -1.533 1.00 0.00 H new ATOM 888 N GLY A 63 -2.352 -17.772 3.604 1.00 0.00 N ATOM 889 CA GLY A 63 -1.368 -18.703 4.123 1.00 0.00 C ATOM 890 C GLY A 63 -0.729 -18.215 5.408 1.00 0.00 C ATOM 891 O GLY A 63 -1.073 -17.148 5.915 1.00 0.00 O ATOM 0 H GLY A 63 -2.072 -16.792 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.843 -19.668 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.593 -18.863 3.373 1.00 0.00 H new ATOM 895 N LYS A 64 0.205 -18.998 5.937 1.00 0.00 N ATOM 896 CA LYS A 64 0.895 -18.641 7.171 1.00 0.00 C ATOM 897 C LYS A 64 1.581 -17.285 7.038 1.00 0.00 C ATOM 898 O LYS A 64 1.682 -16.533 8.006 1.00 0.00 O ATOM 899 CB LYS A 64 1.926 -19.713 7.531 1.00 0.00 C ATOM 900 CG LYS A 64 2.979 -19.930 6.458 1.00 0.00 C ATOM 901 CD LYS A 64 4.038 -20.922 6.909 1.00 0.00 C ATOM 902 CE LYS A 64 5.304 -20.803 6.074 1.00 0.00 C ATOM 903 NZ LYS A 64 5.094 -21.274 4.677 1.00 0.00 N ATOM 0 H LYS A 64 0.502 -19.885 5.530 1.00 0.00 H new ATOM 0 HA LYS A 64 0.153 -18.577 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.420 -19.432 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.409 -20.655 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.503 -20.294 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.451 -18.979 6.213 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.276 -20.750 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.645 -21.936 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.634 -19.764 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.101 -21.385 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.980 -21.177 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.804 -22.273 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.352 -20.702 4.226 1.00 0.00 H new ATOM 917 N ASN A 65 2.049 -16.980 5.832 1.00 0.00 N ATOM 918 CA ASN A 65 2.725 -15.713 5.572 1.00 0.00 C ATOM 919 C ASN A 65 2.155 -15.038 4.329 1.00 0.00 C ATOM 920 O ASN A 65 2.871 -14.352 3.599 1.00 0.00 O ATOM 921 CB ASN A 65 4.228 -15.939 5.400 1.00 0.00 C ATOM 922 CG ASN A 65 4.542 -16.902 4.272 1.00 0.00 C ATOM 923 OD1 ASN A 65 3.923 -17.959 4.152 1.00 0.00 O ATOM 924 ND2 ASN A 65 5.509 -16.539 3.437 1.00 0.00 N ATOM 0 H ASN A 65 1.973 -17.592 5.020 1.00 0.00 H new ATOM 0 HA ASN A 65 2.559 -15.058 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.716 -14.984 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.643 -16.326 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.765 -17.146 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.996 -15.653 3.575 1.00 0.00 H new ATOM 931 N SER A 66 0.862 -15.235 4.095 1.00 0.00 N ATOM 932 CA SER A 66 0.196 -14.648 2.938 1.00 0.00 C ATOM 933 C SER A 66 -1.060 -13.892 3.360 1.00 0.00 C ATOM 934 O SER A 66 -1.713 -14.248 4.342 1.00 0.00 O ATOM 935 CB SER A 66 -0.166 -15.735 1.925 1.00 0.00 C ATOM 936 OG SER A 66 0.978 -16.163 1.206 1.00 0.00 O ATOM 0 H SER A 66 0.254 -15.797 4.691 1.00 0.00 H new ATOM 0 HA SER A 66 0.885 -13.943 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.613 -16.584 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.915 -15.354 1.230 1.00 0.00 H new ATOM 0 HG SER A 66 0.721 -16.859 0.566 1.00 0.00 H new ATOM 942 N HIS A 67 -1.394 -12.846 2.611 1.00 0.00 N ATOM 943 CA HIS A 67 -2.572 -12.038 2.906 1.00 0.00 C ATOM 944 C HIS A 67 -3.131 -11.407 1.634 1.00 0.00 C ATOM 945 O HIS A 67 -2.378 -11.022 0.739 1.00 0.00 O ATOM 946 CB HIS A 67 -2.229 -10.949 3.922 1.00 0.00 C ATOM 947 CG HIS A 67 -1.857 -11.483 5.271 1.00 0.00 C ATOM 948 ND1 HIS A 67 -0.689 -11.986 5.733 1.00 0.00 N flip ATOM 949 CD2 HIS A 67 -2.742 -11.542 6.327 1.00 0.00 C flip ATOM 950 CE1 HIS A 67 -0.886 -12.335 7.046 1.00 0.00 C flip ATOM 951 NE2 HIS A 67 -2.133 -12.057 7.380 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.865 -12.538 1.795 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.333 -12.692 3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.403 -10.351 3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.083 -10.281 4.028 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.177 -12.087 5.204 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.772 -11.218 6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.142 -12.767 7.699 1.00 0.00 H new ATOM 959 N CYS A 68 -4.453 -11.305 1.562 1.00 0.00 N ATOM 960 CA CYS A 68 -5.112 -10.722 0.399 1.00 0.00 C ATOM 961 C CYS A 68 -6.092 -9.631 0.819 1.00 0.00 C ATOM 962 O CYS A 68 -7.112 -9.907 1.450 1.00 0.00 O ATOM 963 CB CYS A 68 -5.846 -11.805 -0.394 1.00 0.00 C ATOM 964 SG CYS A 68 -6.778 -11.178 -1.811 1.00 0.00 S ATOM 0 H CYS A 68 -5.090 -11.618 2.295 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.346 -10.274 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.120 -12.538 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.530 -12.329 0.274 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.362 -12.168 -2.419 1.00 0.00 H new ATOM 970 N VAL A 69 -5.773 -8.389 0.466 1.00 0.00 N ATOM 971 CA VAL A 69 -6.625 -7.256 0.808 1.00 0.00 C ATOM 972 C VAL A 69 -7.480 -6.833 -0.382 1.00 0.00 C ATOM 973 O VAL A 69 -6.969 -6.302 -1.368 1.00 0.00 O ATOM 974 CB VAL A 69 -5.791 -6.050 1.281 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.690 -4.983 1.886 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.731 -6.494 2.278 1.00 0.00 C ATOM 0 H VAL A 69 -4.932 -8.143 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.274 -7.581 1.621 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.286 -5.618 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.083 -4.139 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.407 -4.645 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.225 -5.399 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.151 -5.630 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.213 -6.952 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.068 -7.219 1.806 1.00 0.00 H new ATOM 986 N ARG A 70 -8.783 -7.072 -0.281 1.00 0.00 N ATOM 987 CA ARG A 70 -9.710 -6.717 -1.349 1.00 0.00 C ATOM 988 C ARG A 70 -10.445 -5.420 -1.022 1.00 0.00 C ATOM 989 O ARG A 70 -11.105 -5.312 0.011 1.00 0.00 O ATOM 990 CB ARG A 70 -10.718 -7.844 -1.575 1.00 0.00 C ATOM 991 CG ARG A 70 -10.097 -9.116 -2.129 1.00 0.00 C ATOM 992 CD ARG A 70 -11.113 -10.245 -2.207 1.00 0.00 C ATOM 993 NE ARG A 70 -10.705 -11.284 -3.148 1.00 0.00 N ATOM 994 CZ ARG A 70 -11.450 -12.344 -3.441 1.00 0.00 C ATOM 995 NH1 ARG A 70 -12.635 -12.504 -2.868 1.00 0.00 N ATOM 996 NH2 ARG A 70 -11.010 -13.247 -4.308 1.00 0.00 N ATOM 0 H ARG A 70 -9.221 -7.510 0.529 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.133 -6.568 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.212 -8.073 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.489 -7.497 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.691 -8.921 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.262 -9.420 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.245 -10.683 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.080 -9.842 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.798 -11.191 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.976 -11.812 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.205 -13.319 -3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.099 -13.128 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.583 -14.061 -4.532 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.325 -4.438 -1.910 1.00 0.00 N ATOM 1011 CA PHE A 71 -10.977 -3.148 -1.715 1.00 0.00 C ATOM 1012 C PHE A 71 -11.140 -2.415 -3.044 1.00 0.00 C ATOM 1013 O PHE A 71 -10.547 -2.796 -4.053 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.170 -2.287 -0.741 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.730 -2.126 -1.134 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.355 -1.168 -2.062 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.751 -2.932 -0.576 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.030 -1.018 -2.427 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.424 -2.787 -0.937 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.063 -1.828 -1.862 1.00 0.00 C ATOM 0 H PHE A 71 -9.783 -4.511 -2.771 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.967 -3.329 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.631 -1.302 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.219 -2.733 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.106 -0.531 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.028 -3.683 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.751 -0.269 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.671 -3.423 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.027 -1.711 -2.144 1.00 0.00 H new ATOM 1030 N VAL A 72 -11.951 -1.362 -3.036 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.193 -0.574 -4.239 1.00 0.00 C ATOM 1032 C VAL A 72 -11.462 0.763 -4.177 1.00 0.00 C ATOM 1033 O VAL A 72 -11.981 1.759 -3.674 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.697 -0.316 -4.447 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -13.944 0.339 -5.798 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.482 -1.613 -4.322 1.00 0.00 C ATOM 0 H VAL A 72 -12.452 -1.035 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.812 -1.154 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.042 0.367 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.012 0.514 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.412 1.289 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.585 -0.317 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.543 -1.412 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.137 -2.321 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.330 -2.036 -3.329 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.228 0.787 -4.701 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.399 1.996 -4.718 1.00 0.00 C ATOM 1048 C PRO A 73 -9.934 3.052 -5.680 1.00 0.00 C ATOM 1049 O PRO A 73 -9.444 3.189 -6.800 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.036 1.485 -5.191 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.343 0.255 -5.973 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.546 -0.364 -5.317 1.00 0.00 C ATOM 0 HA PRO A 73 -9.372 2.485 -3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.526 2.227 -5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.381 1.265 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.548 0.497 -7.016 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.498 -0.433 -5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.184 -0.868 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.260 -1.107 -4.573 1.00 0.00 H new ATOM 1060 N GLN A 74 -10.942 3.795 -5.234 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.543 4.839 -6.056 1.00 0.00 C ATOM 1062 C GLN A 74 -11.377 6.208 -5.406 1.00 0.00 C ATOM 1063 O GLN A 74 -11.948 6.477 -4.350 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.027 4.546 -6.285 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.745 5.626 -7.078 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.251 5.566 -6.914 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.878 6.528 -6.471 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.841 4.431 -7.273 1.00 0.00 N ATOM 0 H GLN A 74 -11.359 3.694 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.029 4.850 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.124 3.596 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.519 4.428 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.387 6.605 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.494 5.524 -8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.282 3.658 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.852 4.332 -7.186 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.591 7.069 -6.044 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.349 8.411 -5.525 1.00 0.00 C ATOM 1079 C GLU A 75 -10.285 9.429 -6.660 1.00 0.00 C ATOM 1080 O GLU A 75 -10.409 9.076 -7.832 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.048 8.444 -4.721 1.00 0.00 C ATOM 1082 CG GLU A 75 -8.828 7.207 -3.867 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.472 7.320 -2.499 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -10.598 7.854 -2.417 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -8.850 6.876 -1.511 1.00 0.00 O ATOM 0 H GLU A 75 -10.111 6.862 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.179 8.675 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.209 8.555 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.051 9.324 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.232 6.337 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.758 7.038 -3.748 1.00 0.00 H new ATOM 1092 N MET A 76 -10.091 10.694 -6.301 1.00 0.00 N ATOM 1093 CA MET A 76 -10.010 11.764 -7.288 1.00 0.00 C ATOM 1094 C MET A 76 -8.559 12.051 -7.661 1.00 0.00 C ATOM 1095 O MET A 76 -8.256 13.075 -8.273 1.00 0.00 O ATOM 1096 CB MET A 76 -10.672 13.035 -6.751 1.00 0.00 C ATOM 1097 CG MET A 76 -12.184 12.932 -6.641 1.00 0.00 C ATOM 1098 SD MET A 76 -13.028 13.457 -8.146 1.00 0.00 S ATOM 1099 CE MET A 76 -13.480 11.873 -8.850 1.00 0.00 C ATOM 0 H MET A 76 -9.987 11.003 -5.334 1.00 0.00 H new ATOM 0 HA MET A 76 -10.539 11.438 -8.183 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.259 13.263 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.419 13.870 -7.404 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.459 11.901 -6.416 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.526 13.543 -5.805 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.403 11.922 -9.936 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.807 11.102 -8.473 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.505 11.629 -8.569 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.665 11.140 -7.288 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.257 11.315 -7.591 1.00 0.00 C ATOM 1111 C GLY A 77 -5.454 10.049 -7.368 1.00 0.00 C ATOM 1112 O GLY A 77 -5.896 8.955 -7.719 1.00 0.00 O ATOM 0 H GLY A 77 -7.891 10.284 -6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.148 11.632 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.851 12.113 -6.969 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.270 10.196 -6.782 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.403 9.055 -6.512 1.00 0.00 C ATOM 1118 C VAL A 78 -3.904 8.255 -5.315 1.00 0.00 C ATOM 1119 O VAL A 78 -4.403 8.821 -4.342 1.00 0.00 O ATOM 1120 CB VAL A 78 -1.954 9.502 -6.247 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.914 10.574 -5.168 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.092 8.311 -5.858 1.00 0.00 C ATOM 0 H VAL A 78 -3.889 11.094 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.424 8.424 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.551 9.929 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.882 10.877 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.496 11.437 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.335 10.177 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.071 8.645 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.492 7.852 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.095 7.580 -6.667 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.767 6.935 -5.393 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.205 6.056 -4.315 1.00 0.00 C ATOM 1134 C HIS A 79 -3.010 5.513 -3.538 1.00 0.00 C ATOM 1135 O HIS A 79 -1.988 5.152 -4.122 1.00 0.00 O ATOM 1136 CB HIS A 79 -5.033 4.900 -4.875 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.215 5.344 -5.681 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.157 6.373 -6.598 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.490 4.892 -5.706 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.346 6.535 -7.150 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.173 5.648 -6.626 1.00 0.00 N ATOM 0 H HIS A 79 -3.356 6.451 -6.191 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.825 6.639 -3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.394 4.274 -5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.380 4.279 -4.049 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.326 6.923 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.895 4.086 -5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.599 7.268 -7.902 1.00 0.00 H new ATOM 1149 N THR A 80 -3.145 5.456 -2.217 1.00 0.00 N ATOM 1150 CA THR A 80 -2.076 4.959 -1.360 1.00 0.00 C ATOM 1151 C THR A 80 -2.624 4.038 -0.275 1.00 0.00 C ATOM 1152 O THR A 80 -3.557 4.397 0.444 1.00 0.00 O ATOM 1153 CB THR A 80 -1.305 6.115 -0.695 1.00 0.00 C ATOM 1154 OG1 THR A 80 -0.855 7.040 -1.690 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.113 5.589 0.091 1.00 0.00 C ATOM 0 H THR A 80 -3.985 5.748 -1.717 1.00 0.00 H new ATOM 0 HA THR A 80 -1.394 4.398 -1.999 1.00 0.00 H new ATOM 0 HB THR A 80 -1.980 6.623 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.367 7.773 -1.259 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.416 6.423 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.461 4.907 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.561 5.059 -0.582 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.039 2.850 -0.162 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.468 1.879 0.837 1.00 0.00 C ATOM 1165 C VAL A 81 -1.617 1.975 2.098 1.00 0.00 C ATOM 1166 O VAL A 81 -0.440 1.617 2.094 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.393 0.441 0.289 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -3.014 -0.538 1.274 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.076 0.351 -1.067 1.00 0.00 C ATOM 0 H VAL A 81 -1.267 2.537 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.504 2.114 1.083 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.344 0.174 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.952 -1.549 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.476 -0.492 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.059 -0.276 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.013 -0.672 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.123 0.637 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.582 1.023 -1.769 1.00 0.00 H new ATOM 1179 N SER A 82 -2.222 2.461 3.177 1.00 0.00 N ATOM 1180 CA SER A 82 -1.520 2.609 4.447 1.00 0.00 C ATOM 1181 C SER A 82 -1.568 1.311 5.248 1.00 0.00 C ATOM 1182 O SER A 82 -2.593 0.969 5.837 1.00 0.00 O ATOM 1183 CB SER A 82 -2.132 3.748 5.264 1.00 0.00 C ATOM 1184 OG SER A 82 -1.658 5.007 4.817 1.00 0.00 O ATOM 0 H SER A 82 -3.197 2.759 3.197 1.00 0.00 H new ATOM 0 HA SER A 82 -0.478 2.846 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.218 3.715 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.887 3.617 6.318 1.00 0.00 H new ATOM 0 HG SER A 82 -2.065 5.719 5.354 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.450 0.592 5.264 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.362 -0.668 5.993 1.00 0.00 C ATOM 1192 C VAL A 83 0.521 -0.528 7.228 1.00 0.00 C ATOM 1193 O VAL A 83 1.731 -0.326 7.120 1.00 0.00 O ATOM 1194 CB VAL A 83 0.195 -1.795 5.102 1.00 0.00 C ATOM 1195 CG1 VAL A 83 0.149 -3.127 5.834 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.577 -1.869 3.793 1.00 0.00 C ATOM 0 H VAL A 83 0.407 0.860 4.781 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.375 -0.926 6.302 1.00 0.00 H new ATOM 0 HB VAL A 83 1.236 -1.571 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.546 -3.911 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.750 -3.065 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.882 -3.362 6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.171 -2.670 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.628 -2.069 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.486 -0.921 3.263 1.00 0.00 H new ATOM 1206 N LYS A 84 -0.092 -0.638 8.402 1.00 0.00 N ATOM 1207 CA LYS A 84 0.638 -0.526 9.659 1.00 0.00 C ATOM 1208 C LYS A 84 0.514 -1.808 10.476 1.00 0.00 C ATOM 1209 O LYS A 84 -0.386 -2.617 10.247 1.00 0.00 O ATOM 1210 CB LYS A 84 0.115 0.662 10.472 1.00 0.00 C ATOM 1211 CG LYS A 84 0.457 2.011 9.865 1.00 0.00 C ATOM 1212 CD LYS A 84 0.248 3.140 10.861 1.00 0.00 C ATOM 1213 CE LYS A 84 -1.192 3.629 10.855 1.00 0.00 C ATOM 1214 NZ LYS A 84 -2.036 2.880 11.826 1.00 0.00 N ATOM 0 H LYS A 84 -1.093 -0.805 8.509 1.00 0.00 H new ATOM 0 HA LYS A 84 1.691 -0.365 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.968 0.579 10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.527 0.611 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.494 2.008 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.162 2.182 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.513 2.798 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.915 3.967 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.216 4.691 11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.608 3.521 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.951 2.652 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.554 2.000 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.194 3.464 12.672 1.00 0.00 H new ATOM 1228 N TYR A 85 1.421 -1.986 11.430 1.00 0.00 N ATOM 1229 CA TYR A 85 1.414 -3.170 12.280 1.00 0.00 C ATOM 1230 C TYR A 85 1.530 -2.785 13.752 1.00 0.00 C ATOM 1231 O TYR A 85 2.626 -2.541 14.257 1.00 0.00 O ATOM 1232 CB TYR A 85 2.560 -4.108 11.895 1.00 0.00 C ATOM 1233 CG TYR A 85 2.893 -5.127 12.961 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.915 -5.971 13.472 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.185 -5.244 13.459 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.215 -6.904 14.447 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.494 -6.174 14.432 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.505 -7.001 14.923 1.00 0.00 C ATOM 1239 OH TYR A 85 3.809 -7.928 15.894 1.00 0.00 O ATOM 0 H TYR A 85 2.171 -1.325 11.634 1.00 0.00 H new ATOM 0 HA TYR A 85 0.466 -3.686 12.132 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.297 -4.630 10.975 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.449 -3.514 11.682 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.903 -5.897 13.101 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.961 -4.596 13.078 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.443 -7.553 14.833 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.504 -6.253 14.806 1.00 0.00 H new ATOM 0 HH TYR A 85 4.761 -7.867 16.118 1.00 0.00 H new ATOM 1249 N ARG A 86 0.391 -2.734 14.435 1.00 0.00 N ATOM 1250 CA ARG A 86 0.363 -2.378 15.848 1.00 0.00 C ATOM 1251 C ARG A 86 0.931 -0.979 16.068 1.00 0.00 C ATOM 1252 O ARG A 86 1.565 -0.709 17.087 1.00 0.00 O ATOM 1253 CB ARG A 86 1.156 -3.397 16.668 1.00 0.00 C ATOM 1254 CG ARG A 86 0.668 -4.827 16.500 1.00 0.00 C ATOM 1255 CD ARG A 86 1.418 -5.783 17.415 1.00 0.00 C ATOM 1256 NE ARG A 86 2.866 -5.626 17.301 1.00 0.00 N ATOM 1257 CZ ARG A 86 3.721 -5.994 18.248 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.277 -6.537 19.373 1.00 0.00 N ATOM 1259 NH2 ARG A 86 5.025 -5.819 18.071 1.00 0.00 N ATOM 0 H ARG A 86 -0.524 -2.935 14.032 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.676 -2.385 16.178 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.206 -3.344 16.380 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.101 -3.125 17.722 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.399 -4.876 16.717 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.797 -5.137 15.463 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.115 -5.610 18.447 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.144 -6.809 17.170 1.00 0.00 H new ATOM 0 HE ARG A 86 3.241 -5.211 16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.276 -6.673 19.513 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.937 -6.819 20.098 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.371 -5.402 17.207 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.681 -6.102 18.799 1.00 0.00 H new ATOM 1273 N GLY A 87 0.699 -0.093 15.104 1.00 0.00 N ATOM 1274 CA GLY A 87 1.195 1.266 15.211 1.00 0.00 C ATOM 1275 C GLY A 87 2.597 1.418 14.656 1.00 0.00 C ATOM 1276 O GLY A 87 3.488 1.928 15.334 1.00 0.00 O ATOM 0 H GLY A 87 0.176 -0.293 14.251 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.522 1.938 14.678 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.187 1.571 16.257 1.00 0.00 H new ATOM 1280 N GLN A 88 2.793 0.971 13.419 1.00 0.00 N ATOM 1281 CA GLN A 88 4.098 1.058 12.775 1.00 0.00 C ATOM 1282 C GLN A 88 3.993 0.738 11.287 1.00 0.00 C ATOM 1283 O GLN A 88 3.476 -0.311 10.902 1.00 0.00 O ATOM 1284 CB GLN A 88 5.086 0.101 13.445 1.00 0.00 C ATOM 1285 CG GLN A 88 5.042 -1.311 12.883 1.00 0.00 C ATOM 1286 CD GLN A 88 5.661 -2.331 13.819 1.00 0.00 C ATOM 1287 OE1 GLN A 88 6.618 -3.018 13.461 1.00 0.00 O ATOM 1288 NE2 GLN A 88 5.117 -2.435 15.025 1.00 0.00 N ATOM 0 H GLN A 88 2.066 0.546 12.844 1.00 0.00 H new ATOM 0 HA GLN A 88 4.461 2.080 12.884 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.095 0.497 13.332 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.875 0.064 14.514 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.006 -1.587 12.685 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.567 -1.334 11.928 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.325 -1.845 15.280 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.491 -3.104 15.697 1.00 0.00 H new ATOM 1297 N HIS A 89 4.486 1.650 10.455 1.00 0.00 N ATOM 1298 CA HIS A 89 4.448 1.465 9.008 1.00 0.00 C ATOM 1299 C HIS A 89 5.361 0.320 8.582 1.00 0.00 C ATOM 1300 O HIS A 89 6.559 0.329 8.867 1.00 0.00 O ATOM 1301 CB HIS A 89 4.860 2.754 8.297 1.00 0.00 C ATOM 1302 CG HIS A 89 3.738 3.731 8.129 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.623 3.472 7.360 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.562 4.973 8.638 1.00 0.00 C ATOM 1305 CE1 HIS A 89 1.810 4.513 7.402 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.357 5.437 8.171 1.00 0.00 N ATOM 0 H HIS A 89 4.916 2.524 10.757 1.00 0.00 H new ATOM 0 HA HIS A 89 3.426 1.214 8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.663 3.229 8.861 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.264 2.505 7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.243 5.501 9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.860 4.594 6.894 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.950 6.348 8.384 1.00 0.00 H new ATOM 1314 N VAL A 90 4.788 -0.666 7.899 1.00 0.00 N ATOM 1315 CA VAL A 90 5.550 -1.818 7.434 1.00 0.00 C ATOM 1316 C VAL A 90 6.521 -1.423 6.326 1.00 0.00 C ATOM 1317 O VAL A 90 6.575 -0.263 5.916 1.00 0.00 O ATOM 1318 CB VAL A 90 4.623 -2.933 6.915 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.719 -3.437 8.030 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.801 -2.436 5.735 1.00 0.00 C ATOM 0 H VAL A 90 3.798 -0.690 7.655 1.00 0.00 H new ATOM 0 HA VAL A 90 6.111 -2.192 8.290 1.00 0.00 H new ATOM 0 HB VAL A 90 5.239 -3.765 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.071 -4.224 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.329 -3.833 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.109 -2.615 8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.152 -3.237 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.193 -1.587 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.469 -2.128 4.930 1.00 0.00 H new ATOM 1330 N THR A 91 7.287 -2.397 5.844 1.00 0.00 N ATOM 1331 CA THR A 91 8.257 -2.152 4.784 1.00 0.00 C ATOM 1332 C THR A 91 7.605 -1.461 3.592 1.00 0.00 C ATOM 1333 O THR A 91 6.485 -1.792 3.206 1.00 0.00 O ATOM 1334 CB THR A 91 8.913 -3.462 4.309 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.424 -4.190 5.431 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.039 -3.179 3.326 1.00 0.00 C ATOM 0 H THR A 91 7.254 -3.363 6.171 1.00 0.00 H new ATOM 0 HA THR A 91 9.025 -1.501 5.202 1.00 0.00 H new ATOM 0 HB THR A 91 8.154 -4.060 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.838 -5.022 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.487 -4.120 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.641 -2.652 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.797 -2.562 3.809 1.00 0.00 H new ATOM 1344 N GLY A 92 8.316 -0.500 3.010 1.00 0.00 N ATOM 1345 CA GLY A 92 7.790 0.222 1.866 1.00 0.00 C ATOM 1346 C GLY A 92 6.362 0.684 2.078 1.00 0.00 C ATOM 1347 O GLY A 92 5.533 0.599 1.172 1.00 0.00 O ATOM 0 H GLY A 92 9.246 -0.209 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.422 1.087 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.834 -0.418 0.985 1.00 0.00 H new ATOM 1351 N SER A 93 6.072 1.173 3.280 1.00 0.00 N ATOM 1352 CA SER A 93 4.733 1.645 3.610 1.00 0.00 C ATOM 1353 C SER A 93 4.758 3.117 4.010 1.00 0.00 C ATOM 1354 O SER A 93 5.686 3.592 4.666 1.00 0.00 O ATOM 1355 CB SER A 93 4.139 0.807 4.745 1.00 0.00 C ATOM 1356 OG SER A 93 2.729 0.723 4.632 1.00 0.00 O ATOM 0 H SER A 93 6.747 1.252 4.041 1.00 0.00 H new ATOM 0 HA SER A 93 4.109 1.538 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.569 -0.194 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.404 1.249 5.705 1.00 0.00 H new ATOM 0 HG SER A 93 2.356 0.352 5.459 1.00 0.00 H new ATOM 1362 N PRO A 94 3.715 3.857 3.606 1.00 0.00 N ATOM 1363 CA PRO A 94 2.606 3.302 2.825 1.00 0.00 C ATOM 1364 C PRO A 94 3.023 2.938 1.404 1.00 0.00 C ATOM 1365 O PRO A 94 4.169 3.151 1.009 1.00 0.00 O ATOM 1366 CB PRO A 94 1.582 4.440 2.806 1.00 0.00 C ATOM 1367 CG PRO A 94 2.388 5.679 2.994 1.00 0.00 C ATOM 1368 CD PRO A 94 3.539 5.293 3.881 1.00 0.00 C ATOM 0 HA PRO A 94 2.227 2.376 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.034 4.464 1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.845 4.323 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.744 6.062 2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.790 6.468 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.438 5.861 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.316 5.476 4.932 1.00 0.00 H new ATOM 1376 N PHE A 95 2.085 2.387 0.640 1.00 0.00 N ATOM 1377 CA PHE A 95 2.356 1.993 -0.737 1.00 0.00 C ATOM 1378 C PHE A 95 1.596 2.881 -1.717 1.00 0.00 C ATOM 1379 O PHE A 95 0.370 2.820 -1.804 1.00 0.00 O ATOM 1380 CB PHE A 95 1.971 0.528 -0.955 1.00 0.00 C ATOM 1381 CG PHE A 95 2.677 -0.422 -0.030 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.959 -0.862 -0.315 1.00 0.00 C ATOM 1383 CD2 PHE A 95 2.058 -0.874 1.124 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.612 -1.736 0.534 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.706 -1.747 1.977 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.984 -2.180 1.681 1.00 0.00 C ATOM 0 H PHE A 95 1.131 2.204 0.951 1.00 0.00 H new ATOM 0 HA PHE A 95 3.424 2.113 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.895 0.420 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.194 0.252 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.454 -0.518 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.058 -0.540 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.612 -2.071 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.214 -2.091 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.491 -2.864 2.345 1.00 0.00 H new ATOM 1396 N GLN A 96 2.333 3.707 -2.452 1.00 0.00 N ATOM 1397 CA GLN A 96 1.729 4.610 -3.425 1.00 0.00 C ATOM 1398 C GLN A 96 1.536 3.913 -4.768 1.00 0.00 C ATOM 1399 O GLN A 96 2.434 3.227 -5.257 1.00 0.00 O ATOM 1400 CB GLN A 96 2.597 5.856 -3.604 1.00 0.00 C ATOM 1401 CG GLN A 96 1.803 7.106 -3.948 1.00 0.00 C ATOM 1402 CD GLN A 96 2.612 8.110 -4.745 1.00 0.00 C ATOM 1403 OE1 GLN A 96 2.843 7.930 -5.941 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.048 9.177 -4.085 1.00 0.00 N ATOM 0 H GLN A 96 3.349 3.770 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 96 0.751 4.909 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.158 6.033 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.326 5.670 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.918 6.824 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.454 7.575 -3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.833 9.286 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.597 9.887 -4.569 1.00 0.00 H new ATOM 1413 N PHE A 97 0.360 4.093 -5.359 1.00 0.00 N ATOM 1414 CA PHE A 97 0.049 3.481 -6.646 1.00 0.00 C ATOM 1415 C PHE A 97 -1.024 4.278 -7.382 1.00 0.00 C ATOM 1416 O PHE A 97 -1.984 4.757 -6.778 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.418 2.037 -6.447 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.816 1.928 -5.909 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -2.052 1.971 -4.544 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.894 1.784 -6.767 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.337 1.870 -4.046 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.182 1.683 -6.275 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.404 1.727 -4.912 1.00 0.00 C ATOM 0 H PHE A 97 -0.394 4.658 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 97 0.956 3.483 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.362 1.511 -7.400 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.266 1.533 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.222 2.085 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.726 1.750 -7.833 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.507 1.903 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.013 1.570 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.409 1.650 -4.524 1.00 0.00 H new ATOM 1433 N THR A 98 -0.854 4.416 -8.694 1.00 0.00 N ATOM 1434 CA THR A 98 -1.805 5.156 -9.514 1.00 0.00 C ATOM 1435 C THR A 98 -2.845 4.224 -10.125 1.00 0.00 C ATOM 1436 O THR A 98 -2.544 3.080 -10.465 1.00 0.00 O ATOM 1437 CB THR A 98 -1.093 5.925 -10.644 1.00 0.00 C ATOM 1438 OG1 THR A 98 0.044 6.621 -10.122 1.00 0.00 O ATOM 1439 CG2 THR A 98 -2.041 6.914 -11.305 1.00 0.00 C ATOM 0 H THR A 98 -0.066 4.025 -9.211 1.00 0.00 H new ATOM 0 HA THR A 98 -2.302 5.869 -8.857 1.00 0.00 H new ATOM 0 HB THR A 98 -0.764 5.205 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.492 7.106 -10.847 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.517 7.445 -12.099 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.891 6.377 -11.727 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.396 7.629 -10.563 1.00 0.00 H new ATOM 1447 N VAL A 99 -4.070 4.721 -10.263 1.00 0.00 N ATOM 1448 CA VAL A 99 -5.155 3.933 -10.835 1.00 0.00 C ATOM 1449 C VAL A 99 -5.687 4.577 -12.111 1.00 0.00 C ATOM 1450 O VAL A 99 -5.457 5.758 -12.366 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.314 3.765 -9.835 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.352 2.795 -10.380 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.790 3.296 -8.487 1.00 0.00 C ATOM 0 H VAL A 99 -4.336 5.666 -9.986 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.744 2.951 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.794 4.733 -9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.164 2.688 -9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.749 3.177 -11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.888 1.823 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.622 3.183 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.284 2.338 -8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.087 4.031 -8.094 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.402 3.790 -12.910 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.958 4.301 -14.150 1.00 0.00 C ATOM 1465 C GLY A 100 -8.140 3.485 -14.635 1.00 0.00 C ATOM 1466 O GLY A 100 -8.199 2.269 -14.452 1.00 0.00 O ATOM 0 H GLY A 100 -6.606 2.809 -12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.269 5.336 -14.006 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.184 4.305 -14.917 1.00 0.00 H new