USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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: 1 117 ASN :FLIP amide:sc= -11.9! C(o=-16!,f=-15!) USER MOD Set 1.2: 1 119 THR OG1 : rot -130:sc= -2.69! USER MOD Set 2.1: 1 87 ASN : amide:sc= -7.53! C(o=-7.7!,f=-13!) USER MOD Set 2.2: 1 109 THR OG1 : rot 164:sc= 0.535 USER MOD Set 2.3: 1 110 THR OG1 : rot -166:sc= -0.729 USER MOD Set 3.1: 1 49 THR OG1 : rot 171:sc= -2.23! USER MOD Set 3.2: 1 53 ASN : amide:sc= -4.75! C(o=-6.7!,f=-8.5!) USER MOD Set 3.3: 1 98 SER OG : rot -77:sc= 0.286 USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 147:sc= -7.19! USER MOD Single : 1 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 30 GLN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : 1 31 LYS NZ :NH3+ 170:sc= -0.586 (180deg=-0.841) USER MOD Single : 1 33 ASN :FLIP amide:sc= -2.39 F(o=-3.3,f=-2.4) USER MOD Single : 1 37 GLN : amide:sc= -15.1! C(o=-15!,f=-20!) USER MOD Single : 1 40 ASN : amide:sc= -5.92! C(o=-5.9!,f=-8.1!) USER MOD Single : 1 41 ASN :FLIP amide:sc= -4.89! C(o=-15!,f=-4.9!) USER MOD Single : 1 46 THR OG1 : rot -82:sc= 0.0866 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 65 SER OG : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 80 TYR OH : rot 180:sc= -1.19 USER MOD Single : 1 84 ASN : amide:sc= -5.66! C(o=-5.7!,f=-9!) USER MOD Single : 1 86 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : 1 89 LYS NZ :NH3+ 142:sc= -1.32 (180deg=-3.47!) USER MOD Single : 1 90 SER OG : rot 180:sc= 0 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 96 LYS NZ :NH3+ -168:sc= -0.0125 (180deg=-0.164) USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.5!) USER MOD Single : 1 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 113 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : 1 118 THR OG1 : rot -45:sc= -0.106 USER MOD Single : 1 120 SER OG : rot 30:sc= 1.26 USER MOD Single : 1 121 LYS NZ :NH3+ 164:sc= -0.0293 (180deg=-0.222) USER MOD Single : 1 123 ASN : amide:sc= -17.6! C(o=-18!,f=-18!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ 166:sc= 0.0814 (180deg=0.0429) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 9.946 -0.185 -3.873 1.00 0.00 N ATOM 321 CA LYS 1 22 10.389 -1.562 -3.716 1.00 0.00 C ATOM 322 C LYS 1 22 9.228 -2.486 -3.340 1.00 0.00 C ATOM 323 O LYS 1 22 8.126 -2.032 -3.030 1.00 0.00 O ATOM 324 CB LYS 1 22 11.514 -1.648 -2.693 1.00 0.00 C ATOM 325 CG LYS 1 22 12.857 -2.003 -3.317 1.00 0.00 C ATOM 326 CD LYS 1 22 13.967 -2.066 -2.282 1.00 0.00 C ATOM 327 CE LYS 1 22 15.318 -2.318 -2.933 1.00 0.00 C ATOM 328 NZ LYS 1 22 16.227 -3.099 -2.050 1.00 0.00 N ATOM 0 HA LYS 1 22 10.774 -1.902 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.601 -0.693 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.259 -2.396 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 12.778 -2.965 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.111 -1.263 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 13.999 -1.131 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 13.753 -2.858 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 15.174 -2.855 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 15.784 -1.364 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 17.136 -3.248 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 16.386 -2.576 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 15.795 -4.020 -1.834 1.00 0.00 H new ATOM 342 N ILE 1 23 9.477 -3.786 -3.440 1.00 0.00 N ATOM 343 CA ILE 1 23 8.474 -4.807 -3.194 1.00 0.00 C ATOM 344 C ILE 1 23 8.081 -5.009 -1.727 1.00 0.00 C ATOM 345 O ILE 1 23 8.874 -4.819 -0.804 1.00 0.00 O ATOM 346 CB ILE 1 23 8.973 -6.144 -3.789 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.078 -6.534 -4.946 1.00 0.00 C ATOM 348 CG2 ILE 1 23 9.039 -7.258 -2.749 1.00 0.00 C ATOM 349 CD1 ILE 1 23 8.831 -6.834 -6.224 1.00 0.00 C ATOM 0 H ILE 1 23 10.390 -4.161 -3.697 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.564 -4.454 -3.679 1.00 0.00 H new ATOM 0 HB ILE 1 23 9.994 -6.000 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.496 -7.411 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.369 -5.727 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.395 -8.174 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.723 -6.970 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 8.046 -7.426 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.124 -7.106 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.392 -5.951 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.520 -7.661 -6.055 1.00 0.00 H new ATOM 361 N TYR 1 24 6.833 -5.465 -1.569 1.00 0.00 N ATOM 362 CA TYR 1 24 6.226 -5.797 -0.297 1.00 0.00 C ATOM 363 C TYR 1 24 6.174 -7.312 -0.225 1.00 0.00 C ATOM 364 O TYR 1 24 6.409 -7.977 -1.229 1.00 0.00 O ATOM 365 CB TYR 1 24 4.790 -5.304 -0.262 1.00 0.00 C ATOM 366 CG TYR 1 24 4.531 -3.975 0.402 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.933 -2.782 -0.176 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.840 -3.921 1.600 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.658 -1.574 0.433 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.553 -2.723 2.209 1.00 0.00 C ATOM 371 CZ TYR 1 24 3.965 -1.553 1.624 1.00 0.00 C ATOM 372 OH TYR 1 24 3.667 -0.357 2.223 1.00 0.00 O ATOM 0 H TYR 1 24 6.204 -5.615 -2.358 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.792 -5.348 0.519 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.429 -5.244 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.187 -6.057 0.245 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.468 -2.797 -1.114 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.519 -4.841 2.067 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 4.984 -0.650 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 3.007 -2.703 3.141 1.00 0.00 H new ATOM 0 HH TYR 1 24 2.808 -0.430 2.690 1.00 0.00 H new ATOM 382 N LYS 1 25 5.829 -7.866 0.915 1.00 0.00 N ATOM 383 CA LYS 1 25 5.712 -9.312 1.016 1.00 0.00 C ATOM 384 C LYS 1 25 4.282 -9.722 1.353 1.00 0.00 C ATOM 385 O LYS 1 25 3.816 -9.518 2.464 1.00 0.00 O ATOM 386 CB LYS 1 25 6.669 -9.857 2.050 1.00 0.00 C ATOM 387 CG LYS 1 25 8.095 -9.994 1.536 1.00 0.00 C ATOM 388 CD LYS 1 25 8.962 -10.816 2.478 1.00 0.00 C ATOM 389 CE LYS 1 25 10.246 -11.272 1.806 1.00 0.00 C ATOM 390 NZ LYS 1 25 11.232 -11.788 2.794 1.00 0.00 N ATOM 0 H LYS 1 25 5.627 -7.353 1.773 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.971 -9.735 0.046 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.665 -9.201 2.920 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.315 -10.832 2.384 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.083 -10.463 0.552 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.533 -9.003 1.411 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 9.204 -10.223 3.360 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 8.402 -11.686 2.822 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 10.019 -12.051 1.078 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 10.684 -10.439 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 12.095 -12.090 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 11.468 -11.037 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 10.823 -12.598 3.302 1.00 0.00 H new ATOM 404 N VAL 1 26 3.580 -10.316 0.412 1.00 0.00 N ATOM 405 CA VAL 1 26 2.230 -10.735 0.680 1.00 0.00 C ATOM 406 C VAL 1 26 2.243 -12.039 1.432 1.00 0.00 C ATOM 407 O VAL 1 26 2.104 -13.124 0.865 1.00 0.00 O ATOM 408 CB VAL 1 26 1.357 -10.836 -0.564 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.084 -10.112 -0.278 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.039 -10.239 -1.767 1.00 0.00 C ATOM 0 H VAL 1 26 3.918 -10.515 -0.529 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.776 -9.956 1.292 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.166 -11.884 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.568 -10.164 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.413 -10.574 0.575 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.302 -9.069 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.388 -10.328 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.252 -9.186 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 2.972 -10.769 -1.957 1.00 0.00 H new ATOM 420 N ASP 1 27 2.453 -11.881 2.719 1.00 0.00 N ATOM 421 CA ASP 1 27 2.542 -12.996 3.657 1.00 0.00 C ATOM 422 C ASP 1 27 1.170 -13.524 4.029 1.00 0.00 C ATOM 423 O ASP 1 27 1.023 -14.697 4.375 1.00 0.00 O ATOM 424 CB ASP 1 27 3.344 -12.580 4.903 1.00 0.00 C ATOM 425 CG ASP 1 27 4.835 -12.665 4.648 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.411 -13.754 4.847 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.426 -11.642 4.243 1.00 0.00 O ATOM 0 H ASP 1 27 2.569 -10.967 3.157 1.00 0.00 H new ATOM 0 HA ASP 1 27 3.071 -13.813 3.166 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.078 -11.562 5.187 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.078 -13.224 5.741 1.00 0.00 H new ATOM 432 N ASP 1 28 0.163 -12.667 3.955 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.189 -13.086 4.287 1.00 0.00 C ATOM 434 C ASP 1 28 -2.210 -11.981 4.058 1.00 0.00 C ATOM 435 O ASP 1 28 -2.169 -10.935 4.702 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.245 -13.533 5.744 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.368 -14.516 6.006 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -2.671 -15.327 5.105 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.946 -14.475 7.113 1.00 0.00 O ATOM 0 H ASP 1 28 0.254 -11.691 3.672 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.444 -13.914 3.625 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.294 -13.991 6.017 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.374 -12.660 6.384 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.157 -12.242 3.168 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.213 -11.294 2.897 1.00 0.00 C ATOM 446 C LEU 1 29 -5.556 -11.998 2.878 1.00 0.00 C ATOM 447 O LEU 1 29 -5.689 -13.093 2.340 1.00 0.00 O ATOM 448 CB LEU 1 29 -3.985 -10.521 1.620 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.180 -10.506 0.695 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.329 -9.161 0.035 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.048 -11.631 -0.291 1.00 0.00 C ATOM 0 H LEU 1 29 -3.210 -13.104 2.625 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.209 -10.562 3.704 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.718 -9.494 1.870 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.134 -10.952 1.092 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.097 -10.664 1.263 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.196 -9.174 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.466 -8.395 0.798 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.433 -8.939 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -5.906 -11.628 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.133 -11.502 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.009 -12.580 0.243 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.527 -11.350 3.495 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.882 -11.869 3.630 1.00 0.00 C ATOM 465 C GLN 1 30 -8.933 -10.872 3.206 1.00 0.00 C ATOM 466 O GLN 1 30 -8.693 -9.670 3.205 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.145 -12.214 5.105 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.068 -13.693 5.418 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.759 -14.279 4.973 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -5.913 -14.655 5.786 1.00 0.00 O ATOM 471 NE2 GLN 1 30 -6.591 -14.364 3.668 1.00 0.00 N ATOM 0 H GLN 1 30 -6.398 -10.434 3.924 1.00 0.00 H new ATOM 0 HA GLN 1 30 -7.951 -12.744 2.983 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.422 -11.684 5.725 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.133 -11.846 5.382 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.192 -13.847 6.490 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.888 -14.214 4.925 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -7.323 -14.038 3.037 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.729 -14.756 3.289 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.134 -11.366 2.920 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.203 -10.472 2.611 1.00 0.00 C ATOM 482 C LYS 1 31 -11.523 -9.803 3.942 1.00 0.00 C ATOM 483 O LYS 1 31 -12.023 -10.443 4.867 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.389 -11.220 2.031 1.00 0.00 C ATOM 485 CG LYS 1 31 -12.876 -10.589 0.752 1.00 0.00 C ATOM 486 CD LYS 1 31 -13.106 -9.105 0.933 1.00 0.00 C ATOM 487 CE LYS 1 31 -14.541 -8.824 1.325 1.00 0.00 C ATOM 488 NZ LYS 1 31 -14.743 -8.941 2.794 1.00 0.00 N ATOM 0 H LYS 1 31 -10.371 -12.358 2.900 1.00 0.00 H new ATOM 0 HA LYS 1 31 -10.941 -9.739 1.848 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.108 -12.256 1.842 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.200 -11.238 2.760 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -12.145 -10.753 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -13.802 -11.068 0.436 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.433 -8.720 1.699 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -12.868 -8.581 0.007 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -14.818 -7.822 0.998 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -15.202 -9.521 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -15.686 -8.580 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -14.668 -9.939 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -14.017 -8.386 3.290 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.069 -8.569 4.079 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.132 -7.871 5.353 1.00 0.00 C ATOM 504 C ILE 1 32 -11.851 -6.525 5.299 1.00 0.00 C ATOM 505 O ILE 1 32 -11.480 -5.633 4.540 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.661 -7.721 5.784 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -9.024 -9.112 5.746 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.467 -7.053 7.129 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.116 -9.409 6.888 1.00 0.00 C ATOM 0 H ILE 1 32 -10.652 -8.028 3.322 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.729 -8.436 6.068 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.169 -7.044 5.085 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.817 -9.860 5.725 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.464 -9.215 4.817 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.402 -6.989 7.353 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -9.893 -6.050 7.102 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.966 -7.639 7.901 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.711 -10.415 6.778 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.299 -8.688 6.900 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.673 -9.342 7.823 1.00 0.00 H new ATOM 521 N ASN 1 33 -12.884 -6.388 6.130 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.661 -5.159 6.199 1.00 0.00 C ATOM 523 C ASN 1 33 -14.279 -4.843 4.845 1.00 0.00 C ATOM 524 O ASN 1 33 -14.357 -3.683 4.437 1.00 0.00 O ATOM 525 CB ASN 1 33 -12.775 -4.003 6.659 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.555 -4.008 8.158 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -12.038 -5.115 8.678 1.00 0.00 O flip ATOM 528 ND2 ASN 1 33 -12.842 -3.026 8.842 1.00 0.00 N flip ATOM 0 H ASN 1 33 -13.200 -7.120 6.766 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.465 -5.296 6.922 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -11.812 -4.063 6.153 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.232 -3.058 6.364 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -13.237 -2.195 8.401 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -12.684 -3.043 9.850 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.711 -5.889 4.151 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.306 -5.722 2.847 1.00 0.00 C ATOM 537 C GLY 1 34 -14.272 -5.425 1.777 1.00 0.00 C ATOM 538 O GLY 1 34 -14.618 -5.177 0.622 1.00 0.00 O ATOM 0 H GLY 1 34 -14.657 -6.855 4.475 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.852 -6.627 2.580 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.032 -4.910 2.883 1.00 0.00 H new ATOM 542 N ILE 1 35 -12.999 -5.438 2.167 1.00 0.00 N ATOM 543 CA ILE 1 35 -11.912 -5.158 1.257 1.00 0.00 C ATOM 544 C ILE 1 35 -10.761 -6.121 1.510 1.00 0.00 C ATOM 545 O ILE 1 35 -10.420 -6.397 2.656 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.398 -3.714 1.444 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.103 -3.032 2.623 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.588 -2.907 0.167 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.180 -2.205 3.484 1.00 0.00 C ATOM 0 H ILE 1 35 -12.702 -5.643 3.121 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.286 -5.278 0.240 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.332 -3.760 1.666 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -12.898 -2.393 2.239 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.577 -3.794 3.242 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.220 -1.893 0.319 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -11.033 -3.376 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.647 -2.874 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -11.748 -1.753 4.297 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.399 -2.843 3.898 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -10.725 -1.420 2.880 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.141 -6.616 0.450 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.023 -7.533 0.609 1.00 0.00 C ATOM 563 C TRP 1 36 -7.911 -6.838 1.399 1.00 0.00 C ATOM 564 O TRP 1 36 -7.548 -5.709 1.085 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.518 -7.981 -0.763 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.422 -8.982 -1.416 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.200 -8.790 -2.523 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -9.660 -10.328 -0.989 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -10.902 -9.935 -2.810 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.588 -10.892 -1.883 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.177 -11.111 0.064 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.043 -12.202 -1.756 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -9.630 -12.410 0.189 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -10.555 -12.944 -0.717 1.00 0.00 C ATOM 0 H TRP 1 36 -10.388 -6.402 -0.516 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.345 -8.418 1.158 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.420 -7.110 -1.411 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.523 -8.413 -0.656 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.255 -7.872 -3.089 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.552 -10.053 -3.587 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.463 -10.708 0.767 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -11.756 -12.617 -2.453 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -9.265 -13.024 0.999 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -10.890 -13.963 -0.592 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.395 -7.492 2.442 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.359 -6.884 3.269 1.00 0.00 C ATOM 587 C GLN 1 37 -5.073 -7.665 3.201 1.00 0.00 C ATOM 588 O GLN 1 37 -5.090 -8.876 3.080 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.832 -6.785 4.710 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.781 -6.305 5.688 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.666 -7.143 6.966 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.740 -6.624 8.080 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.465 -8.437 6.830 1.00 0.00 N ATOM 0 H GLN 1 37 -7.675 -8.430 2.729 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.166 -5.883 2.883 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.685 -6.108 4.753 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.187 -7.765 5.030 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.813 -6.298 5.186 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -6.005 -5.275 5.964 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.407 -8.849 5.899 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.368 -9.028 7.656 1.00 0.00 H new ATOM 602 N VAL 1 38 -3.960 -6.945 3.254 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.648 -7.563 3.139 1.00 0.00 C ATOM 604 C VAL 1 38 -1.801 -7.508 4.402 1.00 0.00 C ATOM 605 O VAL 1 38 -1.910 -6.576 5.211 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.868 -6.878 2.002 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.572 -7.618 1.723 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.727 -6.808 0.751 1.00 0.00 C ATOM 0 H VAL 1 38 -3.941 -5.932 3.376 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.836 -8.618 2.940 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.618 -5.863 2.310 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.035 -7.119 0.917 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 0.045 -7.623 2.622 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.795 -8.644 1.430 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.167 -6.322 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.001 -7.816 0.441 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.630 -6.235 0.961 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.933 -8.528 4.532 1.00 0.00 N ATOM 619 CA ARG 1 39 -0.006 -8.635 5.648 1.00 0.00 C ATOM 620 C ARG 1 39 1.330 -9.244 5.212 1.00 0.00 C ATOM 621 O ARG 1 39 1.348 -10.283 4.550 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.605 -9.493 6.761 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.794 -8.853 7.429 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.676 -9.884 8.112 1.00 0.00 C ATOM 625 NE ARG 1 39 -3.353 -10.747 7.148 1.00 0.00 N ATOM 626 CZ ARG 1 39 -4.017 -11.851 7.479 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -4.093 -12.235 8.747 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -4.606 -12.575 6.537 1.00 0.00 N ATOM 0 H ARG 1 39 -0.863 -9.294 3.862 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.173 -7.625 6.017 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.904 -10.456 6.348 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.161 -9.691 7.510 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.451 -8.124 8.163 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.378 -8.308 6.688 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -2.070 -10.494 8.782 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.418 -9.376 8.728 1.00 0.00 H new ATOM 0 HE ARG 1 39 -3.314 -10.488 6.162 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -3.641 -11.682 9.475 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.604 -13.083 8.993 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -4.549 -12.285 5.561 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -5.116 -13.422 6.789 1.00 0.00 H new ATOM 642 N ASN 1 40 2.447 -8.664 5.658 1.00 0.00 N ATOM 643 CA ASN 1 40 3.745 -9.235 5.382 1.00 0.00 C ATOM 644 C ASN 1 40 4.446 -9.441 6.681 1.00 0.00 C ATOM 645 O ASN 1 40 4.198 -8.763 7.658 1.00 0.00 O ATOM 646 CB ASN 1 40 4.689 -8.432 4.492 1.00 0.00 C ATOM 647 CG ASN 1 40 4.066 -7.286 3.743 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.908 -7.339 3.332 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.852 -6.238 3.565 1.00 0.00 N ATOM 0 H ASN 1 40 2.468 -7.805 6.207 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.524 -10.145 4.825 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.496 -8.041 5.111 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.142 -9.111 3.769 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.505 -5.419 3.065 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.805 -6.248 3.928 1.00 0.00 H new ATOM 656 N ASN 1 41 5.310 -10.387 6.664 1.00 0.00 N ATOM 657 CA ASN 1 41 6.087 -10.742 7.825 1.00 0.00 C ATOM 658 C ASN 1 41 6.988 -9.586 8.307 1.00 0.00 C ATOM 659 O ASN 1 41 7.468 -9.610 9.440 1.00 0.00 O ATOM 660 CB ASN 1 41 6.956 -11.968 7.508 1.00 0.00 C ATOM 661 CG ASN 1 41 7.478 -11.964 6.078 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.501 -10.785 5.466 1.00 0.00 O flip ATOM 663 ND2 ASN 1 41 7.855 -13.003 5.536 1.00 0.00 N flip ATOM 0 H ASN 1 41 5.511 -10.953 5.840 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.386 -10.969 8.628 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.799 -11.999 8.198 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.374 -12.874 7.675 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.819 -13.886 6.045 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 8.203 -12.981 4.578 1.00 0.00 H new ATOM 670 N ILE 1 42 7.232 -8.585 7.447 1.00 0.00 N ATOM 671 CA ILE 1 42 8.074 -7.471 7.793 1.00 0.00 C ATOM 672 C ILE 1 42 7.310 -6.444 8.586 1.00 0.00 C ATOM 673 O ILE 1 42 7.737 -5.996 9.652 1.00 0.00 O ATOM 674 CB ILE 1 42 8.571 -6.775 6.540 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.103 -7.787 5.556 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.612 -5.763 6.893 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.087 -8.097 4.503 1.00 0.00 C ATOM 0 H ILE 1 42 6.846 -8.541 6.504 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.903 -7.868 8.378 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.739 -6.253 6.067 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.010 -7.403 5.089 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.377 -8.701 6.082 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.962 -5.269 5.986 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.185 -5.022 7.568 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.450 -6.259 7.383 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.496 -8.829 3.807 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.190 -8.503 4.971 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.833 -7.185 3.963 1.00 0.00 H new ATOM 689 N LEU 1 43 6.165 -6.079 8.040 1.00 0.00 N ATOM 690 CA LEU 1 43 5.306 -5.113 8.663 1.00 0.00 C ATOM 691 C LEU 1 43 4.158 -5.800 9.372 1.00 0.00 C ATOM 692 O LEU 1 43 3.432 -5.172 10.138 1.00 0.00 O ATOM 693 CB LEU 1 43 4.753 -4.137 7.633 1.00 0.00 C ATOM 694 CG LEU 1 43 5.791 -3.467 6.734 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.146 -3.360 7.421 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.913 -4.204 5.413 1.00 0.00 C ATOM 0 H LEU 1 43 5.813 -6.447 7.156 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.899 -4.561 9.392 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 4.041 -4.668 7.002 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.197 -3.360 8.157 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.446 -2.453 6.533 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.857 -2.878 6.750 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 7.047 -2.768 8.331 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.505 -4.357 7.675 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.657 -3.710 4.788 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.220 -5.234 5.598 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.950 -4.198 4.903 1.00 0.00 H new ATOM 708 N VAL 1 44 3.974 -7.092 9.111 1.00 0.00 N ATOM 709 CA VAL 1 44 2.886 -7.808 9.739 1.00 0.00 C ATOM 710 C VAL 1 44 3.225 -9.253 9.975 1.00 0.00 C ATOM 711 O VAL 1 44 2.675 -10.153 9.339 1.00 0.00 O ATOM 712 CB VAL 1 44 1.585 -7.729 8.953 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.414 -8.022 9.877 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.432 -6.373 8.286 1.00 0.00 C ATOM 0 H VAL 1 44 4.554 -7.647 8.482 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.737 -7.308 10.696 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.604 -8.478 8.161 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.517 -7.965 9.313 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.523 -9.022 10.297 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.395 -7.289 10.684 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.494 -6.344 7.731 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.428 -5.592 9.046 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.264 -6.209 7.601 1.00 0.00 H new ATOM 724 N PRO 1 45 4.121 -9.494 10.921 1.00 0.00 N ATOM 725 CA PRO 1 45 4.518 -10.836 11.294 1.00 0.00 C ATOM 726 C PRO 1 45 3.283 -11.676 11.528 1.00 0.00 C ATOM 727 O PRO 1 45 3.255 -12.879 11.270 1.00 0.00 O ATOM 728 CB PRO 1 45 5.269 -10.584 12.594 1.00 0.00 C ATOM 729 CG PRO 1 45 5.859 -9.249 12.416 1.00 0.00 C ATOM 730 CD PRO 1 45 4.782 -8.475 11.743 1.00 0.00 C ATOM 0 HA PRO 1 45 5.110 -11.368 10.549 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.599 -10.612 13.453 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.036 -11.339 12.764 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.136 -8.803 13.371 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.763 -9.288 11.809 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.096 -8.026 12.461 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.184 -7.664 11.137 1.00 0.00 H new ATOM 738 N THR 1 46 2.257 -10.983 12.003 1.00 0.00 N ATOM 739 CA THR 1 46 0.961 -11.580 12.288 1.00 0.00 C ATOM 740 C THR 1 46 0.060 -10.600 13.044 1.00 0.00 C ATOM 741 O THR 1 46 0.543 -9.730 13.768 1.00 0.00 O ATOM 742 CB THR 1 46 1.141 -12.855 13.121 1.00 0.00 C ATOM 743 OG1 THR 1 46 -0.078 -13.571 13.216 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.627 -12.588 14.530 1.00 0.00 C ATOM 0 H THR 1 46 2.302 -9.984 12.203 1.00 0.00 H new ATOM 0 HA THR 1 46 0.487 -11.827 11.338 1.00 0.00 H new ATOM 0 HB THR 1 46 1.900 -13.435 12.596 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.631 -13.183 13.926 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.733 -13.533 15.064 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.592 -12.083 14.492 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.907 -11.956 15.050 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.254 -10.784 12.909 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.240 -9.950 13.619 1.00 0.00 C ATOM 754 C ASP 1 47 -2.372 -8.521 13.094 1.00 0.00 C ATOM 755 O ASP 1 47 -2.283 -7.566 13.866 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.876 -9.843 15.083 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.170 -11.070 15.632 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.761 -12.170 15.577 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.028 -10.931 16.118 1.00 0.00 O ATOM 0 H ASP 1 47 -1.666 -11.503 12.315 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.190 -10.458 13.454 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.235 -8.973 15.225 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.783 -9.669 15.661 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.671 -8.363 11.821 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.881 -7.063 11.257 1.00 0.00 C ATOM 766 C PHE 1 48 -4.318 -6.693 11.507 1.00 0.00 C ATOM 767 O PHE 1 48 -5.215 -7.332 10.971 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.624 -7.101 9.760 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.866 -5.929 9.183 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.369 -4.899 9.971 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.641 -5.879 7.824 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.666 -3.860 9.396 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.943 -4.843 7.255 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.452 -3.836 8.040 1.00 0.00 C ATOM 0 H PHE 1 48 -2.773 -9.132 11.159 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.205 -6.336 11.707 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.072 -8.012 9.530 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.584 -7.173 9.249 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.533 -4.911 11.038 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.021 -6.670 7.195 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.283 -3.062 10.015 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.781 -4.823 6.187 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.103 -3.024 7.594 1.00 0.00 H new ATOM 784 N THR 1 49 -4.543 -5.701 12.332 1.00 0.00 N ATOM 785 CA THR 1 49 -5.900 -5.299 12.648 1.00 0.00 C ATOM 786 C THR 1 49 -6.719 -5.175 11.382 1.00 0.00 C ATOM 787 O THR 1 49 -6.778 -4.121 10.751 1.00 0.00 O ATOM 788 CB THR 1 49 -5.941 -3.975 13.384 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.708 -3.714 14.029 1.00 0.00 O ATOM 790 CG2 THR 1 49 -7.027 -3.918 14.415 1.00 0.00 C ATOM 0 H THR 1 49 -3.815 -5.158 12.796 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.318 -6.070 13.295 1.00 0.00 H new ATOM 0 HB THR 1 49 -6.141 -3.221 12.623 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.707 -2.797 14.375 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -7.008 -2.947 14.910 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.994 -4.061 13.933 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.870 -4.704 15.153 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.362 -6.267 11.041 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.211 -6.341 9.868 1.00 0.00 C ATOM 800 C TRP 1 50 -9.116 -5.114 9.780 1.00 0.00 C ATOM 801 O TRP 1 50 -9.524 -4.694 8.699 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.090 -7.581 9.994 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.406 -8.896 9.740 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.061 -9.127 9.646 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.041 -10.171 9.548 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -6.824 -10.460 9.409 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.021 -11.122 9.345 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.372 -10.598 9.528 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.291 -12.470 9.127 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.638 -11.937 9.309 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.602 -12.859 9.113 1.00 0.00 C ATOM 0 H TRP 1 50 -7.313 -7.137 11.571 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.587 -6.385 8.976 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.515 -7.602 10.998 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.923 -7.485 9.297 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.296 -8.371 9.744 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -5.904 -10.887 9.299 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.178 -9.895 9.681 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.494 -13.183 8.974 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.663 -12.278 9.289 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -9.843 -13.899 8.947 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.427 -4.565 10.944 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.297 -3.404 11.059 1.00 0.00 C ATOM 824 C VAL 1 51 -9.817 -2.263 10.214 1.00 0.00 C ATOM 825 O VAL 1 51 -10.545 -1.718 9.384 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.412 -2.913 12.522 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -9.116 -2.290 13.020 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.554 -1.920 12.663 1.00 0.00 C ATOM 0 H VAL 1 51 -9.082 -4.913 11.839 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.276 -3.730 10.708 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.617 -3.788 13.139 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -9.244 -1.960 14.051 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.315 -3.028 12.972 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.859 -1.435 12.394 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.620 -1.586 13.698 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.372 -1.062 12.016 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.490 -2.399 12.376 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.600 -1.881 10.477 1.00 0.00 N ATOM 839 CA ASP 1 52 -8.012 -0.756 9.792 1.00 0.00 C ATOM 840 C ASP 1 52 -6.509 -0.848 9.656 1.00 0.00 C ATOM 841 O ASP 1 52 -5.905 -0.087 8.904 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.358 0.500 10.561 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.899 1.767 9.866 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.584 1.702 8.660 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.857 2.825 10.529 1.00 0.00 O ATOM 0 H ASP 1 52 -7.991 -2.330 11.161 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.417 -0.744 8.780 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.437 0.544 10.708 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.903 0.450 11.550 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.902 -1.755 10.382 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.458 -1.885 10.323 1.00 0.00 C ATOM 852 C ASN 1 53 -4.055 -2.805 9.222 1.00 0.00 C ATOM 853 O ASN 1 53 -2.911 -2.798 8.774 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.877 -2.337 11.660 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.181 -1.389 12.822 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.664 -1.573 13.924 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -5.004 -0.362 12.594 1.00 0.00 N ATOM 0 H ASN 1 53 -6.371 -2.406 11.012 1.00 0.00 H new ATOM 0 HA ASN 1 53 -4.046 -0.899 10.110 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.268 -3.326 11.899 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.796 -2.438 11.560 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.219 0.295 13.344 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.418 -0.235 11.670 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.014 -3.527 8.730 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.777 -4.353 7.642 1.00 0.00 C ATOM 866 C GLY 1 54 -4.791 -3.525 6.398 1.00 0.00 C ATOM 867 O GLY 1 54 -5.534 -2.549 6.300 1.00 0.00 O ATOM 0 H GLY 1 54 -5.970 -3.544 9.086 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.815 -4.854 7.751 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.538 -5.131 7.586 1.00 0.00 H new ATOM 871 N ILE 1 55 -3.969 -3.887 5.465 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.886 -3.130 4.232 1.00 0.00 C ATOM 873 C ILE 1 55 -4.962 -3.537 3.251 1.00 0.00 C ATOM 874 O ILE 1 55 -4.983 -4.661 2.787 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.519 -3.293 3.523 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.685 -3.388 2.025 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.753 -4.464 4.014 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.569 -2.055 1.374 1.00 0.00 C ATOM 0 H ILE 1 55 -3.346 -4.693 5.521 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.018 -2.090 4.529 1.00 0.00 H new ATOM 0 HB ILE 1 55 -1.948 -2.397 3.766 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -1.930 -4.060 1.617 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.657 -3.823 1.793 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.804 -4.528 3.481 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.563 -4.353 5.082 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.328 -5.374 3.841 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.694 -2.164 0.297 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.341 -1.391 1.763 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.587 -1.632 1.584 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.832 -2.611 2.883 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.831 -2.928 1.896 1.00 0.00 C ATOM 892 C ALA 1 56 -6.141 -3.078 0.568 1.00 0.00 C ATOM 893 O ALA 1 56 -5.970 -2.117 -0.177 1.00 0.00 O ATOM 894 CB ALA 1 56 -7.937 -1.888 1.850 1.00 0.00 C ATOM 0 H ALA 1 56 -5.862 -1.658 3.246 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.324 -3.863 2.160 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.668 -2.168 1.092 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.426 -1.833 2.823 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.512 -0.915 1.603 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.687 -4.294 0.324 1.00 0.00 N ATOM 901 CA ALA 1 57 -4.938 -4.613 -0.869 1.00 0.00 C ATOM 902 C ALA 1 57 -5.413 -3.862 -2.111 1.00 0.00 C ATOM 903 O ALA 1 57 -4.613 -3.502 -2.970 1.00 0.00 O ATOM 904 CB ALA 1 57 -4.949 -6.105 -1.122 1.00 0.00 C ATOM 0 H ALA 1 57 -5.829 -5.086 0.951 1.00 0.00 H new ATOM 0 HA ALA 1 57 -3.917 -4.280 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.380 -6.325 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.499 -6.621 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -5.977 -6.445 -1.249 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.708 -3.624 -2.206 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.260 -2.912 -3.352 1.00 0.00 C ATOM 912 C ASP 1 58 -6.559 -1.574 -3.531 1.00 0.00 C ATOM 913 O ASP 1 58 -6.373 -1.093 -4.650 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.754 -2.709 -3.186 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.428 -2.258 -4.467 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -9.705 -3.118 -5.329 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -9.683 -1.043 -4.606 1.00 0.00 O ATOM 0 H ASP 1 58 -7.397 -3.910 -1.510 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.093 -3.515 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.208 -3.641 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -8.932 -1.968 -2.406 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.174 -0.985 -2.413 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.489 0.281 -2.394 1.00 0.00 C ATOM 924 C ASP 1 59 -4.086 0.166 -2.971 1.00 0.00 C ATOM 925 O ASP 1 59 -3.554 1.136 -3.514 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.397 0.761 -0.953 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.697 0.601 -0.190 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.705 0.195 -0.806 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.709 0.885 1.025 1.00 0.00 O ATOM 0 H ASP 1 59 -6.333 -1.382 -1.487 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.049 0.988 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.611 0.206 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.104 1.811 -0.944 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.472 -1.006 -2.835 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.137 -1.202 -3.327 1.00 0.00 C ATOM 936 C VAL 1 60 -2.119 -1.918 -4.659 1.00 0.00 C ATOM 937 O VAL 1 60 -3.160 -2.148 -5.271 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.301 -1.965 -2.326 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.262 -1.204 -1.030 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.837 -3.359 -2.151 1.00 0.00 C ATOM 0 H VAL 1 60 -3.887 -1.824 -2.388 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.708 -0.211 -3.473 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.279 -2.062 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.660 -1.751 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.823 -0.221 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.275 -1.088 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.224 -3.896 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.865 -3.311 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.811 -3.882 -3.107 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.921 -2.223 -5.122 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.747 -2.855 -6.389 1.00 0.00 C ATOM 952 C ILE 1 61 0.362 -3.883 -6.363 1.00 0.00 C ATOM 953 O ILE 1 61 1.537 -3.547 -6.257 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.449 -1.796 -7.411 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.075 -0.573 -6.723 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.728 -1.423 -8.078 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.164 0.132 -7.460 1.00 0.00 C ATOM 0 H ILE 1 61 -0.052 -2.035 -4.622 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.664 -3.386 -6.644 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.283 -2.170 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.750 0.122 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.445 -0.856 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.537 -0.654 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -2.156 -2.301 -8.562 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.428 -1.041 -7.335 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.483 1.005 -6.890 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 2.009 -0.543 -7.594 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.796 0.450 -8.436 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.031 -5.136 -6.456 1.00 0.00 N ATOM 970 CA GLU 1 62 0.899 -6.240 -6.425 1.00 0.00 C ATOM 971 C GLU 1 62 1.834 -6.247 -7.614 1.00 0.00 C ATOM 972 O GLU 1 62 1.406 -6.293 -8.768 1.00 0.00 O ATOM 973 CB GLU 1 62 0.128 -7.547 -6.359 1.00 0.00 C ATOM 974 CG GLU 1 62 -0.769 -7.793 -7.560 1.00 0.00 C ATOM 975 CD GLU 1 62 -0.601 -9.187 -8.132 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -1.154 -10.140 -7.545 1.00 0.00 O ATOM 977 OE2 GLU 1 62 0.086 -9.324 -9.166 1.00 0.00 O ATOM 0 H GLU 1 62 -1.007 -5.416 -6.555 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.519 -6.123 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.836 -8.371 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.481 -7.553 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -1.809 -7.646 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -0.547 -7.057 -8.333 1.00 0.00 H new ATOM 984 N VAL 1 63 3.124 -6.223 -7.322 1.00 0.00 N ATOM 985 CA VAL 1 63 4.121 -6.257 -8.361 1.00 0.00 C ATOM 986 C VAL 1 63 4.759 -7.636 -8.423 1.00 0.00 C ATOM 987 O VAL 1 63 4.721 -8.385 -7.446 1.00 0.00 O ATOM 988 CB VAL 1 63 5.228 -5.224 -8.109 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.748 -3.811 -8.381 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.754 -5.347 -6.692 1.00 0.00 C ATOM 0 H VAL 1 63 3.498 -6.180 -6.374 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.622 -6.023 -9.301 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.041 -5.433 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.559 -3.108 -8.191 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.432 -3.728 -9.421 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.908 -3.580 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.538 -4.608 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.941 -5.175 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 6.161 -6.347 -6.540 1.00 0.00 H new ATOM 1000 N THR 1 64 5.369 -7.963 -9.555 1.00 0.00 N ATOM 1001 CA THR 1 64 6.032 -9.254 -9.693 1.00 0.00 C ATOM 1002 C THR 1 64 7.427 -9.149 -9.112 1.00 0.00 C ATOM 1003 O THR 1 64 7.930 -8.040 -8.936 1.00 0.00 O ATOM 1004 CB THR 1 64 6.091 -9.714 -11.156 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.200 -9.144 -11.831 1.00 0.00 O ATOM 1006 CG2 THR 1 64 4.845 -9.378 -11.949 1.00 0.00 C ATOM 0 H THR 1 64 5.419 -7.364 -10.379 1.00 0.00 H new ATOM 0 HA THR 1 64 5.455 -10.003 -9.150 1.00 0.00 H new ATOM 0 HB THR 1 64 6.184 -10.799 -11.102 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.213 -9.456 -12.760 1.00 0.00 H new ATOM 0 HG21 THR 1 64 4.959 -9.733 -12.973 1.00 0.00 H new ATOM 0 HG22 THR 1 64 3.981 -9.861 -11.491 1.00 0.00 H new ATOM 0 HG23 THR 1 64 4.697 -8.298 -11.954 1.00 0.00 H new ATOM 1014 N SER 1 65 8.033 -10.296 -8.806 1.00 0.00 N ATOM 1015 CA SER 1 65 9.371 -10.356 -8.208 1.00 0.00 C ATOM 1016 C SER 1 65 10.316 -9.294 -8.767 1.00 0.00 C ATOM 1017 O SER 1 65 11.183 -8.791 -8.053 1.00 0.00 O ATOM 1018 CB SER 1 65 9.977 -11.742 -8.424 1.00 0.00 C ATOM 1019 OG SER 1 65 11.202 -11.880 -7.726 1.00 0.00 O ATOM 0 H SER 1 65 7.612 -11.211 -8.965 1.00 0.00 H new ATOM 0 HA SER 1 65 9.251 -10.157 -7.143 1.00 0.00 H new ATOM 0 HB2 SER 1 65 9.275 -12.505 -8.087 1.00 0.00 H new ATOM 0 HB3 SER 1 65 10.141 -11.908 -9.489 1.00 0.00 H new ATOM 0 HG SER 1 65 11.567 -12.776 -7.880 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.309 -10.708 -4.893 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.396 -12.033 -4.299 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.225 -12.221 -3.341 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.083 -11.912 -3.676 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.356 -13.130 -5.373 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.298 -12.906 -6.549 1.00 0.00 C ATOM 1179 CD GLN 1 76 -5.440 -13.902 -6.585 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -5.659 -14.577 -7.590 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -6.178 -13.997 -5.485 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.344 -12.114 -3.767 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.337 -13.211 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.600 -14.085 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -4.704 -11.896 -6.496 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -3.733 -12.974 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -5.961 -13.418 -4.674 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -6.962 -14.649 -5.451 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.514 -12.718 -2.152 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.478 -12.928 -1.139 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.666 -14.182 -1.368 1.00 0.00 C ATOM 1193 O LYS 1 77 -1.140 -15.158 -1.950 1.00 0.00 O ATOM 1194 CB LYS 1 77 -2.048 -12.962 0.264 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.826 -14.226 0.579 1.00 0.00 C ATOM 1196 CD LYS 1 77 -2.046 -15.154 1.495 1.00 0.00 C ATOM 1197 CE LYS 1 77 -2.083 -16.588 0.995 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -2.419 -17.549 2.084 1.00 0.00 N ATOM 0 H LYS 1 77 -3.453 -12.985 -1.858 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.815 -12.069 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.232 -12.861 0.980 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.702 -12.101 0.401 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -3.773 -13.962 1.050 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -3.065 -14.747 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -1.012 -14.817 1.561 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -2.461 -15.107 2.502 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -2.818 -16.674 0.195 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -1.115 -16.848 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -2.434 -18.516 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -1.704 -17.485 2.836 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -3.354 -17.317 2.475 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.574 -14.133 -0.903 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.465 -15.249 -1.052 1.00 0.00 C ATOM 1214 C GLY 1 78 2.663 -14.877 -1.878 1.00 0.00 C ATOM 1215 O GLY 1 78 3.346 -15.746 -2.419 1.00 0.00 O ATOM 0 H GLY 1 78 0.975 -13.328 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 1.789 -15.593 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 0.938 -16.079 -1.523 1.00 0.00 H new ATOM 1219 N GLY 1 79 2.918 -13.572 -1.997 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.046 -13.152 -2.793 1.00 0.00 C ATOM 1221 C GLY 1 79 4.625 -11.815 -2.392 1.00 0.00 C ATOM 1222 O GLY 1 79 5.311 -11.700 -1.378 1.00 0.00 O ATOM 0 H GLY 1 79 2.376 -12.823 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.827 -13.909 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.741 -13.104 -3.838 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.364 -10.817 -3.221 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.861 -9.472 -3.009 1.00 0.00 C ATOM 1228 C TYR 1 80 3.916 -8.461 -3.634 1.00 0.00 C ATOM 1229 O TYR 1 80 3.140 -8.802 -4.527 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.260 -9.325 -3.623 1.00 0.00 C ATOM 1231 CG TYR 1 80 6.642 -10.459 -4.553 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 5.939 -10.683 -5.730 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 7.698 -11.308 -4.246 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 6.277 -11.722 -6.576 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.043 -12.348 -5.089 1.00 0.00 C ATOM 1236 CZ TYR 1 80 7.330 -12.552 -6.252 1.00 0.00 C ATOM 1237 OH TYR 1 80 7.664 -13.591 -7.092 1.00 0.00 O ATOM 0 H TYR 1 80 3.798 -10.920 -4.063 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.921 -9.286 -1.937 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.308 -8.385 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.994 -9.263 -2.820 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.115 -10.035 -5.988 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.258 -11.153 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 5.719 -11.883 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 8.868 -12.998 -4.838 1.00 0.00 H new ATOM 0 HH TYR 1 80 8.428 -14.079 -6.720 1.00 0.00 H new ATOM 1247 N PHE 1 81 4.006 -7.214 -3.202 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.173 -6.171 -3.775 1.00 0.00 C ATOM 1249 C PHE 1 81 3.815 -4.824 -3.631 1.00 0.00 C ATOM 1250 O PHE 1 81 4.825 -4.656 -2.977 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.781 -6.109 -3.159 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.774 -6.024 -1.670 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.303 -7.051 -0.914 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.206 -4.931 -1.024 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.271 -6.994 0.467 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.164 -4.871 0.344 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.696 -5.902 1.097 1.00 0.00 C ATOM 0 H PHE 1 81 4.639 -6.902 -2.466 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.069 -6.431 -4.828 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.255 -5.244 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.221 -6.993 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.745 -7.905 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.794 -4.121 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.693 -7.798 1.053 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.716 -4.019 0.834 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.663 -5.856 2.176 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.204 -3.860 -4.239 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.697 -2.516 -4.165 1.00 0.00 C ATOM 1269 C VAL 1 82 2.525 -1.603 -3.944 1.00 0.00 C ATOM 1270 O VAL 1 82 1.570 -1.630 -4.699 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.472 -2.161 -5.456 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.222 -0.727 -5.923 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.961 -2.394 -5.248 1.00 0.00 C ATOM 0 H VAL 1 82 2.358 -3.975 -4.796 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.396 -2.404 -3.336 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.101 -2.818 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.792 -0.536 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.160 -0.590 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.536 -0.031 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.500 -2.142 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.317 -1.766 -4.431 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.134 -3.442 -5.002 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.591 -0.805 -2.903 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.507 0.095 -2.593 1.00 0.00 C ATOM 1285 C ILE 1 83 1.496 1.253 -3.550 1.00 0.00 C ATOM 1286 O ILE 1 83 2.389 2.101 -3.527 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.636 0.655 -1.179 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.454 -0.428 -0.107 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.650 1.795 -0.951 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.721 -1.845 -0.567 1.00 0.00 C ATOM 0 H ILE 1 83 3.381 -0.761 -2.259 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.583 -0.478 -2.676 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.650 1.043 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 2.117 -0.204 0.729 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.434 -0.373 0.272 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.763 2.176 0.064 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.849 2.596 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.367 1.429 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.565 -2.533 0.264 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 1.041 -2.098 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.750 -1.926 -0.917 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.478 1.307 -4.377 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.366 2.389 -5.317 1.00 0.00 C ATOM 1304 C ASN 1 84 0.439 3.719 -4.558 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.449 4.036 -3.769 1.00 0.00 O ATOM 1306 CB ASN 1 84 -0.955 2.279 -6.068 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.798 2.327 -7.572 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.373 1.512 -8.295 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -0.017 3.280 -8.052 1.00 0.00 N ATOM 0 H ASN 1 84 -0.275 0.620 -4.416 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.182 2.342 -6.039 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.445 1.346 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.612 3.090 -5.753 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 0.129 3.361 -9.058 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 0.440 3.934 -7.416 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.495 4.518 -4.794 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.679 5.823 -4.134 1.00 0.00 C ATOM 1318 C PRO 1 85 0.670 6.818 -4.626 1.00 0.00 C ATOM 1319 O PRO 1 85 0.282 7.758 -3.934 1.00 0.00 O ATOM 1320 CB PRO 1 85 3.068 6.239 -4.596 1.00 0.00 C ATOM 1321 CG PRO 1 85 3.149 5.618 -5.937 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.586 4.246 -5.741 1.00 0.00 C ATOM 0 HA PRO 1 85 1.563 5.772 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.174 7.323 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.847 5.870 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.576 6.182 -6.672 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.177 5.579 -6.296 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.223 3.813 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.322 3.553 -5.333 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.258 6.594 -5.843 1.00 0.00 N ATOM 1331 CA ASN 1 86 -0.708 7.450 -6.474 1.00 0.00 C ATOM 1332 C ASN 1 86 -2.085 7.196 -5.892 1.00 0.00 C ATOM 1333 O ASN 1 86 -2.914 8.103 -5.803 1.00 0.00 O ATOM 1334 CB ASN 1 86 -0.698 7.253 -7.985 1.00 0.00 C ATOM 1335 CG ASN 1 86 0.063 8.345 -8.708 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -0.494 9.059 -9.541 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 1.345 8.481 -8.391 1.00 0.00 N ATOM 0 H ASN 1 86 0.580 5.818 -6.422 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.441 8.489 -6.278 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.251 6.287 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -1.724 7.226 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 1.909 9.200 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.766 7.867 -7.694 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.296 5.973 -5.432 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.518 5.610 -4.781 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.419 6.040 -3.348 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.339 5.856 -2.559 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.637 4.133 -4.782 1.00 0.00 C ATOM 1349 CG ASN 1 87 -4.862 3.619 -5.481 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.795 4.360 -5.789 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -4.842 2.331 -5.737 1.00 0.00 N ATOM 0 H ASN 1 87 -1.618 5.214 -5.505 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.366 6.071 -5.287 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -2.754 3.708 -5.259 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.644 3.779 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -5.629 1.894 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.039 1.768 -5.457 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.253 6.566 -3.017 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.941 6.991 -1.727 1.00 0.00 C ATOM 1360 C VAL 1 88 -2.152 8.455 -1.549 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.723 9.297 -2.339 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.508 6.679 -1.418 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 -0.101 7.441 -0.185 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.383 5.198 -1.233 1.00 0.00 C ATOM 0 H VAL 1 88 -1.494 6.699 -3.685 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.609 6.460 -1.049 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.155 6.981 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 0.941 7.222 0.051 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.216 8.510 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.733 7.143 0.652 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.653 4.946 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -1.022 4.879 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.689 4.690 -2.148 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.802 8.711 -0.474 1.00 0.00 N ATOM 1375 CA LYS 1 89 -3.112 10.041 -0.055 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.949 10.567 0.727 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.519 11.710 0.565 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.341 10.050 0.834 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.602 9.472 0.214 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.378 8.164 -0.515 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.845 8.366 -1.916 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -5.898 8.210 -2.956 1.00 0.00 N ATOM 0 H LYS 1 89 -3.145 7.989 0.159 1.00 0.00 H new ATOM 0 HA LYS 1 89 -3.310 10.658 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.115 9.491 1.742 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.543 11.078 1.134 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.344 9.318 0.998 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -6.020 10.199 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.677 7.551 0.052 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.317 7.613 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -4.407 9.361 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -4.045 7.650 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.746 8.908 -3.711 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.851 7.251 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -6.834 8.361 -2.528 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.451 9.699 1.588 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.316 10.053 2.448 1.00 0.00 C ATOM 1398 C SER 1 90 0.040 8.955 3.445 1.00 0.00 C ATOM 1399 O SER 1 90 -0.690 7.986 3.606 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.617 11.347 3.213 1.00 0.00 C ATOM 1401 OG SER 1 90 -1.046 11.076 4.538 1.00 0.00 O ATOM 0 H SER 1 90 -1.804 8.751 1.717 1.00 0.00 H new ATOM 0 HA SER 1 90 0.541 10.189 1.789 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.275 11.973 3.238 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.387 11.912 2.688 1.00 0.00 H new ATOM 0 HG SER 1 90 -1.229 11.920 5.002 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.146 9.164 4.156 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.594 8.267 5.194 1.00 0.00 C ATOM 1409 C VAL 1 91 1.391 8.966 6.537 1.00 0.00 C ATOM 1410 O VAL 1 91 1.944 10.038 6.783 1.00 0.00 O ATOM 1411 CB VAL 1 91 3.069 7.868 5.018 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.155 6.430 4.544 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.788 8.795 4.049 1.00 0.00 C ATOM 0 H VAL 1 91 1.755 9.971 4.019 1.00 0.00 H new ATOM 0 HA VAL 1 91 1.014 7.345 5.143 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.566 7.960 5.984 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.201 6.150 4.420 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.689 5.776 5.281 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.637 6.330 3.590 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.827 8.482 3.950 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.301 8.751 3.075 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.751 9.817 4.427 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.543 8.381 7.366 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.194 8.949 8.635 1.00 0.00 C ATOM 1425 C GLY 1 92 1.085 8.539 9.773 1.00 0.00 C ATOM 1426 O GLY 1 92 2.036 7.772 9.623 1.00 0.00 O ATOM 0 H GLY 1 92 0.081 7.494 7.166 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.214 10.035 8.549 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.831 8.667 8.874 1.00 0.00 H new ATOM 1430 N THR 1 93 0.736 9.086 10.911 1.00 0.00 N ATOM 1431 CA THR 1 93 1.429 8.858 12.168 1.00 0.00 C ATOM 1432 C THR 1 93 1.315 7.418 12.602 1.00 0.00 C ATOM 1433 O THR 1 93 0.296 6.752 12.422 1.00 0.00 O ATOM 1434 CB THR 1 93 0.875 9.805 13.232 1.00 0.00 C ATOM 1435 OG1 THR 1 93 1.766 10.883 13.452 1.00 0.00 O ATOM 1436 CG2 THR 1 93 0.629 9.139 14.559 1.00 0.00 C ATOM 0 H THR 1 93 -0.058 9.720 10.998 1.00 0.00 H new ATOM 0 HA THR 1 93 2.490 9.065 12.030 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.081 10.152 12.839 1.00 0.00 H new ATOM 0 HG1 THR 1 93 1.395 11.480 14.135 1.00 0.00 H new ATOM 0 HG21 THR 1 93 0.236 9.870 15.266 1.00 0.00 H new ATOM 0 HG22 THR 1 93 -0.093 8.332 14.433 1.00 0.00 H new ATOM 0 HG23 THR 1 93 1.565 8.732 14.941 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.411 6.943 13.167 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.562 5.584 13.653 1.00 0.00 C ATOM 1446 C PRO 1 94 1.962 5.356 15.033 1.00 0.00 C ATOM 1447 O PRO 1 94 1.781 6.286 15.818 1.00 0.00 O ATOM 1448 CB PRO 1 94 4.064 5.454 13.686 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.492 6.789 14.140 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.636 7.729 13.376 1.00 0.00 C ATOM 0 HA PRO 1 94 2.043 4.853 13.033 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.388 4.670 14.370 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.471 5.209 12.705 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.352 6.907 15.214 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.549 6.958 13.936 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.441 8.645 13.934 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 4.096 8.022 12.432 1.00 0.00 H new ATOM 1458 N MET 1 95 1.672 4.097 15.306 1.00 0.00 N ATOM 1459 CA MET 1 95 1.099 3.679 16.580 1.00 0.00 C ATOM 1460 C MET 1 95 1.541 2.263 16.930 1.00 0.00 C ATOM 1461 O MET 1 95 1.499 1.371 16.082 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.429 3.746 16.529 1.00 0.00 C ATOM 1463 CG MET 1 95 -0.974 5.156 16.379 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.742 5.254 16.723 1.00 0.00 S ATOM 1465 CE MET 1 95 -2.831 6.812 17.601 1.00 0.00 C ATOM 0 H MET 1 95 1.826 3.331 14.651 1.00 0.00 H new ATOM 0 HA MET 1 95 1.458 4.360 17.351 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.783 3.139 15.696 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.834 3.305 17.440 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.438 5.823 17.055 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -0.784 5.509 15.365 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -3.865 7.013 17.882 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -2.215 6.759 18.499 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -2.467 7.613 16.958 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.936 2.043 18.176 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.356 0.713 18.605 1.00 0.00 C ATOM 1477 C LYS 1 96 1.149 -0.115 19.027 1.00 0.00 C ATOM 1478 O LYS 1 96 0.358 0.321 19.865 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.356 0.811 19.760 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.528 1.740 19.480 1.00 0.00 C ATOM 1481 CD LYS 1 96 4.753 2.717 20.623 1.00 0.00 C ATOM 1482 CE LYS 1 96 6.001 3.559 20.399 1.00 0.00 C ATOM 1483 NZ LYS 1 96 7.245 2.745 20.482 1.00 0.00 N ATOM 0 H LYS 1 96 1.975 2.758 18.902 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.843 0.220 17.764 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 2.834 1.158 20.652 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.739 -0.185 19.982 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 5.431 1.150 19.322 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 4.343 2.293 18.559 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 3.885 3.369 20.722 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 4.847 2.168 21.560 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 5.945 4.037 19.421 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 6.039 4.356 21.142 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 8.070 3.376 20.528 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 7.215 2.151 21.335 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 7.320 2.138 19.641 1.00 0.00 H new ATOM 1497 N GLY 1 97 0.998 -1.309 18.449 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.136 -2.141 18.808 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.106 -3.519 18.180 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.231 -4.521 18.882 1.00 0.00 O ATOM 0 H GLY 1 97 1.629 -1.706 17.753 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.168 -2.247 19.892 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -1.054 -1.636 18.509 1.00 0.00 H new ATOM 1504 N SER 1 98 0.043 -3.575 16.860 1.00 0.00 N ATOM 1505 CA SER 1 98 0.076 -4.853 16.157 1.00 0.00 C ATOM 1506 C SER 1 98 1.304 -5.665 16.572 1.00 0.00 C ATOM 1507 O SER 1 98 2.229 -5.859 15.785 1.00 0.00 O ATOM 1508 CB SER 1 98 0.085 -4.622 14.644 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.227 -4.673 14.109 1.00 0.00 O ATOM 0 H SER 1 98 0.142 -2.757 16.259 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.818 -5.417 16.425 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.533 -3.653 14.424 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.707 -5.377 14.162 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.514 -5.607 14.034 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.308 -6.138 17.815 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.426 -6.923 18.312 1.00 0.00 C ATOM 1517 C GLY 1 99 3.283 -6.173 19.323 1.00 0.00 C ATOM 1518 O GLY 1 99 3.589 -6.698 20.393 1.00 0.00 O ATOM 0 H GLY 1 99 0.556 -5.992 18.488 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.045 -7.834 18.773 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.050 -7.228 17.472 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.677 -4.946 18.982 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.501 -4.158 19.874 1.00 0.00 C ATOM 1524 C GLY 1 100 5.313 -3.095 19.151 1.00 0.00 C ATOM 1525 O GLY 1 100 5.833 -2.169 19.775 1.00 0.00 O ATOM 0 H GLY 1 100 3.438 -4.487 18.103 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 3.865 -3.678 20.618 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.178 -4.820 20.413 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.425 -3.236 17.836 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.163 -2.326 17.004 1.00 0.00 C ATOM 1531 C LEU 1 101 5.415 -1.036 16.769 1.00 0.00 C ATOM 1532 O LEU 1 101 4.597 -0.609 17.573 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.393 -2.969 15.666 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.526 -4.480 15.636 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.182 -5.181 15.567 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.301 -4.812 14.422 1.00 0.00 C ATOM 0 H LEU 1 101 4.994 -4.003 17.320 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.099 -2.100 17.515 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.568 -2.690 15.011 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.299 -2.542 15.237 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.012 -4.815 16.553 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.335 -6.260 15.548 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.587 -4.914 16.441 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.657 -4.873 14.663 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.425 -5.893 14.354 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.770 -4.451 13.541 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.281 -4.337 14.474 1.00 0.00 H new ATOM 1548 N SER 1 102 5.733 -0.444 15.635 1.00 0.00 N ATOM 1549 CA SER 1 102 5.138 0.782 15.183 1.00 0.00 C ATOM 1550 C SER 1 102 4.380 0.538 13.891 1.00 0.00 C ATOM 1551 O SER 1 102 4.958 0.124 12.891 1.00 0.00 O ATOM 1552 CB SER 1 102 6.214 1.820 14.989 1.00 0.00 C ATOM 1553 OG SER 1 102 6.397 2.596 16.160 1.00 0.00 O ATOM 0 H SER 1 102 6.431 -0.818 14.992 1.00 0.00 H new ATOM 0 HA SER 1 102 4.433 1.148 15.929 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.151 1.330 14.724 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.948 2.471 14.156 1.00 0.00 H new ATOM 0 HG SER 1 102 7.102 3.260 16.006 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.094 0.778 13.940 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.207 0.591 12.823 1.00 0.00 C ATOM 1561 C TRP 1 103 1.542 1.923 12.542 1.00 0.00 C ATOM 1562 O TRP 1 103 0.879 2.493 13.403 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.217 -0.487 13.187 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.938 -1.751 13.548 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.911 -1.854 14.486 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.806 -3.067 12.973 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.426 -3.105 14.498 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.759 -3.884 13.603 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 0.993 -3.642 11.999 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.924 -5.229 13.284 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.156 -4.979 11.690 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.116 -5.756 12.330 1.00 0.00 C ATOM 0 H TRP 1 103 2.625 1.117 14.780 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.727 0.271 11.920 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.602 -0.158 14.025 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.543 -0.670 12.350 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.230 -1.050 15.133 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.197 -3.417 15.088 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.245 -3.051 11.492 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.670 -5.833 13.779 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.526 -5.429 10.937 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.220 -6.797 12.063 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.793 2.444 11.365 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.301 3.763 10.989 1.00 0.00 C ATOM 1585 C ALA 1 104 0.115 3.766 10.066 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.056 2.896 9.216 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.420 4.612 10.405 1.00 0.00 C ATOM 0 H ALA 1 104 2.339 1.977 10.641 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.943 4.198 11.922 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 2.029 5.592 10.132 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.211 4.731 11.146 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.823 4.122 9.519 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.694 4.793 10.276 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.887 5.020 9.525 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.598 5.680 8.195 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.392 6.880 8.154 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.800 5.939 10.309 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.234 5.730 9.947 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.206 6.393 10.902 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.840 7.300 11.649 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.455 5.940 10.883 1.00 0.00 N ATOM 0 H GLN 1 105 -0.522 5.499 10.992 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.351 4.051 9.345 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.664 5.764 11.376 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.524 6.976 10.119 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.406 6.115 8.942 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.440 4.660 9.918 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.714 5.186 10.247 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.154 6.346 11.504 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.619 4.933 7.104 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.378 5.515 5.819 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.711 5.702 5.117 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.591 4.845 5.194 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.380 4.652 5.030 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.335 5.043 3.574 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.998 4.791 5.656 1.00 0.00 C ATOM 0 H VAL 1 106 -1.800 3.929 7.094 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.916 6.498 5.909 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.707 3.613 5.076 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.381 4.411 3.049 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.323 4.915 3.132 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.031 6.086 3.487 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.712 4.182 5.102 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.309 5.835 5.623 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.962 4.456 6.693 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.877 6.850 4.492 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.116 7.189 3.839 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.117 6.744 2.395 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.530 7.398 1.539 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.340 8.699 3.911 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.319 9.086 4.998 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -4.925 9.521 6.079 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.605 8.927 4.714 1.00 0.00 N ATOM 0 H ASN 1 107 -2.157 7.569 4.425 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.924 6.670 4.355 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.387 9.197 4.090 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.710 9.055 2.949 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.314 9.169 5.406 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.885 8.563 3.803 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.786 5.636 2.132 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.889 5.114 0.824 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.207 5.487 0.168 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.151 5.979 0.789 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.823 3.599 0.804 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.555 2.960 1.287 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -3.082 3.192 2.563 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -2.860 2.081 0.472 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.939 2.567 3.017 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.719 1.450 0.926 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.257 1.696 2.199 1.00 0.00 C ATOM 0 H PHE 1 108 -5.269 5.085 2.841 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.046 5.545 0.284 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.645 3.217 1.410 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.000 3.267 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.613 3.871 3.214 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.215 1.887 -0.530 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.579 2.762 4.016 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.189 0.763 0.282 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.362 1.207 2.555 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.209 5.221 -1.110 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.320 5.473 -2.026 1.00 0.00 C ATOM 1662 C THR 1 109 -8.689 4.916 -1.614 1.00 0.00 C ATOM 1663 O THR 1 109 -9.643 5.666 -1.406 1.00 0.00 O ATOM 1664 CB THR 1 109 -6.933 4.843 -3.344 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -8.001 4.877 -4.275 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -6.516 3.420 -3.138 1.00 0.00 C ATOM 0 H THR 1 109 -5.404 4.803 -1.576 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.461 6.554 -2.052 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.102 5.423 -3.745 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.654 4.711 -5.177 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -6.240 2.979 -4.096 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -5.661 3.386 -2.463 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -7.343 2.858 -2.705 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.783 3.597 -1.564 1.00 0.00 N ATOM 1675 CA THR 1 110 -10.030 2.901 -1.257 1.00 0.00 C ATOM 1676 C THR 1 110 -10.259 2.731 0.234 1.00 0.00 C ATOM 1677 O THR 1 110 -11.296 3.129 0.766 1.00 0.00 O ATOM 1678 CB THR 1 110 -10.029 1.537 -1.940 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -9.051 1.486 -2.965 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.361 1.171 -2.560 1.00 0.00 C ATOM 0 H THR 1 110 -7.995 2.973 -1.735 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.847 3.516 -1.634 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.808 0.823 -1.147 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -9.212 0.703 -3.532 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.287 0.189 -3.028 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.128 1.148 -1.786 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.628 1.912 -3.313 1.00 0.00 H new ATOM 1688 N GLY 1 111 -9.296 2.118 0.896 1.00 0.00 N ATOM 1689 CA GLY 1 111 -9.411 1.879 2.306 1.00 0.00 C ATOM 1690 C GLY 1 111 -9.250 3.133 3.132 1.00 0.00 C ATOM 1691 O GLY 1 111 -9.413 3.090 4.351 1.00 0.00 O ATOM 0 H GLY 1 111 -8.431 1.781 0.474 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -10.384 1.435 2.515 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -8.657 1.152 2.608 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.906 4.251 2.489 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.710 5.467 3.225 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.626 5.268 4.247 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.460 5.412 3.949 1.00 0.00 O ATOM 0 H GLY 1 112 -8.764 4.324 1.482 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.440 6.276 2.546 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.638 5.760 3.716 1.00 0.00 H new ATOM 1702 N ASN 1 113 -7.994 4.873 5.439 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.008 4.595 6.447 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.530 3.157 6.294 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.334 2.228 6.227 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.577 4.839 7.840 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.022 4.408 7.962 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.867 5.148 8.466 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.306 3.201 7.497 1.00 0.00 N ATOM 0 H ASN 1 113 -8.962 4.738 5.732 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.160 5.267 6.320 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -6.978 4.299 8.573 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.496 5.899 8.081 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.261 2.847 7.548 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.570 2.626 7.088 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.230 2.980 6.247 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.638 1.667 6.118 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.359 1.666 6.902 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.465 2.461 6.629 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.340 1.304 4.664 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -4.060 -0.175 4.538 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.483 1.716 3.749 1.00 0.00 C ATOM 0 H VAL 1 114 -4.553 3.741 6.297 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.344 0.926 6.494 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.452 1.853 4.353 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.850 -0.418 3.496 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.199 -0.436 5.153 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.930 -0.740 4.874 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.242 1.445 2.721 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.396 1.205 4.055 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.631 2.794 3.815 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.270 0.818 7.893 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.086 0.805 8.719 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.057 -0.188 8.261 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.356 -1.173 7.584 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.446 0.565 10.163 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.264 1.642 10.702 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.544 1.925 10.375 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.848 2.616 11.635 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -4.966 2.985 11.092 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -3.939 3.439 11.863 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.658 2.857 12.306 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.894 4.496 12.731 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.602 3.922 13.182 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.722 4.737 13.388 1.00 0.00 C ATOM 0 H TRP 1 115 -3.987 0.138 8.147 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.632 1.791 8.621 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -2.984 -0.379 10.252 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.535 0.470 10.754 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.137 1.385 9.651 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.904 3.384 11.062 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.796 2.226 12.147 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.760 5.121 12.891 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.685 4.129 13.714 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.658 5.567 14.076 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.169 0.098 8.640 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.285 -0.733 8.292 1.00 0.00 C ATOM 1758 C LEU 1 116 2.356 -0.571 9.323 1.00 0.00 C ATOM 1759 O LEU 1 116 2.581 0.536 9.798 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.838 -0.312 6.941 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.021 -1.454 5.941 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.906 -1.427 4.908 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.382 -1.371 5.267 1.00 0.00 C ATOM 0 H LEU 1 116 0.414 0.916 9.199 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.960 -1.772 8.246 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.169 0.430 6.505 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.800 0.177 7.094 1.00 0.00 H new ATOM 0 HG LEU 1 116 1.973 -2.399 6.482 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.046 -2.244 4.200 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 -0.056 -1.540 5.408 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.928 -0.477 4.374 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.489 -2.194 4.560 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.468 -0.423 4.736 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.166 -1.437 6.021 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.055 -1.636 9.651 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.106 -1.484 10.619 1.00 0.00 C ATOM 1777 C ASN 1 117 5.134 -0.599 10.015 1.00 0.00 C ATOM 1778 O ASN 1 117 5.917 -0.932 9.124 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.631 -2.770 11.138 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.105 -2.776 11.492 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.392 -2.619 12.782 1.00 0.00 O flip ATOM 1782 ND2 ASN 1 117 6.966 -2.942 10.630 1.00 0.00 N flip ATOM 0 H ASN 1 117 2.921 -2.576 9.278 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.716 -1.017 11.523 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.061 -3.044 12.026 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.451 -3.544 10.392 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 6.695 -3.058 9.654 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 7.952 -2.964 10.891 1.00 0.00 H new ATOM 1789 N THR 1 118 4.960 0.578 10.490 1.00 0.00 N ATOM 1790 CA THR 1 118 5.662 1.761 10.081 1.00 0.00 C ATOM 1791 C THR 1 118 7.055 1.864 10.630 1.00 0.00 C ATOM 1792 O THR 1 118 7.663 2.933 10.580 1.00 0.00 O ATOM 1793 CB THR 1 118 4.836 2.935 10.526 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.211 4.121 9.841 1.00 0.00 O ATOM 1795 CG2 THR 1 118 4.935 3.174 12.012 1.00 0.00 C ATOM 0 H THR 1 118 4.279 0.765 11.226 1.00 0.00 H new ATOM 0 HA THR 1 118 5.788 1.732 8.999 1.00 0.00 H new ATOM 0 HB THR 1 118 3.803 2.685 10.283 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.188 4.192 9.820 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.321 4.032 12.284 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.583 2.292 12.547 1.00 0.00 H new ATOM 0 HG23 THR 1 118 5.973 3.371 12.281 1.00 0.00 H new ATOM 1803 N THR 1 119 7.572 0.774 11.147 1.00 0.00 N ATOM 1804 CA THR 1 119 8.919 0.794 11.671 1.00 0.00 C ATOM 1805 C THR 1 119 9.944 1.097 10.553 1.00 0.00 C ATOM 1806 O THR 1 119 11.125 0.779 10.687 1.00 0.00 O ATOM 1807 CB THR 1 119 9.232 -0.545 12.322 1.00 0.00 C ATOM 1808 OG1 THR 1 119 8.551 -1.593 11.664 1.00 0.00 O ATOM 1809 CG2 THR 1 119 8.857 -0.604 13.785 1.00 0.00 C ATOM 0 H THR 1 119 7.092 -0.123 11.216 1.00 0.00 H new ATOM 0 HA THR 1 119 8.991 1.586 12.417 1.00 0.00 H new ATOM 0 HB THR 1 119 10.313 -0.659 12.236 1.00 0.00 H new ATOM 0 HG1 THR 1 119 8.081 -2.144 12.325 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.107 -1.586 14.185 1.00 0.00 H new ATOM 0 HG22 THR 1 119 9.406 0.162 14.333 1.00 0.00 H new ATOM 0 HG23 THR 1 119 7.786 -0.430 13.893 1.00 0.00 H new ATOM 1817 N SER 1 120 9.484 1.743 9.462 1.00 0.00 N ATOM 1818 CA SER 1 120 10.313 2.126 8.352 1.00 0.00 C ATOM 1819 C SER 1 120 9.444 2.930 7.395 1.00 0.00 C ATOM 1820 O SER 1 120 8.422 2.457 6.930 1.00 0.00 O ATOM 1821 CB SER 1 120 10.903 0.907 7.646 1.00 0.00 C ATOM 1822 OG SER 1 120 12.079 0.460 8.296 1.00 0.00 O ATOM 0 H SER 1 120 8.506 2.008 9.347 1.00 0.00 H new ATOM 0 HA SER 1 120 11.156 2.720 8.705 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.167 0.103 7.626 1.00 0.00 H new ATOM 0 HB3 SER 1 120 11.130 1.158 6.610 1.00 0.00 H new ATOM 0 HG SER 1 120 12.026 0.672 9.251 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.830 4.153 7.127 1.00 0.00 N ATOM 1829 CA LYS 1 121 9.062 5.014 6.244 1.00 0.00 C ATOM 1830 C LYS 1 121 9.167 4.491 4.826 1.00 0.00 C ATOM 1831 O LYS 1 121 8.179 4.392 4.091 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.577 6.431 6.372 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.798 7.449 5.557 1.00 0.00 C ATOM 1834 CD LYS 1 121 8.213 8.542 6.437 1.00 0.00 C ATOM 1835 CE LYS 1 121 7.209 7.982 7.432 1.00 0.00 C ATOM 1836 NZ LYS 1 121 5.849 8.555 7.231 1.00 0.00 N ATOM 0 H LYS 1 121 10.674 4.581 7.507 1.00 0.00 H new ATOM 0 HA LYS 1 121 8.007 5.016 6.518 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.549 6.723 7.422 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.622 6.456 6.062 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 9.453 7.895 4.809 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 7.995 6.946 5.018 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 9.016 9.046 6.974 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 7.728 9.292 5.812 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 7.165 6.898 7.331 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 7.546 8.194 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 5.148 7.969 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 5.821 9.523 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 5.627 8.574 6.215 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.362 4.056 4.473 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.569 3.437 3.200 1.00 0.00 C ATOM 1852 C ASP 1 122 9.778 2.136 3.174 1.00 0.00 C ATOM 1853 O ASP 1 122 9.756 1.440 2.181 1.00 0.00 O ATOM 1854 CB ASP 1 122 12.042 3.183 2.949 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.815 4.458 2.679 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.179 5.480 2.345 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 14.058 4.435 2.800 1.00 0.00 O ATOM 0 H ASP 1 122 11.196 4.125 5.056 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.223 4.099 2.406 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.472 2.678 3.814 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.151 2.509 2.099 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.161 1.785 4.305 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.399 0.564 4.392 1.00 0.00 C ATOM 1864 C ASN 1 123 7.224 0.603 3.436 1.00 0.00 C ATOM 1865 O ASN 1 123 7.096 -0.220 2.542 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.891 0.385 5.834 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.716 -0.531 5.859 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.836 -0.422 6.713 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.701 -1.445 4.907 1.00 0.00 N ATOM 0 H ASN 1 123 9.181 2.335 5.164 1.00 0.00 H new ATOM 0 HA ASN 1 123 9.039 -0.275 4.120 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.688 -0.017 6.460 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.615 1.353 6.252 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.930 -2.111 4.851 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.460 -1.485 4.227 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.391 1.567 3.604 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.255 1.714 2.722 1.00 0.00 C ATOM 1878 C LEU 1 124 5.736 2.010 1.327 1.00 0.00 C ATOM 1879 O LEU 1 124 5.416 1.314 0.366 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.324 2.820 3.179 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.456 3.211 4.633 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.283 1.984 5.534 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.806 3.873 4.857 1.00 0.00 C ATOM 0 H LEU 1 124 6.461 2.272 4.338 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.697 0.778 2.740 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.504 3.702 2.564 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.296 2.507 2.995 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.672 3.923 4.891 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.381 2.282 6.578 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.297 1.550 5.372 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.048 1.246 5.294 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.903 4.156 5.905 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.601 3.176 4.594 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.883 4.763 4.232 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.502 3.074 1.238 1.00 0.00 N ATOM 1896 CA LEU 1 125 7.043 3.520 -0.014 1.00 0.00 C ATOM 1897 C LEU 1 125 7.922 2.481 -0.673 1.00 0.00 C ATOM 1898 O LEU 1 125 7.856 2.283 -1.884 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.875 4.767 0.215 1.00 0.00 C ATOM 1900 CG LEU 1 125 7.095 6.016 0.604 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.708 5.921 2.065 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.920 7.270 0.339 1.00 0.00 C ATOM 0 H LEU 1 125 6.764 3.652 2.037 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.198 3.717 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.604 4.557 0.998 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.436 4.980 -0.695 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.192 6.084 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.149 6.812 2.352 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.088 5.038 2.221 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.608 5.845 2.676 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.345 8.151 0.624 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.839 7.232 0.925 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 8.168 7.325 -0.721 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.790 1.858 0.114 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.727 0.897 -0.436 1.00 0.00 C ATOM 1916 C TYR 1 126 9.475 -0.509 0.068 1.00 0.00 C ATOM 1917 O TYR 1 126 9.738 -1.484 -0.638 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.145 1.335 -0.091 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.873 1.977 -1.244 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.354 3.104 -1.866 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 13.071 1.460 -1.713 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 12.009 3.699 -2.927 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.735 2.049 -2.774 1.00 0.00 C ATOM 1924 CZ TYR 1 126 13.200 3.167 -3.376 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.857 3.754 -4.432 1.00 0.00 O ATOM 0 H TYR 1 126 8.862 2.000 1.121 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.591 0.872 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 11.107 2.038 0.741 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.712 0.468 0.249 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.423 3.523 -1.515 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.492 0.584 -1.243 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.591 4.575 -3.402 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.667 1.635 -3.128 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.680 3.257 -4.622 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.986 -0.622 1.290 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.745 -1.945 1.842 1.00 0.00 C ATOM 1937 C GLY 1 127 9.830 -2.355 2.799 1.00 0.00 C ATOM 1938 O GLY 1 127 10.093 -3.542 2.996 1.00 0.00 O ATOM 0 H GLY 1 127 8.754 0.159 1.904 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.784 -1.955 2.356 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.681 -2.671 1.032 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.465 -1.358 3.395 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.519 -1.587 4.338 1.00 0.00 C ATOM 1944 C LYS 1 128 10.960 -2.043 5.680 1.00 0.00 C ATOM 1945 O LYS 1 128 11.765 -2.353 6.582 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.285 -0.295 4.525 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.960 0.197 3.266 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.138 1.100 3.604 1.00 0.00 C ATOM 1949 CE LYS 1 128 15.029 1.342 2.395 1.00 0.00 C ATOM 1950 NZ LYS 1 128 16.213 2.180 2.736 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.719 -2.086 5.818 1.00 0.00 O ATOM 0 H LYS 1 128 10.256 -0.373 3.231 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.174 -2.371 3.958 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.601 0.474 4.885 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.039 -0.438 5.299 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.304 -0.653 2.676 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.243 0.741 2.652 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.769 2.054 3.980 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.725 0.648 4.404 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.365 0.386 1.994 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 14.452 1.831 1.611 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 16.909 2.128 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 15.914 3.168 2.866 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 16.644 1.831 3.616 1.00 0.00 H new