USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 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 36 ASN : amide:sc= -1.48! C(o=-1.1!,f=-17!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -118:sc= 0.332 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.85! C(o=-1.9!,f=-5.5!) USER MOD Single : A 19 MET CE :methyl -173:sc= -0.0175 (180deg=-0.193) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.647 (180deg=-0.787) USER MOD Single : A 24 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.022) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -5.82 K(o=-5.8,f=-12!) USER MOD Single : A 29 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 30 SER OG : rot -160:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.099 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -79:sc= 0.843 USER MOD Single : A 51 THR OG1 : rot 62:sc= 0.0545! USER MOD Single : A 54 SER OG : rot 125:sc= 0.692 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.8 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc=-0.00468 K(o=-0.0047,f=-1.7!) USER MOD Single : A 65 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.4!) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0734) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0.312 (180deg=0.303) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 5.860 -2.067 3.820 1.00 0.00 N ATOM 13 CA CYS A 2 5.968 -3.500 3.528 1.00 0.00 C ATOM 14 C CYS A 2 5.868 -4.326 4.819 1.00 0.00 C ATOM 15 O CYS A 2 6.328 -3.901 5.880 1.00 0.00 O ATOM 16 CB CYS A 2 7.308 -3.803 2.804 1.00 0.00 C ATOM 17 SG CYS A 2 7.024 -4.933 1.412 1.00 0.00 S ATOM 0 HA CYS A 2 5.142 -3.779 2.874 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.754 -2.876 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.016 -4.247 3.504 1.00 0.00 H new ATOM 22 N TYR A 3 5.272 -5.515 4.714 1.00 0.00 N ATOM 23 CA TYR A 3 5.126 -6.406 5.867 1.00 0.00 C ATOM 24 C TYR A 3 5.087 -7.867 5.416 1.00 0.00 C ATOM 25 O TYR A 3 4.914 -8.158 4.232 1.00 0.00 O ATOM 26 CB TYR A 3 3.866 -6.054 6.648 1.00 0.00 C ATOM 27 CG TYR A 3 2.716 -5.888 5.690 1.00 0.00 C ATOM 28 CD1 TYR A 3 2.548 -4.678 5.008 1.00 0.00 C ATOM 29 CD2 TYR A 3 1.820 -6.939 5.482 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.482 -4.518 4.118 1.00 0.00 C ATOM 31 CE2 TYR A 3 0.753 -6.781 4.593 1.00 0.00 C ATOM 32 CZ TYR A 3 0.584 -5.569 3.911 1.00 0.00 C ATOM 33 OH TYR A 3 -0.470 -5.413 3.033 1.00 0.00 O ATOM 0 H TYR A 3 4.884 -5.883 3.845 1.00 0.00 H new ATOM 0 HA TYR A 3 5.989 -6.273 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.642 -6.838 7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.019 -5.134 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.243 -3.867 5.169 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.951 -7.873 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.352 -3.584 3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.059 -7.593 4.432 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.997 -6.239 3.005 1.00 0.00 H new ATOM 43 N PHE A 4 5.274 -8.784 6.370 1.00 0.00 N ATOM 44 CA PHE A 4 5.286 -10.222 6.063 1.00 0.00 C ATOM 45 C PHE A 4 4.087 -10.950 6.666 1.00 0.00 C ATOM 46 O PHE A 4 3.896 -10.964 7.882 1.00 0.00 O ATOM 47 CB PHE A 4 6.562 -10.847 6.619 1.00 0.00 C ATOM 48 CG PHE A 4 7.749 -10.366 5.821 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.083 -10.996 4.617 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.514 -9.292 6.289 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.185 -10.548 3.880 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.615 -8.845 5.551 1.00 0.00 C ATOM 53 CZ PHE A 4 9.951 -9.474 4.345 1.00 0.00 C ATOM 0 H PHE A 4 5.418 -8.561 7.355 1.00 0.00 H new ATOM 0 HA PHE A 4 5.238 -10.324 4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.683 -10.579 7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.497 -11.934 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.492 -11.825 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.255 -8.809 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.445 -11.032 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.206 -8.015 5.911 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.801 -9.130 3.775 1.00 0.00 H new ATOM 63 N ILE A 5 3.301 -11.578 5.799 1.00 0.00 N ATOM 64 CA ILE A 5 2.130 -12.346 6.223 1.00 0.00 C ATOM 65 C ILE A 5 2.454 -13.848 6.138 1.00 0.00 C ATOM 66 O ILE A 5 3.008 -14.291 5.135 1.00 0.00 O ATOM 67 CB ILE A 5 0.959 -12.036 5.285 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.671 -10.532 5.288 1.00 0.00 C ATOM 69 CG2 ILE A 5 -0.295 -12.787 5.732 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.389 -10.186 4.220 1.00 0.00 C ATOM 0 H ILE A 5 3.453 -11.572 4.790 1.00 0.00 H new ATOM 0 HA ILE A 5 1.866 -12.080 7.247 1.00 0.00 H new ATOM 0 HB ILE A 5 1.230 -12.356 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.319 -10.225 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.589 -9.979 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.118 -12.556 5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.102 -13.860 5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.561 -12.481 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.583 -9.114 4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.021 -10.475 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.312 -10.725 4.435 1.00 0.00 H new ATOM 82 N PRO A 6 2.130 -14.651 7.130 1.00 0.00 N ATOM 83 CA PRO A 6 2.416 -16.113 7.066 1.00 0.00 C ATOM 84 C PRO A 6 1.448 -16.849 6.139 1.00 0.00 C ATOM 85 O PRO A 6 0.320 -16.408 5.922 1.00 0.00 O ATOM 86 CB PRO A 6 2.272 -16.582 8.520 1.00 0.00 C ATOM 87 CG PRO A 6 1.321 -15.613 9.156 1.00 0.00 C ATOM 88 CD PRO A 6 1.472 -14.280 8.401 1.00 0.00 C ATOM 0 HA PRO A 6 3.403 -16.321 6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.887 -17.600 8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.235 -16.581 9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.296 -15.979 9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.549 -15.486 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.504 -13.811 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.073 -13.568 8.967 1.00 0.00 H new ATOM 96 N ASN A 7 1.901 -17.980 5.608 1.00 0.00 N ATOM 97 CA ASN A 7 1.070 -18.779 4.721 1.00 0.00 C ATOM 98 C ASN A 7 -0.093 -19.368 5.506 1.00 0.00 C ATOM 99 O ASN A 7 -1.057 -19.866 4.928 1.00 0.00 O ATOM 100 CB ASN A 7 1.897 -19.908 4.105 1.00 0.00 C ATOM 101 CG ASN A 7 2.412 -20.835 5.203 1.00 0.00 C ATOM 102 OD1 ASN A 7 2.113 -20.634 6.380 1.00 0.00 O ATOM 103 ND2 ASN A 7 3.172 -21.848 4.885 1.00 0.00 N ATOM 0 H ASN A 7 2.832 -18.360 5.776 1.00 0.00 H new ATOM 0 HA ASN A 7 0.686 -18.143 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.289 -20.471 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.735 -19.493 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.519 -22.474 5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.419 -22.014 3.909 1.00 0.00 H new ATOM 252 N CYS A 18 -2.685 -18.890 0.167 1.00 0.00 N ATOM 253 CA CYS A 18 -2.392 -17.495 -0.187 1.00 0.00 C ATOM 254 C CYS A 18 -3.337 -17.018 -1.291 1.00 0.00 C ATOM 255 O CYS A 18 -2.902 -16.698 -2.398 1.00 0.00 O ATOM 256 CB CYS A 18 -0.939 -17.356 -0.658 1.00 0.00 C ATOM 257 SG CYS A 18 -0.593 -18.551 -1.970 1.00 0.00 S ATOM 0 HA CYS A 18 -2.538 -16.879 0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.762 -16.344 -1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.260 -17.517 0.179 1.00 0.00 H new ATOM 262 N MET A 19 -4.632 -16.976 -0.977 1.00 0.00 N ATOM 263 CA MET A 19 -5.649 -16.543 -1.939 1.00 0.00 C ATOM 264 C MET A 19 -6.142 -15.153 -1.567 1.00 0.00 C ATOM 265 O MET A 19 -6.203 -14.800 -0.391 1.00 0.00 O ATOM 266 CB MET A 19 -6.828 -17.526 -1.931 1.00 0.00 C ATOM 267 CG MET A 19 -7.842 -17.126 -3.009 1.00 0.00 C ATOM 268 SD MET A 19 -9.250 -18.268 -2.971 1.00 0.00 S ATOM 269 CE MET A 19 -8.738 -19.333 -4.345 1.00 0.00 C ATOM 0 H MET A 19 -5.003 -17.237 -0.063 1.00 0.00 H new ATOM 0 HA MET A 19 -5.211 -16.519 -2.937 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.470 -18.539 -2.113 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.306 -17.528 -0.951 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.184 -16.105 -2.840 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.371 -17.146 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.536 -20.040 -4.574 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.532 -18.721 -5.223 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.838 -19.880 -4.065 1.00 0.00 H new ATOM 279 N ASP A 20 -6.487 -14.363 -2.577 1.00 0.00 N ATOM 280 CA ASP A 20 -6.968 -13.006 -2.341 1.00 0.00 C ATOM 281 C ASP A 20 -8.454 -13.010 -1.999 1.00 0.00 C ATOM 282 O ASP A 20 -9.118 -14.044 -2.070 1.00 0.00 O ATOM 283 CB ASP A 20 -6.722 -12.142 -3.576 1.00 0.00 C ATOM 284 CG ASP A 20 -7.456 -12.726 -4.777 1.00 0.00 C ATOM 285 OD1 ASP A 20 -8.319 -13.563 -4.569 1.00 0.00 O ATOM 286 OD2 ASP A 20 -7.146 -12.326 -5.887 1.00 0.00 O ATOM 0 H ASP A 20 -6.444 -14.635 -3.559 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.420 -12.590 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.064 -11.124 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.653 -12.087 -3.784 1.00 0.00 H new ATOM 291 N LEU A 21 -8.963 -11.845 -1.616 1.00 0.00 N ATOM 292 CA LEU A 21 -10.366 -11.705 -1.245 1.00 0.00 C ATOM 293 C LEU A 21 -11.282 -11.951 -2.446 1.00 0.00 C ATOM 294 O LEU A 21 -12.451 -12.300 -2.280 1.00 0.00 O ATOM 295 CB LEU A 21 -10.612 -10.295 -0.677 1.00 0.00 C ATOM 296 CG LEU A 21 -10.165 -10.241 0.789 1.00 0.00 C ATOM 297 CD1 LEU A 21 -8.686 -10.628 0.893 1.00 0.00 C ATOM 298 CD2 LEU A 21 -10.360 -8.823 1.330 1.00 0.00 C ATOM 0 H LEU A 21 -8.424 -10.982 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.597 -12.452 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.063 -9.557 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.669 -10.041 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.763 -10.940 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.372 -10.588 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.547 -11.639 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.086 -9.932 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.042 -8.784 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.764 -8.124 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.413 -8.549 1.261 1.00 0.00 H new ATOM 310 N LYS A 22 -10.750 -11.780 -3.652 1.00 0.00 N ATOM 311 CA LYS A 22 -11.544 -11.999 -4.858 1.00 0.00 C ATOM 312 C LYS A 22 -11.935 -13.468 -4.984 1.00 0.00 C ATOM 313 O LYS A 22 -13.058 -13.790 -5.375 1.00 0.00 O ATOM 314 CB LYS A 22 -10.748 -11.573 -6.102 1.00 0.00 C ATOM 315 CG LYS A 22 -10.679 -10.036 -6.212 1.00 0.00 C ATOM 316 CD LYS A 22 -9.537 -9.496 -5.348 1.00 0.00 C ATOM 317 CE LYS A 22 -9.432 -7.983 -5.537 1.00 0.00 C ATOM 318 NZ LYS A 22 -8.317 -7.453 -4.708 1.00 0.00 N ATOM 0 H LYS A 22 -9.785 -11.494 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.449 -11.396 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.740 -11.984 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.215 -11.985 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.528 -9.745 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.625 -9.598 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.717 -9.731 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.598 -9.975 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.261 -7.749 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.369 -7.505 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.448 -6.432 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.310 -7.936 -3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.413 -7.621 -5.194 1.00 0.00 H new ATOM 332 N GLY A 23 -10.995 -14.361 -4.671 1.00 0.00 N ATOM 333 CA GLY A 23 -11.233 -15.804 -4.771 1.00 0.00 C ATOM 334 C GLY A 23 -10.333 -16.394 -5.849 1.00 0.00 C ATOM 335 O GLY A 23 -10.503 -17.540 -6.267 1.00 0.00 O ATOM 0 H GLY A 23 -10.061 -14.112 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.033 -16.284 -3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.279 -15.995 -5.011 1.00 0.00 H new ATOM 339 N ASN A 24 -9.379 -15.582 -6.300 1.00 0.00 N ATOM 340 CA ASN A 24 -8.444 -15.995 -7.344 1.00 0.00 C ATOM 341 C ASN A 24 -7.198 -16.634 -6.743 1.00 0.00 C ATOM 342 O ASN A 24 -6.542 -16.055 -5.877 1.00 0.00 O ATOM 343 CB ASN A 24 -8.043 -14.779 -8.179 1.00 0.00 C ATOM 344 CG ASN A 24 -9.243 -14.272 -8.973 1.00 0.00 C ATOM 345 OD1 ASN A 24 -9.373 -13.069 -9.197 1.00 0.00 O ATOM 346 ND2 ASN A 24 -10.129 -15.121 -9.416 1.00 0.00 N ATOM 0 H ASN A 24 -9.233 -14.632 -5.958 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.938 -16.734 -7.975 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.667 -13.989 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.233 -15.045 -8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.932 -14.788 -9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.019 -16.118 -9.229 1.00 0.00 H new ATOM 353 N LYS A 25 -6.871 -17.829 -7.224 1.00 0.00 N ATOM 354 CA LYS A 25 -5.699 -18.548 -6.742 1.00 0.00 C ATOM 355 C LYS A 25 -4.424 -17.852 -7.208 1.00 0.00 C ATOM 356 O LYS A 25 -4.399 -17.230 -8.270 1.00 0.00 O ATOM 357 CB LYS A 25 -5.719 -19.994 -7.263 1.00 0.00 C ATOM 358 CG LYS A 25 -4.915 -20.904 -6.323 1.00 0.00 C ATOM 359 CD LYS A 25 -5.017 -22.363 -6.789 1.00 0.00 C ATOM 360 CE LYS A 25 -6.422 -22.919 -6.517 1.00 0.00 C ATOM 361 NZ LYS A 25 -6.365 -24.407 -6.504 1.00 0.00 N ATOM 0 H LYS A 25 -7.400 -18.318 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.720 -18.558 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.747 -20.349 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.298 -20.033 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.871 -20.591 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.292 -20.812 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.794 -22.427 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.273 -22.969 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.794 -22.549 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.117 -22.576 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.315 -24.789 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.026 -24.750 -7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.714 -24.723 -5.757 1.00 0.00 H new ATOM 375 N HIS A 26 -3.367 -17.963 -6.408 1.00 0.00 N ATOM 376 CA HIS A 26 -2.085 -17.339 -6.744 1.00 0.00 C ATOM 377 C HIS A 26 -0.931 -18.335 -6.569 1.00 0.00 C ATOM 378 O HIS A 26 -0.382 -18.461 -5.474 1.00 0.00 O ATOM 379 CB HIS A 26 -1.847 -16.138 -5.833 1.00 0.00 C ATOM 380 CG HIS A 26 -3.026 -15.201 -5.923 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.514 -14.739 -7.136 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.822 -14.631 -4.959 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.558 -13.930 -6.873 1.00 0.00 C ATOM 384 NE2 HIS A 26 -4.787 -13.829 -5.562 1.00 0.00 N ATOM 0 H HIS A 26 -3.370 -18.476 -5.526 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.121 -17.020 -7.786 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.709 -16.470 -4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.934 -15.620 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -3.149 -14.970 -8.060 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.715 -14.782 -3.895 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.139 -13.425 -7.630 1.00 0.00 H new ATOM 393 N PRO A 27 -0.547 -19.040 -7.611 1.00 0.00 N ATOM 394 CA PRO A 27 0.574 -20.029 -7.542 1.00 0.00 C ATOM 395 C PRO A 27 1.860 -19.388 -7.022 1.00 0.00 C ATOM 396 O PRO A 27 1.875 -18.213 -6.662 1.00 0.00 O ATOM 397 CB PRO A 27 0.734 -20.503 -8.996 1.00 0.00 C ATOM 398 CG PRO A 27 -0.595 -20.250 -9.627 1.00 0.00 C ATOM 399 CD PRO A 27 -1.127 -18.984 -8.965 1.00 0.00 C ATOM 0 HA PRO A 27 0.366 -20.847 -6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.525 -19.954 -9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.999 -21.559 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.499 -20.118 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.271 -21.090 -9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.813 -18.088 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.217 -18.973 -8.936 1.00 0.00 H new ATOM 407 N ILE A 28 2.940 -20.158 -6.990 1.00 0.00 N ATOM 408 CA ILE A 28 4.210 -19.618 -6.522 1.00 0.00 C ATOM 409 C ILE A 28 4.794 -18.684 -7.577 1.00 0.00 C ATOM 410 O ILE A 28 4.618 -18.897 -8.775 1.00 0.00 O ATOM 411 CB ILE A 28 5.210 -20.746 -6.235 1.00 0.00 C ATOM 412 CG1 ILE A 28 4.637 -21.711 -5.183 1.00 0.00 C ATOM 413 CG2 ILE A 28 6.531 -20.151 -5.735 1.00 0.00 C ATOM 414 CD1 ILE A 28 4.256 -20.968 -3.894 1.00 0.00 C ATOM 0 H ILE A 28 2.964 -21.137 -7.276 1.00 0.00 H new ATOM 0 HA ILE A 28 4.028 -19.067 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 28 5.391 -21.301 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.759 -22.215 -5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.372 -22.484 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.239 -20.955 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.943 -19.489 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.352 -19.586 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.854 -21.677 -3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.140 -20.486 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.503 -20.213 -4.118 1.00 0.00 H new ATOM 426 N ASN A 29 5.483 -17.647 -7.115 1.00 0.00 N ATOM 427 CA ASN A 29 6.100 -16.668 -8.006 1.00 0.00 C ATOM 428 C ASN A 29 5.049 -15.783 -8.674 1.00 0.00 C ATOM 429 O ASN A 29 5.387 -14.865 -9.422 1.00 0.00 O ATOM 430 CB ASN A 29 6.939 -17.369 -9.084 1.00 0.00 C ATOM 431 CG ASN A 29 7.934 -16.386 -9.693 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.781 -15.173 -9.542 1.00 0.00 O ATOM 433 ND2 ASN A 29 8.949 -16.837 -10.377 1.00 0.00 N ATOM 0 H ASN A 29 5.630 -17.461 -6.123 1.00 0.00 H new ATOM 0 HA ASN A 29 6.749 -16.038 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.471 -18.215 -8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.287 -17.768 -9.861 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.617 -16.185 -10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.074 -17.842 -10.501 1.00 0.00 H new ATOM 440 N SER A 30 3.772 -16.045 -8.388 1.00 0.00 N ATOM 441 CA SER A 30 2.690 -15.241 -8.955 1.00 0.00 C ATOM 442 C SER A 30 2.361 -14.089 -8.011 1.00 0.00 C ATOM 443 O SER A 30 2.441 -14.237 -6.790 1.00 0.00 O ATOM 444 CB SER A 30 1.438 -16.100 -9.187 1.00 0.00 C ATOM 445 OG SER A 30 1.623 -16.884 -10.356 1.00 0.00 O ATOM 0 H SER A 30 3.465 -16.799 -7.774 1.00 0.00 H new ATOM 0 HA SER A 30 3.017 -14.844 -9.916 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.259 -16.745 -8.326 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.560 -15.463 -9.296 1.00 0.00 H new ATOM 0 HG SER A 30 0.752 -17.183 -10.691 1.00 0.00 H new ATOM 451 N GLU A 31 1.992 -12.944 -8.577 1.00 0.00 N ATOM 452 CA GLU A 31 1.649 -11.767 -7.775 1.00 0.00 C ATOM 453 C GLU A 31 0.248 -11.294 -8.137 1.00 0.00 C ATOM 454 O GLU A 31 -0.188 -11.440 -9.278 1.00 0.00 O ATOM 455 CB GLU A 31 2.650 -10.643 -8.046 1.00 0.00 C ATOM 456 CG GLU A 31 4.062 -11.125 -7.716 1.00 0.00 C ATOM 457 CD GLU A 31 5.076 -10.031 -8.030 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.667 -8.997 -8.533 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.249 -10.247 -7.771 1.00 0.00 O ATOM 0 H GLU A 31 1.922 -12.803 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 31 1.684 -12.033 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.594 -10.336 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.403 -9.769 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.124 -11.398 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.292 -12.021 -8.292 1.00 0.00 H new ATOM 466 N TRP A 32 -0.458 -10.731 -7.159 1.00 0.00 N ATOM 467 CA TRP A 32 -1.820 -10.245 -7.388 1.00 0.00 C ATOM 468 C TRP A 32 -2.060 -8.944 -6.628 1.00 0.00 C ATOM 469 O TRP A 32 -1.432 -8.689 -5.600 1.00 0.00 O ATOM 470 CB TRP A 32 -2.827 -11.301 -6.926 1.00 0.00 C ATOM 471 CG TRP A 32 -2.668 -11.538 -5.458 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.428 -10.969 -4.495 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.709 -12.392 -4.770 1.00 0.00 C ATOM 474 NE1 TRP A 32 -2.997 -11.419 -3.259 1.00 0.00 N ATOM 475 CE2 TRP A 32 -1.939 -12.301 -3.377 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.674 -13.227 -5.215 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.166 -13.018 -2.457 1.00 0.00 C ATOM 478 CZ3 TRP A 32 0.105 -13.949 -4.298 1.00 0.00 C ATOM 479 CH2 TRP A 32 -0.141 -13.845 -2.918 1.00 0.00 C ATOM 0 H TRP A 32 -0.115 -10.600 -6.207 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.948 -10.056 -8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.842 -10.969 -7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.671 -12.231 -7.474 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.239 -10.276 -4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.409 -11.135 -2.370 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.475 -13.315 -6.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.361 -12.932 -1.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.899 -14.589 -4.655 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.461 -14.403 -2.217 1.00 0.00 H new ATOM 490 N GLN A 33 -2.976 -8.126 -7.143 1.00 0.00 N ATOM 491 CA GLN A 33 -3.298 -6.851 -6.512 1.00 0.00 C ATOM 492 C GLN A 33 -4.423 -7.036 -5.498 1.00 0.00 C ATOM 493 O GLN A 33 -5.401 -7.734 -5.766 1.00 0.00 O ATOM 494 CB GLN A 33 -3.724 -5.838 -7.576 1.00 0.00 C ATOM 495 CG GLN A 33 -3.936 -4.472 -6.923 1.00 0.00 C ATOM 496 CD GLN A 33 -4.182 -3.417 -7.997 1.00 0.00 C ATOM 497 OE1 GLN A 33 -5.167 -3.491 -8.730 1.00 0.00 O ATOM 498 NE2 GLN A 33 -3.333 -2.435 -8.133 1.00 0.00 N ATOM 0 H GLN A 33 -3.506 -8.324 -7.992 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.413 -6.480 -5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.962 -5.768 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.643 -6.168 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.784 -4.513 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.062 -4.203 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.518 -2.378 -7.523 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.485 -1.725 -8.849 1.00 0.00 H new ATOM 507 N THR A 34 -4.272 -6.421 -4.329 1.00 0.00 N ATOM 508 CA THR A 34 -5.275 -6.537 -3.270 1.00 0.00 C ATOM 509 C THR A 34 -5.407 -5.229 -2.506 1.00 0.00 C ATOM 510 O THR A 34 -4.490 -4.411 -2.509 1.00 0.00 O ATOM 511 CB THR A 34 -4.862 -7.644 -2.301 1.00 0.00 C ATOM 512 OG1 THR A 34 -5.717 -7.618 -1.166 1.00 0.00 O ATOM 513 CG2 THR A 34 -3.409 -7.428 -1.860 1.00 0.00 C ATOM 0 H THR A 34 -3.469 -5.839 -4.089 1.00 0.00 H new ATOM 0 HA THR A 34 -6.236 -6.775 -3.726 1.00 0.00 H new ATOM 0 HB THR A 34 -4.945 -8.612 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.456 -8.328 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.117 -8.219 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.757 -7.450 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.319 -6.462 -1.364 1.00 0.00 H new ATOM 521 N ASP A 35 -6.548 -5.052 -1.842 1.00 0.00 N ATOM 522 CA ASP A 35 -6.793 -3.845 -1.061 1.00 0.00 C ATOM 523 C ASP A 35 -6.454 -2.589 -1.862 1.00 0.00 C ATOM 524 O ASP A 35 -5.900 -2.653 -2.961 1.00 0.00 O ATOM 525 CB ASP A 35 -5.968 -3.881 0.234 1.00 0.00 C ATOM 526 CG ASP A 35 -6.583 -4.840 1.247 1.00 0.00 C ATOM 527 OD1 ASP A 35 -7.727 -5.219 1.064 1.00 0.00 O ATOM 528 OD2 ASP A 35 -5.896 -5.180 2.197 1.00 0.00 O ATOM 0 H ASP A 35 -7.313 -5.727 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.854 -3.812 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.947 -4.189 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.913 -2.880 0.662 1.00 0.00 H new ATOM 533 N ASN A 36 -6.817 -1.443 -1.308 1.00 0.00 N ATOM 534 CA ASN A 36 -6.580 -0.173 -1.965 1.00 0.00 C ATOM 535 C ASN A 36 -5.089 0.080 -2.125 1.00 0.00 C ATOM 536 O ASN A 36 -4.393 0.424 -1.169 1.00 0.00 O ATOM 537 CB ASN A 36 -7.195 0.959 -1.146 1.00 0.00 C ATOM 538 CG ASN A 36 -8.717 0.882 -1.194 1.00 0.00 C ATOM 539 OD1 ASN A 36 -9.281 0.226 -2.069 1.00 0.00 O ATOM 540 ND2 ASN A 36 -9.423 1.517 -0.296 1.00 0.00 N ATOM 0 H ASN A 36 -7.278 -1.369 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.042 -0.208 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.854 0.896 -0.113 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.861 1.921 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.442 1.469 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.955 2.061 0.429 1.00 0.00 H new ATOM 547 N CYS A 37 -4.624 -0.085 -3.347 1.00 0.00 N ATOM 548 CA CYS A 37 -3.219 0.134 -3.667 1.00 0.00 C ATOM 549 C CYS A 37 -2.301 -0.717 -2.792 1.00 0.00 C ATOM 550 O CYS A 37 -1.428 -0.190 -2.102 1.00 0.00 O ATOM 551 CB CYS A 37 -2.885 1.613 -3.478 1.00 0.00 C ATOM 552 SG CYS A 37 -4.053 2.614 -4.428 1.00 0.00 S ATOM 0 H CYS A 37 -5.197 -0.371 -4.141 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.056 -0.161 -4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.937 1.877 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.865 1.813 -3.807 1.00 0.00 H new ATOM 557 N GLU A 38 -2.471 -2.038 -2.857 1.00 0.00 N ATOM 558 CA GLU A 38 -1.622 -2.967 -2.112 1.00 0.00 C ATOM 559 C GLU A 38 -1.461 -4.228 -2.965 1.00 0.00 C ATOM 560 O GLU A 38 -2.416 -4.665 -3.608 1.00 0.00 O ATOM 561 CB GLU A 38 -2.240 -3.333 -0.742 1.00 0.00 C ATOM 562 CG GLU A 38 -3.065 -2.167 -0.180 1.00 0.00 C ATOM 563 CD GLU A 38 -2.135 -1.028 0.202 1.00 0.00 C ATOM 564 OE1 GLU A 38 -0.949 -1.280 0.318 1.00 0.00 O ATOM 565 OE2 GLU A 38 -2.617 0.081 0.359 1.00 0.00 O ATOM 0 H GLU A 38 -3.192 -2.489 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.658 -2.499 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.874 -4.213 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.448 -3.594 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.788 -1.828 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.633 -2.495 0.691 1.00 0.00 H new ATOM 572 N THR A 39 -0.261 -4.809 -2.993 1.00 0.00 N ATOM 573 CA THR A 39 -0.021 -6.014 -3.800 1.00 0.00 C ATOM 574 C THR A 39 0.722 -7.069 -2.991 1.00 0.00 C ATOM 575 O THR A 39 1.738 -6.779 -2.362 1.00 0.00 O ATOM 576 CB THR A 39 0.802 -5.640 -5.032 1.00 0.00 C ATOM 577 OG1 THR A 39 0.170 -4.558 -5.701 1.00 0.00 O ATOM 578 CG2 THR A 39 0.892 -6.831 -5.987 1.00 0.00 C ATOM 0 H THR A 39 0.552 -4.474 -2.476 1.00 0.00 H new ATOM 0 HA THR A 39 -0.982 -6.428 -4.105 1.00 0.00 H new ATOM 0 HB THR A 39 1.806 -5.356 -4.718 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.694 -4.312 -6.492 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.481 -6.553 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.370 -7.669 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.110 -7.121 -6.302 1.00 0.00 H new ATOM 586 N CYS A 40 0.204 -8.302 -3.014 1.00 0.00 N ATOM 587 CA CYS A 40 0.814 -9.410 -2.276 1.00 0.00 C ATOM 588 C CYS A 40 1.361 -10.483 -3.214 1.00 0.00 C ATOM 589 O CYS A 40 0.991 -10.561 -4.387 1.00 0.00 O ATOM 590 CB CYS A 40 -0.213 -10.024 -1.316 1.00 0.00 C ATOM 591 SG CYS A 40 -0.811 -8.793 -0.118 1.00 0.00 S ATOM 0 H CYS A 40 -0.635 -8.556 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 40 1.654 -9.010 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.054 -10.421 -1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.237 -10.863 -0.785 1.00 0.00 H new ATOM 596 N THR A 41 2.273 -11.300 -2.672 1.00 0.00 N ATOM 597 CA THR A 41 2.924 -12.375 -3.429 1.00 0.00 C ATOM 598 C THR A 41 2.939 -13.677 -2.627 1.00 0.00 C ATOM 599 O THR A 41 3.087 -13.662 -1.408 1.00 0.00 O ATOM 600 CB THR A 41 4.365 -11.970 -3.742 1.00 0.00 C ATOM 601 OG1 THR A 41 4.370 -10.737 -4.447 1.00 0.00 O ATOM 602 CG2 THR A 41 5.030 -13.055 -4.587 1.00 0.00 C ATOM 0 H THR A 41 2.579 -11.235 -1.701 1.00 0.00 H new ATOM 0 HA THR A 41 2.364 -12.536 -4.350 1.00 0.00 H new ATOM 0 HB THR A 41 4.920 -11.852 -2.811 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.294 -10.478 -4.646 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.057 -12.765 -4.809 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.030 -13.996 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.478 -13.180 -5.519 1.00 0.00 H new ATOM 610 N CYS A 42 2.789 -14.807 -3.322 1.00 0.00 N ATOM 611 CA CYS A 42 2.788 -16.119 -2.669 1.00 0.00 C ATOM 612 C CYS A 42 4.121 -16.826 -2.881 1.00 0.00 C ATOM 613 O CYS A 42 4.595 -16.953 -4.011 1.00 0.00 O ATOM 614 CB CYS A 42 1.665 -16.997 -3.246 1.00 0.00 C ATOM 615 SG CYS A 42 1.414 -18.445 -2.190 1.00 0.00 S ATOM 0 H CYS A 42 2.667 -14.841 -4.334 1.00 0.00 H new ATOM 0 HA CYS A 42 2.627 -15.964 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.741 -16.422 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.921 -17.313 -4.257 1.00 0.00 H new ATOM 620 N TYR A 43 4.706 -17.313 -1.789 1.00 0.00 N ATOM 621 CA TYR A 43 5.976 -18.052 -1.840 1.00 0.00 C ATOM 622 C TYR A 43 5.738 -19.485 -1.377 1.00 0.00 C ATOM 623 O TYR A 43 4.607 -19.874 -1.090 1.00 0.00 O ATOM 624 CB TYR A 43 7.057 -17.398 -0.963 1.00 0.00 C ATOM 625 CG TYR A 43 7.569 -16.139 -1.623 1.00 0.00 C ATOM 626 CD1 TYR A 43 6.886 -14.929 -1.456 1.00 0.00 C ATOM 627 CD2 TYR A 43 8.737 -16.183 -2.399 1.00 0.00 C ATOM 628 CE1 TYR A 43 7.368 -13.765 -2.066 1.00 0.00 C ATOM 629 CE2 TYR A 43 9.217 -15.019 -3.008 1.00 0.00 C ATOM 630 CZ TYR A 43 8.534 -13.809 -2.841 1.00 0.00 C ATOM 631 OH TYR A 43 9.007 -12.661 -3.444 1.00 0.00 O ATOM 0 H TYR A 43 4.322 -17.211 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 43 6.335 -18.038 -2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.646 -17.162 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.880 -18.096 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.988 -14.893 -0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.266 -17.116 -2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.840 -12.831 -1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.115 -15.054 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 43 9.825 -12.867 -3.943 1.00 0.00 H new ATOM 641 N GLU A 44 6.802 -20.267 -1.337 1.00 0.00 N ATOM 642 CA GLU A 44 6.694 -21.668 -0.936 1.00 0.00 C ATOM 643 C GLU A 44 5.876 -21.835 0.343 1.00 0.00 C ATOM 644 O GLU A 44 4.917 -22.607 0.374 1.00 0.00 O ATOM 645 CB GLU A 44 8.090 -22.247 -0.715 1.00 0.00 C ATOM 646 CG GLU A 44 8.813 -22.360 -2.057 1.00 0.00 C ATOM 647 CD GLU A 44 8.166 -23.446 -2.908 1.00 0.00 C ATOM 648 OE1 GLU A 44 7.507 -24.302 -2.340 1.00 0.00 O ATOM 649 OE2 GLU A 44 8.338 -23.406 -4.113 1.00 0.00 O ATOM 0 H GLU A 44 7.746 -19.964 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 44 6.182 -22.201 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.657 -21.609 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.018 -23.228 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.775 -21.405 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.865 -22.593 -1.894 1.00 0.00 H new ATOM 656 N THR A 45 6.264 -21.130 1.403 1.00 0.00 N ATOM 657 CA THR A 45 5.557 -21.236 2.681 1.00 0.00 C ATOM 658 C THR A 45 5.478 -19.885 3.385 1.00 0.00 C ATOM 659 O THR A 45 5.485 -19.824 4.614 1.00 0.00 O ATOM 660 CB THR A 45 6.289 -22.236 3.577 1.00 0.00 C ATOM 661 OG1 THR A 45 7.601 -21.758 3.845 1.00 0.00 O ATOM 662 CG2 THR A 45 6.374 -23.588 2.866 1.00 0.00 C ATOM 0 H THR A 45 7.055 -20.486 1.406 1.00 0.00 H new ATOM 0 HA THR A 45 4.540 -21.576 2.486 1.00 0.00 H new ATOM 0 HB THR A 45 5.746 -22.352 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.071 -22.397 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.896 -24.302 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.368 -23.954 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.919 -23.473 1.929 1.00 0.00 H new ATOM 670 N GLU A 46 5.389 -18.805 2.612 1.00 0.00 N ATOM 671 CA GLU A 46 5.299 -17.466 3.197 1.00 0.00 C ATOM 672 C GLU A 46 4.684 -16.486 2.200 1.00 0.00 C ATOM 673 O GLU A 46 4.678 -16.727 0.997 1.00 0.00 O ATOM 674 CB GLU A 46 6.696 -16.944 3.585 1.00 0.00 C ATOM 675 CG GLU A 46 7.272 -17.758 4.749 1.00 0.00 C ATOM 676 CD GLU A 46 8.533 -17.086 5.281 1.00 0.00 C ATOM 677 OE1 GLU A 46 8.846 -16.002 4.816 1.00 0.00 O ATOM 678 OE2 GLU A 46 9.169 -17.667 6.145 1.00 0.00 O ATOM 0 H GLU A 46 5.377 -18.827 1.592 1.00 0.00 H new ATOM 0 HA GLU A 46 4.672 -17.539 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.364 -17.005 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.632 -15.893 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.532 -17.844 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.502 -18.770 4.417 1.00 0.00 H new ATOM 685 N ILE A 47 4.183 -15.363 2.708 1.00 0.00 N ATOM 686 CA ILE A 47 3.600 -14.323 1.860 1.00 0.00 C ATOM 687 C ILE A 47 4.237 -12.984 2.200 1.00 0.00 C ATOM 688 O ILE A 47 4.250 -12.564 3.355 1.00 0.00 O ATOM 689 CB ILE A 47 2.080 -14.252 2.068 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.407 -15.486 1.452 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.510 -12.986 1.417 1.00 0.00 C ATOM 692 CD1 ILE A 47 -0.053 -15.631 1.946 1.00 0.00 C ATOM 0 H ILE A 47 4.168 -15.148 3.705 1.00 0.00 H new ATOM 0 HA ILE A 47 3.792 -14.563 0.814 1.00 0.00 H new ATOM 0 HB ILE A 47 1.880 -14.224 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.420 -15.406 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.973 -16.380 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.432 -12.950 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.971 -12.107 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.721 -13.000 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.504 -16.514 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.061 -15.735 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.623 -14.746 1.662 1.00 0.00 H new ATOM 704 N SER A 48 4.738 -12.310 1.177 1.00 0.00 N ATOM 705 CA SER A 48 5.354 -10.998 1.342 1.00 0.00 C ATOM 706 C SER A 48 4.529 -9.994 0.564 1.00 0.00 C ATOM 707 O SER A 48 4.287 -10.181 -0.629 1.00 0.00 O ATOM 708 CB SER A 48 6.786 -11.010 0.810 1.00 0.00 C ATOM 709 OG SER A 48 7.525 -12.028 1.469 1.00 0.00 O ATOM 0 H SER A 48 4.731 -12.651 0.216 1.00 0.00 H new ATOM 0 HA SER A 48 5.386 -10.733 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.785 -11.185 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.255 -10.040 0.975 1.00 0.00 H new ATOM 0 HG SER A 48 7.802 -11.711 2.354 1.00 0.00 H new ATOM 715 N CYS A 49 4.068 -8.948 1.242 1.00 0.00 N ATOM 716 CA CYS A 49 3.229 -7.935 0.599 1.00 0.00 C ATOM 717 C CYS A 49 3.791 -6.536 0.767 1.00 0.00 C ATOM 718 O CYS A 49 4.101 -6.097 1.873 1.00 0.00 O ATOM 719 CB CYS A 49 1.812 -8.001 1.188 1.00 0.00 C ATOM 720 SG CYS A 49 0.613 -7.359 -0.010 1.00 0.00 S ATOM 0 H CYS A 49 4.258 -8.777 2.230 1.00 0.00 H new ATOM 0 HA CYS A 49 3.205 -8.149 -0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.564 -9.030 1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.765 -7.420 2.109 1.00 0.00 H new ATOM 725 N CYS A 50 3.882 -5.831 -0.359 1.00 0.00 N ATOM 726 CA CYS A 50 4.365 -4.457 -0.378 1.00 0.00 C ATOM 727 C CYS A 50 3.251 -3.570 -0.912 1.00 0.00 C ATOM 728 O CYS A 50 2.538 -3.930 -1.852 1.00 0.00 O ATOM 729 CB CYS A 50 5.650 -4.331 -1.235 1.00 0.00 C ATOM 730 SG CYS A 50 7.037 -3.739 -0.219 1.00 0.00 S ATOM 0 H CYS A 50 3.624 -6.195 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 50 4.631 -4.141 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.899 -5.298 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.477 -3.642 -2.062 1.00 0.00 H new ATOM 735 N THR A 51 3.102 -2.430 -0.277 1.00 0.00 N ATOM 736 CA THR A 51 2.065 -1.488 -0.649 1.00 0.00 C ATOM 737 C THR A 51 2.208 -1.060 -2.105 1.00 0.00 C ATOM 738 O THR A 51 2.550 -1.872 -2.957 1.00 0.00 O ATOM 739 CB THR A 51 2.109 -0.277 0.276 1.00 0.00 C ATOM 740 OG1 THR A 51 1.165 0.692 -0.158 1.00 0.00 O ATOM 741 CG2 THR A 51 3.514 0.324 0.263 1.00 0.00 C ATOM 0 H THR A 51 3.687 -2.130 0.503 1.00 0.00 H new ATOM 0 HA THR A 51 1.098 -1.979 -0.543 1.00 0.00 H new ATOM 0 HB THR A 51 1.860 -0.587 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.263 0.311 -0.118 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.545 1.190 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.232 -0.421 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.768 0.633 -0.751 1.00 0.00 H new ATOM 749 N LEU A 52 1.987 0.228 -2.355 1.00 0.00 N ATOM 750 CA LEU A 52 2.102 0.806 -3.691 1.00 0.00 C ATOM 751 C LEU A 52 2.343 2.321 -3.618 1.00 0.00 C ATOM 752 O LEU A 52 2.955 2.899 -4.515 1.00 0.00 O ATOM 753 CB LEU A 52 0.795 0.521 -4.464 1.00 0.00 C ATOM 754 CG LEU A 52 0.941 -0.745 -5.327 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.402 -1.449 -5.464 1.00 0.00 C ATOM 756 CD2 LEU A 52 1.464 -0.365 -6.710 1.00 0.00 C ATOM 0 H LEU A 52 1.723 0.901 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 52 2.953 0.356 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.029 0.396 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.548 1.373 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 52 1.646 -1.422 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.284 -2.343 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.767 -1.732 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.118 -0.777 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.567 -1.263 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.764 0.320 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.435 0.119 -6.611 1.00 0.00 H new ATOM 768 N VAL A 53 1.828 2.966 -2.569 1.00 0.00 N ATOM 769 CA VAL A 53 1.964 4.419 -2.424 1.00 0.00 C ATOM 770 C VAL A 53 3.242 4.810 -1.692 1.00 0.00 C ATOM 771 O VAL A 53 3.848 4.000 -0.992 1.00 0.00 O ATOM 772 CB VAL A 53 0.750 4.969 -1.669 1.00 0.00 C ATOM 773 CG1 VAL A 53 -0.558 4.557 -2.395 1.00 0.00 C ATOM 774 CG2 VAL A 53 0.755 4.416 -0.237 1.00 0.00 C ATOM 0 H VAL A 53 1.317 2.511 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 53 2.017 4.848 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 53 0.802 6.057 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.416 4.952 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.554 4.959 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.624 3.470 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.107 4.804 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.705 3.328 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.670 4.723 0.269 1.00 0.00 H new ATOM 784 N SER A 54 3.640 6.075 -1.861 1.00 0.00 N ATOM 785 CA SER A 54 4.844 6.599 -1.216 1.00 0.00 C ATOM 786 C SER A 54 4.472 7.346 0.064 1.00 0.00 C ATOM 787 O SER A 54 3.319 7.737 0.244 1.00 0.00 O ATOM 788 CB SER A 54 5.572 7.543 -2.170 1.00 0.00 C ATOM 789 OG SER A 54 4.837 8.755 -2.291 1.00 0.00 O ATOM 0 H SER A 54 3.145 6.754 -2.439 1.00 0.00 H new ATOM 0 HA SER A 54 5.500 5.766 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.576 7.750 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.684 7.074 -3.148 1.00 0.00 H new ATOM 0 HG SER A 54 5.419 9.513 -2.076 1.00 0.00 H new ATOM 795 N THR A 55 5.448 7.543 0.956 1.00 0.00 N ATOM 796 CA THR A 55 5.191 8.246 2.220 1.00 0.00 C ATOM 797 C THR A 55 5.779 9.665 2.197 1.00 0.00 C ATOM 798 O THR A 55 6.951 9.837 1.860 1.00 0.00 O ATOM 799 CB THR A 55 5.825 7.477 3.379 1.00 0.00 C ATOM 800 OG1 THR A 55 5.470 6.104 3.291 1.00 0.00 O ATOM 801 CG2 THR A 55 5.325 8.057 4.702 1.00 0.00 C ATOM 0 H THR A 55 6.411 7.231 0.831 1.00 0.00 H new ATOM 0 HA THR A 55 4.111 8.310 2.350 1.00 0.00 H new ATOM 0 HB THR A 55 6.910 7.569 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.879 5.612 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.775 7.511 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.603 9.109 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.240 7.965 4.753 1.00 0.00 H new ATOM 809 N PRO A 56 5.022 10.682 2.568 1.00 0.00 N ATOM 810 CA PRO A 56 5.536 12.082 2.597 1.00 0.00 C ATOM 811 C PRO A 56 6.366 12.333 3.851 1.00 0.00 C ATOM 812 O PRO A 56 5.917 12.059 4.964 1.00 0.00 O ATOM 813 CB PRO A 56 4.259 12.924 2.608 1.00 0.00 C ATOM 814 CG PRO A 56 3.271 12.081 3.347 1.00 0.00 C ATOM 815 CD PRO A 56 3.610 10.627 2.996 1.00 0.00 C ATOM 0 HA PRO A 56 6.193 12.313 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.417 13.881 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.918 13.143 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.341 12.249 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.251 12.326 3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.479 9.968 3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.967 10.248 2.202 1.00 0.00 H new ATOM 823 N VAL A 57 7.576 12.846 3.668 1.00 0.00 N ATOM 824 CA VAL A 57 8.459 13.120 4.799 1.00 0.00 C ATOM 825 C VAL A 57 9.277 14.378 4.535 1.00 0.00 C ATOM 826 O VAL A 57 9.672 14.648 3.402 1.00 0.00 O ATOM 827 CB VAL A 57 9.382 11.922 5.020 1.00 0.00 C ATOM 828 CG1 VAL A 57 10.050 11.557 3.695 1.00 0.00 C ATOM 829 CG2 VAL A 57 10.453 12.273 6.060 1.00 0.00 C ATOM 0 H VAL A 57 7.968 13.080 2.756 1.00 0.00 H new ATOM 0 HA VAL A 57 7.860 13.283 5.695 1.00 0.00 H new ATOM 0 HB VAL A 57 8.800 11.075 5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.711 10.703 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.286 11.301 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.630 12.406 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.107 11.415 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.041 13.119 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.973 12.535 7.003 1.00 0.00 H new ATOM 839 N GLY A 58 9.525 15.147 5.591 1.00 0.00 N ATOM 840 CA GLY A 58 10.293 16.379 5.463 1.00 0.00 C ATOM 841 C GLY A 58 9.383 17.543 5.095 1.00 0.00 C ATOM 842 O GLY A 58 9.783 18.450 4.365 1.00 0.00 O ATOM 0 H GLY A 58 9.208 14.940 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.805 16.593 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.062 16.257 4.700 1.00 0.00 H new ATOM 846 N TYR A 59 8.150 17.510 5.603 1.00 0.00 N ATOM 847 CA TYR A 59 7.179 18.567 5.323 1.00 0.00 C ATOM 848 C TYR A 59 6.438 18.956 6.596 1.00 0.00 C ATOM 849 O TYR A 59 6.468 18.230 7.591 1.00 0.00 O ATOM 850 CB TYR A 59 6.181 18.096 4.255 1.00 0.00 C ATOM 851 CG TYR A 59 5.196 17.109 4.844 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.628 15.842 5.248 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.848 17.461 4.973 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.715 14.928 5.782 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.930 16.550 5.507 1.00 0.00 C ATOM 856 CZ TYR A 59 3.365 15.282 5.911 1.00 0.00 C ATOM 857 OH TYR A 59 2.466 14.381 6.443 1.00 0.00 O ATOM 0 H TYR A 59 7.802 16.766 6.208 1.00 0.00 H new ATOM 0 HA TYR A 59 7.712 19.441 4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.645 18.953 3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.718 17.632 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.668 15.569 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.515 18.439 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.050 13.950 6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.890 16.824 5.607 1.00 0.00 H new ATOM 0 HH TYR A 59 2.926 13.799 7.084 1.00 0.00 H new ATOM 867 N ASP A 60 5.778 20.102 6.558 1.00 0.00 N ATOM 868 CA ASP A 60 5.036 20.578 7.721 1.00 0.00 C ATOM 869 C ASP A 60 3.800 19.719 7.940 1.00 0.00 C ATOM 870 O ASP A 60 2.754 19.954 7.344 1.00 0.00 O ATOM 871 CB ASP A 60 4.618 22.032 7.517 1.00 0.00 C ATOM 872 CG ASP A 60 5.855 22.912 7.379 1.00 0.00 C ATOM 873 OD1 ASP A 60 6.889 22.532 7.900 1.00 0.00 O ATOM 874 OD2 ASP A 60 5.748 23.955 6.755 1.00 0.00 O ATOM 0 H ASP A 60 5.739 20.717 5.745 1.00 0.00 H new ATOM 0 HA ASP A 60 5.680 20.509 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.997 22.120 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.014 22.368 8.360 1.00 0.00 H new ATOM 879 N LYS A 61 3.934 18.719 8.799 1.00 0.00 N ATOM 880 CA LYS A 61 2.830 17.814 9.093 1.00 0.00 C ATOM 881 C LYS A 61 1.670 18.551 9.761 1.00 0.00 C ATOM 882 O LYS A 61 0.507 18.242 9.513 1.00 0.00 O ATOM 883 CB LYS A 61 3.304 16.694 10.016 1.00 0.00 C ATOM 884 CG LYS A 61 4.355 15.842 9.303 1.00 0.00 C ATOM 885 CD LYS A 61 4.839 14.736 10.242 1.00 0.00 C ATOM 886 CE LYS A 61 5.892 13.886 9.528 1.00 0.00 C ATOM 887 NZ LYS A 61 6.389 12.828 10.454 1.00 0.00 N ATOM 0 H LYS A 61 4.795 18.513 9.305 1.00 0.00 H new ATOM 0 HA LYS A 61 2.482 17.398 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.724 17.116 10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.459 16.072 10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.932 15.406 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.195 16.465 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.261 15.172 11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.000 14.112 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.463 13.431 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.720 14.514 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.105 12.250 9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.813 13.272 11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.596 12.222 10.747 1.00 0.00 H new ATOM 901 N ASP A 62 1.990 19.503 10.629 1.00 0.00 N ATOM 902 CA ASP A 62 0.963 20.253 11.347 1.00 0.00 C ATOM 903 C ASP A 62 0.166 21.186 10.428 1.00 0.00 C ATOM 904 O ASP A 62 -1.053 21.300 10.558 1.00 0.00 O ATOM 905 CB ASP A 62 1.620 21.080 12.449 1.00 0.00 C ATOM 906 CG ASP A 62 2.146 20.160 13.546 1.00 0.00 C ATOM 907 OD1 ASP A 62 1.838 18.981 13.501 1.00 0.00 O ATOM 908 OD2 ASP A 62 2.854 20.648 14.411 1.00 0.00 O ATOM 0 H ASP A 62 2.947 19.774 10.853 1.00 0.00 H new ATOM 0 HA ASP A 62 0.265 19.529 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.437 21.670 12.034 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.899 21.783 12.867 1.00 0.00 H new ATOM 913 N ASN A 63 0.860 21.871 9.523 1.00 0.00 N ATOM 914 CA ASN A 63 0.200 22.818 8.617 1.00 0.00 C ATOM 915 C ASN A 63 -0.355 22.120 7.378 1.00 0.00 C ATOM 916 O ASN A 63 -1.210 22.667 6.682 1.00 0.00 O ATOM 917 CB ASN A 63 1.194 23.893 8.181 1.00 0.00 C ATOM 918 CG ASN A 63 1.573 24.771 9.369 1.00 0.00 C ATOM 919 OD1 ASN A 63 0.840 24.835 10.355 1.00 0.00 O ATOM 920 ND2 ASN A 63 2.687 25.454 9.334 1.00 0.00 N ATOM 0 H ASN A 63 1.869 21.793 9.395 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.632 23.268 9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.087 23.426 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.757 24.505 7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.950 26.042 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.293 25.399 8.515 1.00 0.00 H new ATOM 927 N CYS A 64 0.129 20.910 7.109 1.00 0.00 N ATOM 928 CA CYS A 64 -0.331 20.138 5.951 1.00 0.00 C ATOM 929 C CYS A 64 -0.801 18.755 6.382 1.00 0.00 C ATOM 930 O CYS A 64 -0.255 18.162 7.310 1.00 0.00 O ATOM 931 CB CYS A 64 0.797 19.978 4.936 1.00 0.00 C ATOM 932 SG CYS A 64 1.344 21.597 4.340 1.00 0.00 S ATOM 0 H CYS A 64 0.838 20.441 7.674 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.160 20.680 5.497 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.634 19.450 5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.457 19.371 4.097 1.00 0.00 H new ATOM 937 N GLN A 65 -1.810 18.241 5.684 1.00 0.00 N ATOM 938 CA GLN A 65 -2.357 16.915 5.974 1.00 0.00 C ATOM 939 C GLN A 65 -2.219 16.018 4.752 1.00 0.00 C ATOM 940 O GLN A 65 -2.378 16.465 3.617 1.00 0.00 O ATOM 941 CB GLN A 65 -3.828 17.032 6.364 1.00 0.00 C ATOM 942 CG GLN A 65 -4.527 17.997 5.408 1.00 0.00 C ATOM 943 CD GLN A 65 -6.007 18.090 5.757 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.413 17.688 6.847 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.843 18.602 4.895 1.00 0.00 N ATOM 0 H GLN A 65 -2.268 18.723 4.911 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.801 16.477 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.306 16.053 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.917 17.389 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.067 18.983 5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.407 17.655 4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.505 18.935 3.992 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.835 18.669 5.124 1.00 0.00 H new ATOM 954 N ARG A 66 -1.907 14.754 4.995 1.00 0.00 N ATOM 955 CA ARG A 66 -1.724 13.795 3.913 1.00 0.00 C ATOM 956 C ARG A 66 -3.068 13.264 3.421 1.00 0.00 C ATOM 957 O ARG A 66 -3.919 12.872 4.220 1.00 0.00 O ATOM 958 CB ARG A 66 -0.856 12.632 4.411 1.00 0.00 C ATOM 959 CG ARG A 66 0.257 13.156 5.366 1.00 0.00 C ATOM 960 CD ARG A 66 -0.111 12.858 6.822 1.00 0.00 C ATOM 961 NE ARG A 66 -0.090 11.421 7.050 1.00 0.00 N ATOM 962 CZ ARG A 66 -0.654 10.891 8.126 1.00 0.00 C ATOM 963 NH1 ARG A 66 -1.254 11.660 8.994 1.00 0.00 N ATOM 964 NH2 ARG A 66 -0.620 9.602 8.310 1.00 0.00 N ATOM 0 H ARG A 66 -1.775 14.368 5.930 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.231 14.296 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.477 11.903 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.404 12.118 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.209 12.685 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.388 14.229 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.591 13.352 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.100 13.257 7.046 1.00 0.00 H new ATOM 0 HE ARG A 66 0.366 10.812 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.289 12.668 8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.688 11.252 9.822 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.160 9.001 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.054 9.193 9.138 1.00 0.00 H new ATOM 978 N ILE A 67 -3.258 13.265 2.099 1.00 0.00 N ATOM 979 CA ILE A 67 -4.515 12.797 1.502 1.00 0.00 C ATOM 980 C ILE A 67 -4.287 11.538 0.669 1.00 0.00 C ATOM 981 O ILE A 67 -3.373 11.479 -0.155 1.00 0.00 O ATOM 982 CB ILE A 67 -5.089 13.903 0.619 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.130 15.214 1.415 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.504 13.529 0.177 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.930 15.043 2.715 1.00 0.00 C ATOM 0 H ILE A 67 -2.563 13.582 1.424 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.216 12.554 2.300 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.460 14.028 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.114 15.534 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.580 15.999 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.910 14.321 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.475 12.596 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.138 13.403 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.944 15.987 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.952 14.746 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.463 14.275 3.331 1.00 0.00 H new ATOM 997 N PHE A 68 -5.118 10.523 0.907 1.00 0.00 N ATOM 998 CA PHE A 68 -5.000 9.247 0.199 1.00 0.00 C ATOM 999 C PHE A 68 -5.846 9.212 -1.079 1.00 0.00 C ATOM 1000 O PHE A 68 -7.071 9.324 -1.029 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.443 8.113 1.128 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.338 6.794 0.402 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.080 6.306 0.028 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.492 6.058 0.097 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -3.975 5.085 -0.645 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.386 4.837 -0.577 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.127 4.350 -0.949 1.00 0.00 C ATOM 0 H PHE A 68 -5.880 10.559 1.584 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.957 9.124 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.820 8.098 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.469 8.278 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.190 6.873 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.463 6.434 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.004 4.708 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.275 4.270 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.045 3.408 -1.470 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.171 9.026 -2.222 1.00 0.00 N ATOM 1018 CA LYS A 69 -5.847 8.945 -3.529 1.00 0.00 C ATOM 1019 C LYS A 69 -5.647 7.542 -4.125 1.00 0.00 C ATOM 1020 O LYS A 69 -4.514 7.083 -4.283 1.00 0.00 O ATOM 1021 CB LYS A 69 -5.257 10.000 -4.501 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.127 11.265 -4.558 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.006 12.039 -3.248 1.00 0.00 C ATOM 1024 CE LYS A 69 -6.711 13.391 -3.393 1.00 0.00 C ATOM 1025 NZ LYS A 69 -8.185 13.180 -3.437 1.00 0.00 N ATOM 0 H LYS A 69 -4.157 8.929 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.910 9.140 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.249 10.265 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.174 9.570 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.815 11.894 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.168 10.993 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.452 11.469 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.956 12.188 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.451 14.040 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.377 13.892 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.668 14.101 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.438 12.676 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.480 12.615 -2.615 1.00 0.00 H new ATOM 1039 N LYS A 70 -6.748 6.876 -4.464 1.00 0.00 N ATOM 1040 CA LYS A 70 -6.681 5.536 -5.049 1.00 0.00 C ATOM 1041 C LYS A 70 -6.410 5.582 -6.549 1.00 0.00 C ATOM 1042 O LYS A 70 -5.610 4.808 -7.073 1.00 0.00 O ATOM 1043 CB LYS A 70 -8.006 4.807 -4.822 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.145 4.455 -3.348 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.537 3.873 -3.083 1.00 0.00 C ATOM 1046 CE LYS A 70 -9.683 2.512 -3.772 1.00 0.00 C ATOM 1047 NZ LYS A 70 -10.816 1.767 -3.150 1.00 0.00 N ATOM 0 H LYS A 70 -7.694 7.239 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.859 5.011 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.838 5.437 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.044 3.902 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.379 3.734 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.990 5.344 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.695 3.764 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.301 4.558 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.863 2.648 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.760 1.941 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.459 0.892 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.261 2.359 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.518 1.531 -3.880 1.00 0.00 H new ATOM 1061 N GLU A 71 -7.131 6.456 -7.235 1.00 0.00 N ATOM 1062 CA GLU A 71 -7.017 6.560 -8.682 1.00 0.00 C ATOM 1063 C GLU A 71 -5.573 6.719 -9.127 1.00 0.00 C ATOM 1064 O GLU A 71 -5.246 6.465 -10.286 1.00 0.00 O ATOM 1065 CB GLU A 71 -7.826 7.755 -9.182 1.00 0.00 C ATOM 1066 CG GLU A 71 -9.311 7.504 -8.925 1.00 0.00 C ATOM 1067 CD GLU A 71 -10.130 8.710 -9.371 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -9.532 9.672 -9.825 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -11.342 8.652 -9.254 1.00 0.00 O ATOM 0 H GLU A 71 -7.799 7.102 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.406 5.634 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.506 8.664 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.650 7.908 -10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.636 6.614 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.478 7.313 -7.865 1.00 0.00 H new ATOM 1076 N ASP A 72 -4.712 7.143 -8.210 1.00 0.00 N ATOM 1077 CA ASP A 72 -3.297 7.338 -8.528 1.00 0.00 C ATOM 1078 C ASP A 72 -2.410 6.648 -7.503 1.00 0.00 C ATOM 1079 O ASP A 72 -1.189 6.805 -7.532 1.00 0.00 O ATOM 1080 CB ASP A 72 -2.978 8.831 -8.546 1.00 0.00 C ATOM 1081 CG ASP A 72 -3.617 9.483 -9.767 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -4.060 8.754 -10.638 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -3.654 10.701 -9.812 1.00 0.00 O ATOM 0 H ASP A 72 -4.963 7.358 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.102 6.902 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.349 9.302 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.899 8.981 -8.566 1.00 0.00 H new ATOM 1088 N CYS A 73 -3.025 5.882 -6.602 1.00 0.00 N ATOM 1089 CA CYS A 73 -2.280 5.165 -5.565 1.00 0.00 C ATOM 1090 C CYS A 73 -1.068 5.970 -5.095 1.00 0.00 C ATOM 1091 O CYS A 73 0.075 5.579 -5.326 1.00 0.00 O ATOM 1092 CB CYS A 73 -1.827 3.799 -6.090 1.00 0.00 C ATOM 1093 SG CYS A 73 -3.273 2.726 -6.292 1.00 0.00 S ATOM 0 H CYS A 73 -4.035 5.742 -6.568 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.944 5.022 -4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.310 3.916 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.118 3.347 -5.396 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.332 7.098 -4.440 1.00 0.00 N ATOM 1099 CA LYS A 74 -0.258 7.952 -3.946 1.00 0.00 C ATOM 1100 C LYS A 74 -0.742 8.831 -2.801 1.00 0.00 C ATOM 1101 O LYS A 74 -1.942 9.034 -2.618 1.00 0.00 O ATOM 1102 CB LYS A 74 0.280 8.834 -5.084 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.770 9.868 -5.521 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.208 10.679 -6.696 1.00 0.00 C ATOM 1105 CE LYS A 74 -1.226 11.732 -7.144 1.00 0.00 C ATOM 1106 NZ LYS A 74 -0.848 12.239 -8.495 1.00 0.00 N ATOM 0 H LYS A 74 -2.272 7.439 -4.241 1.00 0.00 H new ATOM 0 HA LYS A 74 0.541 7.310 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.185 9.345 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.557 8.210 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.693 9.368 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.017 10.529 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.723 11.164 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.028 10.014 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.226 11.299 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.255 12.554 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.537 12.954 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.099 12.666 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.842 11.450 -9.173 1.00 0.00 H new ATOM 1120 N TYR A 75 0.214 9.375 -2.053 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.087 10.271 -0.937 1.00 0.00 C ATOM 1122 C TYR A 75 0.360 11.680 -1.300 1.00 0.00 C ATOM 1123 O TYR A 75 1.497 11.894 -1.719 1.00 0.00 O ATOM 1124 CB TYR A 75 0.648 9.809 0.340 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.252 8.928 1.180 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.354 9.491 1.833 1.00 0.00 C ATOM 1127 CD2 TYR A 75 0.017 7.562 1.313 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.188 8.691 2.619 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -0.818 6.760 2.100 1.00 0.00 C ATOM 1130 CZ TYR A 75 -1.921 7.324 2.753 1.00 0.00 C ATOM 1131 OH TYR A 75 -2.745 6.531 3.523 1.00 0.00 O ATOM 0 H TYR A 75 1.210 9.210 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.160 10.256 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.552 9.263 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.962 10.677 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.561 10.546 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.867 7.127 0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.038 9.128 3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.611 5.705 2.204 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.418 5.607 3.508 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.539 12.639 -1.124 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.235 14.036 -1.418 1.00 0.00 C ATOM 1143 C ILE A 76 -0.494 14.869 -0.179 1.00 0.00 C ATOM 1144 O ILE A 76 -1.427 14.599 0.577 1.00 0.00 O ATOM 1145 CB ILE A 76 -1.099 14.526 -2.585 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.579 14.476 -2.193 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.870 13.626 -3.801 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.434 14.905 -3.388 1.00 0.00 C ATOM 0 H ILE A 76 -1.485 12.477 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 76 0.812 14.133 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.823 15.552 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.850 13.468 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.764 15.134 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.484 13.974 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.181 13.661 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.144 12.601 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.488 14.870 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.168 15.921 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.255 14.229 -4.224 1.00 0.00 H new ATOM 1160 N VAL A 77 0.337 15.877 0.031 1.00 0.00 N ATOM 1161 CA VAL A 77 0.202 16.751 1.191 1.00 0.00 C ATOM 1162 C VAL A 77 -0.251 18.132 0.751 1.00 0.00 C ATOM 1163 O VAL A 77 0.293 18.707 -0.191 1.00 0.00 O ATOM 1164 CB VAL A 77 1.547 16.857 1.920 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.781 15.618 2.782 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.672 16.975 0.896 1.00 0.00 C ATOM 0 H VAL A 77 1.114 16.113 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.542 16.330 1.867 1.00 0.00 H new ATOM 0 HB VAL A 77 1.532 17.739 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.739 15.707 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.983 15.531 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.788 14.731 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.628 17.050 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.675 16.093 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.518 17.866 0.287 1.00 0.00 H new ATOM 1176 N VAL A 78 -1.255 18.657 1.443 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.793 19.983 1.127 1.00 0.00 C ATOM 1178 C VAL A 78 -2.031 20.774 2.408 1.00 0.00 C ATOM 1179 O VAL A 78 -2.264 20.194 3.467 1.00 0.00 O ATOM 1180 CB VAL A 78 -3.113 19.844 0.345 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -4.288 19.578 1.295 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.372 21.118 -0.445 1.00 0.00 C ATOM 0 H VAL A 78 -1.715 18.190 2.225 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.069 20.517 0.512 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.024 18.998 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.208 19.484 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.109 18.655 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.383 20.406 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.306 21.020 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.443 21.963 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.552 21.286 -1.144 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.994 22.098 2.306 1.00 0.00 N ATOM 1193 CA GLU A 79 -2.227 22.941 3.465 1.00 0.00 C ATOM 1194 C GLU A 79 -3.680 22.822 3.908 1.00 0.00 C ATOM 1195 O GLU A 79 -4.568 22.592 3.086 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.904 24.395 3.121 1.00 0.00 C ATOM 1197 CG GLU A 79 -2.043 25.260 4.372 1.00 0.00 C ATOM 1198 CD GLU A 79 -1.634 26.694 4.060 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -1.448 26.996 2.891 1.00 0.00 O ATOM 1200 OE2 GLU A 79 -1.506 27.469 4.992 1.00 0.00 O ATOM 0 H GLU A 79 -1.807 22.604 1.440 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.580 22.616 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.891 24.469 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.577 24.753 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.073 25.236 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.419 24.861 5.172 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.925 22.999 5.200 1.00 0.00 N ATOM 1208 CA LYS A 80 -5.281 22.930 5.729 1.00 0.00 C ATOM 1209 C LYS A 80 -6.011 24.249 5.480 1.00 0.00 C ATOM 1210 O LYS A 80 -7.191 24.266 5.129 1.00 0.00 O ATOM 1211 CB LYS A 80 -5.204 22.644 7.222 1.00 0.00 C ATOM 1212 CG LYS A 80 -4.661 21.229 7.427 1.00 0.00 C ATOM 1213 CD LYS A 80 -4.362 21.016 8.907 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.921 19.569 9.146 1.00 0.00 C ATOM 1215 NZ LYS A 80 -3.511 19.399 10.570 1.00 0.00 N ATOM 0 H LYS A 80 -3.206 23.191 5.898 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.835 22.135 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.557 23.371 7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.191 22.739 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.388 20.494 7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.756 21.085 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.580 21.702 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.248 21.238 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.736 18.886 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.091 19.317 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.293 18.398 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.668 19.977 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.286 19.703 11.193 1.00 0.00 H new ATOM 1229 N LYS A 81 -5.289 25.353 5.667 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.858 26.684 5.467 1.00 0.00 C ATOM 1231 C LYS A 81 -6.278 26.886 4.015 1.00 0.00 C ATOM 1232 O LYS A 81 -7.322 27.480 3.742 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.832 27.759 5.841 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.600 27.750 7.352 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.593 28.844 7.725 1.00 0.00 C ATOM 1236 CE LYS A 81 -3.392 28.860 9.242 1.00 0.00 C ATOM 1237 NZ LYS A 81 -2.416 29.927 9.606 1.00 0.00 N ATOM 0 H LYS A 81 -4.311 25.352 5.956 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.736 26.770 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.893 27.576 5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.187 28.740 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.542 27.915 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.227 26.776 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.642 28.663 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.953 29.815 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.344 29.037 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.029 27.890 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.281 29.937 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.506 29.739 9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.780 30.851 9.296 1.00 0.00 H new ATOM 1251 N ASP A 82 -5.458 26.396 3.084 1.00 0.00 N ATOM 1252 CA ASP A 82 -5.749 26.540 1.657 1.00 0.00 C ATOM 1253 C ASP A 82 -5.445 25.229 0.908 1.00 0.00 C ATOM 1254 O ASP A 82 -4.276 24.897 0.702 1.00 0.00 O ATOM 1255 CB ASP A 82 -4.894 27.666 1.075 1.00 0.00 C ATOM 1256 CG ASP A 82 -5.120 28.951 1.866 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -6.192 29.519 1.742 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -4.217 29.349 2.582 1.00 0.00 O ATOM 0 H ASP A 82 -4.592 25.899 3.291 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.806 26.776 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.840 27.389 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.149 27.824 0.027 1.00 0.00 H new ATOM 1263 N PRO A 83 -6.449 24.470 0.508 1.00 0.00 N ATOM 1264 CA PRO A 83 -6.235 23.180 -0.212 1.00 0.00 C ATOM 1265 C PRO A 83 -5.836 23.390 -1.679 1.00 0.00 C ATOM 1266 O PRO A 83 -5.393 22.463 -2.353 1.00 0.00 O ATOM 1267 CB PRO A 83 -7.589 22.465 -0.090 1.00 0.00 C ATOM 1268 CG PRO A 83 -8.603 23.557 0.043 1.00 0.00 C ATOM 1269 CD PRO A 83 -7.886 24.754 0.687 1.00 0.00 C ATOM 0 HA PRO A 83 -5.412 22.604 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.788 21.848 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.608 21.804 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.009 23.828 -0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -9.442 23.232 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.168 25.690 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.143 24.849 1.742 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.999 24.613 -2.172 1.00 0.00 N ATOM 1278 CA LYS A 84 -5.646 24.913 -3.557 1.00 0.00 C ATOM 1279 C LYS A 84 -4.141 24.776 -3.767 1.00 0.00 C ATOM 1280 O LYS A 84 -3.687 24.251 -4.785 1.00 0.00 O ATOM 1281 CB LYS A 84 -6.084 26.333 -3.921 1.00 0.00 C ATOM 1282 CG LYS A 84 -7.614 26.416 -3.930 1.00 0.00 C ATOM 1283 CD LYS A 84 -8.045 27.836 -4.299 1.00 0.00 C ATOM 1284 CE LYS A 84 -9.573 27.926 -4.308 1.00 0.00 C ATOM 1285 NZ LYS A 84 -9.988 29.310 -4.674 1.00 0.00 N ATOM 0 H LYS A 84 -6.368 25.403 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.162 24.201 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.676 27.045 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.690 26.606 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.023 25.703 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.009 26.147 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.633 28.549 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.650 28.103 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.986 27.211 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.969 27.664 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.026 29.371 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.606 29.982 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.622 29.544 -5.619 1.00 0.00 H new ATOM 1299 N LYS A 85 -3.372 25.263 -2.796 1.00 0.00 N ATOM 1300 CA LYS A 85 -1.912 25.208 -2.868 1.00 0.00 C ATOM 1301 C LYS A 85 -1.376 23.903 -2.282 1.00 0.00 C ATOM 1302 O LYS A 85 -1.866 23.424 -1.261 1.00 0.00 O ATOM 1303 CB LYS A 85 -1.321 26.376 -2.097 1.00 0.00 C ATOM 1304 CG LYS A 85 -1.668 27.679 -2.820 1.00 0.00 C ATOM 1305 CD LYS A 85 -1.190 28.875 -1.996 1.00 0.00 C ATOM 1306 CE LYS A 85 0.325 29.062 -2.154 1.00 0.00 C ATOM 1307 NZ LYS A 85 0.735 30.359 -1.544 1.00 0.00 N ATOM 0 H LYS A 85 -3.735 25.701 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.624 25.261 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.714 26.393 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.239 26.266 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.200 27.694 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.745 27.742 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.710 29.777 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.436 28.723 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.855 28.239 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.596 29.043 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.762 30.484 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.239 31.139 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.491 30.360 -0.533 1.00 0.00 H new ATOM 1321 N THR A 86 -0.358 23.339 -2.933 1.00 0.00 N ATOM 1322 CA THR A 86 0.247 22.092 -2.465 1.00 0.00 C ATOM 1323 C THR A 86 1.312 22.370 -1.408 1.00 0.00 C ATOM 1324 O THR A 86 1.760 23.505 -1.249 1.00 0.00 O ATOM 1325 CB THR A 86 0.874 21.349 -3.646 1.00 0.00 C ATOM 1326 OG1 THR A 86 1.653 22.254 -4.414 1.00 0.00 O ATOM 1327 CG2 THR A 86 -0.231 20.753 -4.521 1.00 0.00 C ATOM 0 H THR A 86 0.062 23.722 -3.780 1.00 0.00 H new ATOM 0 HA THR A 86 -0.532 21.476 -2.017 1.00 0.00 H new ATOM 0 HB THR A 86 1.512 20.547 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.056 21.778 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.217 20.224 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.827 20.057 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.871 21.553 -4.894 1.00 0.00 H new ATOM 1335 N CYS A 87 1.718 21.320 -0.689 1.00 0.00 N ATOM 1336 CA CYS A 87 2.740 21.446 0.356 1.00 0.00 C ATOM 1337 C CYS A 87 4.074 20.874 -0.136 1.00 0.00 C ATOM 1338 O CYS A 87 4.100 19.862 -0.837 1.00 0.00 O ATOM 1339 CB CYS A 87 2.288 20.689 1.605 1.00 0.00 C ATOM 1340 SG CYS A 87 0.891 21.555 2.370 1.00 0.00 S ATOM 0 H CYS A 87 1.356 20.374 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 87 2.875 22.501 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.998 19.672 1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.113 20.611 2.314 1.00 0.00 H new ATOM 1345 N SER A 88 5.178 21.529 0.226 1.00 0.00 N ATOM 1346 CA SER A 88 6.502 21.070 -0.200 1.00 0.00 C ATOM 1347 C SER A 88 6.956 19.865 0.621 1.00 0.00 C ATOM 1348 O SER A 88 6.558 19.701 1.774 1.00 0.00 O ATOM 1349 CB SER A 88 7.525 22.199 -0.049 1.00 0.00 C ATOM 1350 OG SER A 88 8.007 22.218 1.289 1.00 0.00 O ATOM 0 H SER A 88 5.184 22.368 0.806 1.00 0.00 H new ATOM 0 HA SER A 88 6.433 20.774 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.352 22.052 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.067 23.157 -0.297 1.00 0.00 H new ATOM 0 HG SER A 88 8.664 22.938 1.390 1.00 0.00 H new ATOM 1356 N VAL A 89 7.794 19.024 0.011 1.00 0.00 N ATOM 1357 CA VAL A 89 8.312 17.825 0.681 1.00 0.00 C ATOM 1358 C VAL A 89 9.792 17.631 0.369 1.00 0.00 C ATOM 1359 O VAL A 89 10.212 17.753 -0.782 1.00 0.00 O ATOM 1360 CB VAL A 89 7.510 16.600 0.227 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.724 15.438 1.201 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.023 16.967 0.184 1.00 0.00 C ATOM 0 H VAL A 89 8.129 19.149 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 89 8.206 17.948 1.759 1.00 0.00 H new ATOM 0 HB VAL A 89 7.847 16.294 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.149 14.574 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.783 15.180 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.393 15.732 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.444 16.102 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.695 17.274 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.871 17.787 -0.518 1.00 0.00 H new ATOM 1372 N SER A 90 10.579 17.319 1.395 1.00 0.00 N ATOM 1373 CA SER A 90 12.011 17.102 1.213 1.00 0.00 C ATOM 1374 C SER A 90 12.269 15.843 0.393 1.00 0.00 C ATOM 1375 O SER A 90 13.169 15.806 -0.445 1.00 0.00 O ATOM 1376 CB SER A 90 12.702 16.965 2.571 1.00 0.00 C ATOM 1377 OG SER A 90 14.093 17.210 2.416 1.00 0.00 O ATOM 0 H SER A 90 10.252 17.211 2.355 1.00 0.00 H new ATOM 0 HA SER A 90 12.415 17.963 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.274 17.671 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.540 15.966 2.976 1.00 0.00 H new ATOM 0 HG SER A 90 14.539 17.125 3.284 1.00 0.00 H new ATOM 1383 N GLU A 91 11.472 14.808 0.649 1.00 0.00 N ATOM 1384 CA GLU A 91 11.636 13.547 -0.064 1.00 0.00 C ATOM 1385 C GLU A 91 10.487 12.585 0.224 1.00 0.00 C ATOM 1386 O GLU A 91 9.662 12.826 1.105 1.00 0.00 O ATOM 1387 CB GLU A 91 12.969 12.906 0.343 1.00 0.00 C ATOM 1388 CG GLU A 91 12.893 12.409 1.791 1.00 0.00 C ATOM 1389 CD GLU A 91 14.269 11.934 2.248 1.00 0.00 C ATOM 1390 OE1 GLU A 91 15.009 11.436 1.416 1.00 0.00 O ATOM 1391 OE2 GLU A 91 14.560 12.073 3.424 1.00 0.00 O ATOM 0 H GLU A 91 10.717 14.817 1.335 1.00 0.00 H new ATOM 0 HA GLU A 91 11.632 13.755 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.201 12.075 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.776 13.631 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.540 13.209 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.173 11.594 1.868 1.00 0.00 H new ATOM 1398 N TRP A 92 10.453 11.483 -0.528 1.00 0.00 N ATOM 1399 CA TRP A 92 9.421 10.457 -0.365 1.00 0.00 C ATOM 1400 C TRP A 92 10.074 9.089 -0.158 1.00 0.00 C ATOM 1401 O TRP A 92 11.158 8.829 -0.682 1.00 0.00 O ATOM 1402 CB TRP A 92 8.537 10.413 -1.611 1.00 0.00 C ATOM 1403 CG TRP A 92 7.864 11.732 -1.798 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.446 12.838 -2.315 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.490 12.098 -1.490 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.517 13.862 -2.338 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.295 13.454 -1.841 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.405 11.390 -0.944 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 5.065 14.086 -1.655 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 4.168 12.022 -0.756 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.996 13.368 -1.112 1.00 0.00 C ATOM 0 H TRP A 92 11.133 11.278 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 92 8.812 10.702 0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 92 9.139 10.174 -2.487 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.791 9.624 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.469 12.910 -2.654 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.711 14.803 -2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.525 10.353 -0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.940 15.123 -1.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.342 11.469 -0.334 1.00 0.00 H new ATOM 0 HH2 TRP A 92 3.040 13.848 -0.967 1.00 0.00 H new ATOM 1422 N ILE A 93 9.414 8.218 0.608 1.00 0.00 N ATOM 1423 CA ILE A 93 9.947 6.874 0.876 1.00 0.00 C ATOM 1424 C ILE A 93 9.155 5.814 0.114 1.00 0.00 C ATOM 1425 O ILE A 93 7.938 5.701 0.267 1.00 0.00 O ATOM 1426 CB ILE A 93 9.872 6.568 2.372 1.00 0.00 C ATOM 1427 CG1 ILE A 93 10.595 7.665 3.154 1.00 0.00 C ATOM 1428 CG2 ILE A 93 10.539 5.217 2.651 1.00 0.00 C ATOM 1429 CD1 ILE A 93 10.353 7.465 4.651 1.00 0.00 C ATOM 0 H ILE A 93 8.517 8.413 1.052 1.00 0.00 H new ATOM 0 HA ILE A 93 10.985 6.852 0.544 1.00 0.00 H new ATOM 0 HB ILE A 93 8.828 6.529 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.663 7.636 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.235 8.646 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.486 4.998 3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.023 4.435 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.583 5.256 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.868 8.246 5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.284 7.516 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.735 6.490 4.954 1.00 0.00 H new ATOM 1441 N ILE A 94 9.857 5.038 -0.703 1.00 0.00 N ATOM 1442 CA ILE A 94 9.213 3.985 -1.483 1.00 0.00 C ATOM 1443 C ILE A 94 10.256 3.126 -2.191 1.00 0.00 C ATOM 1444 O ILE A 94 10.016 1.940 -2.338 1.00 0.00 O ATOM 1445 CB ILE A 94 8.261 4.607 -2.511 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.596 3.508 -3.364 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.049 5.551 -3.422 1.00 0.00 C ATOM 1448 CD1 ILE A 94 6.857 2.500 -2.467 1.00 0.00 C ATOM 1449 OXT ILE A 94 11.278 3.669 -2.580 1.00 0.00 O ATOM 0 H ILE A 94 10.864 5.116 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 94 8.644 3.349 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 94 7.484 5.160 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.896 3.959 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.352 2.991 -3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.376 5.996 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.504 6.339 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.829 4.991 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.394 1.732 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.566 2.035 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 94 6.087 3.018 -1.896 1.00 0.00 H new