USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=24 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.2!) USER MOD Single : A 19 MET CE :methyl -162:sc= -0.0989 (180deg=-0.621) USER MOD Single : A 22 LYS NZ :NH3+ 162:sc=-0.00882 (180deg=-0.18) USER MOD Single : A 24 ASN : amide:sc= -5.95! K(o=-5.9!,f=-0.93) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -22.4! C(o=-22!,f=-27!) USER MOD Single : A 29 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.6) USER MOD Single : A 30 SER OG : rot 180: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= -0.341 USER MOD Single : A 36 ASN : amide:sc= -2.08 X(o=-2.1,f=-1.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -69:sc= 0.92 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0154 USER MOD Single : A 51 THR OG1 : rot -26:sc= 0.947 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.51 K(o=-0.51,f=-4.4e-05) USER MOD Single : A 65 GLN : amide:sc=-0.00137 K(o=-0.0014,f=-0.83) USER MOD Single : A 69 LYS NZ :NH3+ -134:sc= -0.118 (180deg=-2.51!) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.0494 (180deg=-0.383) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0771 USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= 0.731 (180deg=0.478) USER MOD Single : A 81 LYS NZ :NH3+ 171:sc=-0.00391 (180deg=-0.168) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -160:sc= -0.0693 (180deg=-0.567) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N CYS A 2 6.674 -2.201 2.777 1.00 0.00 N ATOM 13 CA CYS A 2 6.333 -3.614 2.585 1.00 0.00 C ATOM 14 C CYS A 2 6.762 -4.451 3.792 1.00 0.00 C ATOM 15 O CYS A 2 7.776 -4.164 4.429 1.00 0.00 O ATOM 16 CB CYS A 2 7.024 -4.138 1.315 1.00 0.00 C ATOM 17 SG CYS A 2 6.096 -5.544 0.661 1.00 0.00 S ATOM 0 HA CYS A 2 5.251 -3.699 2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.082 -3.347 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.047 -4.438 1.542 1.00 0.00 H new ATOM 22 N TYR A 3 5.985 -5.493 4.092 1.00 0.00 N ATOM 23 CA TYR A 3 6.289 -6.380 5.218 1.00 0.00 C ATOM 24 C TYR A 3 5.866 -7.813 4.900 1.00 0.00 C ATOM 25 O TYR A 3 4.907 -8.036 4.160 1.00 0.00 O ATOM 26 CB TYR A 3 5.561 -5.896 6.476 1.00 0.00 C ATOM 27 CG TYR A 3 4.103 -5.660 6.160 1.00 0.00 C ATOM 28 CD1 TYR A 3 3.227 -6.747 6.048 1.00 0.00 C ATOM 29 CD2 TYR A 3 3.624 -4.356 5.977 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.875 -6.529 5.752 1.00 0.00 C ATOM 31 CE2 TYR A 3 2.273 -4.138 5.682 1.00 0.00 C ATOM 32 CZ TYR A 3 1.398 -5.225 5.569 1.00 0.00 C ATOM 33 OH TYR A 3 0.066 -5.010 5.280 1.00 0.00 O ATOM 0 H TYR A 3 5.143 -5.744 3.573 1.00 0.00 H new ATOM 0 HA TYR A 3 7.365 -6.361 5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.656 -6.636 7.270 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.018 -4.976 6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.594 -7.753 6.190 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.299 -3.517 6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.200 -7.367 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.906 -3.132 5.542 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.097 -4.048 5.185 1.00 0.00 H new ATOM 43 N PHE A 4 6.602 -8.780 5.443 1.00 0.00 N ATOM 44 CA PHE A 4 6.318 -10.193 5.195 1.00 0.00 C ATOM 45 C PHE A 4 5.241 -10.737 6.125 1.00 0.00 C ATOM 46 O PHE A 4 5.202 -10.412 7.310 1.00 0.00 O ATOM 47 CB PHE A 4 7.592 -11.009 5.406 1.00 0.00 C ATOM 48 CG PHE A 4 8.697 -10.472 4.529 1.00 0.00 C ATOM 49 CD1 PHE A 4 8.825 -10.924 3.212 1.00 0.00 C ATOM 50 CD2 PHE A 4 9.594 -9.526 5.038 1.00 0.00 C ATOM 51 CE1 PHE A 4 9.853 -10.430 2.401 1.00 0.00 C ATOM 52 CE2 PHE A 4 10.621 -9.030 4.227 1.00 0.00 C ATOM 53 CZ PHE A 4 10.752 -9.484 2.908 1.00 0.00 C ATOM 0 H PHE A 4 7.399 -8.612 6.057 1.00 0.00 H new ATOM 0 HA PHE A 4 5.959 -10.277 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.893 -10.966 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 4 7.406 -12.057 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.131 -11.654 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.494 -9.179 6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.953 -10.779 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.312 -8.298 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.546 -9.104 2.282 1.00 0.00 H new ATOM 63 N ILE A 5 4.380 -11.588 5.566 1.00 0.00 N ATOM 64 CA ILE A 5 3.299 -12.222 6.320 1.00 0.00 C ATOM 65 C ILE A 5 3.430 -13.749 6.184 1.00 0.00 C ATOM 66 O ILE A 5 3.706 -14.241 5.094 1.00 0.00 O ATOM 67 CB ILE A 5 1.945 -11.775 5.732 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.785 -10.249 5.848 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.770 -12.470 6.438 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.935 -9.783 7.301 1.00 0.00 C ATOM 0 H ILE A 5 4.412 -11.856 4.582 1.00 0.00 H new ATOM 0 HA ILE A 5 3.356 -11.935 7.370 1.00 0.00 H new ATOM 0 HB ILE A 5 1.934 -12.062 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.531 -9.754 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.807 -9.954 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.169 -12.133 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.860 -13.550 6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.785 -12.222 7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.817 -8.701 7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.172 -10.260 7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.923 -10.057 7.671 1.00 0.00 H new ATOM 82 N PRO A 6 3.225 -14.514 7.235 1.00 0.00 N ATOM 83 CA PRO A 6 3.315 -16.001 7.146 1.00 0.00 C ATOM 84 C PRO A 6 2.213 -16.581 6.265 1.00 0.00 C ATOM 85 O PRO A 6 1.198 -15.932 6.008 1.00 0.00 O ATOM 86 CB PRO A 6 3.185 -16.475 8.604 1.00 0.00 C ATOM 87 CG PRO A 6 2.489 -15.362 9.319 1.00 0.00 C ATOM 88 CD PRO A 6 2.898 -14.071 8.603 1.00 0.00 C ATOM 0 HA PRO A 6 4.246 -16.332 6.685 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.614 -17.401 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.163 -16.673 9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.408 -15.497 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.779 -15.333 10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.089 -13.340 8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.754 -13.600 9.086 1.00 0.00 H new ATOM 96 N ASN A 7 2.422 -17.809 5.813 1.00 0.00 N ATOM 97 CA ASN A 7 1.442 -18.475 4.973 1.00 0.00 C ATOM 98 C ASN A 7 0.179 -18.743 5.776 1.00 0.00 C ATOM 99 O ASN A 7 -0.873 -19.061 5.220 1.00 0.00 O ATOM 100 CB ASN A 7 2.016 -19.796 4.450 1.00 0.00 C ATOM 101 CG ASN A 7 0.956 -20.562 3.667 1.00 0.00 C ATOM 102 OD1 ASN A 7 -0.022 -21.039 4.244 1.00 0.00 O ATOM 103 ND2 ASN A 7 1.090 -20.714 2.377 1.00 0.00 N ATOM 0 H ASN A 7 3.257 -18.360 6.013 1.00 0.00 H new ATOM 0 HA ASN A 7 1.200 -17.833 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.877 -19.598 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.370 -20.402 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.385 -21.227 1.848 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.900 -20.319 1.898 1.00 0.00 H new ATOM 252 N CYS A 18 -2.920 -19.202 1.606 1.00 0.00 N ATOM 253 CA CYS A 18 -2.441 -18.191 0.652 1.00 0.00 C ATOM 254 C CYS A 18 -3.513 -17.879 -0.385 1.00 0.00 C ATOM 255 O CYS A 18 -3.242 -17.853 -1.586 1.00 0.00 O ATOM 256 CB CYS A 18 -1.170 -18.688 -0.048 1.00 0.00 C ATOM 257 SG CYS A 18 -0.593 -17.459 -1.240 1.00 0.00 S ATOM 0 HA CYS A 18 -2.214 -17.279 1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.392 -18.883 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.371 -19.631 -0.556 1.00 0.00 H new ATOM 262 N MET A 19 -4.731 -17.632 0.092 1.00 0.00 N ATOM 263 CA MET A 19 -5.855 -17.299 -0.787 1.00 0.00 C ATOM 264 C MET A 19 -6.264 -15.846 -0.562 1.00 0.00 C ATOM 265 O MET A 19 -6.381 -15.396 0.578 1.00 0.00 O ATOM 266 CB MET A 19 -7.044 -18.220 -0.508 1.00 0.00 C ATOM 267 CG MET A 19 -8.191 -17.863 -1.455 1.00 0.00 C ATOM 268 SD MET A 19 -9.465 -19.152 -1.383 1.00 0.00 S ATOM 269 CE MET A 19 -9.176 -19.888 -3.014 1.00 0.00 C ATOM 0 H MET A 19 -4.967 -17.656 1.084 1.00 0.00 H new ATOM 0 HA MET A 19 -5.545 -17.436 -1.823 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.753 -19.261 -0.647 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.366 -18.114 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.618 -16.900 -1.177 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.817 -17.764 -2.474 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.044 -20.480 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.014 -19.097 -3.746 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.296 -20.530 -2.973 1.00 0.00 H new ATOM 279 N ASP A 20 -6.466 -15.113 -1.651 1.00 0.00 N ATOM 280 CA ASP A 20 -6.842 -13.708 -1.550 1.00 0.00 C ATOM 281 C ASP A 20 -8.299 -13.563 -1.117 1.00 0.00 C ATOM 282 O ASP A 20 -9.057 -14.532 -1.094 1.00 0.00 O ATOM 283 CB ASP A 20 -6.627 -13.008 -2.893 1.00 0.00 C ATOM 284 CG ASP A 20 -6.838 -11.505 -2.739 1.00 0.00 C ATOM 285 OD1 ASP A 20 -6.808 -11.035 -1.613 1.00 0.00 O ATOM 286 OD2 ASP A 20 -7.024 -10.845 -3.748 1.00 0.00 O ATOM 0 H ASP A 20 -6.377 -15.464 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.210 -13.240 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.619 -13.206 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.319 -13.406 -3.635 1.00 0.00 H new ATOM 291 N LEU A 21 -8.671 -12.339 -0.763 1.00 0.00 N ATOM 292 CA LEU A 21 -10.030 -12.049 -0.314 1.00 0.00 C ATOM 293 C LEU A 21 -11.041 -12.292 -1.434 1.00 0.00 C ATOM 294 O LEU A 21 -12.192 -12.641 -1.174 1.00 0.00 O ATOM 295 CB LEU A 21 -10.113 -10.589 0.163 1.00 0.00 C ATOM 296 CG LEU A 21 -9.560 -10.476 1.588 1.00 0.00 C ATOM 297 CD1 LEU A 21 -8.083 -10.880 1.596 1.00 0.00 C ATOM 298 CD2 LEU A 21 -9.694 -9.031 2.073 1.00 0.00 C ATOM 0 H LEU A 21 -8.051 -11.529 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.273 -12.718 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.546 -9.945 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.147 -10.246 0.136 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.122 -11.136 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.689 -10.800 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.985 -11.909 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.522 -10.219 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.301 -8.949 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.132 -8.372 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.745 -8.741 2.067 1.00 0.00 H new ATOM 310 N LYS A 22 -10.604 -12.121 -2.678 1.00 0.00 N ATOM 311 CA LYS A 22 -11.483 -12.341 -3.825 1.00 0.00 C ATOM 312 C LYS A 22 -11.887 -13.812 -3.919 1.00 0.00 C ATOM 313 O LYS A 22 -13.024 -14.133 -4.266 1.00 0.00 O ATOM 314 CB LYS A 22 -10.780 -11.927 -5.120 1.00 0.00 C ATOM 315 CG LYS A 22 -10.441 -10.428 -5.094 1.00 0.00 C ATOM 316 CD LYS A 22 -11.719 -9.578 -5.189 1.00 0.00 C ATOM 317 CE LYS A 22 -11.358 -8.156 -5.625 1.00 0.00 C ATOM 318 NZ LYS A 22 -11.067 -8.142 -7.086 1.00 0.00 N ATOM 0 H LYS A 22 -9.655 -11.833 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.377 -11.733 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.868 -12.510 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.420 -12.146 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.906 -10.187 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.776 -10.186 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.412 -10.023 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.226 -9.556 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.180 -7.476 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.491 -7.803 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.122 -7.166 -7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.112 -8.518 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.763 -8.732 -7.584 1.00 0.00 H new ATOM 332 N GLY A 23 -10.937 -14.701 -3.625 1.00 0.00 N ATOM 333 CA GLY A 23 -11.180 -16.147 -3.693 1.00 0.00 C ATOM 334 C GLY A 23 -10.352 -16.760 -4.819 1.00 0.00 C ATOM 335 O GLY A 23 -10.605 -17.882 -5.259 1.00 0.00 O ATOM 0 H GLY A 23 -9.992 -14.448 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.920 -16.613 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.239 -16.339 -3.863 1.00 0.00 H new ATOM 339 N ASN A 24 -9.372 -15.992 -5.285 1.00 0.00 N ATOM 340 CA ASN A 24 -8.492 -16.418 -6.367 1.00 0.00 C ATOM 341 C ASN A 24 -7.119 -16.825 -5.833 1.00 0.00 C ATOM 342 O ASN A 24 -6.326 -15.979 -5.418 1.00 0.00 O ATOM 343 CB ASN A 24 -8.336 -15.275 -7.373 1.00 0.00 C ATOM 344 CG ASN A 24 -7.474 -15.733 -8.535 1.00 0.00 C ATOM 345 OD1 ASN A 24 -7.232 -14.977 -9.475 1.00 0.00 O ATOM 346 ND2 ASN A 24 -6.991 -16.940 -8.517 1.00 0.00 N ATOM 0 H ASN A 24 -9.166 -15.060 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.937 -17.285 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.315 -14.960 -7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.882 -14.410 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.406 -17.267 -9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.197 -17.560 -7.734 1.00 0.00 H new ATOM 353 N LYS A 25 -6.841 -18.125 -5.863 1.00 0.00 N ATOM 354 CA LYS A 25 -5.559 -18.640 -5.397 1.00 0.00 C ATOM 355 C LYS A 25 -4.444 -18.193 -6.333 1.00 0.00 C ATOM 356 O LYS A 25 -4.606 -18.192 -7.553 1.00 0.00 O ATOM 357 CB LYS A 25 -5.604 -20.167 -5.334 1.00 0.00 C ATOM 358 CG LYS A 25 -4.342 -20.693 -4.646 1.00 0.00 C ATOM 359 CD LYS A 25 -4.460 -22.208 -4.437 1.00 0.00 C ATOM 360 CE LYS A 25 -4.472 -22.927 -5.789 1.00 0.00 C ATOM 361 NZ LYS A 25 -4.142 -24.366 -5.589 1.00 0.00 N ATOM 0 H LYS A 25 -7.485 -18.839 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.362 -18.247 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.490 -20.492 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.680 -20.580 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.465 -20.467 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.204 -20.194 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.626 -22.566 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.373 -22.437 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.452 -22.829 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.750 -22.468 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.150 -24.855 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.198 -24.449 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.847 -24.800 -4.960 1.00 0.00 H new ATOM 375 N HIS A 26 -3.317 -17.796 -5.749 1.00 0.00 N ATOM 376 CA HIS A 26 -2.164 -17.323 -6.523 1.00 0.00 C ATOM 377 C HIS A 26 -0.963 -18.264 -6.321 1.00 0.00 C ATOM 378 O HIS A 26 -0.256 -18.155 -5.318 1.00 0.00 O ATOM 379 CB HIS A 26 -1.791 -15.885 -6.071 1.00 0.00 C ATOM 380 CG HIS A 26 -2.447 -15.571 -4.755 1.00 0.00 C ATOM 381 ND1 HIS A 26 -1.880 -15.916 -3.538 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.630 -14.949 -4.454 1.00 0.00 C ATOM 383 CE1 HIS A 26 -2.718 -15.500 -2.571 1.00 0.00 C ATOM 384 NE2 HIS A 26 -3.801 -14.905 -3.076 1.00 0.00 N ATOM 0 H HIS A 26 -3.173 -17.791 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.425 -17.314 -7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.709 -15.794 -5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.108 -15.165 -6.825 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.991 -16.397 -3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.325 -14.552 -5.179 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.536 -15.632 -1.515 1.00 0.00 H new ATOM 393 N PRO A 27 -0.708 -19.171 -7.240 1.00 0.00 N ATOM 394 CA PRO A 27 0.448 -20.113 -7.126 1.00 0.00 C ATOM 395 C PRO A 27 1.738 -19.379 -6.769 1.00 0.00 C ATOM 396 O PRO A 27 1.735 -18.164 -6.582 1.00 0.00 O ATOM 397 CB PRO A 27 0.532 -20.744 -8.522 1.00 0.00 C ATOM 398 CG PRO A 27 -0.867 -20.692 -9.043 1.00 0.00 C ATOM 399 CD PRO A 27 -1.478 -19.410 -8.477 1.00 0.00 C ATOM 0 HA PRO A 27 0.314 -20.850 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.216 -20.192 -9.166 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.899 -21.769 -8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.878 -20.682 -10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.434 -21.568 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.382 -18.579 -9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.541 -19.531 -8.270 1.00 0.00 H new ATOM 407 N ILE A 28 2.842 -20.110 -6.698 1.00 0.00 N ATOM 408 CA ILE A 28 4.122 -19.492 -6.381 1.00 0.00 C ATOM 409 C ILE A 28 4.570 -18.600 -7.533 1.00 0.00 C ATOM 410 O ILE A 28 4.395 -18.953 -8.697 1.00 0.00 O ATOM 411 CB ILE A 28 5.189 -20.558 -6.131 1.00 0.00 C ATOM 412 CG1 ILE A 28 4.683 -21.589 -5.107 1.00 0.00 C ATOM 413 CG2 ILE A 28 6.465 -19.893 -5.613 1.00 0.00 C ATOM 414 CD1 ILE A 28 4.323 -20.909 -3.776 1.00 0.00 C ATOM 0 H ILE A 28 2.878 -21.117 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 28 3.996 -18.894 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 28 5.403 -21.073 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.809 -22.104 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.449 -22.346 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.225 -20.654 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.830 -19.181 -6.353 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.250 -19.370 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.968 -21.659 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.206 -20.416 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.540 -20.170 -3.945 1.00 0.00 H new ATOM 426 N ASN A 29 5.141 -17.449 -7.186 1.00 0.00 N ATOM 427 CA ASN A 29 5.626 -16.481 -8.171 1.00 0.00 C ATOM 428 C ASN A 29 4.474 -15.697 -8.787 1.00 0.00 C ATOM 429 O ASN A 29 4.687 -14.853 -9.658 1.00 0.00 O ATOM 430 CB ASN A 29 6.422 -17.178 -9.283 1.00 0.00 C ATOM 431 CG ASN A 29 7.370 -18.207 -8.680 1.00 0.00 C ATOM 432 OD1 ASN A 29 8.247 -17.853 -7.892 1.00 0.00 O ATOM 433 ND2 ASN A 29 7.251 -19.466 -9.004 1.00 0.00 N ATOM 0 H ASN A 29 5.281 -17.160 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 29 6.282 -15.788 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.739 -17.665 -9.980 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.987 -16.441 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.885 -20.158 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.524 -19.758 -9.657 1.00 0.00 H new ATOM 440 N SER A 30 3.254 -15.959 -8.319 1.00 0.00 N ATOM 441 CA SER A 30 2.081 -15.245 -8.826 1.00 0.00 C ATOM 442 C SER A 30 1.786 -14.049 -7.933 1.00 0.00 C ATOM 443 O SER A 30 1.781 -14.169 -6.709 1.00 0.00 O ATOM 444 CB SER A 30 0.860 -16.170 -8.860 1.00 0.00 C ATOM 445 OG SER A 30 -0.256 -15.449 -9.369 1.00 0.00 O ATOM 0 H SER A 30 3.052 -16.652 -7.598 1.00 0.00 H new ATOM 0 HA SER A 30 2.292 -14.905 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.064 -17.039 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.642 -16.542 -7.859 1.00 0.00 H new ATOM 0 HG SER A 30 -1.040 -16.036 -9.395 1.00 0.00 H new ATOM 451 N GLU A 31 1.542 -12.891 -8.548 1.00 0.00 N ATOM 452 CA GLU A 31 1.247 -11.669 -7.795 1.00 0.00 C ATOM 453 C GLU A 31 -0.182 -11.222 -8.073 1.00 0.00 C ATOM 454 O GLU A 31 -0.681 -11.367 -9.190 1.00 0.00 O ATOM 455 CB GLU A 31 2.215 -10.557 -8.198 1.00 0.00 C ATOM 456 CG GLU A 31 3.643 -10.977 -7.853 1.00 0.00 C ATOM 457 CD GLU A 31 4.619 -9.877 -8.252 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.165 -8.861 -8.751 1.00 0.00 O ATOM 459 OE2 GLU A 31 5.808 -10.065 -8.052 1.00 0.00 O ATOM 0 H GLU A 31 1.542 -12.773 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 31 1.362 -11.876 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.131 -10.356 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.961 -9.633 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.724 -11.177 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.894 -11.903 -8.371 1.00 0.00 H new ATOM 466 N TRP A 32 -0.844 -10.690 -7.047 1.00 0.00 N ATOM 467 CA TRP A 32 -2.228 -10.238 -7.190 1.00 0.00 C ATOM 468 C TRP A 32 -2.470 -8.964 -6.391 1.00 0.00 C ATOM 469 O TRP A 32 -1.834 -8.729 -5.365 1.00 0.00 O ATOM 470 CB TRP A 32 -3.171 -11.331 -6.698 1.00 0.00 C ATOM 471 CG TRP A 32 -2.929 -11.588 -5.243 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.657 -11.055 -4.235 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.911 -12.427 -4.614 1.00 0.00 C ATOM 474 NE1 TRP A 32 -3.158 -11.517 -3.030 1.00 0.00 N ATOM 475 CE2 TRP A 32 -2.085 -12.369 -3.210 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.865 -13.227 -5.117 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.256 -13.082 -2.334 1.00 0.00 C ATOM 478 CZ3 TRP A 32 -0.030 -13.947 -4.239 1.00 0.00 C ATOM 479 CH2 TRP A 32 -0.230 -13.875 -2.852 1.00 0.00 C ATOM 0 H TRP A 32 -0.449 -10.562 -6.115 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.416 -10.027 -8.243 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.207 -11.030 -6.857 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.013 -12.245 -7.270 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.491 -10.379 -4.352 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.537 -11.260 -2.118 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.702 -13.289 -6.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.409 -13.019 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.768 -14.557 -4.636 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.410 -14.433 -2.185 1.00 0.00 H new ATOM 490 N GLN A 33 -3.403 -8.140 -6.870 1.00 0.00 N ATOM 491 CA GLN A 33 -3.731 -6.887 -6.196 1.00 0.00 C ATOM 492 C GLN A 33 -4.946 -7.078 -5.301 1.00 0.00 C ATOM 493 O GLN A 33 -5.897 -7.766 -5.671 1.00 0.00 O ATOM 494 CB GLN A 33 -4.009 -5.797 -7.235 1.00 0.00 C ATOM 495 CG GLN A 33 -4.002 -4.430 -6.554 1.00 0.00 C ATOM 496 CD GLN A 33 -4.106 -3.328 -7.600 1.00 0.00 C ATOM 497 OE1 GLN A 33 -5.133 -3.192 -8.266 1.00 0.00 O ATOM 498 NE2 GLN A 33 -3.083 -2.545 -7.799 1.00 0.00 N ATOM 0 H GLN A 33 -3.941 -8.318 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.886 -6.583 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.254 -5.828 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.973 -5.972 -7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.835 -4.359 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.087 -4.308 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.235 -2.663 -7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.130 -1.815 -8.510 1.00 0.00 H new ATOM 507 N THR A 34 -4.899 -6.490 -4.108 1.00 0.00 N ATOM 508 CA THR A 34 -5.999 -6.633 -3.148 1.00 0.00 C ATOM 509 C THR A 34 -6.331 -5.301 -2.488 1.00 0.00 C ATOM 510 O THR A 34 -5.563 -4.343 -2.577 1.00 0.00 O ATOM 511 CB THR A 34 -5.595 -7.631 -2.062 1.00 0.00 C ATOM 512 OG1 THR A 34 -6.654 -7.757 -1.126 1.00 0.00 O ATOM 513 CG2 THR A 34 -4.340 -7.119 -1.353 1.00 0.00 C ATOM 0 H THR A 34 -4.122 -5.915 -3.782 1.00 0.00 H new ATOM 0 HA THR A 34 -6.878 -6.986 -3.688 1.00 0.00 H new ATOM 0 HB THR A 34 -5.389 -8.604 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.400 -8.397 -0.429 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.046 -7.826 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.530 -7.016 -2.075 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.548 -6.149 -0.900 1.00 0.00 H new ATOM 521 N ASP A 35 -7.479 -5.256 -1.817 1.00 0.00 N ATOM 522 CA ASP A 35 -7.914 -4.044 -1.133 1.00 0.00 C ATOM 523 C ASP A 35 -7.927 -2.855 -2.088 1.00 0.00 C ATOM 524 O ASP A 35 -8.966 -2.497 -2.636 1.00 0.00 O ATOM 525 CB ASP A 35 -6.976 -3.747 0.042 1.00 0.00 C ATOM 526 CG ASP A 35 -7.216 -4.744 1.173 1.00 0.00 C ATOM 527 OD1 ASP A 35 -8.238 -5.408 1.146 1.00 0.00 O ATOM 528 OD2 ASP A 35 -6.373 -4.826 2.051 1.00 0.00 O ATOM 0 H ASP A 35 -8.122 -6.043 -1.733 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.927 -4.204 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.939 -3.803 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.142 -2.731 0.401 1.00 0.00 H new ATOM 533 N ASN A 36 -6.760 -2.256 -2.280 1.00 0.00 N ATOM 534 CA ASN A 36 -6.622 -1.107 -3.171 1.00 0.00 C ATOM 535 C ASN A 36 -5.213 -0.549 -3.049 1.00 0.00 C ATOM 536 O ASN A 36 -4.816 -0.103 -1.977 1.00 0.00 O ATOM 537 CB ASN A 36 -7.646 -0.023 -2.806 1.00 0.00 C ATOM 538 CG ASN A 36 -7.787 0.071 -1.293 1.00 0.00 C ATOM 539 OD1 ASN A 36 -6.822 -0.151 -0.560 1.00 0.00 O ATOM 540 ND2 ASN A 36 -8.942 0.390 -0.776 1.00 0.00 N ATOM 0 H ASN A 36 -5.892 -2.546 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.805 -1.424 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.330 0.939 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.611 -0.256 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.047 0.456 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.740 0.573 -1.384 1.00 0.00 H new ATOM 547 N CYS A 37 -4.463 -0.590 -4.146 1.00 0.00 N ATOM 548 CA CYS A 37 -3.088 -0.105 -4.150 1.00 0.00 C ATOM 549 C CYS A 37 -2.222 -0.948 -3.221 1.00 0.00 C ATOM 550 O CYS A 37 -1.403 -0.419 -2.479 1.00 0.00 O ATOM 551 CB CYS A 37 -3.024 1.371 -3.736 1.00 0.00 C ATOM 552 SG CYS A 37 -3.920 2.370 -4.948 1.00 0.00 S ATOM 0 H CYS A 37 -4.785 -0.954 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.704 -0.193 -5.166 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.460 1.502 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.986 1.699 -3.673 1.00 0.00 H new ATOM 557 N GLU A 38 -2.383 -2.273 -3.293 1.00 0.00 N ATOM 558 CA GLU A 38 -1.586 -3.193 -2.488 1.00 0.00 C ATOM 559 C GLU A 38 -1.435 -4.486 -3.278 1.00 0.00 C ATOM 560 O GLU A 38 -2.409 -4.976 -3.848 1.00 0.00 O ATOM 561 CB GLU A 38 -2.263 -3.486 -1.147 1.00 0.00 C ATOM 562 CG GLU A 38 -2.754 -2.185 -0.516 1.00 0.00 C ATOM 563 CD GLU A 38 -3.326 -2.451 0.873 1.00 0.00 C ATOM 564 OE1 GLU A 38 -3.322 -3.599 1.283 1.00 0.00 O ATOM 565 OE2 GLU A 38 -3.760 -1.501 1.504 1.00 0.00 O ATOM 0 H GLU A 38 -3.061 -2.730 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.615 -2.745 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.101 -4.168 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.562 -3.983 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.931 -1.473 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.516 -1.731 -1.149 1.00 0.00 H new ATOM 572 N THR A 39 -0.224 -5.037 -3.330 1.00 0.00 N ATOM 573 CA THR A 39 0.009 -6.279 -4.089 1.00 0.00 C ATOM 574 C THR A 39 0.817 -7.272 -3.271 1.00 0.00 C ATOM 575 O THR A 39 1.829 -6.918 -2.670 1.00 0.00 O ATOM 576 CB THR A 39 0.749 -5.959 -5.393 1.00 0.00 C ATOM 577 OG1 THR A 39 -0.057 -5.110 -6.196 1.00 0.00 O ATOM 578 CG2 THR A 39 1.045 -7.249 -6.158 1.00 0.00 C ATOM 0 H THR A 39 0.602 -4.657 -2.867 1.00 0.00 H new ATOM 0 HA THR A 39 -0.958 -6.728 -4.318 1.00 0.00 H new ATOM 0 HB THR A 39 1.689 -5.460 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.415 -4.903 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.571 -7.011 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.667 -7.901 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.109 -7.756 -6.393 1.00 0.00 H new ATOM 586 N CYS A 40 0.352 -8.526 -3.245 1.00 0.00 N ATOM 587 CA CYS A 40 1.029 -9.580 -2.487 1.00 0.00 C ATOM 588 C CYS A 40 1.573 -10.675 -3.401 1.00 0.00 C ATOM 589 O CYS A 40 1.114 -10.856 -4.530 1.00 0.00 O ATOM 590 CB CYS A 40 0.065 -10.182 -1.463 1.00 0.00 C ATOM 591 SG CYS A 40 -0.397 -8.931 -0.233 1.00 0.00 S ATOM 0 H CYS A 40 -0.486 -8.833 -3.738 1.00 0.00 H new ATOM 0 HA CYS A 40 1.877 -9.129 -1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.827 -10.555 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.532 -11.034 -0.969 1.00 0.00 H new ATOM 596 N THR A 41 2.569 -11.399 -2.886 1.00 0.00 N ATOM 597 CA THR A 41 3.211 -12.489 -3.634 1.00 0.00 C ATOM 598 C THR A 41 3.257 -13.765 -2.793 1.00 0.00 C ATOM 599 O THR A 41 3.675 -13.737 -1.636 1.00 0.00 O ATOM 600 CB THR A 41 4.642 -12.086 -4.000 1.00 0.00 C ATOM 601 OG1 THR A 41 4.619 -10.834 -4.670 1.00 0.00 O ATOM 602 CG2 THR A 41 5.254 -13.146 -4.920 1.00 0.00 C ATOM 0 H THR A 41 2.951 -11.252 -1.952 1.00 0.00 H new ATOM 0 HA THR A 41 2.630 -12.677 -4.537 1.00 0.00 H new ATOM 0 HB THR A 41 5.242 -12.006 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.534 -10.572 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.273 -12.858 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.268 -14.108 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.657 -13.228 -5.828 1.00 0.00 H new ATOM 610 N CYS A 42 2.835 -14.887 -3.379 1.00 0.00 N ATOM 611 CA CYS A 42 2.846 -16.165 -2.661 1.00 0.00 C ATOM 612 C CYS A 42 4.178 -16.891 -2.844 1.00 0.00 C ATOM 613 O CYS A 42 4.580 -17.200 -3.967 1.00 0.00 O ATOM 614 CB CYS A 42 1.702 -17.069 -3.159 1.00 0.00 C ATOM 615 SG CYS A 42 1.195 -18.185 -1.832 1.00 0.00 S ATOM 0 H CYS A 42 2.486 -14.939 -4.336 1.00 0.00 H new ATOM 0 HA CYS A 42 2.708 -15.949 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.857 -16.460 -3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.029 -17.643 -4.026 1.00 0.00 H new ATOM 620 N TYR A 43 4.840 -17.193 -1.728 1.00 0.00 N ATOM 621 CA TYR A 43 6.117 -17.929 -1.753 1.00 0.00 C ATOM 622 C TYR A 43 5.905 -19.324 -1.174 1.00 0.00 C ATOM 623 O TYR A 43 4.793 -19.681 -0.786 1.00 0.00 O ATOM 624 CB TYR A 43 7.215 -17.208 -0.958 1.00 0.00 C ATOM 625 CG TYR A 43 7.633 -15.947 -1.676 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.568 -16.016 -2.716 1.00 0.00 C ATOM 627 CD2 TYR A 43 7.094 -14.711 -1.299 1.00 0.00 C ATOM 628 CE1 TYR A 43 8.965 -14.850 -3.379 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.491 -13.545 -1.963 1.00 0.00 C ATOM 630 CZ TYR A 43 8.427 -13.614 -3.004 1.00 0.00 C ATOM 631 OH TYR A 43 8.818 -12.463 -3.656 1.00 0.00 O ATOM 0 H TYR A 43 4.519 -16.943 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 43 6.446 -17.991 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.851 -16.964 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.075 -17.866 -0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.983 -16.970 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.373 -14.658 -0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.687 -14.904 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.076 -12.591 -1.673 1.00 0.00 H new ATOM 0 HH TYR A 43 8.348 -11.694 -3.272 1.00 0.00 H new ATOM 641 N GLU A 44 6.970 -20.112 -1.136 1.00 0.00 N ATOM 642 CA GLU A 44 6.879 -21.474 -0.622 1.00 0.00 C ATOM 643 C GLU A 44 6.127 -21.529 0.706 1.00 0.00 C ATOM 644 O GLU A 44 5.171 -22.291 0.848 1.00 0.00 O ATOM 645 CB GLU A 44 8.284 -22.043 -0.427 1.00 0.00 C ATOM 646 CG GLU A 44 8.955 -22.230 -1.788 1.00 0.00 C ATOM 647 CD GLU A 44 10.394 -22.695 -1.598 1.00 0.00 C ATOM 648 OE1 GLU A 44 10.796 -22.862 -0.459 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.073 -22.876 -2.595 1.00 0.00 O ATOM 0 H GLU A 44 7.900 -19.837 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 44 6.326 -22.068 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.877 -21.370 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.231 -22.997 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.402 -22.961 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.937 -21.293 -2.344 1.00 0.00 H new ATOM 656 N THR A 45 6.569 -20.736 1.683 1.00 0.00 N ATOM 657 CA THR A 45 5.931 -20.728 3.005 1.00 0.00 C ATOM 658 C THR A 45 5.838 -19.313 3.572 1.00 0.00 C ATOM 659 O THR A 45 5.870 -19.124 4.787 1.00 0.00 O ATOM 660 CB THR A 45 6.743 -21.608 3.962 1.00 0.00 C ATOM 661 OG1 THR A 45 6.326 -21.371 5.299 1.00 0.00 O ATOM 662 CG2 THR A 45 8.232 -21.278 3.822 1.00 0.00 C ATOM 0 H THR A 45 7.358 -20.096 1.588 1.00 0.00 H new ATOM 0 HA THR A 45 4.918 -21.117 2.899 1.00 0.00 H new ATOM 0 HB THR A 45 6.580 -22.657 3.715 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.597 -20.469 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.809 -21.904 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.552 -21.466 2.797 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.397 -20.229 4.067 1.00 0.00 H new ATOM 670 N GLU A 46 5.704 -18.319 2.696 1.00 0.00 N ATOM 671 CA GLU A 46 5.593 -16.928 3.138 1.00 0.00 C ATOM 672 C GLU A 46 4.858 -16.093 2.092 1.00 0.00 C ATOM 673 O GLU A 46 4.855 -16.419 0.911 1.00 0.00 O ATOM 674 CB GLU A 46 6.985 -16.312 3.359 1.00 0.00 C ATOM 675 CG GLU A 46 7.667 -16.932 4.584 1.00 0.00 C ATOM 676 CD GLU A 46 8.991 -16.223 4.852 1.00 0.00 C ATOM 677 OE1 GLU A 46 9.283 -15.266 4.152 1.00 0.00 O ATOM 678 OE2 GLU A 46 9.696 -16.646 5.755 1.00 0.00 O ATOM 0 H GLU A 46 5.670 -18.447 1.685 1.00 0.00 H new ATOM 0 HA GLU A 46 5.038 -16.925 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.602 -16.470 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.893 -15.234 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.017 -16.849 5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.841 -17.995 4.416 1.00 0.00 H new ATOM 685 N ILE A 47 4.238 -15.005 2.534 1.00 0.00 N ATOM 686 CA ILE A 47 3.518 -14.108 1.632 1.00 0.00 C ATOM 687 C ILE A 47 4.027 -12.690 1.826 1.00 0.00 C ATOM 688 O ILE A 47 4.032 -12.172 2.940 1.00 0.00 O ATOM 689 CB ILE A 47 2.015 -14.164 1.921 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.470 -15.554 1.530 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.296 -13.083 1.101 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.180 -15.850 2.293 1.00 0.00 C ATOM 0 H ILE A 47 4.218 -14.721 3.513 1.00 0.00 H new ATOM 0 HA ILE A 47 3.688 -14.421 0.602 1.00 0.00 H new ATOM 0 HB ILE A 47 1.841 -13.990 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.283 -15.590 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.214 -16.319 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.226 -13.122 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.682 -12.101 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.468 -13.257 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.194 -16.833 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.379 -15.834 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.567 -15.094 2.052 1.00 0.00 H new ATOM 704 N SER A 48 4.427 -12.052 0.736 1.00 0.00 N ATOM 705 CA SER A 48 4.905 -10.677 0.803 1.00 0.00 C ATOM 706 C SER A 48 3.749 -9.751 0.488 1.00 0.00 C ATOM 707 O SER A 48 2.800 -10.162 -0.173 1.00 0.00 O ATOM 708 CB SER A 48 6.034 -10.463 -0.202 1.00 0.00 C ATOM 709 OG SER A 48 6.406 -9.091 -0.210 1.00 0.00 O ATOM 0 H SER A 48 4.431 -12.459 -0.199 1.00 0.00 H new ATOM 0 HA SER A 48 5.290 -10.467 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.892 -11.082 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.713 -10.770 -1.197 1.00 0.00 H new ATOM 0 HG SER A 48 7.132 -8.953 -0.854 1.00 0.00 H new ATOM 715 N CYS A 49 3.808 -8.514 0.964 1.00 0.00 N ATOM 716 CA CYS A 49 2.728 -7.568 0.706 1.00 0.00 C ATOM 717 C CYS A 49 3.223 -6.135 0.762 1.00 0.00 C ATOM 718 O CYS A 49 3.543 -5.615 1.830 1.00 0.00 O ATOM 719 CB CYS A 49 1.601 -7.766 1.717 1.00 0.00 C ATOM 720 SG CYS A 49 0.765 -9.334 1.372 1.00 0.00 S ATOM 0 H CYS A 49 4.578 -8.146 1.522 1.00 0.00 H new ATOM 0 HA CYS A 49 2.351 -7.759 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.001 -7.768 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.892 -6.940 1.656 1.00 0.00 H new ATOM 725 N CYS A 50 3.263 -5.493 -0.405 1.00 0.00 N ATOM 726 CA CYS A 50 3.697 -4.107 -0.504 1.00 0.00 C ATOM 727 C CYS A 50 2.503 -3.237 -0.849 1.00 0.00 C ATOM 728 O CYS A 50 1.739 -3.537 -1.766 1.00 0.00 O ATOM 729 CB CYS A 50 4.783 -3.958 -1.569 1.00 0.00 C ATOM 730 SG CYS A 50 6.043 -5.240 -1.337 1.00 0.00 S ATOM 0 H CYS A 50 2.999 -5.915 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 50 4.115 -3.793 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.345 -4.041 -2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.239 -2.970 -1.502 1.00 0.00 H new ATOM 735 N THR A 51 2.336 -2.178 -0.085 1.00 0.00 N ATOM 736 CA THR A 51 1.217 -1.273 -0.280 1.00 0.00 C ATOM 737 C THR A 51 1.436 -0.364 -1.477 1.00 0.00 C ATOM 738 O THR A 51 0.607 0.489 -1.782 1.00 0.00 O ATOM 739 CB THR A 51 1.016 -0.446 0.973 1.00 0.00 C ATOM 740 OG1 THR A 51 -0.065 0.455 0.777 1.00 0.00 O ATOM 741 CG2 THR A 51 2.292 0.335 1.301 1.00 0.00 C ATOM 0 H THR A 51 2.961 -1.920 0.679 1.00 0.00 H new ATOM 0 HA THR A 51 0.325 -1.868 -0.478 1.00 0.00 H new ATOM 0 HB THR A 51 0.788 -1.110 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.165 0.643 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.135 0.926 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.114 -0.362 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.536 0.998 0.471 1.00 0.00 H new ATOM 749 N LEU A 52 2.551 -0.581 -2.152 1.00 0.00 N ATOM 750 CA LEU A 52 2.909 0.189 -3.349 1.00 0.00 C ATOM 751 C LEU A 52 3.002 1.698 -3.067 1.00 0.00 C ATOM 752 O LEU A 52 3.866 2.384 -3.611 1.00 0.00 O ATOM 753 CB LEU A 52 1.861 -0.066 -4.441 1.00 0.00 C ATOM 754 CG LEU A 52 1.806 -1.574 -4.780 1.00 0.00 C ATOM 755 CD1 LEU A 52 0.418 -1.940 -5.320 1.00 0.00 C ATOM 756 CD2 LEU A 52 2.867 -1.912 -5.839 1.00 0.00 C ATOM 0 H LEU A 52 3.237 -1.291 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 52 3.895 -0.141 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.882 0.275 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.108 0.507 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 52 2.004 -2.144 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.388 -3.004 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.337 -1.714 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.214 -1.362 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.822 -2.976 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.676 -1.334 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.857 -1.667 -5.454 1.00 0.00 H new ATOM 768 N VAL A 53 2.100 2.204 -2.237 1.00 0.00 N ATOM 769 CA VAL A 53 2.056 3.622 -1.896 1.00 0.00 C ATOM 770 C VAL A 53 3.273 4.058 -1.081 1.00 0.00 C ATOM 771 O VAL A 53 3.850 3.274 -0.329 1.00 0.00 O ATOM 772 CB VAL A 53 0.775 3.888 -1.101 1.00 0.00 C ATOM 773 CG1 VAL A 53 0.796 5.310 -0.537 1.00 0.00 C ATOM 774 CG2 VAL A 53 -0.449 3.713 -2.018 1.00 0.00 C ATOM 0 H VAL A 53 1.379 1.645 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 53 2.068 4.200 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 53 0.714 3.178 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.119 5.491 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.657 5.428 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.865 6.025 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.360 3.903 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.386 4.417 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.470 2.695 -2.407 1.00 0.00 H new ATOM 784 N SER A 54 3.634 5.335 -1.232 1.00 0.00 N ATOM 785 CA SER A 54 4.764 5.916 -0.509 1.00 0.00 C ATOM 786 C SER A 54 4.260 6.730 0.681 1.00 0.00 C ATOM 787 O SER A 54 3.097 7.129 0.719 1.00 0.00 O ATOM 788 CB SER A 54 5.559 6.820 -1.450 1.00 0.00 C ATOM 789 OG SER A 54 5.712 6.170 -2.704 1.00 0.00 O ATOM 0 H SER A 54 3.156 5.988 -1.853 1.00 0.00 H new ATOM 0 HA SER A 54 5.406 5.115 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.044 7.772 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.536 7.043 -1.021 1.00 0.00 H new ATOM 0 HG SER A 54 6.220 6.747 -3.312 1.00 0.00 H new ATOM 795 N THR A 55 5.139 6.970 1.654 1.00 0.00 N ATOM 796 CA THR A 55 4.767 7.738 2.849 1.00 0.00 C ATOM 797 C THR A 55 5.369 9.152 2.807 1.00 0.00 C ATOM 798 O THR A 55 6.576 9.297 2.604 1.00 0.00 O ATOM 799 CB THR A 55 5.272 7.028 4.107 1.00 0.00 C ATOM 800 OG1 THR A 55 4.852 5.670 4.086 1.00 0.00 O ATOM 801 CG2 THR A 55 4.704 7.722 5.345 1.00 0.00 C ATOM 0 H THR A 55 6.107 6.648 1.642 1.00 0.00 H new ATOM 0 HA THR A 55 3.680 7.813 2.870 1.00 0.00 H new ATOM 0 HB THR A 55 6.361 7.069 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.177 5.215 4.891 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.063 7.217 6.242 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.028 8.763 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.615 7.682 5.317 1.00 0.00 H new ATOM 809 N PRO A 56 4.584 10.195 3.016 1.00 0.00 N ATOM 810 CA PRO A 56 5.110 11.590 3.017 1.00 0.00 C ATOM 811 C PRO A 56 5.789 11.916 4.343 1.00 0.00 C ATOM 812 O PRO A 56 5.199 11.739 5.408 1.00 0.00 O ATOM 813 CB PRO A 56 3.854 12.444 2.829 1.00 0.00 C ATOM 814 CG PRO A 56 2.767 11.654 3.483 1.00 0.00 C ATOM 815 CD PRO A 56 3.128 10.177 3.269 1.00 0.00 C ATOM 0 HA PRO A 56 5.862 11.759 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.967 13.424 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.643 12.613 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.699 11.889 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.797 11.886 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.883 9.576 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.582 9.751 2.427 1.00 0.00 H new ATOM 823 N VAL A 57 7.026 12.386 4.278 1.00 0.00 N ATOM 824 CA VAL A 57 7.770 12.726 5.488 1.00 0.00 C ATOM 825 C VAL A 57 8.656 13.940 5.236 1.00 0.00 C ATOM 826 O VAL A 57 9.123 14.158 4.118 1.00 0.00 O ATOM 827 CB VAL A 57 8.618 11.530 5.911 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.443 11.056 4.717 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.552 11.930 7.058 1.00 0.00 C ATOM 0 H VAL A 57 7.535 12.541 3.408 1.00 0.00 H new ATOM 0 HA VAL A 57 7.070 12.971 6.287 1.00 0.00 H new ATOM 0 HB VAL A 57 7.967 10.725 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.052 10.201 5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.775 10.764 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.092 11.864 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.154 11.071 7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.208 12.736 6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.960 12.268 7.908 1.00 0.00 H new ATOM 839 N GLY A 58 8.884 14.728 6.281 1.00 0.00 N ATOM 840 CA GLY A 58 9.714 15.919 6.157 1.00 0.00 C ATOM 841 C GLY A 58 8.895 17.100 5.652 1.00 0.00 C ATOM 842 O GLY A 58 9.376 17.908 4.858 1.00 0.00 O ATOM 0 H GLY A 58 8.509 14.565 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.154 16.163 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.539 15.723 5.472 1.00 0.00 H new ATOM 846 N TYR A 59 7.649 17.193 6.117 1.00 0.00 N ATOM 847 CA TYR A 59 6.763 18.280 5.705 1.00 0.00 C ATOM 848 C TYR A 59 5.981 18.802 6.902 1.00 0.00 C ATOM 849 O TYR A 59 5.863 18.124 7.923 1.00 0.00 O ATOM 850 CB TYR A 59 5.787 17.789 4.629 1.00 0.00 C ATOM 851 CG TYR A 59 4.776 16.826 5.228 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.186 15.570 5.693 1.00 0.00 C ATOM 853 CD2 TYR A 59 3.426 17.195 5.314 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.246 14.686 6.241 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.488 16.312 5.859 1.00 0.00 C ATOM 856 CZ TYR A 59 2.898 15.056 6.322 1.00 0.00 C ATOM 857 OH TYR A 59 1.972 14.183 6.858 1.00 0.00 O ATOM 0 H TYR A 59 7.233 16.533 6.775 1.00 0.00 H new ATOM 0 HA TYR A 59 7.371 19.086 5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.269 18.639 4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.338 17.296 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.225 15.283 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.109 18.164 4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.562 13.718 6.601 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.449 16.599 5.923 1.00 0.00 H new ATOM 0 HH TYR A 59 1.084 14.597 6.840 1.00 0.00 H new ATOM 867 N ASP A 60 5.452 20.011 6.773 1.00 0.00 N ATOM 868 CA ASP A 60 4.688 20.609 7.861 1.00 0.00 C ATOM 869 C ASP A 60 3.352 19.897 8.016 1.00 0.00 C ATOM 870 O ASP A 60 2.392 20.188 7.307 1.00 0.00 O ATOM 871 CB ASP A 60 4.444 22.092 7.590 1.00 0.00 C ATOM 872 CG ASP A 60 5.760 22.859 7.670 1.00 0.00 C ATOM 873 OD1 ASP A 60 6.710 22.311 8.203 1.00 0.00 O ATOM 874 OD2 ASP A 60 5.797 23.983 7.195 1.00 0.00 O ATOM 0 H ASP A 60 5.535 20.591 5.938 1.00 0.00 H new ATOM 0 HA ASP A 60 5.263 20.505 8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.997 22.222 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.736 22.491 8.316 1.00 0.00 H new ATOM 879 N LYS A 61 3.309 18.947 8.937 1.00 0.00 N ATOM 880 CA LYS A 61 2.099 18.174 9.166 1.00 0.00 C ATOM 881 C LYS A 61 0.944 19.069 9.607 1.00 0.00 C ATOM 882 O LYS A 61 -0.191 18.887 9.164 1.00 0.00 O ATOM 883 CB LYS A 61 2.348 17.121 10.247 1.00 0.00 C ATOM 884 CG LYS A 61 3.373 16.095 9.756 1.00 0.00 C ATOM 885 CD LYS A 61 3.629 15.072 10.866 1.00 0.00 C ATOM 886 CE LYS A 61 4.663 14.049 10.389 1.00 0.00 C ATOM 887 NZ LYS A 61 4.910 13.048 11.466 1.00 0.00 N ATOM 0 H LYS A 61 4.095 18.694 9.536 1.00 0.00 H new ATOM 0 HA LYS A 61 1.832 17.692 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.709 17.601 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.413 16.620 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.005 15.594 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.303 16.594 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.987 15.576 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.700 14.568 11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.306 13.549 9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.593 14.553 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.613 12.354 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.269 13.532 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.021 12.559 11.696 1.00 0.00 H new ATOM 901 N ASP A 62 1.220 20.021 10.489 1.00 0.00 N ATOM 902 CA ASP A 62 0.183 20.916 10.983 1.00 0.00 C ATOM 903 C ASP A 62 -0.340 21.852 9.890 1.00 0.00 C ATOM 904 O ASP A 62 -1.545 22.074 9.778 1.00 0.00 O ATOM 905 CB ASP A 62 0.746 21.745 12.139 1.00 0.00 C ATOM 906 CG ASP A 62 0.946 20.863 13.368 1.00 0.00 C ATOM 907 OD1 ASP A 62 0.388 19.779 13.396 1.00 0.00 O ATOM 908 OD2 ASP A 62 1.658 21.287 14.265 1.00 0.00 O ATOM 0 H ASP A 62 2.148 20.192 10.875 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.654 20.305 11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.695 22.195 11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.065 22.563 12.376 1.00 0.00 H new ATOM 913 N ASN A 63 0.571 22.422 9.107 1.00 0.00 N ATOM 914 CA ASN A 63 0.179 23.357 8.049 1.00 0.00 C ATOM 915 C ASN A 63 -0.361 22.627 6.824 1.00 0.00 C ATOM 916 O ASN A 63 -1.193 23.161 6.088 1.00 0.00 O ATOM 917 CB ASN A 63 1.368 24.225 7.643 1.00 0.00 C ATOM 918 CG ASN A 63 1.974 24.881 8.880 1.00 0.00 C ATOM 919 OD1 ASN A 63 3.189 25.067 8.952 1.00 0.00 O ATOM 920 ND2 ASN A 63 1.195 25.244 9.866 1.00 0.00 N ATOM 0 H ASN A 63 1.575 22.258 9.180 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.616 23.987 8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.118 23.617 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.047 24.989 6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.594 25.682 10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.189 25.089 9.805 1.00 0.00 H new ATOM 927 N CYS A 64 0.120 21.408 6.609 1.00 0.00 N ATOM 928 CA CYS A 64 -0.307 20.599 5.466 1.00 0.00 C ATOM 929 C CYS A 64 -0.847 19.256 5.932 1.00 0.00 C ATOM 930 O CYS A 64 -0.292 18.629 6.833 1.00 0.00 O ATOM 931 CB CYS A 64 0.878 20.365 4.532 1.00 0.00 C ATOM 932 SG CYS A 64 1.346 21.916 3.729 1.00 0.00 S ATOM 0 H CYS A 64 0.807 20.955 7.211 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.097 21.135 4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.723 19.968 5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.618 19.620 3.780 1.00 0.00 H new ATOM 937 N GLN A 65 -1.926 18.816 5.299 1.00 0.00 N ATOM 938 CA GLN A 65 -2.549 17.534 5.630 1.00 0.00 C ATOM 939 C GLN A 65 -2.392 16.557 4.471 1.00 0.00 C ATOM 940 O GLN A 65 -2.595 16.912 3.310 1.00 0.00 O ATOM 941 CB GLN A 65 -4.031 17.742 5.932 1.00 0.00 C ATOM 942 CG GLN A 65 -4.673 18.521 4.788 1.00 0.00 C ATOM 943 CD GLN A 65 -6.129 18.821 5.116 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.455 19.137 6.260 1.00 0.00 O ATOM 945 NE2 GLN A 65 -7.032 18.741 4.178 1.00 0.00 N ATOM 0 H GLN A 65 -2.392 19.328 4.550 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.056 17.120 6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.527 16.780 6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.150 18.285 6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.130 19.451 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.611 17.945 3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.761 18.479 3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.009 18.940 4.392 1.00 0.00 H new ATOM 954 N ARG A 66 -2.013 15.328 4.796 1.00 0.00 N ATOM 955 CA ARG A 66 -1.815 14.300 3.780 1.00 0.00 C ATOM 956 C ARG A 66 -3.150 13.667 3.382 1.00 0.00 C ATOM 957 O ARG A 66 -3.985 13.373 4.235 1.00 0.00 O ATOM 958 CB ARG A 66 -0.870 13.230 4.331 1.00 0.00 C ATOM 959 CG ARG A 66 -1.486 12.604 5.585 1.00 0.00 C ATOM 960 CD ARG A 66 -0.438 11.756 6.307 1.00 0.00 C ATOM 961 NE ARG A 66 -0.003 10.656 5.455 1.00 0.00 N ATOM 962 CZ ARG A 66 -0.699 9.527 5.377 1.00 0.00 C ATOM 963 NH1 ARG A 66 -1.800 9.391 6.066 1.00 0.00 N ATOM 964 NH2 ARG A 66 -0.281 8.559 4.612 1.00 0.00 N ATOM 0 H ARG A 66 -1.837 15.018 5.752 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.379 14.756 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.693 12.463 3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.098 13.672 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.856 13.385 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.342 11.987 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.417 12.375 6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.854 11.364 7.235 1.00 0.00 H new ATOM 0 HE ARG A 66 0.852 10.755 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.125 10.151 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.335 8.525 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.579 8.669 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.814 7.691 4.551 1.00 0.00 H new ATOM 978 N ILE A 67 -3.345 13.482 2.073 1.00 0.00 N ATOM 979 CA ILE A 67 -4.588 12.905 1.543 1.00 0.00 C ATOM 980 C ILE A 67 -4.303 11.635 0.737 1.00 0.00 C ATOM 981 O ILE A 67 -3.377 11.594 -0.074 1.00 0.00 O ATOM 982 CB ILE A 67 -5.279 13.938 0.656 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.641 15.162 1.505 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.551 13.329 0.063 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.981 16.338 0.590 1.00 0.00 C ATOM 0 H ILE A 67 -2.658 13.723 1.359 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.236 12.637 2.378 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.613 14.237 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.490 14.932 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.808 15.424 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.046 14.065 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.292 12.453 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.223 13.034 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.238 17.207 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.120 16.573 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.828 16.073 -0.043 1.00 0.00 H new ATOM 997 N PHE A 68 -5.098 10.594 0.991 1.00 0.00 N ATOM 998 CA PHE A 68 -4.927 9.303 0.318 1.00 0.00 C ATOM 999 C PHE A 68 -5.700 9.224 -1.007 1.00 0.00 C ATOM 1000 O PHE A 68 -6.917 9.405 -1.042 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.405 8.183 1.253 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.381 6.861 0.521 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.165 6.349 0.055 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.571 6.156 0.296 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.137 5.134 -0.637 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.544 4.939 -0.391 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.327 4.428 -0.861 1.00 0.00 C ATOM 0 H PHE A 68 -5.868 10.619 1.659 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.868 9.190 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.764 8.133 2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.414 8.396 1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.248 6.892 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.509 6.553 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.199 4.740 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.460 4.393 -0.559 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.306 3.490 -1.396 1.00 0.00 H new ATOM 1017 N LYS A 69 -4.971 8.922 -2.088 1.00 0.00 N ATOM 1018 CA LYS A 69 -5.570 8.778 -3.426 1.00 0.00 C ATOM 1019 C LYS A 69 -5.272 7.376 -3.979 1.00 0.00 C ATOM 1020 O LYS A 69 -4.190 7.132 -4.515 1.00 0.00 O ATOM 1021 CB LYS A 69 -4.994 9.845 -4.393 1.00 0.00 C ATOM 1022 CG LYS A 69 -5.988 11.001 -4.606 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.133 11.815 -3.320 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.110 12.968 -3.560 1.00 0.00 C ATOM 1025 NZ LYS A 69 -6.562 13.869 -4.613 1.00 0.00 N ATOM 0 H LYS A 69 -3.962 8.772 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.648 8.919 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.059 10.236 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.761 9.382 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.642 11.644 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.958 10.606 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.494 11.179 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.163 12.203 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.081 12.579 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.268 13.524 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.656 14.858 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.558 13.649 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.089 13.729 -5.498 1.00 0.00 H new ATOM 1039 N LYS A 70 -6.230 6.470 -3.848 1.00 0.00 N ATOM 1040 CA LYS A 70 -6.060 5.104 -4.341 1.00 0.00 C ATOM 1041 C LYS A 70 -5.949 5.075 -5.863 1.00 0.00 C ATOM 1042 O LYS A 70 -5.188 4.288 -6.423 1.00 0.00 O ATOM 1043 CB LYS A 70 -7.248 4.245 -3.904 1.00 0.00 C ATOM 1044 CG LYS A 70 -8.549 4.910 -4.356 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.751 4.143 -3.802 1.00 0.00 C ATOM 1046 CE LYS A 70 -11.038 4.786 -4.324 1.00 0.00 C ATOM 1047 NZ LYS A 70 -11.175 6.162 -3.763 1.00 0.00 N ATOM 0 H LYS A 70 -7.131 6.652 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.137 4.706 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.168 3.247 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.245 4.125 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.577 5.944 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.594 4.936 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.703 3.097 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.738 4.159 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.020 4.827 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.899 4.180 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.157 6.486 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.925 6.152 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.538 6.809 -4.270 1.00 0.00 H new ATOM 1061 N GLU A 71 -6.745 5.903 -6.526 1.00 0.00 N ATOM 1062 CA GLU A 71 -6.765 5.930 -7.986 1.00 0.00 C ATOM 1063 C GLU A 71 -5.363 6.049 -8.565 1.00 0.00 C ATOM 1064 O GLU A 71 -5.090 5.538 -9.650 1.00 0.00 O ATOM 1065 CB GLU A 71 -7.620 7.100 -8.471 1.00 0.00 C ATOM 1066 CG GLU A 71 -7.764 7.037 -9.992 1.00 0.00 C ATOM 1067 CD GLU A 71 -8.679 8.157 -10.475 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -8.471 9.287 -10.063 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -9.576 7.869 -11.250 1.00 0.00 O ATOM 0 H GLU A 71 -7.383 6.563 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.193 4.989 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.603 7.064 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.161 8.044 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.785 7.127 -10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.171 6.070 -10.287 1.00 0.00 H new ATOM 1076 N ASP A 72 -4.472 6.719 -7.840 1.00 0.00 N ATOM 1077 CA ASP A 72 -3.092 6.897 -8.292 1.00 0.00 C ATOM 1078 C ASP A 72 -2.125 6.236 -7.320 1.00 0.00 C ATOM 1079 O ASP A 72 -0.912 6.416 -7.419 1.00 0.00 O ATOM 1080 CB ASP A 72 -2.774 8.385 -8.386 1.00 0.00 C ATOM 1081 CG ASP A 72 -3.521 9.006 -9.562 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -3.974 8.259 -10.413 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -3.627 10.221 -9.595 1.00 0.00 O ATOM 0 H ASP A 72 -4.679 7.148 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.982 6.432 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.058 8.885 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.701 8.529 -8.510 1.00 0.00 H new ATOM 1088 N CYS A 73 -2.669 5.467 -6.381 1.00 0.00 N ATOM 1089 CA CYS A 73 -1.847 4.777 -5.392 1.00 0.00 C ATOM 1090 C CYS A 73 -0.685 5.656 -4.933 1.00 0.00 C ATOM 1091 O CYS A 73 0.479 5.323 -5.153 1.00 0.00 O ATOM 1092 CB CYS A 73 -1.301 3.479 -5.989 1.00 0.00 C ATOM 1093 SG CYS A 73 -2.673 2.430 -6.538 1.00 0.00 S ATOM 0 H CYS A 73 -3.672 5.306 -6.284 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.472 4.552 -4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.644 3.703 -6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.702 2.951 -5.247 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.009 6.772 -4.289 1.00 0.00 N ATOM 1099 CA LYS A 74 0.018 7.679 -3.798 1.00 0.00 C ATOM 1100 C LYS A 74 -0.549 8.635 -2.758 1.00 0.00 C ATOM 1101 O LYS A 74 -1.749 8.908 -2.736 1.00 0.00 O ATOM 1102 CB LYS A 74 0.628 8.484 -4.957 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.406 9.451 -5.557 1.00 0.00 C ATOM 1104 CD LYS A 74 0.244 10.225 -6.708 1.00 0.00 C ATOM 1105 CE LYS A 74 -0.760 11.215 -7.305 1.00 0.00 C ATOM 1106 NZ LYS A 74 -0.112 11.957 -8.423 1.00 0.00 N ATOM 0 H LYS A 74 -1.966 7.067 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 74 0.796 7.075 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.492 9.045 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.986 7.803 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.273 8.898 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.763 10.142 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.123 10.759 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.585 9.532 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.640 10.684 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.101 11.912 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.791 12.631 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.715 12.474 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.192 11.285 -9.156 1.00 0.00 H new ATOM 1120 N TYR A 75 0.335 9.173 -1.920 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.057 10.141 -0.894 1.00 0.00 C ATOM 1122 C TYR A 75 0.407 11.527 -1.318 1.00 0.00 C ATOM 1123 O TYR A 75 1.531 11.698 -1.790 1.00 0.00 O ATOM 1124 CB TYR A 75 0.572 9.770 0.475 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.447 9.086 1.366 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.532 9.820 1.859 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.302 7.737 1.711 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.471 9.207 2.693 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.242 7.124 2.548 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.327 7.860 3.039 1.00 0.00 C ATOM 1131 OH TYR A 75 -3.254 7.256 3.864 1.00 0.00 O ATOM 0 H TYR A 75 1.331 8.955 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.142 10.129 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.428 9.112 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.945 10.669 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.644 10.861 1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.535 7.169 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.309 9.774 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.130 6.083 2.815 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.006 6.318 4.003 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.462 12.513 -1.140 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.144 13.891 -1.491 1.00 0.00 C ATOM 1143 C ILE A 76 -0.424 14.794 -0.302 1.00 0.00 C ATOM 1144 O ILE A 76 -1.372 14.570 0.451 1.00 0.00 O ATOM 1145 CB ILE A 76 -0.979 14.327 -2.700 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.473 14.159 -2.392 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.611 13.464 -3.909 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.299 14.752 -3.534 1.00 0.00 C ATOM 0 H ILE A 76 -1.397 12.383 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 76 0.912 13.965 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.773 15.375 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.713 13.103 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.720 14.656 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.204 13.772 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.448 13.587 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.815 12.417 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.360 14.633 -3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.067 15.812 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.060 14.235 -4.463 1.00 0.00 H new ATOM 1160 N VAL A 77 0.406 15.814 -0.141 1.00 0.00 N ATOM 1161 CA VAL A 77 0.256 16.761 0.958 1.00 0.00 C ATOM 1162 C VAL A 77 0.078 18.166 0.402 1.00 0.00 C ATOM 1163 O VAL A 77 0.868 18.631 -0.419 1.00 0.00 O ATOM 1164 CB VAL A 77 1.495 16.707 1.871 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.365 15.550 2.867 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.747 16.491 1.017 1.00 0.00 C ATOM 0 H VAL A 77 1.194 16.009 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.624 16.495 1.544 1.00 0.00 H new ATOM 0 HB VAL A 77 1.573 17.647 2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.246 15.521 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.475 15.696 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.281 14.609 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.625 16.453 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.657 15.552 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.852 17.314 0.310 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.976 18.835 0.859 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.278 20.197 0.414 1.00 0.00 C ATOM 1178 C VAL A 78 -1.533 21.091 1.621 1.00 0.00 C ATOM 1179 O VAL A 78 -1.805 20.601 2.718 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.520 20.198 -0.488 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -2.257 19.408 -1.792 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.696 19.581 0.282 1.00 0.00 C ATOM 0 H VAL A 78 -1.638 18.458 1.538 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.425 20.576 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.760 21.225 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.152 19.424 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.430 19.866 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.003 18.377 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.583 19.577 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.448 18.558 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.892 20.169 1.179 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.456 22.400 1.414 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.691 23.348 2.496 1.00 0.00 C ATOM 1194 C GLU A 79 -3.158 23.324 2.902 1.00 0.00 C ATOM 1195 O GLU A 79 -4.033 23.062 2.076 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.303 24.757 2.049 1.00 0.00 C ATOM 1197 CG GLU A 79 0.216 24.837 1.878 1.00 0.00 C ATOM 1198 CD GLU A 79 0.608 26.201 1.323 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -0.282 27.003 1.090 1.00 0.00 O ATOM 1200 OE2 GLU A 79 1.793 26.425 1.138 1.00 0.00 O ATOM 0 H GLU A 79 -1.235 22.827 0.514 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.080 23.063 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.799 25.002 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.636 25.488 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.707 24.671 2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.556 24.050 1.205 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.430 23.622 4.166 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.799 23.655 4.647 1.00 0.00 C ATOM 1209 C LYS A 80 -5.513 24.899 4.126 1.00 0.00 C ATOM 1210 O LYS A 80 -6.697 24.860 3.794 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.787 23.642 6.170 1.00 0.00 C ATOM 1212 CG LYS A 80 -4.308 22.270 6.644 1.00 0.00 C ATOM 1213 CD LYS A 80 -4.158 22.286 8.160 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.770 20.893 8.659 1.00 0.00 C ATOM 1215 NZ LYS A 80 -3.635 20.914 10.143 1.00 0.00 N ATOM 0 H LYS A 80 -2.725 23.842 4.869 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.338 22.781 4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.129 24.424 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.785 23.849 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.020 21.500 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.356 22.022 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.398 23.011 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.093 22.601 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.526 20.166 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.831 20.581 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.625 19.939 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.748 21.390 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.438 21.428 10.557 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.778 26.007 4.072 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.335 27.270 3.604 1.00 0.00 C ATOM 1231 C LYS A 81 -5.767 27.157 2.147 1.00 0.00 C ATOM 1232 O LYS A 81 -6.845 27.618 1.769 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.283 28.379 3.733 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.068 28.749 5.207 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.227 27.682 5.925 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.790 28.215 7.294 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.991 28.423 8.153 1.00 0.00 N ATOM 0 H LYS A 81 -3.797 26.054 4.346 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.205 27.511 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.342 28.048 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.603 29.259 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.569 29.716 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.032 28.852 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.807 26.767 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.353 27.428 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.107 27.511 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.248 29.153 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.690 28.637 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.550 29.217 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.572 27.560 8.153 1.00 0.00 H new ATOM 1251 N ASP A 82 -4.916 26.542 1.335 1.00 0.00 N ATOM 1252 CA ASP A 82 -5.201 26.361 -0.092 1.00 0.00 C ATOM 1253 C ASP A 82 -4.855 24.931 -0.518 1.00 0.00 C ATOM 1254 O ASP A 82 -3.744 24.671 -0.978 1.00 0.00 O ATOM 1255 CB ASP A 82 -4.369 27.348 -0.915 1.00 0.00 C ATOM 1256 CG ASP A 82 -4.429 28.736 -0.287 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -5.502 29.315 -0.274 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -3.397 29.202 0.170 1.00 0.00 O ATOM 0 H ASP A 82 -4.020 26.158 1.636 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.262 26.543 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.335 27.008 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.744 27.387 -1.938 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.771 24.005 -0.368 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.542 22.574 -0.742 1.00 0.00 C ATOM 1265 C PRO A 83 -5.165 22.403 -2.217 1.00 0.00 C ATOM 1266 O PRO A 83 -4.646 21.359 -2.614 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.886 21.889 -0.431 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.562 22.791 0.551 1.00 0.00 C ATOM 1269 CD PRO A 83 -7.121 24.206 0.188 1.00 0.00 C ATOM 0 HA PRO A 83 -4.704 22.144 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.485 21.768 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.734 20.894 -0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.646 22.692 0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.275 22.542 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.792 24.663 -0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.104 24.859 1.061 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.421 23.428 -3.021 1.00 0.00 N ATOM 1278 CA LYS A 84 -5.094 23.368 -4.443 1.00 0.00 C ATOM 1279 C LYS A 84 -3.585 23.245 -4.640 1.00 0.00 C ATOM 1280 O LYS A 84 -3.117 22.505 -5.508 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.596 24.635 -5.143 1.00 0.00 C ATOM 1282 CG LYS A 84 -7.124 24.654 -5.135 1.00 0.00 C ATOM 1283 CD LYS A 84 -7.622 25.944 -5.790 1.00 0.00 C ATOM 1284 CE LYS A 84 -9.153 25.963 -5.790 1.00 0.00 C ATOM 1285 NZ LYS A 84 -9.635 27.242 -6.383 1.00 0.00 N ATOM 0 H LYS A 84 -5.849 24.303 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.580 22.493 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.209 25.520 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.227 24.667 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.512 23.788 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.494 24.587 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.238 26.810 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.248 26.013 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.538 25.118 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.528 25.858 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.675 27.255 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.279 28.041 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.288 27.324 -7.360 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.831 23.991 -3.835 1.00 0.00 N ATOM 1300 CA LYS A 85 -1.373 23.983 -3.922 1.00 0.00 C ATOM 1301 C LYS A 85 -0.774 22.821 -3.140 1.00 0.00 C ATOM 1302 O LYS A 85 -1.302 22.413 -2.108 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.811 25.306 -3.377 1.00 0.00 C ATOM 1304 CG LYS A 85 -1.060 26.451 -4.374 1.00 0.00 C ATOM 1305 CD LYS A 85 0.045 26.472 -5.439 1.00 0.00 C ATOM 1306 CE LYS A 85 -0.176 27.659 -6.375 1.00 0.00 C ATOM 1307 NZ LYS A 85 -1.502 27.524 -7.037 1.00 0.00 N ATOM 0 H LYS A 85 -3.206 24.609 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.102 23.866 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.280 25.540 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.258 25.204 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.032 26.324 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.085 27.404 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.023 26.547 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.037 25.541 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.130 28.592 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.615 27.698 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.522 28.109 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.663 26.529 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.249 27.840 -6.386 1.00 0.00 H new ATOM 1321 N THR A 86 0.338 22.295 -3.644 1.00 0.00 N ATOM 1322 CA THR A 86 1.015 21.177 -2.991 1.00 0.00 C ATOM 1323 C THR A 86 1.917 21.670 -1.864 1.00 0.00 C ATOM 1324 O THR A 86 2.216 22.860 -1.767 1.00 0.00 O ATOM 1325 CB THR A 86 1.852 20.407 -4.018 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.836 21.274 -4.567 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.948 19.885 -5.138 1.00 0.00 C ATOM 0 H THR A 86 0.789 22.622 -4.499 1.00 0.00 H new ATOM 0 HA THR A 86 0.257 20.519 -2.566 1.00 0.00 H new ATOM 0 HB THR A 86 2.338 19.563 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.374 20.784 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.548 19.338 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.194 19.220 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.457 20.724 -5.630 1.00 0.00 H new ATOM 1335 N CYS A 87 2.346 20.739 -1.012 1.00 0.00 N ATOM 1336 CA CYS A 87 3.217 21.062 0.120 1.00 0.00 C ATOM 1337 C CYS A 87 4.630 20.525 -0.123 1.00 0.00 C ATOM 1338 O CYS A 87 4.817 19.570 -0.878 1.00 0.00 O ATOM 1339 CB CYS A 87 2.635 20.455 1.409 1.00 0.00 C ATOM 1340 SG CYS A 87 3.101 21.481 2.827 1.00 0.00 S ATOM 0 H CYS A 87 2.104 19.751 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 87 3.273 22.145 0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.549 20.391 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.006 19.439 1.545 1.00 0.00 H new ATOM 1345 N SER A 88 5.618 21.147 0.514 1.00 0.00 N ATOM 1346 CA SER A 88 7.004 20.720 0.349 1.00 0.00 C ATOM 1347 C SER A 88 7.296 19.488 1.205 1.00 0.00 C ATOM 1348 O SER A 88 6.853 19.395 2.350 1.00 0.00 O ATOM 1349 CB SER A 88 7.950 21.852 0.748 1.00 0.00 C ATOM 1350 OG SER A 88 7.576 22.351 2.025 1.00 0.00 O ATOM 0 H SER A 88 5.488 21.940 1.143 1.00 0.00 H new ATOM 0 HA SER A 88 7.160 20.465 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.978 21.490 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.912 22.651 0.008 1.00 0.00 H new ATOM 0 HG SER A 88 8.183 23.076 2.283 1.00 0.00 H new ATOM 1356 N VAL A 89 8.050 18.547 0.637 1.00 0.00 N ATOM 1357 CA VAL A 89 8.411 17.312 1.342 1.00 0.00 C ATOM 1358 C VAL A 89 9.904 17.035 1.186 1.00 0.00 C ATOM 1359 O VAL A 89 10.447 17.142 0.086 1.00 0.00 O ATOM 1360 CB VAL A 89 7.601 16.144 0.772 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.642 14.959 1.741 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.152 16.593 0.575 1.00 0.00 C ATOM 0 H VAL A 89 8.424 18.614 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 89 8.185 17.426 2.402 1.00 0.00 H new ATOM 0 HB VAL A 89 8.028 15.836 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.064 14.132 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.675 14.643 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.216 15.258 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.567 15.767 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.732 16.898 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.123 17.434 -0.118 1.00 0.00 H new ATOM 1372 N SER A 90 10.564 16.674 2.282 1.00 0.00 N ATOM 1373 CA SER A 90 11.993 16.378 2.237 1.00 0.00 C ATOM 1374 C SER A 90 12.265 15.100 1.449 1.00 0.00 C ATOM 1375 O SER A 90 13.222 15.027 0.676 1.00 0.00 O ATOM 1376 CB SER A 90 12.538 16.221 3.658 1.00 0.00 C ATOM 1377 OG SER A 90 13.952 16.362 3.639 1.00 0.00 O ATOM 0 H SER A 90 10.138 16.580 3.204 1.00 0.00 H new ATOM 0 HA SER A 90 12.493 17.208 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.095 16.971 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.264 15.245 4.059 1.00 0.00 H new ATOM 0 HG SER A 90 14.303 16.263 4.549 1.00 0.00 H new ATOM 1383 N GLU A 91 11.422 14.090 1.657 1.00 0.00 N ATOM 1384 CA GLU A 91 11.598 12.817 0.965 1.00 0.00 C ATOM 1385 C GLU A 91 10.409 11.885 1.194 1.00 0.00 C ATOM 1386 O GLU A 91 9.588 12.111 2.081 1.00 0.00 O ATOM 1387 CB GLU A 91 12.884 12.146 1.461 1.00 0.00 C ATOM 1388 CG GLU A 91 12.721 11.707 2.920 1.00 0.00 C ATOM 1389 CD GLU A 91 14.050 11.184 3.452 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.800 10.625 2.670 1.00 0.00 O ATOM 1391 OE2 GLU A 91 14.299 11.352 4.635 1.00 0.00 O ATOM 0 H GLU A 91 10.622 14.127 2.289 1.00 0.00 H new ATOM 0 HA GLU A 91 11.666 13.015 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.117 11.283 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.722 12.838 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.381 12.547 3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.959 10.931 2.993 1.00 0.00 H new ATOM 1398 N TRP A 92 10.338 10.823 0.387 1.00 0.00 N ATOM 1399 CA TRP A 92 9.264 9.831 0.493 1.00 0.00 C ATOM 1400 C TRP A 92 9.862 8.451 0.778 1.00 0.00 C ATOM 1401 O TRP A 92 10.948 8.129 0.297 1.00 0.00 O ATOM 1402 CB TRP A 92 8.478 9.780 -0.820 1.00 0.00 C ATOM 1403 CG TRP A 92 7.841 11.107 -1.071 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.492 12.217 -1.494 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.442 11.483 -0.931 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.580 13.252 -1.615 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.302 12.846 -1.281 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.292 10.777 -0.535 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 5.065 13.487 -1.239 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 4.045 11.418 -0.493 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.930 12.772 -0.844 1.00 0.00 C ATOM 0 H TRP A 92 11.015 10.627 -0.350 1.00 0.00 H new ATOM 0 HA TRP A 92 8.596 10.113 1.307 1.00 0.00 H new ATOM 0 HB2 TRP A 92 9.143 9.522 -1.644 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.716 9.002 -0.770 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.550 12.284 -1.703 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.822 14.197 -1.914 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.369 9.735 -0.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.984 14.529 -1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.168 10.866 -0.189 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.967 13.260 -0.809 1.00 0.00 H new ATOM 1422 N ILE A 93 9.149 7.637 1.556 1.00 0.00 N ATOM 1423 CA ILE A 93 9.629 6.291 1.891 1.00 0.00 C ATOM 1424 C ILE A 93 8.922 5.252 1.027 1.00 0.00 C ATOM 1425 O ILE A 93 7.693 5.216 0.964 1.00 0.00 O ATOM 1426 CB ILE A 93 9.362 5.985 3.365 1.00 0.00 C ATOM 1427 CG1 ILE A 93 10.034 7.047 4.238 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.935 4.611 3.716 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.567 6.884 5.686 1.00 0.00 C ATOM 0 H ILE A 93 8.246 7.880 1.964 1.00 0.00 H new ATOM 0 HA ILE A 93 10.702 6.251 1.703 1.00 0.00 H new ATOM 0 HB ILE A 93 8.287 5.990 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.118 6.948 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.785 8.044 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.744 4.395 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.460 3.850 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.010 4.608 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.045 7.640 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.485 7.004 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.838 5.892 6.046 1.00 0.00 H new ATOM 1441 N ILE A 94 9.706 4.413 0.359 1.00 0.00 N ATOM 1442 CA ILE A 94 9.145 3.380 -0.504 1.00 0.00 C ATOM 1443 C ILE A 94 10.222 2.378 -0.907 1.00 0.00 C ATOM 1444 O ILE A 94 9.931 1.193 -0.908 1.00 0.00 O ATOM 1445 CB ILE A 94 8.534 4.029 -1.752 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.872 2.963 -2.640 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.633 4.738 -2.544 1.00 0.00 C ATOM 1448 CD1 ILE A 94 6.714 2.286 -1.895 1.00 0.00 C ATOM 1449 OXT ILE A 94 11.322 2.811 -1.208 1.00 0.00 O ATOM 0 H ILE A 94 10.725 4.427 0.398 1.00 0.00 H new ATOM 0 HA ILE A 94 8.367 2.847 0.042 1.00 0.00 H new ATOM 0 HB ILE A 94 7.777 4.749 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.503 3.423 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.610 2.216 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.201 5.200 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.092 5.506 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.390 4.014 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.257 1.534 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.093 1.808 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.968 3.034 -1.625 1.00 0.00 H new