USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 798 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 17 HIS : no HD1:sc= -0.391 K(o=0.023,f=-5.2) USER MOD Set 1.2: A 19 THR OG1 : rot -19:sc= 0.413 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -132:sc= 1.07 (180deg=0.578) USER MOD Single : A 24 THR OG1 : rot -14:sc= 0.964 USER MOD Single : A 25 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 38 MET CE :methyl -171:sc= -0.0687 (180deg=-0.259) USER MOD Single : A 41 THR OG1 : rot -6:sc= 0.583 USER MOD Single : A 42 GLN : amide:sc= -0.0024 K(o=-0.0024,f=-3.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.87 K(o=0.87,f=-2.7!) USER MOD Single : A 59 TYR OH : rot 141:sc= 0.721 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 65 TYR OH : rot 115:sc= 1.32 USER MOD Single : A 67 TYR OH : rot -104:sc= 0.293 USER MOD Single : A 69 SER OG : rot 180:sc= 0.054 USER MOD Single : A 70 ASN : amide:sc= -4.53! C(o=-4.5!,f=-6.7!) USER MOD Single : A 73 SER OG : rot 43:sc= 0.654 USER MOD Single : A 76 SER OG : rot 5:sc= 0.503 USER MOD Single : A 80 CYS SG : rot 170:sc= -0.188 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 82 THR OG1 : rot 126:sc= 1.34! USER MOD Single : A 84 GLN : amide:sc=-0.00268 K(o=-0.0027,f=-1.3!) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= 0.115 (180deg=0) USER MOD Single : A 91 CYS SG : rot 41:sc= -0.446 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.3!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -137:sc= -1.27 (180deg=-3.13!) USER MOD Single : B 6 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.12) USER MOD Single : B 9 CYS SG : rot 180:sc= -0.0489 USER MOD Single : B 11 ASN : amide:sc= -0.0602 K(o=-0.06,f=-0.57) USER MOD Single : B 13 ASN : amide:sc= -0.947! C(o=-0.95!,f=-0.84!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 14 16.693 12.768 -7.698 1.00 0.00 N ATOM 163 CA PRO A 14 15.675 12.435 -8.698 1.00 0.00 C ATOM 164 C PRO A 14 14.447 11.777 -8.079 1.00 0.00 C ATOM 165 O PRO A 14 14.530 11.162 -7.015 1.00 0.00 O ATOM 166 CB PRO A 14 16.397 11.454 -9.626 1.00 0.00 C ATOM 167 CG PRO A 14 17.461 10.846 -8.779 1.00 0.00 C ATOM 168 CD PRO A 14 17.891 11.920 -7.819 1.00 0.00 C ATOM 0 HA PRO A 14 15.296 13.323 -9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.714 10.696 -10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.822 11.966 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.084 9.974 -8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 14 18.300 10.509 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.188 11.503 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.744 12.481 -8.200 1.00 0.00 H new ATOM 176 N ASP A 15 13.308 11.909 -8.750 1.00 0.00 N ATOM 177 CA ASP A 15 12.063 11.325 -8.266 1.00 0.00 C ATOM 178 C ASP A 15 11.933 9.873 -8.714 1.00 0.00 C ATOM 179 O ASP A 15 10.926 9.218 -8.447 1.00 0.00 O ATOM 180 CB ASP A 15 10.866 12.136 -8.766 1.00 0.00 C ATOM 181 CG ASP A 15 10.793 13.512 -8.134 1.00 0.00 C ATOM 182 OD1 ASP A 15 11.751 14.295 -8.305 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.779 13.805 -7.468 1.00 0.00 O ATOM 0 H ASP A 15 13.221 12.416 -9.631 1.00 0.00 H new ATOM 0 HA ASP A 15 12.079 11.349 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.929 12.240 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.947 11.591 -8.551 1.00 0.00 H new ATOM 188 N ASN A 16 12.958 9.377 -9.399 1.00 0.00 N ATOM 189 CA ASN A 16 12.957 8.002 -9.887 1.00 0.00 C ATOM 190 C ASN A 16 13.989 7.160 -9.143 1.00 0.00 C ATOM 191 O ASN A 16 14.103 5.955 -9.369 1.00 0.00 O ATOM 192 CB ASN A 16 13.245 7.972 -11.389 1.00 0.00 C ATOM 193 CG ASN A 16 12.584 6.796 -12.081 1.00 0.00 C ATOM 194 OD1 ASN A 16 11.366 6.773 -12.263 1.00 0.00 O ATOM 195 ND2 ASN A 16 13.385 5.811 -12.471 1.00 0.00 N ATOM 0 H ASN A 16 13.799 9.906 -9.629 1.00 0.00 H new ATOM 0 HA ASN A 16 11.969 7.579 -9.705 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.895 8.900 -11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.322 7.925 -11.549 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.996 4.994 -12.942 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.389 5.872 -12.300 1.00 0.00 H new ATOM 202 N HIS A 17 14.739 7.804 -8.253 1.00 0.00 N ATOM 203 CA HIS A 17 15.762 7.114 -7.474 1.00 0.00 C ATOM 204 C HIS A 17 15.253 5.761 -6.988 1.00 0.00 C ATOM 205 O HIS A 17 14.154 5.641 -6.448 1.00 0.00 O ATOM 206 CB HIS A 17 16.188 7.971 -6.282 1.00 0.00 C ATOM 207 CG HIS A 17 17.643 7.852 -5.949 1.00 0.00 C ATOM 208 ND1 HIS A 17 18.146 6.882 -5.107 1.00 0.00 N ATOM 209 CD2 HIS A 17 18.707 8.587 -6.351 1.00 0.00 C ATOM 210 CE1 HIS A 17 19.455 7.027 -5.004 1.00 0.00 C ATOM 211 NE2 HIS A 17 19.821 8.055 -5.750 1.00 0.00 N ATOM 0 H HIS A 17 14.658 8.801 -8.054 1.00 0.00 H new ATOM 0 HA HIS A 17 16.625 6.947 -8.118 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.956 9.015 -6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.600 7.685 -5.410 1.00 0.00 H new ATOM 0 HD2 HIS A 17 18.684 9.434 -7.020 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.114 6.410 -4.411 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.775 8.397 -5.861 1.00 0.00 H new ATOM 220 N PRO A 18 16.071 4.716 -7.183 1.00 0.00 N ATOM 221 CA PRO A 18 15.725 3.352 -6.771 1.00 0.00 C ATOM 222 C PRO A 18 15.718 3.188 -5.255 1.00 0.00 C ATOM 223 O PRO A 18 14.927 2.421 -4.707 1.00 0.00 O ATOM 224 CB PRO A 18 16.834 2.501 -7.396 1.00 0.00 C ATOM 225 CG PRO A 18 17.988 3.431 -7.542 1.00 0.00 C ATOM 226 CD PRO A 18 17.397 4.785 -7.820 1.00 0.00 C ATOM 0 HA PRO A 18 14.722 3.072 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.087 1.652 -6.761 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.527 2.097 -8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.592 3.448 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.642 3.116 -8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.005 5.584 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.319 4.977 -8.890 1.00 0.00 H new ATOM 234 N THR A 19 16.605 3.915 -4.582 1.00 0.00 N ATOM 235 CA THR A 19 16.701 3.849 -3.129 1.00 0.00 C ATOM 236 C THR A 19 15.872 4.947 -2.473 1.00 0.00 C ATOM 237 O THR A 19 15.500 4.844 -1.304 1.00 0.00 O ATOM 238 CB THR A 19 18.162 3.974 -2.657 1.00 0.00 C ATOM 239 OG1 THR A 19 18.632 5.311 -2.864 1.00 0.00 O ATOM 240 CG2 THR A 19 19.057 2.996 -3.402 1.00 0.00 C ATOM 0 H THR A 19 17.267 4.556 -5.020 1.00 0.00 H new ATOM 0 HA THR A 19 16.312 2.876 -2.830 1.00 0.00 H new ATOM 0 HB THR A 19 18.198 3.738 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.055 5.763 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.084 3.103 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.715 1.977 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.015 3.206 -4.471 1.00 0.00 H new ATOM 248 N LYS A 20 15.583 5.998 -3.233 1.00 0.00 N ATOM 249 CA LYS A 20 14.794 7.115 -2.727 1.00 0.00 C ATOM 250 C LYS A 20 13.480 7.244 -3.491 1.00 0.00 C ATOM 251 O LYS A 20 13.453 7.155 -4.718 1.00 0.00 O ATOM 252 CB LYS A 20 15.590 8.418 -2.836 1.00 0.00 C ATOM 253 CG LYS A 20 16.327 8.789 -1.561 1.00 0.00 C ATOM 254 CD LYS A 20 17.701 8.141 -1.504 1.00 0.00 C ATOM 255 CE LYS A 20 18.733 9.077 -0.893 1.00 0.00 C ATOM 256 NZ LYS A 20 19.410 9.907 -1.927 1.00 0.00 N ATOM 0 H LYS A 20 15.884 6.100 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 20 14.566 6.921 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.311 8.327 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.911 9.228 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.432 9.872 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.740 8.478 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.648 7.224 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.014 7.859 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.248 9.728 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.477 8.493 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.106 10.531 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.895 9.287 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.703 10.483 -2.427 1.00 0.00 H new ATOM 270 N PHE A 21 12.393 7.455 -2.757 1.00 0.00 N ATOM 271 CA PHE A 21 11.075 7.597 -3.365 1.00 0.00 C ATOM 272 C PHE A 21 10.308 8.757 -2.737 1.00 0.00 C ATOM 273 O PHE A 21 10.032 8.757 -1.538 1.00 0.00 O ATOM 274 CB PHE A 21 10.277 6.301 -3.212 1.00 0.00 C ATOM 275 CG PHE A 21 10.986 5.093 -3.756 1.00 0.00 C ATOM 276 CD1 PHE A 21 11.830 4.347 -2.950 1.00 0.00 C ATOM 277 CD2 PHE A 21 10.807 4.704 -5.074 1.00 0.00 C ATOM 278 CE1 PHE A 21 12.483 3.235 -3.447 1.00 0.00 C ATOM 279 CE2 PHE A 21 11.457 3.593 -5.577 1.00 0.00 C ATOM 280 CZ PHE A 21 12.297 2.858 -4.762 1.00 0.00 C ATOM 0 H PHE A 21 12.398 7.532 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 21 11.213 7.808 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.060 6.140 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.320 6.411 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.980 4.638 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.152 5.275 -5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.138 2.662 -2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.309 3.299 -6.606 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.807 1.990 -5.153 1.00 0.00 H new ATOM 290 N LYS A 22 9.967 9.746 -3.557 1.00 0.00 N ATOM 291 CA LYS A 22 9.231 10.912 -3.085 1.00 0.00 C ATOM 292 C LYS A 22 7.733 10.631 -3.044 1.00 0.00 C ATOM 293 O LYS A 22 7.098 10.444 -4.083 1.00 0.00 O ATOM 294 CB LYS A 22 9.511 12.117 -3.987 1.00 0.00 C ATOM 295 CG LYS A 22 10.776 12.872 -3.618 1.00 0.00 C ATOM 296 CD LYS A 22 11.436 13.485 -4.842 1.00 0.00 C ATOM 297 CE LYS A 22 12.943 13.595 -4.666 1.00 0.00 C ATOM 298 NZ LYS A 22 13.613 12.270 -4.776 1.00 0.00 N ATOM 0 H LYS A 22 10.189 9.763 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 22 9.567 11.137 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.589 11.777 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.663 12.800 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.536 13.657 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.475 12.195 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.214 12.877 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.017 14.474 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.348 14.270 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.164 14.034 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.274 12.148 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.897 11.516 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.136 12.219 -5.673 1.00 0.00 H new ATOM 312 N VAL A 23 7.172 10.604 -1.839 1.00 0.00 N ATOM 313 CA VAL A 23 5.747 10.348 -1.665 1.00 0.00 C ATOM 314 C VAL A 23 5.008 11.616 -1.253 1.00 0.00 C ATOM 315 O VAL A 23 5.594 12.698 -1.189 1.00 0.00 O ATOM 316 CB VAL A 23 5.499 9.256 -0.607 1.00 0.00 C ATOM 317 CG1 VAL A 23 6.196 7.963 -1.001 1.00 0.00 C ATOM 318 CG2 VAL A 23 5.963 9.726 0.763 1.00 0.00 C ATOM 0 H VAL A 23 7.683 10.756 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 23 5.366 10.005 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 23 4.428 9.062 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.010 7.203 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.810 7.619 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.269 8.138 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.780 8.942 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.029 9.950 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.413 10.623 1.045 1.00 0.00 H new ATOM 328 N THR A 24 3.716 11.477 -0.973 1.00 0.00 N ATOM 329 CA THR A 24 2.895 12.611 -0.568 1.00 0.00 C ATOM 330 C THR A 24 1.644 12.148 0.170 1.00 0.00 C ATOM 331 O THR A 24 0.738 11.569 -0.427 1.00 0.00 O ATOM 332 CB THR A 24 2.476 13.463 -1.781 1.00 0.00 C ATOM 333 OG1 THR A 24 3.637 13.975 -2.444 1.00 0.00 O ATOM 334 CG2 THR A 24 1.582 14.616 -1.349 1.00 0.00 C ATOM 0 H THR A 24 3.215 10.589 -1.019 1.00 0.00 H new ATOM 0 HA THR A 24 3.504 13.219 0.101 1.00 0.00 H new ATOM 0 HB THR A 24 1.917 12.828 -2.468 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.420 13.864 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.299 15.204 -2.222 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.685 14.222 -0.871 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.120 15.250 -0.644 1.00 0.00 H new ATOM 342 N ASN A 25 1.601 12.408 1.473 1.00 0.00 N ATOM 343 CA ASN A 25 0.459 12.018 2.293 1.00 0.00 C ATOM 344 C ASN A 25 -0.842 12.556 1.705 1.00 0.00 C ATOM 345 O ASN A 25 -1.078 13.764 1.693 1.00 0.00 O ATOM 346 CB ASN A 25 0.635 12.529 3.724 1.00 0.00 C ATOM 347 CG ASN A 25 -0.682 12.621 4.471 1.00 0.00 C ATOM 348 OD1 ASN A 25 -1.024 13.668 5.022 1.00 0.00 O ATOM 349 ND2 ASN A 25 -1.427 11.523 4.493 1.00 0.00 N ATOM 0 H ASN A 25 2.343 12.887 1.983 1.00 0.00 H new ATOM 0 HA ASN A 25 0.408 10.929 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.310 11.865 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.106 13.512 3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.323 11.524 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.104 10.678 4.022 1.00 0.00 H new ATOM 356 N VAL A 26 -1.684 11.650 1.218 1.00 0.00 N ATOM 357 CA VAL A 26 -2.962 12.032 0.631 1.00 0.00 C ATOM 358 C VAL A 26 -4.128 11.455 1.427 1.00 0.00 C ATOM 359 O VAL A 26 -3.928 10.743 2.411 1.00 0.00 O ATOM 360 CB VAL A 26 -3.071 11.560 -0.832 1.00 0.00 C ATOM 361 CG1 VAL A 26 -1.955 12.164 -1.671 1.00 0.00 C ATOM 362 CG2 VAL A 26 -3.043 10.041 -0.905 1.00 0.00 C ATOM 0 H VAL A 26 -1.504 10.646 1.219 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.010 13.121 0.659 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.023 11.902 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.047 11.820 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.027 13.251 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.990 11.854 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.121 9.725 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.107 9.674 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.881 9.634 -0.339 1.00 0.00 H new ATOM 372 N ASP A 27 -5.344 11.767 0.994 1.00 0.00 N ATOM 373 CA ASP A 27 -6.543 11.278 1.666 1.00 0.00 C ATOM 374 C ASP A 27 -7.335 10.346 0.754 1.00 0.00 C ATOM 375 O ASP A 27 -6.903 10.032 -0.355 1.00 0.00 O ATOM 376 CB ASP A 27 -7.422 12.451 2.104 1.00 0.00 C ATOM 377 CG ASP A 27 -8.359 12.914 1.006 1.00 0.00 C ATOM 378 OD1 ASP A 27 -7.924 12.962 -0.163 1.00 0.00 O ATOM 379 OD2 ASP A 27 -9.526 13.231 1.317 1.00 0.00 O ATOM 0 H ASP A 27 -5.526 12.356 0.181 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.233 10.717 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.006 12.158 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.787 13.282 2.410 1.00 0.00 H new ATOM 384 N ASP A 28 -8.495 9.907 1.229 1.00 0.00 N ATOM 385 CA ASP A 28 -9.348 9.011 0.457 1.00 0.00 C ATOM 386 C ASP A 28 -9.547 9.537 -0.961 1.00 0.00 C ATOM 387 O ASP A 28 -9.389 8.801 -1.934 1.00 0.00 O ATOM 388 CB ASP A 28 -10.702 8.841 1.147 1.00 0.00 C ATOM 389 CG ASP A 28 -10.707 7.695 2.139 1.00 0.00 C ATOM 390 OD1 ASP A 28 -10.656 6.527 1.698 1.00 0.00 O ATOM 391 OD2 ASP A 28 -10.761 7.965 3.357 1.00 0.00 O ATOM 0 H ASP A 28 -8.867 10.157 2.145 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.855 8.041 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.962 9.765 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.471 8.669 0.394 1.00 0.00 H new ATOM 396 N GLU A 29 -9.896 10.816 -1.068 1.00 0.00 N ATOM 397 CA GLU A 29 -10.118 11.440 -2.367 1.00 0.00 C ATOM 398 C GLU A 29 -8.853 11.389 -3.219 1.00 0.00 C ATOM 399 O GLU A 29 -8.914 11.173 -4.428 1.00 0.00 O ATOM 400 CB GLU A 29 -10.570 12.891 -2.190 1.00 0.00 C ATOM 401 CG GLU A 29 -11.707 13.058 -1.196 1.00 0.00 C ATOM 402 CD GLU A 29 -12.585 14.254 -1.510 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.560 14.092 -2.273 1.00 0.00 O ATOM 404 OE2 GLU A 29 -12.296 15.353 -0.991 1.00 0.00 O ATOM 0 H GLU A 29 -10.031 11.439 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.902 10.883 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.721 13.490 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.883 13.286 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.317 12.155 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.295 13.168 -0.193 1.00 0.00 H new ATOM 411 N GLY A 30 -7.706 11.592 -2.577 1.00 0.00 N ATOM 412 CA GLY A 30 -6.443 11.567 -3.291 1.00 0.00 C ATOM 413 C GLY A 30 -5.732 12.905 -3.258 1.00 0.00 C ATOM 414 O GLY A 30 -4.699 13.083 -3.904 1.00 0.00 O ATOM 0 H GLY A 30 -7.629 11.773 -1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.797 10.805 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.621 11.279 -4.327 1.00 0.00 H new ATOM 418 N VAL A 31 -6.286 13.849 -2.504 1.00 0.00 N ATOM 419 CA VAL A 31 -5.698 15.179 -2.390 1.00 0.00 C ATOM 420 C VAL A 31 -4.312 15.115 -1.757 1.00 0.00 C ATOM 421 O VAL A 31 -3.939 14.107 -1.159 1.00 0.00 O ATOM 422 CB VAL A 31 -6.589 16.117 -1.554 1.00 0.00 C ATOM 423 CG1 VAL A 31 -8.002 16.153 -2.117 1.00 0.00 C ATOM 424 CG2 VAL A 31 -6.599 15.683 -0.096 1.00 0.00 C ATOM 0 H VAL A 31 -7.141 13.718 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.614 15.576 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.176 17.124 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.617 16.821 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.975 16.514 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.428 15.150 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.233 16.357 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.987 14.667 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.584 15.714 0.300 1.00 0.00 H new ATOM 434 N GLU A 32 -3.555 16.199 -1.894 1.00 0.00 N ATOM 435 CA GLU A 32 -2.210 16.265 -1.335 1.00 0.00 C ATOM 436 C GLU A 32 -2.203 17.045 -0.023 1.00 0.00 C ATOM 437 O GLU A 32 -2.309 18.272 -0.017 1.00 0.00 O ATOM 438 CB GLU A 32 -1.250 16.917 -2.333 1.00 0.00 C ATOM 439 CG GLU A 32 -1.121 16.153 -3.640 1.00 0.00 C ATOM 440 CD GLU A 32 0.123 16.537 -4.419 1.00 0.00 C ATOM 441 OE1 GLU A 32 0.073 17.540 -5.160 1.00 0.00 O ATOM 442 OE2 GLU A 32 1.146 15.833 -4.286 1.00 0.00 O ATOM 0 H GLU A 32 -3.850 17.042 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.878 15.246 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.593 17.930 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.265 17.004 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.099 15.083 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.002 16.339 -4.254 1.00 0.00 H new ATOM 449 N LEU A 33 -2.080 16.324 1.086 1.00 0.00 N ATOM 450 CA LEU A 33 -2.060 16.947 2.405 1.00 0.00 C ATOM 451 C LEU A 33 -0.645 17.372 2.785 1.00 0.00 C ATOM 452 O LEU A 33 -0.381 18.551 3.015 1.00 0.00 O ATOM 453 CB LEU A 33 -2.614 15.982 3.455 1.00 0.00 C ATOM 454 CG LEU A 33 -3.870 15.206 3.056 1.00 0.00 C ATOM 455 CD1 LEU A 33 -4.161 14.108 4.067 1.00 0.00 C ATOM 456 CD2 LEU A 33 -5.060 16.146 2.929 1.00 0.00 C ATOM 0 H LEU A 33 -1.993 15.308 1.098 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.690 17.836 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.833 15.265 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.833 16.548 4.360 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.695 14.742 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.058 13.566 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.318 13.419 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.316 14.551 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.945 15.577 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.238 16.639 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.851 16.897 2.167 1.00 0.00 H new ATOM 468 N GLY A 34 0.262 16.402 2.847 1.00 0.00 N ATOM 469 CA GLY A 34 1.640 16.697 3.198 1.00 0.00 C ATOM 470 C GLY A 34 2.631 15.933 2.343 1.00 0.00 C ATOM 471 O GLY A 34 2.527 14.715 2.197 1.00 0.00 O ATOM 0 H GLY A 34 0.068 15.418 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.819 17.767 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.805 16.452 4.247 1.00 0.00 H new ATOM 475 N SER A 35 3.595 16.649 1.774 1.00 0.00 N ATOM 476 CA SER A 35 4.607 16.032 0.924 1.00 0.00 C ATOM 477 C SER A 35 5.747 15.463 1.763 1.00 0.00 C ATOM 478 O SER A 35 6.152 16.053 2.763 1.00 0.00 O ATOM 479 CB SER A 35 5.154 17.052 -0.076 1.00 0.00 C ATOM 480 OG SER A 35 5.567 18.238 0.579 1.00 0.00 O ATOM 0 H SER A 35 3.697 17.658 1.886 1.00 0.00 H new ATOM 0 HA SER A 35 4.138 15.214 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.996 16.620 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.388 17.289 -0.814 1.00 0.00 H new ATOM 0 HG SER A 35 5.914 18.873 -0.082 1.00 0.00 H new ATOM 486 N GLY A 36 6.262 14.310 1.346 1.00 0.00 N ATOM 487 CA GLY A 36 7.350 13.679 2.069 1.00 0.00 C ATOM 488 C GLY A 36 8.139 12.715 1.205 1.00 0.00 C ATOM 489 O GLY A 36 7.728 12.391 0.090 1.00 0.00 O ATOM 0 H GLY A 36 5.945 13.802 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.020 14.448 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.948 13.145 2.930 1.00 0.00 H new ATOM 493 N VAL A 37 9.276 12.256 1.718 1.00 0.00 N ATOM 494 CA VAL A 37 10.125 11.324 0.985 1.00 0.00 C ATOM 495 C VAL A 37 10.309 10.024 1.759 1.00 0.00 C ATOM 496 O VAL A 37 10.801 10.026 2.887 1.00 0.00 O ATOM 497 CB VAL A 37 11.508 11.936 0.693 1.00 0.00 C ATOM 498 CG1 VAL A 37 12.360 10.968 -0.115 1.00 0.00 C ATOM 499 CG2 VAL A 37 11.360 13.264 -0.034 1.00 0.00 C ATOM 0 H VAL A 37 9.631 12.514 2.639 1.00 0.00 H new ATOM 0 HA VAL A 37 9.623 11.113 0.041 1.00 0.00 H new ATOM 0 HB VAL A 37 12.012 12.122 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.333 11.417 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.494 10.044 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.864 10.748 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.347 13.682 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.837 13.106 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.790 13.957 0.586 1.00 0.00 H new ATOM 509 N MET A 38 9.911 8.915 1.145 1.00 0.00 N ATOM 510 CA MET A 38 10.034 7.606 1.776 1.00 0.00 C ATOM 511 C MET A 38 11.363 6.950 1.413 1.00 0.00 C ATOM 512 O MET A 38 11.745 6.907 0.245 1.00 0.00 O ATOM 513 CB MET A 38 8.874 6.702 1.355 1.00 0.00 C ATOM 514 CG MET A 38 8.799 5.404 2.143 1.00 0.00 C ATOM 515 SD MET A 38 8.218 5.650 3.833 1.00 0.00 S ATOM 516 CE MET A 38 6.447 5.722 3.575 1.00 0.00 C ATOM 0 H MET A 38 9.501 8.896 0.211 1.00 0.00 H new ATOM 0 HA MET A 38 10.002 7.747 2.856 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.937 7.246 1.477 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.972 6.469 0.295 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.132 4.711 1.631 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.785 4.940 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 38 5.957 6.029 4.499 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.223 6.443 2.789 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.082 4.738 3.280 1.00 0.00 H new ATOM 526 N GLU A 39 12.062 6.442 2.423 1.00 0.00 N ATOM 527 CA GLU A 39 13.349 5.790 2.209 1.00 0.00 C ATOM 528 C GLU A 39 13.296 4.327 2.641 1.00 0.00 C ATOM 529 O GLU A 39 12.844 4.009 3.742 1.00 0.00 O ATOM 530 CB GLU A 39 14.451 6.521 2.978 1.00 0.00 C ATOM 531 CG GLU A 39 15.828 6.377 2.352 1.00 0.00 C ATOM 532 CD GLU A 39 16.844 7.328 2.955 1.00 0.00 C ATOM 533 OE1 GLU A 39 16.478 8.081 3.880 1.00 0.00 O ATOM 534 OE2 GLU A 39 18.007 7.318 2.499 1.00 0.00 O ATOM 0 H GLU A 39 11.759 6.469 3.397 1.00 0.00 H new ATOM 0 HA GLU A 39 13.574 5.828 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.198 7.579 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.484 6.141 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.175 5.352 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.757 6.559 1.280 1.00 0.00 H new ATOM 541 N LEU A 40 13.761 3.441 1.767 1.00 0.00 N ATOM 542 CA LEU A 40 13.767 2.011 2.057 1.00 0.00 C ATOM 543 C LEU A 40 15.155 1.549 2.488 1.00 0.00 C ATOM 544 O LEU A 40 16.020 1.278 1.654 1.00 0.00 O ATOM 545 CB LEU A 40 13.313 1.220 0.829 1.00 0.00 C ATOM 546 CG LEU A 40 11.809 0.969 0.711 1.00 0.00 C ATOM 547 CD1 LEU A 40 11.097 2.219 0.217 1.00 0.00 C ATOM 548 CD2 LEU A 40 11.536 -0.205 -0.217 1.00 0.00 C ATOM 0 H LEU A 40 14.139 3.687 0.852 1.00 0.00 H new ATOM 0 HA LEU A 40 13.072 1.829 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.644 1.752 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.823 0.257 0.833 1.00 0.00 H new ATOM 0 HG LEU A 40 11.422 0.722 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.028 2.022 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.265 3.035 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.487 2.497 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.461 -0.369 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.937 0.013 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.014 -1.101 0.179 1.00 0.00 H new ATOM 560 N THR A 41 15.363 1.459 3.799 1.00 0.00 N ATOM 561 CA THR A 41 16.645 1.029 4.342 1.00 0.00 C ATOM 562 C THR A 41 16.521 -0.319 5.043 1.00 0.00 C ATOM 563 O THR A 41 15.557 -0.565 5.767 1.00 0.00 O ATOM 564 CB THR A 41 17.209 2.061 5.336 1.00 0.00 C ATOM 565 OG1 THR A 41 16.256 2.313 6.374 1.00 0.00 O ATOM 566 CG2 THR A 41 17.551 3.364 4.627 1.00 0.00 C ATOM 0 H THR A 41 14.659 1.679 4.504 1.00 0.00 H new ATOM 0 HA THR A 41 17.330 0.936 3.499 1.00 0.00 H new ATOM 0 HB THR A 41 18.121 1.652 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.421 1.841 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.948 4.078 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 41 18.298 3.174 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.652 3.775 4.167 1.00 0.00 H new ATOM 574 N GLN A 42 17.502 -1.188 4.822 1.00 0.00 N ATOM 575 CA GLN A 42 17.501 -2.512 5.434 1.00 0.00 C ATOM 576 C GLN A 42 16.890 -2.466 6.830 1.00 0.00 C ATOM 577 O GLN A 42 16.187 -3.389 7.242 1.00 0.00 O ATOM 578 CB GLN A 42 18.925 -3.065 5.505 1.00 0.00 C ATOM 579 CG GLN A 42 19.450 -3.568 4.170 1.00 0.00 C ATOM 580 CD GLN A 42 20.129 -2.479 3.363 1.00 0.00 C ATOM 581 OE1 GLN A 42 20.318 -1.360 3.842 1.00 0.00 O ATOM 582 NE2 GLN A 42 20.501 -2.801 2.130 1.00 0.00 N ATOM 0 H GLN A 42 18.307 -1.000 4.224 1.00 0.00 H new ATOM 0 HA GLN A 42 16.894 -3.171 4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.590 -2.286 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.953 -3.880 6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 42 20.156 -4.380 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 42 18.624 -3.982 3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 42 20.325 -3.740 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.963 -2.109 1.540 1.00 0.00 H new ATOM 591 N SER A 43 17.163 -1.385 7.555 1.00 0.00 N ATOM 592 CA SER A 43 16.643 -1.221 8.907 1.00 0.00 C ATOM 593 C SER A 43 15.118 -1.179 8.902 1.00 0.00 C ATOM 594 O SER A 43 14.460 -2.085 9.412 1.00 0.00 O ATOM 595 CB SER A 43 17.198 0.058 9.538 1.00 0.00 C ATOM 596 OG SER A 43 18.563 -0.094 9.884 1.00 0.00 O ATOM 0 H SER A 43 17.741 -0.611 7.228 1.00 0.00 H new ATOM 0 HA SER A 43 16.963 -2.078 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.087 0.889 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.620 0.309 10.428 1.00 0.00 H new ATOM 0 HG SER A 43 18.894 0.738 10.283 1.00 0.00 H new ATOM 602 N GLU A 44 14.563 -0.119 8.322 1.00 0.00 N ATOM 603 CA GLU A 44 13.116 0.042 8.251 1.00 0.00 C ATOM 604 C GLU A 44 12.743 1.226 7.363 1.00 0.00 C ATOM 605 O GLU A 44 13.608 1.852 6.748 1.00 0.00 O ATOM 606 CB GLU A 44 12.533 0.238 9.652 1.00 0.00 C ATOM 607 CG GLU A 44 13.382 1.126 10.546 1.00 0.00 C ATOM 608 CD GLU A 44 13.253 0.770 12.014 1.00 0.00 C ATOM 609 OE1 GLU A 44 12.110 0.580 12.480 1.00 0.00 O ATOM 610 OE2 GLU A 44 14.294 0.681 12.698 1.00 0.00 O ATOM 0 H GLU A 44 15.094 0.640 7.895 1.00 0.00 H new ATOM 0 HA GLU A 44 12.697 -0.864 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.537 0.672 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.416 -0.736 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.427 1.044 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.090 2.166 10.401 1.00 0.00 H new ATOM 617 N LEU A 45 11.451 1.528 7.301 1.00 0.00 N ATOM 618 CA LEU A 45 10.962 2.636 6.489 1.00 0.00 C ATOM 619 C LEU A 45 10.974 3.939 7.281 1.00 0.00 C ATOM 620 O LEU A 45 10.531 3.984 8.429 1.00 0.00 O ATOM 621 CB LEU A 45 9.546 2.342 5.990 1.00 0.00 C ATOM 622 CG LEU A 45 9.444 1.494 4.722 1.00 0.00 C ATOM 623 CD1 LEU A 45 8.047 0.909 4.582 1.00 0.00 C ATOM 624 CD2 LEU A 45 9.803 2.321 3.496 1.00 0.00 C ATOM 0 H LEU A 45 10.723 1.021 7.804 1.00 0.00 H new ATOM 0 HA LEU A 45 11.627 2.747 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.999 1.836 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.041 3.291 5.810 1.00 0.00 H new ATOM 0 HG LEU A 45 10.154 0.671 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.993 0.309 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.827 0.281 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.318 1.717 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.725 1.701 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.118 3.165 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.824 2.691 3.593 1.00 0.00 H new ATOM 636 N VAL A 46 11.482 4.999 6.660 1.00 0.00 N ATOM 637 CA VAL A 46 11.549 6.304 7.306 1.00 0.00 C ATOM 638 C VAL A 46 11.065 7.406 6.370 1.00 0.00 C ATOM 639 O VAL A 46 11.383 7.409 5.180 1.00 0.00 O ATOM 640 CB VAL A 46 12.982 6.630 7.766 1.00 0.00 C ATOM 641 CG1 VAL A 46 13.039 8.014 8.396 1.00 0.00 C ATOM 642 CG2 VAL A 46 13.483 5.572 8.738 1.00 0.00 C ATOM 0 H VAL A 46 11.853 4.979 5.710 1.00 0.00 H new ATOM 0 HA VAL A 46 10.897 6.259 8.178 1.00 0.00 H new ATOM 0 HB VAL A 46 13.635 6.627 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.059 8.227 8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.724 8.759 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.374 8.048 9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.497 5.818 9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.830 5.541 9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.481 4.598 8.248 1.00 0.00 H new ATOM 652 N LEU A 47 10.294 8.341 6.915 1.00 0.00 N ATOM 653 CA LEU A 47 9.766 9.450 6.128 1.00 0.00 C ATOM 654 C LEU A 47 10.582 10.718 6.357 1.00 0.00 C ATOM 655 O LEU A 47 11.300 10.836 7.351 1.00 0.00 O ATOM 656 CB LEU A 47 8.300 9.703 6.487 1.00 0.00 C ATOM 657 CG LEU A 47 7.269 8.871 5.723 1.00 0.00 C ATOM 658 CD1 LEU A 47 5.864 9.180 6.215 1.00 0.00 C ATOM 659 CD2 LEU A 47 7.381 9.127 4.227 1.00 0.00 C ATOM 0 H LEU A 47 10.021 8.353 7.898 1.00 0.00 H new ATOM 0 HA LEU A 47 9.836 9.180 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.170 9.516 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.082 10.758 6.319 1.00 0.00 H new ATOM 0 HG LEU A 47 7.472 7.816 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.144 8.579 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.791 8.946 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.649 10.237 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.640 8.527 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.204 10.183 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.379 8.854 3.885 1.00 0.00 H new ATOM 671 N HIS A 48 10.467 11.665 5.432 1.00 0.00 N ATOM 672 CA HIS A 48 11.193 12.926 5.534 1.00 0.00 C ATOM 673 C HIS A 48 10.254 14.111 5.328 1.00 0.00 C ATOM 674 O HIS A 48 9.794 14.366 4.214 1.00 0.00 O ATOM 675 CB HIS A 48 12.325 12.972 4.507 1.00 0.00 C ATOM 676 CG HIS A 48 13.402 11.963 4.758 1.00 0.00 C ATOM 677 ND1 HIS A 48 14.287 12.052 5.811 1.00 0.00 N ATOM 678 CD2 HIS A 48 13.733 10.836 4.085 1.00 0.00 C ATOM 679 CE1 HIS A 48 15.117 11.025 5.774 1.00 0.00 C ATOM 680 NE2 HIS A 48 14.802 10.272 4.736 1.00 0.00 N ATOM 0 H HIS A 48 9.878 11.583 4.603 1.00 0.00 H new ATOM 0 HA HIS A 48 11.619 12.992 6.535 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.909 12.808 3.513 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.765 13.969 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 48 13.247 10.452 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 48 15.917 10.834 6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 48 15.276 9.411 4.462 1.00 0.00 H new ATOM 689 N LEU A 49 9.974 14.832 6.407 1.00 0.00 N ATOM 690 CA LEU A 49 9.089 15.991 6.345 1.00 0.00 C ATOM 691 C LEU A 49 9.788 17.239 6.876 1.00 0.00 C ATOM 692 O LEU A 49 10.971 17.203 7.218 1.00 0.00 O ATOM 693 CB LEU A 49 7.814 15.727 7.147 1.00 0.00 C ATOM 694 CG LEU A 49 6.751 14.872 6.456 1.00 0.00 C ATOM 695 CD1 LEU A 49 7.028 13.393 6.679 1.00 0.00 C ATOM 696 CD2 LEU A 49 5.362 15.238 6.958 1.00 0.00 C ATOM 0 H LEU A 49 10.347 14.635 7.336 1.00 0.00 H new ATOM 0 HA LEU A 49 8.826 16.161 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.091 15.241 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.367 16.687 7.407 1.00 0.00 H new ATOM 0 HG LEU A 49 6.792 15.071 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.261 12.800 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.006 13.140 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.015 13.177 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.619 14.619 6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.307 15.069 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.163 16.289 6.746 1.00 0.00 H new ATOM 789 N ALA A 54 10.202 13.380 11.902 1.00 0.00 N ATOM 790 CA ALA A 54 10.477 12.208 11.080 1.00 0.00 C ATOM 791 C ALA A 54 9.758 10.977 11.621 1.00 0.00 C ATOM 792 O ALA A 54 9.800 10.699 12.819 1.00 0.00 O ATOM 793 CB ALA A 54 11.975 11.956 11.003 1.00 0.00 C ATOM 0 HA ALA A 54 10.101 12.404 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.165 11.078 10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.468 12.823 10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.367 11.787 12.006 1.00 0.00 H new ATOM 799 N VAL A 55 9.099 10.243 10.730 1.00 0.00 N ATOM 800 CA VAL A 55 8.371 9.041 11.119 1.00 0.00 C ATOM 801 C VAL A 55 9.085 7.785 10.633 1.00 0.00 C ATOM 802 O VAL A 55 9.782 7.808 9.618 1.00 0.00 O ATOM 803 CB VAL A 55 6.935 9.050 10.562 1.00 0.00 C ATOM 804 CG1 VAL A 55 6.131 7.895 11.141 1.00 0.00 C ATOM 805 CG2 VAL A 55 6.259 10.381 10.855 1.00 0.00 C ATOM 0 H VAL A 55 9.054 10.460 9.734 1.00 0.00 H new ATOM 0 HA VAL A 55 8.330 9.034 12.208 1.00 0.00 H new ATOM 0 HB VAL A 55 6.982 8.923 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.119 7.917 10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.607 6.951 10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.090 7.988 12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.245 10.370 10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.222 10.541 11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.825 11.187 10.388 1.00 0.00 H new ATOM 815 N ARG A 56 8.907 6.689 11.363 1.00 0.00 N ATOM 816 CA ARG A 56 9.535 5.423 11.007 1.00 0.00 C ATOM 817 C ARG A 56 8.574 4.258 11.228 1.00 0.00 C ATOM 818 O ARG A 56 7.592 4.381 11.961 1.00 0.00 O ATOM 819 CB ARG A 56 10.807 5.211 11.829 1.00 0.00 C ATOM 820 CG ARG A 56 11.569 6.495 12.114 1.00 0.00 C ATOM 821 CD ARG A 56 12.454 6.357 13.344 1.00 0.00 C ATOM 822 NE ARG A 56 13.421 5.272 13.203 1.00 0.00 N ATOM 823 CZ ARG A 56 14.212 4.860 14.188 1.00 0.00 C ATOM 824 NH1 ARG A 56 14.150 5.440 15.379 1.00 0.00 N ATOM 825 NH2 ARG A 56 15.066 3.866 13.983 1.00 0.00 N ATOM 0 H ARG A 56 8.333 6.653 12.205 1.00 0.00 H new ATOM 0 HA ARG A 56 9.796 5.461 9.949 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.544 4.737 12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.462 4.520 11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.182 6.755 11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.864 7.313 12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.983 7.294 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.831 6.176 14.220 1.00 0.00 H new ATOM 0 HE ARG A 56 13.493 4.805 12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.494 6.204 15.541 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.758 5.122 16.133 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.116 3.417 13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.673 3.551 14.740 1.00 0.00 H new ATOM 839 N TRP A 57 8.864 3.130 10.590 1.00 0.00 N ATOM 840 CA TRP A 57 8.025 1.944 10.717 1.00 0.00 C ATOM 841 C TRP A 57 8.844 0.674 10.515 1.00 0.00 C ATOM 842 O TRP A 57 9.362 0.406 9.431 1.00 0.00 O ATOM 843 CB TRP A 57 6.880 1.993 9.703 1.00 0.00 C ATOM 844 CG TRP A 57 5.826 3.002 10.047 1.00 0.00 C ATOM 845 CD1 TRP A 57 4.874 2.893 11.020 1.00 0.00 C ATOM 846 CD2 TRP A 57 5.617 4.271 9.418 1.00 0.00 C ATOM 847 NE1 TRP A 57 4.085 4.018 11.033 1.00 0.00 N ATOM 848 CE2 TRP A 57 4.521 4.879 10.061 1.00 0.00 C ATOM 849 CE3 TRP A 57 6.250 4.953 8.375 1.00 0.00 C ATOM 850 CZ2 TRP A 57 4.046 6.135 9.693 1.00 0.00 C ATOM 851 CZ3 TRP A 57 5.777 6.200 8.012 1.00 0.00 C ATOM 852 CH2 TRP A 57 4.685 6.781 8.669 1.00 0.00 C ATOM 0 H TRP A 57 9.673 3.012 9.980 1.00 0.00 H new ATOM 0 HA TRP A 57 7.609 1.930 11.724 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.286 2.223 8.718 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.421 1.007 9.636 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.758 2.047 11.682 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.301 4.185 11.664 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.093 4.514 7.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.203 6.584 10.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.258 6.736 7.207 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.340 7.757 8.362 1.00 0.00 H new ATOM 863 N PRO A 58 8.966 -0.129 11.583 1.00 0.00 N ATOM 864 CA PRO A 58 9.721 -1.385 11.547 1.00 0.00 C ATOM 865 C PRO A 58 9.033 -2.451 10.701 1.00 0.00 C ATOM 866 O PRO A 58 7.878 -2.801 10.945 1.00 0.00 O ATOM 867 CB PRO A 58 9.766 -1.814 13.015 1.00 0.00 C ATOM 868 CG PRO A 58 8.570 -1.175 13.633 1.00 0.00 C ATOM 869 CD PRO A 58 8.375 0.127 12.907 1.00 0.00 C ATOM 0 HA PRO A 58 10.705 -1.256 11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.730 -2.899 13.112 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.686 -1.482 13.497 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.692 -1.813 13.534 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.724 -1.008 14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.320 0.391 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.874 0.951 13.418 1.00 0.00 H new ATOM 877 N TYR A 59 9.749 -2.964 9.707 1.00 0.00 N ATOM 878 CA TYR A 59 9.207 -3.989 8.824 1.00 0.00 C ATOM 879 C TYR A 59 8.366 -4.993 9.606 1.00 0.00 C ATOM 880 O TYR A 59 7.462 -5.626 9.058 1.00 0.00 O ATOM 881 CB TYR A 59 10.338 -4.714 8.093 1.00 0.00 C ATOM 882 CG TYR A 59 11.084 -3.839 7.112 1.00 0.00 C ATOM 883 CD1 TYR A 59 10.404 -2.959 6.280 1.00 0.00 C ATOM 884 CD2 TYR A 59 12.469 -3.892 7.017 1.00 0.00 C ATOM 885 CE1 TYR A 59 11.082 -2.158 5.381 1.00 0.00 C ATOM 886 CE2 TYR A 59 13.155 -3.094 6.122 1.00 0.00 C ATOM 887 CZ TYR A 59 12.457 -2.229 5.306 1.00 0.00 C ATOM 888 OH TYR A 59 13.136 -1.432 4.413 1.00 0.00 O ATOM 0 H TYR A 59 10.707 -2.686 9.493 1.00 0.00 H new ATOM 0 HA TYR A 59 8.566 -3.498 8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 59 11.043 -5.104 8.828 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.925 -5.571 7.561 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.327 -2.900 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.019 -4.569 7.654 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.538 -1.480 4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.232 -3.147 6.062 1.00 0.00 H new ATOM 0 HH TYR A 59 13.965 -1.111 4.825 1.00 0.00 H new ATOM 898 N LEU A 60 8.669 -5.134 10.892 1.00 0.00 N ATOM 899 CA LEU A 60 7.942 -6.060 11.753 1.00 0.00 C ATOM 900 C LEU A 60 6.495 -5.613 11.935 1.00 0.00 C ATOM 901 O LEU A 60 5.565 -6.289 11.494 1.00 0.00 O ATOM 902 CB LEU A 60 8.630 -6.169 13.115 1.00 0.00 C ATOM 903 CG LEU A 60 9.671 -7.280 13.254 1.00 0.00 C ATOM 904 CD1 LEU A 60 10.773 -6.861 14.215 1.00 0.00 C ATOM 905 CD2 LEU A 60 9.015 -8.570 13.723 1.00 0.00 C ATOM 0 H LEU A 60 9.414 -4.619 11.361 1.00 0.00 H new ATOM 0 HA LEU A 60 7.943 -7.039 11.274 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.113 -5.217 13.333 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.864 -6.319 13.876 1.00 0.00 H new ATOM 0 HG LEU A 60 10.118 -7.458 12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.505 -7.664 14.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.262 -5.963 13.838 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.342 -6.655 15.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.771 -9.350 13.816 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.541 -8.406 14.691 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.262 -8.880 12.998 1.00 0.00 H new ATOM 917 N CYS A 61 6.313 -4.469 12.585 1.00 0.00 N ATOM 918 CA CYS A 61 4.979 -3.929 12.825 1.00 0.00 C ATOM 919 C CYS A 61 4.119 -4.029 11.569 1.00 0.00 C ATOM 920 O CYS A 61 2.926 -4.329 11.643 1.00 0.00 O ATOM 921 CB CYS A 61 5.070 -2.473 13.281 1.00 0.00 C ATOM 922 SG CYS A 61 5.582 -2.269 15.003 1.00 0.00 S ATOM 0 H CYS A 61 7.072 -3.897 12.955 1.00 0.00 H new ATOM 0 HA CYS A 61 4.511 -4.519 13.612 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.775 -1.946 12.639 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.098 -1.999 13.144 1.00 0.00 H new ATOM 0 HG CYS A 61 5.632 -1.003 15.294 1.00 0.00 H new ATOM 928 N LEU A 62 4.731 -3.775 10.418 1.00 0.00 N ATOM 929 CA LEU A 62 4.021 -3.834 9.145 1.00 0.00 C ATOM 930 C LEU A 62 3.250 -5.144 9.011 1.00 0.00 C ATOM 931 O LEU A 62 3.845 -6.217 8.908 1.00 0.00 O ATOM 932 CB LEU A 62 5.004 -3.687 7.982 1.00 0.00 C ATOM 933 CG LEU A 62 5.549 -2.279 7.738 1.00 0.00 C ATOM 934 CD1 LEU A 62 6.672 -2.312 6.714 1.00 0.00 C ATOM 935 CD2 LEU A 62 4.435 -1.348 7.282 1.00 0.00 C ATOM 0 H LEU A 62 5.717 -3.526 10.340 1.00 0.00 H new ATOM 0 HA LEU A 62 3.308 -3.010 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.847 -4.356 8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.512 -4.027 7.071 1.00 0.00 H new ATOM 0 HG LEU A 62 5.952 -1.898 8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.047 -1.301 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.480 -2.945 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.295 -2.713 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.841 -0.351 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.002 -1.725 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.663 -1.300 8.050 1.00 0.00 H new ATOM 947 N ARG A 63 1.925 -5.048 9.012 1.00 0.00 N ATOM 948 CA ARG A 63 1.074 -6.225 8.890 1.00 0.00 C ATOM 949 C ARG A 63 0.649 -6.441 7.440 1.00 0.00 C ATOM 950 O ARG A 63 0.471 -7.576 6.998 1.00 0.00 O ATOM 951 CB ARG A 63 -0.163 -6.080 9.779 1.00 0.00 C ATOM 952 CG ARG A 63 0.115 -6.323 11.253 1.00 0.00 C ATOM 953 CD ARG A 63 -1.144 -6.163 12.091 1.00 0.00 C ATOM 954 NE ARG A 63 -0.979 -6.706 13.437 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.855 -6.519 14.417 1.00 0.00 C ATOM 956 NH1 ARG A 63 -2.953 -5.807 14.203 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.635 -7.046 15.615 1.00 0.00 N ATOM 0 H ARG A 63 1.417 -4.167 9.096 1.00 0.00 H new ATOM 0 HA ARG A 63 1.648 -7.093 9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.573 -5.078 9.656 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.927 -6.781 9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.518 -7.327 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.876 -5.625 11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.404 -5.107 12.156 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.975 -6.666 11.597 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.145 -7.259 13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.127 -5.401 13.283 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.624 -5.665 14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.792 -7.595 15.784 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.309 -6.902 16.367 1.00 0.00 H new ATOM 971 N ARG A 64 0.487 -5.345 6.707 1.00 0.00 N ATOM 972 CA ARG A 64 0.082 -5.414 5.308 1.00 0.00 C ATOM 973 C ARG A 64 0.676 -4.256 4.512 1.00 0.00 C ATOM 974 O ARG A 64 0.583 -3.097 4.918 1.00 0.00 O ATOM 975 CB ARG A 64 -1.444 -5.395 5.196 1.00 0.00 C ATOM 976 CG ARG A 64 -1.948 -5.299 3.765 1.00 0.00 C ATOM 977 CD ARG A 64 -3.393 -4.828 3.714 1.00 0.00 C ATOM 978 NE ARG A 64 -4.081 -5.304 2.517 1.00 0.00 N ATOM 979 CZ ARG A 64 -5.403 -5.312 2.384 1.00 0.00 C ATOM 980 NH1 ARG A 64 -6.175 -4.872 3.368 1.00 0.00 N ATOM 981 NH2 ARG A 64 -5.955 -5.760 1.263 1.00 0.00 N ATOM 0 H ARG A 64 0.630 -4.398 7.058 1.00 0.00 H new ATOM 0 HA ARG A 64 0.459 -6.348 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.845 -6.299 5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.831 -4.551 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.319 -4.609 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.864 -6.273 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.921 -5.181 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.420 -3.739 3.739 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.516 -5.649 1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.754 -4.526 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.190 -4.880 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.364 -6.098 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.970 -5.766 1.161 1.00 0.00 H new ATOM 995 N TYR A 65 1.286 -4.577 3.377 1.00 0.00 N ATOM 996 CA TYR A 65 1.898 -3.564 2.525 1.00 0.00 C ATOM 997 C TYR A 65 1.722 -3.914 1.050 1.00 0.00 C ATOM 998 O TYR A 65 2.345 -4.846 0.543 1.00 0.00 O ATOM 999 CB TYR A 65 3.385 -3.423 2.853 1.00 0.00 C ATOM 1000 CG TYR A 65 4.174 -4.696 2.648 1.00 0.00 C ATOM 1001 CD1 TYR A 65 4.765 -4.982 1.424 1.00 0.00 C ATOM 1002 CD2 TYR A 65 4.330 -5.614 3.680 1.00 0.00 C ATOM 1003 CE1 TYR A 65 5.486 -6.144 1.232 1.00 0.00 C ATOM 1004 CE2 TYR A 65 5.050 -6.778 3.498 1.00 0.00 C ATOM 1005 CZ TYR A 65 5.626 -7.039 2.273 1.00 0.00 C ATOM 1006 OH TYR A 65 6.345 -8.198 2.086 1.00 0.00 O ATOM 0 H TYR A 65 1.370 -5.531 3.025 1.00 0.00 H new ATOM 0 HA TYR A 65 1.399 -2.614 2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.813 -2.636 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.491 -3.103 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.659 -4.283 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.880 -5.413 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.938 -6.351 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.161 -7.480 4.311 1.00 0.00 H new ATOM 0 HH TYR A 65 7.143 -8.184 2.655 1.00 0.00 H new ATOM 1016 N GLY A 66 0.868 -3.158 0.367 1.00 0.00 N ATOM 1017 CA GLY A 66 0.624 -3.402 -1.043 1.00 0.00 C ATOM 1018 C GLY A 66 0.965 -2.203 -1.906 1.00 0.00 C ATOM 1019 O GLY A 66 1.680 -1.300 -1.472 1.00 0.00 O ATOM 0 H GLY A 66 0.341 -2.381 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.214 -4.259 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.424 -3.663 -1.187 1.00 0.00 H new ATOM 1023 N TYR A 67 0.454 -2.195 -3.132 1.00 0.00 N ATOM 1024 CA TYR A 67 0.711 -1.100 -4.060 1.00 0.00 C ATOM 1025 C TYR A 67 -0.481 -0.879 -4.986 1.00 0.00 C ATOM 1026 O TYR A 67 -1.433 -1.659 -4.987 1.00 0.00 O ATOM 1027 CB TYR A 67 1.966 -1.388 -4.886 1.00 0.00 C ATOM 1028 CG TYR A 67 1.720 -2.309 -6.060 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.702 -3.688 -5.894 1.00 0.00 C ATOM 1030 CD2 TYR A 67 1.505 -1.799 -7.334 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.479 -4.533 -6.964 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.279 -2.636 -8.410 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.267 -4.002 -8.220 1.00 0.00 C ATOM 1034 OH TYR A 67 1.043 -4.840 -9.288 1.00 0.00 O ATOM 0 H TYR A 67 -0.141 -2.934 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 67 0.868 -0.193 -3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.373 -0.446 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.723 -1.832 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.865 -4.107 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.515 -0.730 -7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.471 -5.603 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.113 -2.223 -9.394 1.00 0.00 H new ATOM 0 HH TYR A 67 1.854 -4.897 -9.835 1.00 0.00 H new ATOM 1044 N ASP A 68 -0.420 0.189 -5.773 1.00 0.00 N ATOM 1045 CA ASP A 68 -1.493 0.514 -6.705 1.00 0.00 C ATOM 1046 C ASP A 68 -1.070 1.633 -7.652 1.00 0.00 C ATOM 1047 O ASP A 68 0.078 2.077 -7.631 1.00 0.00 O ATOM 1048 CB ASP A 68 -2.754 0.924 -5.943 1.00 0.00 C ATOM 1049 CG ASP A 68 -4.024 0.505 -6.657 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -4.452 1.230 -7.580 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -4.591 -0.546 -6.293 1.00 0.00 O ATOM 0 H ASP A 68 0.361 0.845 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.709 -0.376 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.735 0.478 -4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.757 2.005 -5.807 1.00 0.00 H new ATOM 1056 N SER A 69 -2.004 2.084 -8.483 1.00 0.00 N ATOM 1057 CA SER A 69 -1.727 3.147 -9.441 1.00 0.00 C ATOM 1058 C SER A 69 -1.367 4.444 -8.724 1.00 0.00 C ATOM 1059 O SER A 69 -2.216 5.076 -8.097 1.00 0.00 O ATOM 1060 CB SER A 69 -2.937 3.372 -10.350 1.00 0.00 C ATOM 1061 OG SER A 69 -4.149 3.141 -9.652 1.00 0.00 O ATOM 0 H SER A 69 -2.960 1.729 -8.512 1.00 0.00 H new ATOM 0 HA SER A 69 -0.876 2.841 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.923 4.392 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.877 2.707 -11.212 1.00 0.00 H new ATOM 0 HG SER A 69 -4.907 3.293 -10.254 1.00 0.00 H new ATOM 1067 N ASN A 70 -0.100 4.835 -8.821 1.00 0.00 N ATOM 1068 CA ASN A 70 0.374 6.057 -8.182 1.00 0.00 C ATOM 1069 C ASN A 70 -0.154 6.164 -6.754 1.00 0.00 C ATOM 1070 O ASN A 70 -0.405 7.261 -6.253 1.00 0.00 O ATOM 1071 CB ASN A 70 -0.059 7.282 -8.990 1.00 0.00 C ATOM 1072 CG ASN A 70 -1.526 7.235 -9.370 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -1.918 6.518 -10.292 1.00 0.00 O ATOM 1074 ND2 ASN A 70 -2.346 8.001 -8.660 1.00 0.00 N ATOM 0 H ASN A 70 0.616 4.323 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 70 1.463 6.020 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.134 8.184 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.546 7.350 -9.894 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.344 8.011 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.978 8.579 -7.905 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.320 5.017 -6.103 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.817 4.981 -4.733 1.00 0.00 C ATOM 1083 C LEU A 71 -0.057 3.950 -3.905 1.00 0.00 C ATOM 1084 O LEU A 71 0.048 2.785 -4.288 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.313 4.659 -4.720 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.117 5.250 -3.561 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -2.727 4.587 -2.249 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -2.911 6.755 -3.482 1.00 0.00 C ATOM 0 H LEU A 71 -0.118 4.101 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.659 5.964 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.748 5.012 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.431 3.576 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.175 5.057 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.309 5.020 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.927 3.517 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.665 4.748 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.491 7.158 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.854 6.970 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.241 7.217 -4.413 1.00 0.00 H new ATOM 1100 N PHE A 72 0.472 4.387 -2.766 1.00 0.00 N ATOM 1101 CA PHE A 72 1.222 3.502 -1.883 1.00 0.00 C ATOM 1102 C PHE A 72 0.823 3.721 -0.426 1.00 0.00 C ATOM 1103 O PHE A 72 1.060 4.788 0.139 1.00 0.00 O ATOM 1104 CB PHE A 72 2.725 3.732 -2.052 1.00 0.00 C ATOM 1105 CG PHE A 72 3.564 2.951 -1.082 1.00 0.00 C ATOM 1106 CD1 PHE A 72 3.521 1.566 -1.067 1.00 0.00 C ATOM 1107 CD2 PHE A 72 4.397 3.601 -0.185 1.00 0.00 C ATOM 1108 CE1 PHE A 72 4.292 0.844 -0.175 1.00 0.00 C ATOM 1109 CE2 PHE A 72 5.170 2.885 0.710 1.00 0.00 C ATOM 1110 CZ PHE A 72 5.118 1.504 0.714 1.00 0.00 C ATOM 0 H PHE A 72 0.395 5.348 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 72 0.986 2.473 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.014 3.463 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.938 4.794 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.878 1.044 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.443 4.680 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.249 -0.235 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.813 3.404 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.722 0.942 1.411 1.00 0.00 H new ATOM 1120 N SER A 73 0.216 2.703 0.174 1.00 0.00 N ATOM 1121 CA SER A 73 -0.221 2.785 1.563 1.00 0.00 C ATOM 1122 C SER A 73 0.184 1.533 2.335 1.00 0.00 C ATOM 1123 O SER A 73 0.418 0.476 1.748 1.00 0.00 O ATOM 1124 CB SER A 73 -1.737 2.973 1.633 1.00 0.00 C ATOM 1125 OG SER A 73 -2.198 2.910 2.972 1.00 0.00 O ATOM 0 H SER A 73 0.015 1.812 -0.279 1.00 0.00 H new ATOM 0 HA SER A 73 0.266 3.646 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.008 3.935 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.230 2.203 1.039 1.00 0.00 H new ATOM 0 HG SER A 73 -1.593 3.420 3.551 1.00 0.00 H new ATOM 1131 N PHE A 74 0.265 1.659 3.655 1.00 0.00 N ATOM 1132 CA PHE A 74 0.643 0.539 4.509 1.00 0.00 C ATOM 1133 C PHE A 74 -0.016 0.654 5.880 1.00 0.00 C ATOM 1134 O PHE A 74 -0.090 1.739 6.455 1.00 0.00 O ATOM 1135 CB PHE A 74 2.164 0.478 4.664 1.00 0.00 C ATOM 1136 CG PHE A 74 2.766 1.760 5.165 1.00 0.00 C ATOM 1137 CD1 PHE A 74 3.165 2.747 4.277 1.00 0.00 C ATOM 1138 CD2 PHE A 74 2.934 1.979 6.523 1.00 0.00 C ATOM 1139 CE1 PHE A 74 3.720 3.926 4.735 1.00 0.00 C ATOM 1140 CE2 PHE A 74 3.489 3.157 6.986 1.00 0.00 C ATOM 1141 CZ PHE A 74 3.881 4.132 6.091 1.00 0.00 C ATOM 0 H PHE A 74 0.074 2.526 4.157 1.00 0.00 H new ATOM 0 HA PHE A 74 0.297 -0.380 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.419 -0.328 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.610 0.228 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.041 2.592 3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.628 1.220 7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.028 4.687 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.616 3.315 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.313 5.054 6.451 1.00 0.00 H new ATOM 1151 N GLU A 75 -0.493 -0.474 6.398 1.00 0.00 N ATOM 1152 CA GLU A 75 -1.146 -0.499 7.701 1.00 0.00 C ATOM 1153 C GLU A 75 -0.177 -0.959 8.787 1.00 0.00 C ATOM 1154 O GLU A 75 0.836 -1.596 8.501 1.00 0.00 O ATOM 1155 CB GLU A 75 -2.366 -1.422 7.667 1.00 0.00 C ATOM 1156 CG GLU A 75 -3.265 -1.288 8.884 1.00 0.00 C ATOM 1157 CD GLU A 75 -4.653 -1.851 8.649 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -4.756 -3.026 8.238 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -5.637 -1.116 8.876 1.00 0.00 O ATOM 0 H GLU A 75 -0.439 -1.381 5.935 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.472 0.514 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.948 -1.208 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.027 -2.455 7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.806 -1.803 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.345 -0.236 9.158 1.00 0.00 H new ATOM 1166 N SER A 76 -0.497 -0.629 10.035 1.00 0.00 N ATOM 1167 CA SER A 76 0.347 -1.004 11.164 1.00 0.00 C ATOM 1168 C SER A 76 -0.472 -1.091 12.448 1.00 0.00 C ATOM 1169 O SER A 76 -1.502 -0.432 12.587 1.00 0.00 O ATOM 1170 CB SER A 76 1.482 0.007 11.337 1.00 0.00 C ATOM 1171 OG SER A 76 2.405 -0.074 10.264 1.00 0.00 O ATOM 0 H SER A 76 -1.333 -0.103 10.289 1.00 0.00 H new ATOM 0 HA SER A 76 0.773 -1.986 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.070 1.015 11.392 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.998 -0.178 12.279 1.00 0.00 H new ATOM 0 HG SER A 76 2.073 -0.707 9.594 1.00 0.00 H new ATOM 1177 N GLY A 77 -0.005 -1.910 13.386 1.00 0.00 N ATOM 1178 CA GLY A 77 -0.705 -2.069 14.647 1.00 0.00 C ATOM 1179 C GLY A 77 -0.841 -0.763 15.404 1.00 0.00 C ATOM 1180 O GLY A 77 -0.859 0.311 14.803 1.00 0.00 O ATOM 0 H GLY A 77 0.845 -2.466 13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.696 -2.481 14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.172 -2.790 15.266 1.00 0.00 H new ATOM 1184 N ARG A 78 -0.940 -0.855 16.726 1.00 0.00 N ATOM 1185 CA ARG A 78 -1.078 0.329 17.565 1.00 0.00 C ATOM 1186 C ARG A 78 0.155 0.519 18.445 1.00 0.00 C ATOM 1187 O ARG A 78 0.369 1.594 19.006 1.00 0.00 O ATOM 1188 CB ARG A 78 -2.329 0.218 18.439 1.00 0.00 C ATOM 1189 CG ARG A 78 -2.360 -1.034 19.300 1.00 0.00 C ATOM 1190 CD ARG A 78 -3.051 -2.185 18.585 1.00 0.00 C ATOM 1191 NE ARG A 78 -3.652 -3.130 19.523 1.00 0.00 N ATOM 1192 CZ ARG A 78 -4.681 -3.913 19.219 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -5.220 -3.864 18.008 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -5.172 -4.747 20.126 1.00 0.00 N ATOM 0 H ARG A 78 -0.927 -1.737 17.239 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.175 1.197 16.912 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.390 1.094 19.084 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.211 0.231 17.799 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.342 -1.324 19.559 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.878 -0.821 20.235 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.822 -1.790 17.924 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.329 -2.707 17.957 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.260 -3.192 20.463 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.844 -3.224 17.308 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.010 -4.466 17.777 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.759 -4.787 21.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.962 -5.348 19.892 1.00 0.00 H new ATOM 1208 N ARG A 79 0.960 -0.531 18.561 1.00 0.00 N ATOM 1209 CA ARG A 79 2.170 -0.481 19.373 1.00 0.00 C ATOM 1210 C ARG A 79 3.227 0.405 18.719 1.00 0.00 C ATOM 1211 O ARG A 79 4.216 0.776 19.351 1.00 0.00 O ATOM 1212 CB ARG A 79 2.728 -1.890 19.582 1.00 0.00 C ATOM 1213 CG ARG A 79 3.245 -2.536 18.308 1.00 0.00 C ATOM 1214 CD ARG A 79 3.716 -3.960 18.556 1.00 0.00 C ATOM 1215 NE ARG A 79 2.641 -4.932 18.375 1.00 0.00 N ATOM 1216 CZ ARG A 79 2.188 -5.314 17.186 1.00 0.00 C ATOM 1217 NH1 ARG A 79 2.715 -4.809 16.079 1.00 0.00 N ATOM 1218 NH2 ARG A 79 1.207 -6.203 17.103 1.00 0.00 N ATOM 0 H ARG A 79 0.797 -1.428 18.103 1.00 0.00 H new ATOM 0 HA ARG A 79 1.911 -0.053 20.341 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.537 -1.847 20.311 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.948 -2.521 20.008 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.457 -2.538 17.555 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.068 -1.944 17.907 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.535 -4.194 17.876 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.110 -4.040 19.569 1.00 0.00 H new ATOM 0 HE ARG A 79 2.215 -5.340 19.207 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.470 -4.126 16.139 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.366 -5.104 15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.800 -6.594 17.953 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.860 -6.496 16.190 1.00 0.00 H new ATOM 1232 N CYS A 80 3.010 0.738 17.452 1.00 0.00 N ATOM 1233 CA CYS A 80 3.945 1.579 16.712 1.00 0.00 C ATOM 1234 C CYS A 80 3.865 3.027 17.185 1.00 0.00 C ATOM 1235 O CYS A 80 3.069 3.359 18.062 1.00 0.00 O ATOM 1236 CB CYS A 80 3.655 1.503 15.213 1.00 0.00 C ATOM 1237 SG CYS A 80 1.896 1.569 14.797 1.00 0.00 S ATOM 0 H CYS A 80 2.196 0.439 16.915 1.00 0.00 H new ATOM 0 HA CYS A 80 4.953 1.210 16.899 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.167 2.325 14.713 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.076 0.578 14.819 1.00 0.00 H new ATOM 0 HG CYS A 80 1.759 1.714 13.512 1.00 0.00 H new ATOM 1243 N GLN A 81 4.697 3.882 16.599 1.00 0.00 N ATOM 1244 CA GLN A 81 4.721 5.294 16.963 1.00 0.00 C ATOM 1245 C GLN A 81 3.418 5.980 16.569 1.00 0.00 C ATOM 1246 O GLN A 81 2.609 6.340 17.425 1.00 0.00 O ATOM 1247 CB GLN A 81 5.904 5.994 16.291 1.00 0.00 C ATOM 1248 CG GLN A 81 5.772 7.508 16.254 1.00 0.00 C ATOM 1249 CD GLN A 81 7.073 8.198 15.891 1.00 0.00 C ATOM 1250 OE1 GLN A 81 8.121 7.918 16.473 1.00 0.00 O ATOM 1251 NE2 GLN A 81 7.011 9.107 14.925 1.00 0.00 N ATOM 0 H GLN A 81 5.363 3.622 15.871 1.00 0.00 H new ATOM 0 HA GLN A 81 4.833 5.363 18.045 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.820 5.730 16.820 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.005 5.621 15.272 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.004 7.785 15.531 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.436 7.864 17.228 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.121 9.307 14.470 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.854 9.605 14.638 1.00 0.00 H new ATOM 1260 N THR A 82 3.219 6.160 15.266 1.00 0.00 N ATOM 1261 CA THR A 82 2.015 6.805 14.759 1.00 0.00 C ATOM 1262 C THR A 82 0.761 6.170 15.349 1.00 0.00 C ATOM 1263 O THR A 82 -0.244 6.846 15.568 1.00 0.00 O ATOM 1264 CB THR A 82 1.941 6.727 13.222 1.00 0.00 C ATOM 1265 OG1 THR A 82 2.023 5.362 12.797 1.00 0.00 O ATOM 1266 CG2 THR A 82 3.065 7.530 12.585 1.00 0.00 C ATOM 0 H THR A 82 3.877 5.868 14.543 1.00 0.00 H new ATOM 0 HA THR A 82 2.066 7.851 15.061 1.00 0.00 H new ATOM 0 HB THR A 82 0.988 7.150 12.904 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.256 5.151 12.225 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.992 7.460 11.500 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.983 8.574 12.888 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.026 7.132 12.911 1.00 0.00 H new ATOM 1274 N GLY A 83 0.827 4.867 15.606 1.00 0.00 N ATOM 1275 CA GLY A 83 -0.310 4.164 16.170 1.00 0.00 C ATOM 1276 C GLY A 83 -1.175 3.514 15.108 1.00 0.00 C ATOM 1277 O GLY A 83 -0.804 3.476 13.935 1.00 0.00 O ATOM 0 H GLY A 83 1.648 4.286 15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.046 3.401 16.862 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.914 4.862 16.749 1.00 0.00 H new ATOM 1281 N GLN A 84 -2.330 3.001 15.520 1.00 0.00 N ATOM 1282 CA GLN A 84 -3.248 2.347 14.595 1.00 0.00 C ATOM 1283 C GLN A 84 -3.713 3.317 13.514 1.00 0.00 C ATOM 1284 O GLN A 84 -3.701 4.532 13.708 1.00 0.00 O ATOM 1285 CB GLN A 84 -4.455 1.789 15.350 1.00 0.00 C ATOM 1286 CG GLN A 84 -5.098 2.792 16.295 1.00 0.00 C ATOM 1287 CD GLN A 84 -6.419 2.302 16.854 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -7.019 1.363 16.330 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -6.881 2.937 17.925 1.00 0.00 N ATOM 0 H GLN A 84 -2.652 3.026 16.488 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.717 1.525 14.116 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.200 1.452 14.629 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.144 0.913 15.920 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.414 3.000 17.118 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.257 3.732 15.767 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.351 3.710 18.327 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.765 2.651 18.345 1.00 0.00 H new ATOM 1298 N GLY A 85 -4.123 2.772 12.372 1.00 0.00 N ATOM 1299 CA GLY A 85 -4.587 3.603 11.277 1.00 0.00 C ATOM 1300 C GLY A 85 -3.814 3.358 9.996 1.00 0.00 C ATOM 1301 O GLY A 85 -2.630 3.019 10.033 1.00 0.00 O ATOM 0 H GLY A 85 -4.142 1.769 12.186 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.645 3.410 11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.496 4.652 11.557 1.00 0.00 H new ATOM 1305 N ILE A 86 -4.484 3.527 8.861 1.00 0.00 N ATOM 1306 CA ILE A 86 -3.852 3.322 7.564 1.00 0.00 C ATOM 1307 C ILE A 86 -3.404 4.646 6.954 1.00 0.00 C ATOM 1308 O ILE A 86 -4.194 5.581 6.825 1.00 0.00 O ATOM 1309 CB ILE A 86 -4.802 2.613 6.581 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -5.125 1.202 7.078 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -4.186 2.563 5.191 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.231 0.525 6.298 1.00 0.00 C ATOM 0 H ILE A 86 -5.464 3.805 8.814 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.980 2.690 7.735 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.731 3.180 6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.224 0.590 7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.411 1.252 8.129 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.870 2.059 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.003 3.578 4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.244 2.017 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.406 -0.471 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.144 1.115 6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.940 0.443 5.251 1.00 0.00 H new ATOM 1324 N PHE A 87 -2.131 4.717 6.580 1.00 0.00 N ATOM 1325 CA PHE A 87 -1.577 5.927 5.982 1.00 0.00 C ATOM 1326 C PHE A 87 -1.249 5.705 4.509 1.00 0.00 C ATOM 1327 O PHE A 87 -0.489 4.802 4.161 1.00 0.00 O ATOM 1328 CB PHE A 87 -0.319 6.364 6.736 1.00 0.00 C ATOM 1329 CG PHE A 87 -0.420 6.184 8.224 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -1.415 6.823 8.947 1.00 0.00 C ATOM 1331 CD2 PHE A 87 0.481 5.377 8.901 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -1.510 6.660 10.316 1.00 0.00 C ATOM 1333 CE2 PHE A 87 0.390 5.210 10.269 1.00 0.00 C ATOM 1334 CZ PHE A 87 -0.606 5.853 10.978 1.00 0.00 C ATOM 0 H PHE A 87 -1.464 3.952 6.680 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.328 6.714 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.533 5.794 6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.120 7.413 6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.124 7.456 8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.263 4.873 8.353 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.290 7.163 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.097 4.577 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.678 5.725 12.048 1.00 0.00 H new ATOM 1344 N ALA A 88 -1.828 6.535 3.648 1.00 0.00 N ATOM 1345 CA ALA A 88 -1.597 6.431 2.213 1.00 0.00 C ATOM 1346 C ALA A 88 -0.768 7.605 1.704 1.00 0.00 C ATOM 1347 O ALA A 88 -0.774 8.685 2.295 1.00 0.00 O ATOM 1348 CB ALA A 88 -2.922 6.356 1.469 1.00 0.00 C ATOM 0 H ALA A 88 -2.461 7.287 3.920 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.036 5.516 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.734 6.279 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.478 5.481 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.504 7.255 1.671 1.00 0.00 H new ATOM 1354 N PHE A 89 -0.054 7.387 0.604 1.00 0.00 N ATOM 1355 CA PHE A 89 0.782 8.427 0.016 1.00 0.00 C ATOM 1356 C PHE A 89 0.857 8.272 -1.500 1.00 0.00 C ATOM 1357 O PHE A 89 0.822 7.159 -2.025 1.00 0.00 O ATOM 1358 CB PHE A 89 2.189 8.379 0.615 1.00 0.00 C ATOM 1359 CG PHE A 89 2.200 8.163 2.102 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.829 6.942 2.641 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.584 9.182 2.960 1.00 0.00 C ATOM 1362 CE1 PHE A 89 1.838 6.742 4.008 1.00 0.00 C ATOM 1363 CE2 PHE A 89 2.595 8.987 4.328 1.00 0.00 C ATOM 1364 CZ PHE A 89 2.223 7.765 4.853 1.00 0.00 C ATOM 0 H PHE A 89 -0.038 6.499 0.102 1.00 0.00 H new ATOM 0 HA PHE A 89 0.331 9.393 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.752 7.579 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.704 9.312 0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.529 6.138 1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.878 10.139 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.544 5.786 4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.894 9.789 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.233 7.609 5.922 1.00 0.00 H new ATOM 1374 N LYS A 90 0.959 9.398 -2.199 1.00 0.00 N ATOM 1375 CA LYS A 90 1.040 9.390 -3.655 1.00 0.00 C ATOM 1376 C LYS A 90 2.490 9.289 -4.119 1.00 0.00 C ATOM 1377 O LYS A 90 3.296 10.185 -3.865 1.00 0.00 O ATOM 1378 CB LYS A 90 0.397 10.655 -4.228 1.00 0.00 C ATOM 1379 CG LYS A 90 -1.098 10.524 -4.462 1.00 0.00 C ATOM 1380 CD LYS A 90 -1.644 11.703 -5.251 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.063 11.442 -5.733 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.562 12.537 -6.609 1.00 0.00 N ATOM 0 H LYS A 90 0.988 10.328 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 90 0.499 8.517 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.578 11.486 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.883 10.905 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.303 9.599 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.613 10.457 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.629 12.597 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.998 11.900 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.093 10.499 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.724 11.335 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.105 12.131 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.174 13.171 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.756 13.075 -6.985 1.00 0.00 H new ATOM 1396 N CYS A 91 2.813 8.196 -4.799 1.00 0.00 N ATOM 1397 CA CYS A 91 4.166 7.978 -5.299 1.00 0.00 C ATOM 1398 C CYS A 91 4.151 7.670 -6.793 1.00 0.00 C ATOM 1399 O CYS A 91 3.101 7.380 -7.366 1.00 0.00 O ATOM 1400 CB CYS A 91 4.837 6.835 -4.537 1.00 0.00 C ATOM 1401 SG CYS A 91 6.644 6.872 -4.588 1.00 0.00 S ATOM 0 H CYS A 91 2.157 7.446 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 91 4.736 8.893 -5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.513 6.867 -3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.492 5.887 -4.949 1.00 0.00 H new ATOM 0 HG CYS A 91 7.057 8.097 -4.447 1.00 0.00 H new ATOM 1407 N SER A 92 5.322 7.736 -7.418 1.00 0.00 N ATOM 1408 CA SER A 92 5.443 7.469 -8.846 1.00 0.00 C ATOM 1409 C SER A 92 5.806 6.009 -9.097 1.00 0.00 C ATOM 1410 O SER A 92 5.349 5.402 -10.066 1.00 0.00 O ATOM 1411 CB SER A 92 6.499 8.384 -9.470 1.00 0.00 C ATOM 1412 OG SER A 92 6.209 9.747 -9.212 1.00 0.00 O ATOM 0 H SER A 92 6.201 7.972 -6.957 1.00 0.00 H new ATOM 0 HA SER A 92 4.478 7.670 -9.311 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.482 8.136 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.541 8.215 -10.546 1.00 0.00 H new ATOM 0 HG SER A 92 6.899 10.311 -9.619 1.00 0.00 H new ATOM 1418 N ARG A 93 6.632 5.451 -8.217 1.00 0.00 N ATOM 1419 CA ARG A 93 7.058 4.063 -8.343 1.00 0.00 C ATOM 1420 C ARG A 93 6.485 3.213 -7.213 1.00 0.00 C ATOM 1421 O ARG A 93 7.203 2.444 -6.575 1.00 0.00 O ATOM 1422 CB ARG A 93 8.586 3.974 -8.338 1.00 0.00 C ATOM 1423 CG ARG A 93 9.262 5.052 -9.169 1.00 0.00 C ATOM 1424 CD ARG A 93 10.753 4.794 -9.310 1.00 0.00 C ATOM 1425 NE ARG A 93 11.034 3.700 -10.236 1.00 0.00 N ATOM 1426 CZ ARG A 93 12.232 3.142 -10.373 1.00 0.00 C ATOM 1427 NH1 ARG A 93 13.255 3.573 -9.647 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.409 2.151 -11.237 1.00 0.00 N ATOM 0 H ARG A 93 7.019 5.939 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 93 6.681 3.678 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.942 4.043 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.886 2.996 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.804 5.092 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.102 6.025 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.246 5.701 -9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.174 4.559 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 93 10.269 3.345 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.123 4.335 -8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.174 3.143 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.625 1.817 -11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.329 1.724 -11.341 1.00 0.00 H new ATOM 1442 N ALA A 94 5.186 3.359 -6.971 1.00 0.00 N ATOM 1443 CA ALA A 94 4.516 2.605 -5.919 1.00 0.00 C ATOM 1444 C ALA A 94 4.932 1.138 -5.946 1.00 0.00 C ATOM 1445 O ALA A 94 5.385 0.594 -4.939 1.00 0.00 O ATOM 1446 CB ALA A 94 3.006 2.730 -6.060 1.00 0.00 C ATOM 0 H ALA A 94 4.577 3.992 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 94 4.816 3.023 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.518 2.162 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.719 3.779 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.697 2.339 -7.030 1.00 0.00 H new ATOM 1452 N GLU A 95 4.773 0.503 -7.103 1.00 0.00 N ATOM 1453 CA GLU A 95 5.131 -0.902 -7.259 1.00 0.00 C ATOM 1454 C GLU A 95 6.558 -1.155 -6.782 1.00 0.00 C ATOM 1455 O GLU A 95 6.792 -1.985 -5.904 1.00 0.00 O ATOM 1456 CB GLU A 95 4.986 -1.329 -8.720 1.00 0.00 C ATOM 1457 CG GLU A 95 4.964 -2.836 -8.915 1.00 0.00 C ATOM 1458 CD GLU A 95 4.273 -3.249 -10.200 1.00 0.00 C ATOM 1459 OE1 GLU A 95 4.153 -2.400 -11.109 1.00 0.00 O ATOM 1460 OE2 GLU A 95 3.853 -4.421 -10.297 1.00 0.00 O ATOM 0 H GLU A 95 4.399 0.939 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 95 4.451 -1.494 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.066 -0.906 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.810 -0.909 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.987 -3.213 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.457 -3.300 -8.069 1.00 0.00 H new ATOM 1467 N GLU A 96 7.508 -0.434 -7.369 1.00 0.00 N ATOM 1468 CA GLU A 96 8.913 -0.583 -7.006 1.00 0.00 C ATOM 1469 C GLU A 96 9.066 -0.794 -5.502 1.00 0.00 C ATOM 1470 O GLU A 96 9.668 -1.773 -5.061 1.00 0.00 O ATOM 1471 CB GLU A 96 9.708 0.649 -7.443 1.00 0.00 C ATOM 1472 CG GLU A 96 9.812 0.804 -8.951 1.00 0.00 C ATOM 1473 CD GLU A 96 10.224 -0.481 -9.642 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.427 -0.814 -9.605 1.00 0.00 O ATOM 1475 OE2 GLU A 96 9.345 -1.154 -10.219 1.00 0.00 O ATOM 0 H GLU A 96 7.331 0.258 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 96 9.305 -1.461 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.239 1.540 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.712 0.591 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.851 1.132 -9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.536 1.585 -9.183 1.00 0.00 H new ATOM 1482 N ILE A 97 8.519 0.131 -4.722 1.00 0.00 N ATOM 1483 CA ILE A 97 8.594 0.046 -3.269 1.00 0.00 C ATOM 1484 C ILE A 97 7.950 -1.238 -2.759 1.00 0.00 C ATOM 1485 O ILE A 97 8.393 -1.816 -1.766 1.00 0.00 O ATOM 1486 CB ILE A 97 7.910 1.252 -2.598 1.00 0.00 C ATOM 1487 CG1 ILE A 97 8.487 2.561 -3.141 1.00 0.00 C ATOM 1488 CG2 ILE A 97 8.074 1.181 -1.087 1.00 0.00 C ATOM 1489 CD1 ILE A 97 7.539 3.734 -3.026 1.00 0.00 C ATOM 0 H ILE A 97 8.019 0.948 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 97 9.652 0.047 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 97 6.845 1.222 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.406 2.794 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.756 2.423 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.585 2.040 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.620 0.263 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.135 1.189 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.015 4.627 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.629 3.522 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.289 3.899 -1.978 1.00 0.00 H new ATOM 1501 N PHE A 98 6.902 -1.681 -3.446 1.00 0.00 N ATOM 1502 CA PHE A 98 6.196 -2.898 -3.064 1.00 0.00 C ATOM 1503 C PHE A 98 6.970 -4.137 -3.505 1.00 0.00 C ATOM 1504 O PHE A 98 6.776 -5.227 -2.968 1.00 0.00 O ATOM 1505 CB PHE A 98 4.794 -2.914 -3.676 1.00 0.00 C ATOM 1506 CG PHE A 98 4.336 -4.283 -4.091 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.987 -5.228 -3.140 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.255 -4.625 -5.431 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.566 -6.489 -3.518 1.00 0.00 C ATOM 1510 CE2 PHE A 98 3.835 -5.884 -5.816 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.489 -6.817 -4.858 1.00 0.00 C ATOM 0 H PHE A 98 6.523 -1.215 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 98 6.110 -2.912 -1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.087 -2.506 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.778 -2.256 -4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.045 -4.976 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.523 -3.899 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.298 -7.217 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.777 -6.138 -6.864 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.159 -7.801 -5.156 1.00 0.00 H new ATOM 1521 N ASN A 99 7.848 -3.960 -4.487 1.00 0.00 N ATOM 1522 CA ASN A 99 8.651 -5.064 -5.002 1.00 0.00 C ATOM 1523 C ASN A 99 9.981 -5.161 -4.260 1.00 0.00 C ATOM 1524 O ASN A 99 10.562 -6.241 -4.145 1.00 0.00 O ATOM 1525 CB ASN A 99 8.902 -4.883 -6.500 1.00 0.00 C ATOM 1526 CG ASN A 99 7.767 -5.426 -7.346 1.00 0.00 C ATOM 1527 OD1 ASN A 99 7.026 -6.310 -6.917 1.00 0.00 O ATOM 1528 ND2 ASN A 99 7.626 -4.897 -8.556 1.00 0.00 N ATOM 0 H ASN A 99 8.022 -3.064 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 99 8.098 -5.989 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.039 -3.824 -6.717 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.829 -5.387 -6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.880 -5.222 -9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.264 -4.166 -8.870 1.00 0.00 H new ATOM 1535 N LEU A 100 10.456 -4.027 -3.758 1.00 0.00 N ATOM 1536 CA LEU A 100 11.718 -3.983 -3.026 1.00 0.00 C ATOM 1537 C LEU A 100 11.503 -4.312 -1.552 1.00 0.00 C ATOM 1538 O LEU A 100 12.348 -4.944 -0.917 1.00 0.00 O ATOM 1539 CB LEU A 100 12.363 -2.603 -3.165 1.00 0.00 C ATOM 1540 CG LEU A 100 13.747 -2.443 -2.534 1.00 0.00 C ATOM 1541 CD1 LEU A 100 14.639 -3.620 -2.899 1.00 0.00 C ATOM 1542 CD2 LEU A 100 14.384 -1.133 -2.972 1.00 0.00 C ATOM 0 H LEU A 100 9.987 -3.125 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 100 12.385 -4.732 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 100 12.440 -2.365 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 100 11.695 -1.865 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 100 13.631 -2.423 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.620 -3.489 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 100 14.189 -4.544 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 100 14.748 -3.672 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 100 15.368 -1.036 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 100 14.487 -1.123 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.754 -0.300 -2.660 1.00 0.00 H new ATOM 1554 N LEU A 101 10.368 -3.880 -1.015 1.00 0.00 N ATOM 1555 CA LEU A 101 10.040 -4.130 0.385 1.00 0.00 C ATOM 1556 C LEU A 101 10.284 -5.591 0.749 1.00 0.00 C ATOM 1557 O LEU A 101 11.142 -5.899 1.576 1.00 0.00 O ATOM 1558 CB LEU A 101 8.582 -3.761 0.662 1.00 0.00 C ATOM 1559 CG LEU A 101 8.330 -2.326 1.125 1.00 0.00 C ATOM 1560 CD1 LEU A 101 6.841 -2.015 1.115 1.00 0.00 C ATOM 1561 CD2 LEU A 101 8.913 -2.103 2.513 1.00 0.00 C ATOM 0 H LEU A 101 9.659 -3.355 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 101 10.689 -3.508 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.005 -3.935 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.194 -4.440 1.421 1.00 0.00 H new ATOM 0 HG LEU A 101 8.827 -1.649 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.681 -0.989 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.451 -2.134 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.322 -2.699 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.724 -1.076 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.445 -2.790 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.988 -2.283 2.490 1.00 0.00 H new ATOM 1573 N GLN A 102 9.526 -6.486 0.123 1.00 0.00 N ATOM 1574 CA GLN A 102 9.662 -7.915 0.381 1.00 0.00 C ATOM 1575 C GLN A 102 11.108 -8.365 0.202 1.00 0.00 C ATOM 1576 O GLN A 102 11.577 -9.271 0.892 1.00 0.00 O ATOM 1577 CB GLN A 102 8.748 -8.712 -0.552 1.00 0.00 C ATOM 1578 CG GLN A 102 9.083 -8.539 -2.025 1.00 0.00 C ATOM 1579 CD GLN A 102 8.262 -9.447 -2.920 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.383 -8.988 -3.651 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.545 -10.744 -2.867 1.00 0.00 N ATOM 0 H GLN A 102 8.812 -6.247 -0.566 1.00 0.00 H new ATOM 0 HA GLN A 102 9.368 -8.102 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.813 -9.769 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.715 -8.406 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.914 -7.501 -2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.142 -8.744 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.282 -11.080 -2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.026 -11.403 -3.447 1.00 0.00 H new ATOM 1590 N ASP A 103 11.810 -7.728 -0.729 1.00 0.00 N ATOM 1591 CA ASP A 103 13.204 -8.063 -0.999 1.00 0.00 C ATOM 1592 C ASP A 103 14.091 -7.686 0.183 1.00 0.00 C ATOM 1593 O ASP A 103 15.155 -8.274 0.387 1.00 0.00 O ATOM 1594 CB ASP A 103 13.686 -7.350 -2.263 1.00 0.00 C ATOM 1595 CG ASP A 103 13.470 -8.178 -3.513 1.00 0.00 C ATOM 1596 OD1 ASP A 103 14.014 -9.301 -3.583 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.757 -7.705 -4.422 1.00 0.00 O ATOM 0 H ASP A 103 11.437 -6.977 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 103 13.271 -9.140 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.160 -6.401 -2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.746 -7.118 -2.164 1.00 0.00 H new ATOM 1602 N LEU A 104 13.649 -6.703 0.959 1.00 0.00 N ATOM 1603 CA LEU A 104 14.403 -6.247 2.122 1.00 0.00 C ATOM 1604 C LEU A 104 14.009 -7.031 3.369 1.00 0.00 C ATOM 1605 O LEU A 104 14.840 -7.290 4.240 1.00 0.00 O ATOM 1606 CB LEU A 104 14.171 -4.752 2.350 1.00 0.00 C ATOM 1607 CG LEU A 104 14.562 -3.828 1.197 1.00 0.00 C ATOM 1608 CD1 LEU A 104 14.082 -2.410 1.463 1.00 0.00 C ATOM 1609 CD2 LEU A 104 16.068 -3.852 0.981 1.00 0.00 C ATOM 0 H LEU A 104 12.772 -6.206 0.804 1.00 0.00 H new ATOM 0 HA LEU A 104 15.462 -6.419 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.115 -4.598 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.728 -4.449 3.236 1.00 0.00 H new ATOM 0 HG LEU A 104 14.079 -4.188 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.369 -1.767 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.997 -2.407 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.535 -2.039 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.328 -3.188 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.571 -3.518 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.385 -4.867 0.743 1.00 0.00 H new ATOM 1621 N MET A 105 12.737 -7.409 3.447 1.00 0.00 N ATOM 1622 CA MET A 105 12.235 -8.167 4.587 1.00 0.00 C ATOM 1623 C MET A 105 12.849 -9.563 4.625 1.00 0.00 C ATOM 1624 O MET A 105 13.541 -9.919 5.579 1.00 0.00 O ATOM 1625 CB MET A 105 10.709 -8.271 4.524 1.00 0.00 C ATOM 1626 CG MET A 105 10.011 -6.923 4.455 1.00 0.00 C ATOM 1627 SD MET A 105 8.261 -7.067 4.043 1.00 0.00 S ATOM 1628 CE MET A 105 7.513 -6.258 5.455 1.00 0.00 C ATOM 0 H MET A 105 12.036 -7.203 2.735 1.00 0.00 H new ATOM 0 HA MET A 105 12.520 -7.639 5.497 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.429 -8.861 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 105 10.353 -8.811 5.402 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.114 -6.415 5.414 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.506 -6.300 3.710 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.650 -6.834 5.790 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.241 -6.191 6.264 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.192 -5.255 5.172 1.00 0.00 H new ATOM 2275 N PHE B 2 -2.832 11.004 7.638 1.00 0.00 N ATOM 2276 CA PHE B 2 -4.253 10.791 7.391 1.00 0.00 C ATOM 2277 C PHE B 2 -4.625 9.325 7.592 1.00 0.00 C ATOM 2278 O PHE B 2 -3.841 8.426 7.286 1.00 0.00 O ATOM 2279 CB PHE B 2 -4.617 11.231 5.971 1.00 0.00 C ATOM 2280 CG PHE B 2 -6.089 11.162 5.681 1.00 0.00 C ATOM 2281 CD1 PHE B 2 -6.685 9.959 5.337 1.00 0.00 C ATOM 2282 CD2 PHE B 2 -6.877 12.299 5.752 1.00 0.00 C ATOM 2283 CE1 PHE B 2 -8.039 9.893 5.069 1.00 0.00 C ATOM 2284 CE2 PHE B 2 -8.231 12.239 5.485 1.00 0.00 C ATOM 2285 CZ PHE B 2 -8.813 11.034 5.144 1.00 0.00 C ATOM 0 HA PHE B 2 -4.815 11.392 8.106 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -4.272 12.253 5.816 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -4.084 10.603 5.257 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -6.085 9.063 5.278 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -6.427 13.244 6.019 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -8.492 8.950 4.801 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -8.834 13.133 5.543 1.00 0.00 H new ATOM 0 HZ PHE B 2 -9.872 10.984 4.936 1.00 0.00 H new ATOM 2295 N ARG B 3 -5.827 9.092 8.108 1.00 0.00 N ATOM 2296 CA ARG B 3 -6.304 7.736 8.352 1.00 0.00 C ATOM 2297 C ARG B 3 -7.352 7.334 7.319 1.00 0.00 C ATOM 2298 O ARG B 3 -8.245 8.115 6.988 1.00 0.00 O ATOM 2299 CB ARG B 3 -6.892 7.625 9.760 1.00 0.00 C ATOM 2300 CG ARG B 3 -5.851 7.714 10.864 1.00 0.00 C ATOM 2301 CD ARG B 3 -5.506 9.159 11.188 1.00 0.00 C ATOM 2302 NE ARG B 3 -6.531 9.795 12.011 1.00 0.00 N ATOM 2303 CZ ARG B 3 -6.713 11.110 12.072 1.00 0.00 C ATOM 2304 NH1 ARG B 3 -5.943 11.923 11.362 1.00 0.00 N ATOM 2305 NH2 ARG B 3 -7.668 11.613 12.843 1.00 0.00 N ATOM 0 H ARG B 3 -6.489 9.825 8.365 1.00 0.00 H new ATOM 0 HA ARG B 3 -5.455 7.058 8.265 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -7.627 8.417 9.901 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -7.423 6.677 9.849 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -6.225 7.218 11.760 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -4.949 7.183 10.559 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -4.549 9.195 11.709 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -5.386 9.720 10.261 1.00 0.00 H new ATOM 0 HE ARG B 3 -7.140 9.197 12.569 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -5.209 11.540 10.767 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -6.085 12.932 11.411 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -8.263 10.990 13.389 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -7.807 12.622 12.889 1.00 0.00 H new ATOM 2319 N LEU B 4 -7.237 6.111 6.812 1.00 0.00 N ATOM 2320 CA LEU B 4 -8.175 5.605 5.815 1.00 0.00 C ATOM 2321 C LEU B 4 -9.131 4.591 6.434 1.00 0.00 C ATOM 2322 O LEU B 4 -8.912 4.113 7.547 1.00 0.00 O ATOM 2323 CB LEU B 4 -7.416 4.964 4.652 1.00 0.00 C ATOM 2324 CG LEU B 4 -6.856 5.926 3.604 1.00 0.00 C ATOM 2325 CD1 LEU B 4 -5.974 5.183 2.614 1.00 0.00 C ATOM 2326 CD2 LEU B 4 -7.987 6.643 2.880 1.00 0.00 C ATOM 0 H LEU B 4 -6.504 5.452 7.075 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.759 6.446 5.440 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.590 4.382 5.060 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.083 4.262 4.152 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.246 6.672 4.113 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.585 5.884 1.876 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -5.144 4.717 3.145 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.560 4.414 2.110 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.570 7.324 2.138 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.623 5.910 2.384 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.579 7.209 3.600 1.00 0.00 H new ATOM 2338 N ARG B 5 -10.193 4.264 5.703 1.00 0.00 N ATOM 2339 CA ARG B 5 -11.183 3.306 6.179 1.00 0.00 C ATOM 2340 C ARG B 5 -10.999 1.952 5.500 1.00 0.00 C ATOM 2341 O ARG B 5 -11.124 0.904 6.135 1.00 0.00 O ATOM 2342 CB ARG B 5 -12.596 3.830 5.922 1.00 0.00 C ATOM 2343 CG ARG B 5 -13.159 4.653 7.069 1.00 0.00 C ATOM 2344 CD ARG B 5 -13.453 3.787 8.284 1.00 0.00 C ATOM 2345 NE ARG B 5 -14.055 4.555 9.371 1.00 0.00 N ATOM 2346 CZ ARG B 5 -15.342 4.882 9.413 1.00 0.00 C ATOM 2347 NH1 ARG B 5 -16.157 4.510 8.436 1.00 0.00 N ATOM 2348 NH2 ARG B 5 -15.816 5.583 10.436 1.00 0.00 N ATOM 0 H ARG B 5 -10.389 4.649 4.779 1.00 0.00 H new ATOM 0 HA ARG B 5 -11.041 3.177 7.252 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -12.590 4.439 5.018 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -13.259 2.985 5.733 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -12.449 5.434 7.341 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -14.073 5.151 6.746 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.124 2.977 7.998 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -12.529 3.327 8.634 1.00 0.00 H new ATOM 0 HE ARG B 5 -13.455 4.856 10.139 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -15.797 3.971 7.649 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -17.145 4.763 8.472 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -15.192 5.871 11.190 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -16.804 5.834 10.468 1.00 0.00 H new ATOM 2362 N HIS B 6 -10.703 1.981 4.204 1.00 0.00 N ATOM 2363 CA HIS B 6 -10.502 0.756 3.438 1.00 0.00 C ATOM 2364 C HIS B 6 -9.216 0.831 2.621 1.00 0.00 C ATOM 2365 O HIS B 6 -8.996 1.788 1.878 1.00 0.00 O ATOM 2366 CB HIS B 6 -11.694 0.507 2.513 1.00 0.00 C ATOM 2367 CG HIS B 6 -11.902 1.588 1.498 1.00 0.00 C ATOM 2368 ND1 HIS B 6 -11.586 1.439 0.164 1.00 0.00 N ATOM 2369 CD2 HIS B 6 -12.398 2.841 1.628 1.00 0.00 C ATOM 2370 CE1 HIS B 6 -11.877 2.554 -0.482 1.00 0.00 C ATOM 2371 NE2 HIS B 6 -12.372 3.420 0.383 1.00 0.00 N ATOM 0 H HIS B 6 -10.597 2.839 3.663 1.00 0.00 H new ATOM 0 HA HIS B 6 -10.417 -0.073 4.141 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -11.550 -0.442 1.996 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.597 0.408 3.116 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -12.749 3.300 2.541 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -11.734 2.728 -1.538 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -12.684 4.366 0.162 1.00 0.00 H new ATOM 2380 N PHE B 7 -8.370 -0.184 2.763 1.00 0.00 N ATOM 2381 CA PHE B 7 -7.105 -0.232 2.039 1.00 0.00 C ATOM 2382 C PHE B 7 -7.325 -0.016 0.545 1.00 0.00 C ATOM 2383 O PHE B 7 -8.036 -0.770 -0.119 1.00 0.00 O ATOM 2384 CB PHE B 7 -6.409 -1.574 2.275 1.00 0.00 C ATOM 2385 CG PHE B 7 -4.922 -1.523 2.069 1.00 0.00 C ATOM 2386 CD1 PHE B 7 -4.168 -0.501 2.622 1.00 0.00 C ATOM 2387 CD2 PHE B 7 -4.280 -2.496 1.321 1.00 0.00 C ATOM 2388 CE1 PHE B 7 -2.799 -0.451 2.435 1.00 0.00 C ATOM 2389 CE2 PHE B 7 -2.911 -2.451 1.130 1.00 0.00 C ATOM 2390 CZ PHE B 7 -2.171 -1.427 1.687 1.00 0.00 C ATOM 0 H PHE B 7 -8.538 -0.984 3.373 1.00 0.00 H new ATOM 0 HA PHE B 7 -6.469 0.570 2.414 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -6.616 -1.907 3.292 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -6.835 -2.318 1.603 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -4.655 0.266 3.206 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -4.855 -3.298 0.882 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.222 0.350 2.873 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.421 -3.216 0.546 1.00 0.00 H new ATOM 0 HZ PHE B 7 -1.102 -1.389 1.538 1.00 0.00 H new ATOM 2400 N PRO B 8 -6.701 1.040 0.002 1.00 0.00 N ATOM 2401 CA PRO B 8 -6.812 1.381 -1.419 1.00 0.00 C ATOM 2402 C PRO B 8 -6.098 0.375 -2.315 1.00 0.00 C ATOM 2403 O PRO B 8 -6.624 -0.030 -3.352 1.00 0.00 O ATOM 2404 CB PRO B 8 -6.136 2.751 -1.509 1.00 0.00 C ATOM 2405 CG PRO B 8 -5.187 2.782 -0.361 1.00 0.00 C ATOM 2406 CD PRO B 8 -5.837 1.982 0.734 1.00 0.00 C ATOM 0 HA PRO B 8 -7.848 1.378 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.614 2.873 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.866 3.558 -1.441 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.224 2.353 -0.639 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -4.999 3.806 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.099 1.460 1.343 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.414 2.616 1.407 1.00 0.00 H new ATOM 2414 N CYS B 9 -4.899 -0.026 -1.907 1.00 0.00 N ATOM 2415 CA CYS B 9 -4.113 -0.986 -2.673 1.00 0.00 C ATOM 2416 C CYS B 9 -4.768 -2.363 -2.657 1.00 0.00 C ATOM 2417 O CYS B 9 -5.087 -2.897 -1.595 1.00 0.00 O ATOM 2418 CB CYS B 9 -2.693 -1.077 -2.112 1.00 0.00 C ATOM 2419 SG CYS B 9 -1.794 0.492 -2.119 1.00 0.00 S ATOM 0 H CYS B 9 -4.450 0.299 -1.050 1.00 0.00 H new ATOM 0 HA CYS B 9 -4.067 -0.638 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -2.741 -1.451 -1.089 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -2.131 -1.808 -2.693 1.00 0.00 H new ATOM 0 HG CYS B 9 -0.605 0.313 -1.624 1.00 0.00 H new ATOM 2425 N GLY B 10 -4.968 -2.932 -3.842 1.00 0.00 N ATOM 2426 CA GLY B 10 -5.587 -4.241 -3.941 1.00 0.00 C ATOM 2427 C GLY B 10 -4.584 -5.369 -3.799 1.00 0.00 C ATOM 2428 O GLY B 10 -4.491 -5.996 -2.745 1.00 0.00 O ATOM 0 H GLY B 10 -4.713 -2.510 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -6.350 -4.338 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -6.094 -4.328 -4.902 1.00 0.00 H new ATOM 2432 N ASN B 11 -3.833 -5.628 -4.864 1.00 0.00 N ATOM 2433 CA ASN B 11 -2.834 -6.690 -4.855 1.00 0.00 C ATOM 2434 C ASN B 11 -1.785 -6.440 -3.775 1.00 0.00 C ATOM 2435 O ASN B 11 -1.016 -5.482 -3.852 1.00 0.00 O ATOM 2436 CB ASN B 11 -2.158 -6.796 -6.223 1.00 0.00 C ATOM 2437 CG ASN B 11 -2.922 -7.693 -7.178 1.00 0.00 C ATOM 2438 OD1 ASN B 11 -3.377 -8.774 -6.802 1.00 0.00 O ATOM 2439 ND2 ASN B 11 -3.066 -7.248 -8.420 1.00 0.00 N ATOM 0 H ASN B 11 -3.897 -5.117 -5.744 1.00 0.00 H new ATOM 0 HA ASN B 11 -3.341 -7.629 -4.635 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -2.067 -5.801 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN B 11 -1.147 -7.182 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN B 11 -3.571 -7.808 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN B 11 -2.672 -6.346 -8.687 1.00 0.00 H new ATOM 2446 N VAL B 12 -1.760 -7.309 -2.769 1.00 0.00 N ATOM 2447 CA VAL B 12 -0.805 -7.184 -1.675 1.00 0.00 C ATOM 2448 C VAL B 12 -0.147 -8.524 -1.363 1.00 0.00 C ATOM 2449 O VAL B 12 -0.729 -9.582 -1.599 1.00 0.00 O ATOM 2450 CB VAL B 12 -1.481 -6.647 -0.399 1.00 0.00 C ATOM 2451 CG1 VAL B 12 -2.506 -7.643 0.121 1.00 0.00 C ATOM 2452 CG2 VAL B 12 -0.439 -6.337 0.665 1.00 0.00 C ATOM 0 H VAL B 12 -2.390 -8.107 -2.689 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.043 -6.476 -2.000 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.002 -5.722 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.973 -7.247 1.023 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.269 -7.811 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.012 -8.586 0.353 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.934 -5.959 1.560 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.111 -7.245 0.911 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.253 -5.585 0.288 1.00 0.00 H new ATOM 2462 N ASN B 13 1.070 -8.470 -0.832 1.00 0.00 N ATOM 2463 CA ASN B 13 1.807 -9.680 -0.488 1.00 0.00 C ATOM 2464 C ASN B 13 2.370 -9.590 0.928 1.00 0.00 C ATOM 2465 O ASN B 13 3.550 -9.294 1.120 1.00 0.00 O ATOM 2466 CB ASN B 13 2.943 -9.911 -1.486 1.00 0.00 C ATOM 2467 CG ASN B 13 4.050 -10.775 -0.913 1.00 0.00 C ATOM 2468 OD1 ASN B 13 3.835 -11.942 -0.586 1.00 0.00 O ATOM 2469 ND2 ASN B 13 5.242 -10.204 -0.789 1.00 0.00 N ATOM 0 H ASN B 13 1.566 -7.602 -0.631 1.00 0.00 H new ATOM 0 HA ASN B 13 1.116 -10.522 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.544 -10.384 -2.383 1.00 0.00 H new ATOM 0 HB3 ASN B 13 3.357 -8.950 -1.790 1.00 0.00 H new ATOM 0 HD21 ASN B 13 6.025 -10.736 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN B 13 5.375 -9.233 -1.073 1.00 0.00 H new ATOM 2476 N TYR B 14 1.518 -9.848 1.914 1.00 0.00 N ATOM 2477 CA TYR B 14 1.929 -9.794 3.312 1.00 0.00 C ATOM 2478 C TYR B 14 3.347 -10.332 3.484 1.00 0.00 C ATOM 2479 O TYR B 14 3.754 -11.272 2.802 1.00 0.00 O ATOM 2480 CB TYR B 14 0.959 -10.595 4.182 1.00 0.00 C ATOM 2481 CG TYR B 14 -0.496 -10.296 3.899 1.00 0.00 C ATOM 2482 CD1 TYR B 14 -1.050 -9.066 4.231 1.00 0.00 C ATOM 2483 CD2 TYR B 14 -1.316 -11.243 3.299 1.00 0.00 C ATOM 2484 CE1 TYR B 14 -2.379 -8.788 3.975 1.00 0.00 C ATOM 2485 CE2 TYR B 14 -2.646 -10.974 3.038 1.00 0.00 C ATOM 2486 CZ TYR B 14 -3.173 -9.745 3.378 1.00 0.00 C ATOM 2487 OH TYR B 14 -4.496 -9.472 3.120 1.00 0.00 O ATOM 0 H TYR B 14 0.539 -10.096 1.771 1.00 0.00 H new ATOM 0 HA TYR B 14 1.914 -8.751 3.629 1.00 0.00 H new ATOM 0 HB2 TYR B 14 1.139 -11.659 4.028 1.00 0.00 H new ATOM 0 HB3 TYR B 14 1.167 -10.385 5.231 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.431 -8.314 4.697 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -0.907 -12.206 3.032 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -2.794 -7.827 4.241 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.270 -11.722 2.570 1.00 0.00 H new ATOM 0 HH TYR B 14 -4.914 -10.250 2.696 1.00 0.00 H new ATOM 2497 N GLY B 15 4.095 -9.728 4.403 1.00 0.00 N ATOM 2498 CA GLY B 15 5.458 -10.159 4.650 1.00 0.00 C ATOM 2499 C GLY B 15 5.605 -10.889 5.970 1.00 0.00 C ATOM 2500 O GLY B 15 5.267 -12.068 6.076 1.00 0.00 O ATOM 0 H GLY B 15 3.781 -8.948 4.980 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.782 -10.812 3.839 1.00 0.00 H new ATOM 0 HA3 GLY B 15 6.117 -9.291 4.643 1.00 0.00 H new