USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 85 HIS : no HD1:sc= 0 X(o=0.19,f=0.18) USER MOD Set 1.2: A 111 ASN : amide:sc= 0.185 X(o=0.19,f=-0.21) USER MOD Set 2.1: A 87 THR OG1 : rot -116:sc= 0.469 USER MOD Set 2.2: A 109 HIS : no HD1:sc= -1.66 K(o=-1.2,f=-3.1) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 TYR OH : rot 180:sc= -0.0719 USER MOD Set 4.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 17 HIS : no HD1:sc= 0 X(o=-0.15,f=-0.32) USER MOD Set 5.2: A 20 LYS NZ :NH3+ -131:sc= -0.148 (180deg=-0.723) USER MOD Single : A 10 ASN : amide:sc= -6.81! K(o=-6.8!,f=-2.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 21:sc= 0.195 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 22 THR OG1 : rot 50:sc= 0.264 USER MOD Single : A 25 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-6.8!) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -0.988 (180deg=-3.31!) USER MOD Single : A 29 ASN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 35 MET CE :methyl 142:sc= -2.11 (180deg=-4.46!) USER MOD Single : A 37 THR OG1 : rot 100:sc= 0.00637 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 56:sc= -1.92! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= -0.106 (180deg=-1.03) USER MOD Single : A 82 LYS NZ :NH3+ -130:sc= 1.1 (180deg=-0.135) USER MOD Single : A 86 HIS : no HD1:sc= -7.4! C(o=-7.4!,f=-12!) USER MOD Single : A 92 TYR OH : rot -92:sc= 0.202 USER MOD Single : A 93 THR OG1 : rot 43:sc= -1.79 USER MOD Single : A 103 ASN : amide:sc= -9.71! C(o=-9.7!,f=-5.2!) USER MOD Single : A 106 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.905 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.127 -8.333 12.787 1.00 0.00 N ATOM 180 CA ASN A 10 0.054 -7.538 11.583 1.00 0.00 C ATOM 181 C ASN A 10 1.474 -7.008 11.459 1.00 0.00 C ATOM 182 O ASN A 10 2.327 -7.631 10.825 1.00 0.00 O ATOM 183 CB ASN A 10 -0.928 -6.371 11.579 1.00 0.00 C ATOM 184 CG ASN A 10 -1.438 -6.017 12.964 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.403 -6.603 13.453 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.792 -5.042 13.599 1.00 0.00 N ATOM 0 HA ASN A 10 -0.136 -8.189 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.443 -5.498 11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.775 -6.619 10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.093 -4.753 14.530 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.004 -4.584 13.155 1.00 0.00 H new ATOM 193 N ASP A 11 1.704 -5.849 12.063 1.00 0.00 N ATOM 194 CA ASP A 11 3.000 -5.189 12.039 1.00 0.00 C ATOM 195 C ASP A 11 4.145 -6.192 12.056 1.00 0.00 C ATOM 196 O ASP A 11 4.497 -6.741 13.099 1.00 0.00 O ATOM 197 CB ASP A 11 3.121 -4.232 13.225 1.00 0.00 C ATOM 198 CG ASP A 11 2.486 -4.786 14.486 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.023 -5.767 15.041 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.452 -4.237 14.920 1.00 0.00 O ATOM 0 H ASP A 11 0.992 -5.339 12.586 1.00 0.00 H new ATOM 0 HA ASP A 11 3.069 -4.625 11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.174 -4.024 13.414 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.649 -3.283 12.971 1.00 0.00 H new ATOM 205 N LYS A 12 4.708 -6.433 10.880 1.00 0.00 N ATOM 206 CA LYS A 12 5.820 -7.359 10.734 1.00 0.00 C ATOM 207 C LYS A 12 7.150 -6.628 10.906 1.00 0.00 C ATOM 208 O LYS A 12 7.634 -5.964 9.988 1.00 0.00 O ATOM 209 CB LYS A 12 5.755 -8.044 9.367 1.00 0.00 C ATOM 210 CG LYS A 12 7.051 -8.721 8.963 1.00 0.00 C ATOM 211 CD LYS A 12 6.896 -9.500 7.668 1.00 0.00 C ATOM 212 CE LYS A 12 8.226 -10.062 7.198 1.00 0.00 C ATOM 213 NZ LYS A 12 8.084 -10.851 5.943 1.00 0.00 N ATOM 0 H LYS A 12 4.409 -5.996 10.008 1.00 0.00 H new ATOM 0 HA LYS A 12 5.747 -8.121 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.956 -8.786 9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.491 -7.304 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.833 -7.971 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.373 -9.395 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.186 -10.314 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.481 -8.850 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.928 -9.244 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.649 -10.695 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.014 -11.217 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.434 -11.646 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.705 -10.241 5.191 1.00 0.00 H new ATOM 227 N TRP A 13 7.727 -6.752 12.094 1.00 0.00 N ATOM 228 CA TRP A 13 8.991 -6.110 12.418 1.00 0.00 C ATOM 229 C TRP A 13 10.163 -6.936 11.899 1.00 0.00 C ATOM 230 O TRP A 13 10.499 -7.974 12.470 1.00 0.00 O ATOM 231 CB TRP A 13 9.082 -5.925 13.935 1.00 0.00 C ATOM 232 CG TRP A 13 7.750 -5.614 14.560 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.783 -6.513 14.909 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.234 -4.320 14.899 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.692 -5.858 15.425 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.943 -4.512 15.434 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.733 -3.019 14.801 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.146 -3.450 15.863 1.00 0.00 C ATOM 239 CZ3 TRP A 13 6.943 -1.967 15.232 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.663 -2.188 15.755 1.00 0.00 C ATOM 0 H TRP A 13 7.332 -7.300 12.858 1.00 0.00 H new ATOM 0 HA TRP A 13 9.038 -5.134 11.934 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.487 -6.832 14.384 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.781 -5.119 14.158 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.865 -7.584 14.796 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.833 -6.302 15.749 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.718 -2.837 14.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.158 -3.618 16.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.321 -0.958 15.164 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.072 -1.345 16.080 1.00 0.00 H new ATOM 251 N VAL A 14 10.787 -6.476 10.810 1.00 0.00 N ATOM 252 CA VAL A 14 11.911 -7.209 10.229 1.00 0.00 C ATOM 253 C VAL A 14 12.836 -6.291 9.443 1.00 0.00 C ATOM 254 O VAL A 14 12.625 -5.084 9.378 1.00 0.00 O ATOM 255 CB VAL A 14 11.410 -8.349 9.312 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.012 -7.815 7.943 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.445 -9.458 9.188 1.00 0.00 C ATOM 0 H VAL A 14 10.538 -5.616 10.322 1.00 0.00 H new ATOM 0 HA VAL A 14 12.475 -7.636 11.058 1.00 0.00 H new ATOM 0 HB VAL A 14 10.522 -8.779 9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.664 -8.638 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.213 -7.082 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.874 -7.342 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.061 -10.243 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.364 -9.052 8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.653 -9.874 10.174 1.00 0.00 H new ATOM 267 N ASP A 15 13.865 -6.890 8.863 1.00 0.00 N ATOM 268 CA ASP A 15 14.854 -6.169 8.074 1.00 0.00 C ATOM 269 C ASP A 15 14.576 -6.336 6.580 1.00 0.00 C ATOM 270 O ASP A 15 13.582 -6.952 6.197 1.00 0.00 O ATOM 271 CB ASP A 15 16.246 -6.695 8.414 1.00 0.00 C ATOM 272 CG ASP A 15 16.837 -6.028 9.639 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.409 -6.366 10.763 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.727 -5.168 9.477 1.00 0.00 O ATOM 0 H ASP A 15 14.039 -7.893 8.926 1.00 0.00 H new ATOM 0 HA ASP A 15 14.797 -5.107 8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.193 -7.771 8.580 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.908 -6.536 7.563 1.00 0.00 H new ATOM 279 N THR A 16 15.455 -5.791 5.737 1.00 0.00 N ATOM 280 CA THR A 16 15.271 -5.895 4.290 1.00 0.00 C ATOM 281 C THR A 16 16.460 -5.330 3.515 1.00 0.00 C ATOM 282 O THR A 16 17.477 -4.949 4.096 1.00 0.00 O ATOM 283 CB THR A 16 13.994 -5.156 3.843 1.00 0.00 C ATOM 284 OG1 THR A 16 13.542 -5.672 2.586 1.00 0.00 O ATOM 285 CG2 THR A 16 14.241 -3.660 3.719 1.00 0.00 C ATOM 0 H THR A 16 16.289 -5.280 6.026 1.00 0.00 H new ATOM 0 HA THR A 16 15.183 -6.959 4.068 1.00 0.00 H new ATOM 0 HB THR A 16 13.229 -5.319 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.916 -6.567 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.323 -3.165 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.554 -3.262 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.023 -3.480 2.982 1.00 0.00 H new ATOM 293 N HIS A 17 16.312 -5.285 2.192 1.00 0.00 N ATOM 294 CA HIS A 17 17.347 -4.761 1.307 1.00 0.00 C ATOM 295 C HIS A 17 16.850 -3.498 0.608 1.00 0.00 C ATOM 296 O HIS A 17 15.805 -2.960 0.967 1.00 0.00 O ATOM 297 CB HIS A 17 17.744 -5.816 0.275 1.00 0.00 C ATOM 298 CG HIS A 17 18.815 -6.748 0.751 1.00 0.00 C ATOM 299 ND1 HIS A 17 20.131 -6.649 0.349 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.760 -7.803 1.599 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.838 -7.604 0.928 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.030 -8.316 1.691 1.00 0.00 N ATOM 0 H HIS A 17 15.475 -5.609 1.707 1.00 0.00 H new ATOM 0 HA HIS A 17 18.224 -4.510 1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.862 -6.397 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.086 -5.315 -0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.881 -8.172 2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.897 -7.773 0.799 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.305 -9.118 2.258 1.00 0.00 H new ATOM 311 N VAL A 18 17.588 -3.033 -0.394 1.00 0.00 N ATOM 312 CA VAL A 18 17.206 -1.821 -1.116 1.00 0.00 C ATOM 313 C VAL A 18 16.304 -2.129 -2.308 1.00 0.00 C ATOM 314 O VAL A 18 16.620 -2.978 -3.142 1.00 0.00 O ATOM 315 CB VAL A 18 18.438 -1.037 -1.607 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.012 0.262 -2.278 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.391 -0.762 -0.453 1.00 0.00 C ATOM 0 H VAL A 18 18.448 -3.471 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 18 16.654 -1.207 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 18 18.963 -1.645 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.895 0.802 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.372 0.038 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.463 0.877 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.255 -0.207 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.879 -0.175 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.722 -1.707 -0.022 1.00 0.00 H new ATOM 327 N GLY A 19 15.178 -1.423 -2.372 1.00 0.00 N ATOM 328 CA GLY A 19 14.229 -1.600 -3.457 1.00 0.00 C ATOM 329 C GLY A 19 13.702 -3.013 -3.573 1.00 0.00 C ATOM 330 O GLY A 19 13.139 -3.380 -4.604 1.00 0.00 O ATOM 0 H GLY A 19 14.904 -0.723 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.391 -0.919 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.707 -1.321 -4.396 1.00 0.00 H new ATOM 334 N LYS A 20 13.887 -3.816 -2.529 1.00 0.00 N ATOM 335 CA LYS A 20 13.396 -5.185 -2.542 1.00 0.00 C ATOM 336 C LYS A 20 11.875 -5.178 -2.632 1.00 0.00 C ATOM 337 O LYS A 20 11.179 -5.244 -1.619 1.00 0.00 O ATOM 338 CB LYS A 20 13.855 -5.936 -1.293 1.00 0.00 C ATOM 339 CG LYS A 20 14.312 -7.351 -1.575 1.00 0.00 C ATOM 340 CD LYS A 20 15.707 -7.345 -2.154 1.00 0.00 C ATOM 341 CE LYS A 20 16.357 -8.717 -2.077 1.00 0.00 C ATOM 342 NZ LYS A 20 16.465 -9.203 -0.673 1.00 0.00 N ATOM 0 H LYS A 20 14.369 -3.543 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 20 13.804 -5.700 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.671 -5.385 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.037 -5.963 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.295 -7.936 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.624 -7.831 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.667 -7.020 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.320 -6.622 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.775 -9.428 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.350 -8.674 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.433 -9.539 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.243 -8.426 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.795 -9.984 -0.523 1.00 0.00 H new ATOM 356 N THR A 21 11.375 -5.080 -3.860 1.00 0.00 N ATOM 357 CA THR A 21 9.941 -5.034 -4.111 1.00 0.00 C ATOM 358 C THR A 21 9.195 -6.122 -3.353 1.00 0.00 C ATOM 359 O THR A 21 9.188 -7.285 -3.757 1.00 0.00 O ATOM 360 CB THR A 21 9.631 -5.170 -5.611 1.00 0.00 C ATOM 361 OG1 THR A 21 10.539 -4.368 -6.376 1.00 0.00 O ATOM 362 CG2 THR A 21 8.201 -4.739 -5.903 1.00 0.00 C ATOM 0 H THR A 21 11.948 -5.031 -4.702 1.00 0.00 H new ATOM 0 HA THR A 21 9.600 -4.061 -3.756 1.00 0.00 H new ATOM 0 HB THR A 21 9.748 -6.217 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.335 -4.462 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.000 -4.842 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.510 -5.367 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.067 -3.698 -5.608 1.00 0.00 H new ATOM 370 N THR A 22 8.570 -5.734 -2.248 1.00 0.00 N ATOM 371 CA THR A 22 7.804 -6.668 -1.436 1.00 0.00 C ATOM 372 C THR A 22 6.331 -6.603 -1.807 1.00 0.00 C ATOM 373 O THR A 22 5.608 -5.698 -1.386 1.00 0.00 O ATOM 374 CB THR A 22 7.978 -6.383 0.071 1.00 0.00 C ATOM 375 OG1 THR A 22 9.338 -6.606 0.457 1.00 0.00 O ATOM 376 CG2 THR A 22 7.059 -7.261 0.910 1.00 0.00 C ATOM 0 H THR A 22 8.579 -4.777 -1.894 1.00 0.00 H new ATOM 0 HA THR A 22 8.184 -7.670 -1.637 1.00 0.00 H new ATOM 0 HB THR A 22 7.712 -5.341 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.935 -6.128 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.206 -7.036 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.022 -7.066 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.291 -8.310 0.727 1.00 0.00 H new ATOM 384 N GLU A 23 5.907 -7.563 -2.621 1.00 0.00 N ATOM 385 CA GLU A 23 4.537 -7.646 -3.079 1.00 0.00 C ATOM 386 C GLU A 23 3.648 -8.312 -2.043 1.00 0.00 C ATOM 387 O GLU A 23 3.980 -9.371 -1.510 1.00 0.00 O ATOM 388 CB GLU A 23 4.492 -8.432 -4.381 1.00 0.00 C ATOM 389 CG GLU A 23 3.122 -8.452 -5.022 1.00 0.00 C ATOM 390 CD GLU A 23 3.145 -9.015 -6.430 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.317 -10.244 -6.575 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.990 -8.227 -7.387 1.00 0.00 O ATOM 0 H GLU A 23 6.509 -8.304 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 23 4.163 -6.635 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.207 -8.001 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.811 -9.457 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.446 -9.047 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.722 -7.439 -5.046 1.00 0.00 H new ATOM 399 N ILE A 24 2.516 -7.684 -1.763 1.00 0.00 N ATOM 400 CA ILE A 24 1.574 -8.214 -0.794 1.00 0.00 C ATOM 401 C ILE A 24 0.138 -8.067 -1.266 1.00 0.00 C ATOM 402 O ILE A 24 -0.428 -6.974 -1.233 1.00 0.00 O ATOM 403 CB ILE A 24 1.715 -7.505 0.559 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.168 -7.550 1.031 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.786 -8.140 1.585 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.401 -6.871 2.363 1.00 0.00 C ATOM 0 H ILE A 24 2.229 -6.806 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 24 1.809 -9.273 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 24 1.429 -6.460 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.484 -8.591 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.799 -7.078 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.895 -7.628 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.246 -8.055 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.042 -9.193 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.455 -6.945 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.118 -5.821 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.798 -7.357 3.130 1.00 0.00 H new ATOM 418 N HIS A 25 -0.436 -9.171 -1.715 1.00 0.00 N ATOM 419 CA HIS A 25 -1.817 -9.181 -2.161 1.00 0.00 C ATOM 420 C HIS A 25 -2.731 -9.395 -0.965 1.00 0.00 C ATOM 421 O HIS A 25 -2.812 -10.496 -0.421 1.00 0.00 O ATOM 422 CB HIS A 25 -2.049 -10.287 -3.185 1.00 0.00 C ATOM 423 CG HIS A 25 -0.862 -10.577 -4.049 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.182 -11.776 -4.017 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.241 -9.821 -4.984 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.805 -11.744 -4.894 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.790 -10.569 -5.496 1.00 0.00 N ATOM 0 H HIS A 25 0.035 -10.073 -1.780 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.038 -8.223 -2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.335 -11.199 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.889 -10.008 -3.821 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.406 -12.565 -3.410 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.507 -8.815 -5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.505 -12.543 -5.086 1.00 0.00 H new ATOM 436 N LEU A 26 -3.416 -8.339 -0.561 1.00 0.00 N ATOM 437 CA LEU A 26 -4.315 -8.407 0.580 1.00 0.00 C ATOM 438 C LEU A 26 -5.756 -8.443 0.108 1.00 0.00 C ATOM 439 O LEU A 26 -6.106 -7.801 -0.876 1.00 0.00 O ATOM 440 CB LEU A 26 -4.108 -7.199 1.492 1.00 0.00 C ATOM 441 CG LEU A 26 -2.658 -6.922 1.902 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.463 -5.442 2.191 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.274 -7.753 3.119 1.00 0.00 C ATOM 0 H LEU A 26 -3.367 -7.423 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.095 -9.317 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.500 -6.315 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.701 -7.342 2.395 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.008 -7.205 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.428 -5.261 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.696 -4.863 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.125 -5.139 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.241 -7.541 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.930 -7.502 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.377 -8.812 2.883 1.00 0.00 H new ATOM 455 N LYS A 27 -6.590 -9.189 0.806 1.00 0.00 N ATOM 456 CA LYS A 27 -7.993 -9.288 0.438 1.00 0.00 C ATOM 457 C LYS A 27 -8.830 -8.324 1.260 1.00 0.00 C ATOM 458 O LYS A 27 -8.391 -7.831 2.300 1.00 0.00 O ATOM 459 CB LYS A 27 -8.493 -10.716 0.617 1.00 0.00 C ATOM 460 CG LYS A 27 -7.670 -11.739 -0.150 1.00 0.00 C ATOM 461 CD LYS A 27 -7.799 -13.133 0.444 1.00 0.00 C ATOM 462 CE LYS A 27 -9.144 -13.768 0.121 1.00 0.00 C ATOM 463 NZ LYS A 27 -10.267 -13.106 0.841 1.00 0.00 N ATOM 0 H LYS A 27 -6.325 -9.733 1.627 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.092 -9.018 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.479 -10.969 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.531 -10.775 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.992 -11.757 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.622 -11.438 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.998 -13.766 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.674 -13.079 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.321 -13.713 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.118 -14.825 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.958 -13.823 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.899 -12.610 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.730 -12.422 0.209 1.00 0.00 H new ATOM 477 N GLY A 28 -10.040 -8.065 0.790 1.00 0.00 N ATOM 478 CA GLY A 28 -10.923 -7.145 1.478 1.00 0.00 C ATOM 479 C GLY A 28 -11.985 -6.571 0.560 1.00 0.00 C ATOM 480 O GLY A 28 -12.290 -7.150 -0.482 1.00 0.00 O ATOM 0 H GLY A 28 -10.428 -8.477 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.404 -7.660 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.336 -6.331 1.904 1.00 0.00 H new ATOM 484 N ASN A 29 -12.550 -5.429 0.947 1.00 0.00 N ATOM 485 CA ASN A 29 -13.581 -4.776 0.148 1.00 0.00 C ATOM 486 C ASN A 29 -13.918 -3.397 0.722 1.00 0.00 C ATOM 487 O ASN A 29 -14.074 -3.246 1.933 1.00 0.00 O ATOM 488 CB ASN A 29 -14.841 -5.642 0.096 1.00 0.00 C ATOM 489 CG ASN A 29 -15.808 -5.191 -0.980 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.781 -5.692 -2.104 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.664 -4.235 -0.642 1.00 0.00 N ATOM 0 H ASN A 29 -12.310 -4.938 1.808 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.197 -4.647 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.559 -6.679 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.340 -5.612 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.336 -3.887 -1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.650 -3.849 0.302 1.00 0.00 H new ATOM 547 N TYR A 34 -13.672 -1.663 5.291 1.00 0.00 N ATOM 548 CA TYR A 34 -12.682 -0.596 5.210 1.00 0.00 C ATOM 549 C TYR A 34 -11.776 -0.783 3.993 1.00 0.00 C ATOM 550 O TYR A 34 -12.043 -1.616 3.125 1.00 0.00 O ATOM 551 CB TYR A 34 -11.824 -0.565 6.484 1.00 0.00 C ATOM 552 CG TYR A 34 -12.606 -0.440 7.781 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.604 -1.351 8.113 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.337 0.588 8.679 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.309 -1.241 9.295 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.040 0.704 9.863 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.025 -0.212 10.166 1.00 0.00 C ATOM 558 OH TYR A 34 -14.725 -0.099 11.345 1.00 0.00 O ATOM 0 HA TYR A 34 -13.217 0.349 5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.226 -1.476 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.128 0.271 6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.831 -2.159 7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.566 1.307 8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.080 -1.958 9.536 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.819 1.509 10.548 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.401 0.679 11.845 1.00 0.00 H new ATOM 568 N MET A 35 -10.706 0.002 3.943 1.00 0.00 N ATOM 569 CA MET A 35 -9.739 -0.057 2.866 1.00 0.00 C ATOM 570 C MET A 35 -8.380 -0.457 3.413 1.00 0.00 C ATOM 571 O MET A 35 -8.068 -0.193 4.571 1.00 0.00 O ATOM 572 CB MET A 35 -9.613 1.308 2.185 1.00 0.00 C ATOM 573 CG MET A 35 -8.263 1.520 1.519 1.00 0.00 C ATOM 574 SD MET A 35 -8.047 3.181 0.851 1.00 0.00 S ATOM 575 CE MET A 35 -9.198 3.156 -0.522 1.00 0.00 C ATOM 0 H MET A 35 -10.488 0.699 4.655 1.00 0.00 H new ATOM 0 HA MET A 35 -10.080 -0.795 2.140 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.400 1.408 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.774 2.092 2.924 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.473 1.322 2.244 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.145 0.795 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.688 4.126 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.659 2.943 -1.445 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.948 2.383 -0.354 1.00 0.00 H new ATOM 585 N TRP A 36 -7.574 -1.076 2.572 1.00 0.00 N ATOM 586 CA TRP A 36 -6.240 -1.483 2.967 1.00 0.00 C ATOM 587 C TRP A 36 -5.199 -0.656 2.229 1.00 0.00 C ATOM 588 O TRP A 36 -4.759 -1.020 1.139 1.00 0.00 O ATOM 589 CB TRP A 36 -6.027 -2.959 2.680 1.00 0.00 C ATOM 590 CG TRP A 36 -6.255 -3.841 3.865 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.190 -4.829 3.987 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.538 -3.812 5.100 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.097 -5.414 5.226 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.090 -4.806 5.928 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.481 -3.040 5.585 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.621 -5.047 7.215 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.016 -3.279 6.860 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.585 -4.275 7.663 1.00 0.00 C ATOM 0 H TRP A 36 -7.820 -1.308 1.610 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.132 -1.316 4.039 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.698 -3.264 1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.009 -3.107 2.319 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.898 -5.109 3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.682 -6.176 5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.036 -2.270 4.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.058 -5.814 7.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.199 -2.688 7.246 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.197 -4.437 8.658 1.00 0.00 H new ATOM 609 N THR A 37 -4.817 0.464 2.827 1.00 0.00 N ATOM 610 CA THR A 37 -3.833 1.351 2.220 1.00 0.00 C ATOM 611 C THR A 37 -2.796 1.779 3.264 1.00 0.00 C ATOM 612 O THR A 37 -2.724 1.182 4.337 1.00 0.00 O ATOM 613 CB THR A 37 -4.513 2.591 1.610 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.565 3.352 0.853 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.113 3.459 2.699 1.00 0.00 C ATOM 0 H THR A 37 -5.172 0.780 3.730 1.00 0.00 H new ATOM 0 HA THR A 37 -3.331 0.808 1.419 1.00 0.00 H new ATOM 0 HB THR A 37 -5.312 2.254 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.670 3.150 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.589 4.330 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.856 2.886 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.326 3.786 3.379 1.00 0.00 H new ATOM 623 N ARG A 38 -1.998 2.805 2.964 1.00 0.00 N ATOM 624 CA ARG A 38 -0.985 3.267 3.910 1.00 0.00 C ATOM 625 C ARG A 38 -1.547 4.354 4.825 1.00 0.00 C ATOM 626 O ARG A 38 -2.496 5.050 4.467 1.00 0.00 O ATOM 627 CB ARG A 38 0.258 3.775 3.172 1.00 0.00 C ATOM 628 CG ARG A 38 1.350 2.742 3.030 1.00 0.00 C ATOM 629 CD ARG A 38 2.425 3.198 2.057 1.00 0.00 C ATOM 630 NE ARG A 38 2.874 4.567 2.290 1.00 0.00 N ATOM 631 CZ ARG A 38 4.071 4.865 2.794 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.884 3.898 3.195 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.455 6.128 2.900 1.00 0.00 N ATOM 0 H ARG A 38 -2.033 3.324 2.087 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.693 2.419 4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.035 4.118 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.656 4.640 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.798 2.549 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.920 1.802 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.280 2.526 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.042 3.117 1.040 1.00 0.00 H new ATOM 0 HE ARG A 38 2.241 5.332 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.594 2.923 3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.800 4.129 3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.834 6.877 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.372 6.351 3.286 1.00 0.00 H new ATOM 647 N VAL A 39 -0.952 4.490 6.010 1.00 0.00 N ATOM 648 CA VAL A 39 -1.400 5.478 6.989 1.00 0.00 C ATOM 649 C VAL A 39 -0.985 6.890 6.588 1.00 0.00 C ATOM 650 O VAL A 39 0.167 7.130 6.230 1.00 0.00 O ATOM 651 CB VAL A 39 -0.833 5.174 8.390 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.416 6.129 9.422 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.100 3.727 8.782 1.00 0.00 C ATOM 0 H VAL A 39 -0.158 3.927 6.315 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.488 5.418 7.017 1.00 0.00 H new ATOM 0 HB VAL A 39 0.247 5.320 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.004 5.899 10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.162 7.154 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.500 6.019 9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.690 3.537 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.175 3.545 8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.626 3.061 8.061 1.00 0.00 H new ATOM 663 N GLY A 40 -1.930 7.822 6.666 1.00 0.00 N ATOM 664 CA GLY A 40 -1.646 9.201 6.309 1.00 0.00 C ATOM 665 C GLY A 40 -1.735 9.439 4.816 1.00 0.00 C ATOM 666 O GLY A 40 -1.439 10.533 4.334 1.00 0.00 O ATOM 0 H GLY A 40 -2.888 7.647 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.348 9.859 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.648 9.466 6.658 1.00 0.00 H new ATOM 670 N PHE A 41 -2.145 8.410 4.084 1.00 0.00 N ATOM 671 CA PHE A 41 -2.275 8.497 2.636 1.00 0.00 C ATOM 672 C PHE A 41 -3.630 7.975 2.192 1.00 0.00 C ATOM 673 O PHE A 41 -3.952 7.969 1.004 1.00 0.00 O ATOM 674 CB PHE A 41 -1.159 7.702 1.967 1.00 0.00 C ATOM 675 CG PHE A 41 0.199 8.088 2.469 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.804 9.257 2.044 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.859 7.286 3.381 1.00 0.00 C ATOM 678 CE1 PHE A 41 2.049 9.621 2.521 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.103 7.641 3.861 1.00 0.00 C ATOM 680 CZ PHE A 41 2.700 8.810 3.430 1.00 0.00 C ATOM 0 H PHE A 41 -2.394 7.501 4.473 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.194 9.543 2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.319 6.638 2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.202 7.857 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.298 9.892 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.396 6.372 3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.512 10.537 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.609 7.006 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.674 9.089 3.803 1.00 0.00 H new ATOM 690 N VAL A 42 -4.413 7.527 3.162 1.00 0.00 N ATOM 691 CA VAL A 42 -5.744 7.005 2.896 1.00 0.00 C ATOM 692 C VAL A 42 -6.581 8.011 2.114 1.00 0.00 C ATOM 693 O VAL A 42 -6.839 9.119 2.584 1.00 0.00 O ATOM 694 CB VAL A 42 -6.466 6.649 4.206 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.763 5.914 3.912 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.551 5.832 5.104 1.00 0.00 C ATOM 0 H VAL A 42 -4.147 7.515 4.147 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.625 6.102 2.297 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.719 7.568 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.263 5.669 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.413 6.549 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.545 4.996 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.073 5.586 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.266 4.913 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.657 6.411 5.336 1.00 0.00 H new ATOM 706 N GLY A 43 -7.001 7.615 0.917 1.00 0.00 N ATOM 707 CA GLY A 43 -7.796 8.495 0.080 1.00 0.00 C ATOM 708 C GLY A 43 -6.952 9.204 -0.960 1.00 0.00 C ATOM 709 O GLY A 43 -7.441 9.556 -2.033 1.00 0.00 O ATOM 0 H GLY A 43 -6.805 6.700 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.574 7.917 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.298 9.234 0.705 1.00 0.00 H new ATOM 763 N LEU A 47 0.802 6.626 -1.984 1.00 0.00 N ATOM 764 CA LEU A 47 1.101 6.438 -0.573 1.00 0.00 C ATOM 765 C LEU A 47 2.575 6.716 -0.312 1.00 0.00 C ATOM 766 O LEU A 47 2.929 7.490 0.576 1.00 0.00 O ATOM 767 CB LEU A 47 0.747 5.015 -0.148 1.00 0.00 C ATOM 768 CG LEU A 47 -0.511 4.432 -0.798 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.720 2.989 -0.360 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.733 5.273 -0.462 1.00 0.00 C ATOM 0 HA LEU A 47 0.503 7.136 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.590 4.364 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.618 4.998 0.934 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.373 4.448 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.619 2.592 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.141 2.390 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.832 2.950 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.614 4.839 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.874 5.294 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.587 6.289 -0.829 1.00 0.00 H new ATOM 782 N SER A 48 3.425 6.063 -1.095 1.00 0.00 N ATOM 783 CA SER A 48 4.870 6.229 -0.999 1.00 0.00 C ATOM 784 C SER A 48 5.275 7.701 -1.094 1.00 0.00 C ATOM 785 O SER A 48 4.426 8.582 -1.236 1.00 0.00 O ATOM 786 CB SER A 48 5.539 5.446 -2.122 1.00 0.00 C ATOM 787 OG SER A 48 5.316 6.061 -3.379 1.00 0.00 O ATOM 0 H SER A 48 3.132 5.403 -1.815 1.00 0.00 H new ATOM 0 HA SER A 48 5.193 5.853 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.610 5.377 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.152 4.427 -2.139 1.00 0.00 H new ATOM 0 HG SER A 48 5.757 5.539 -4.081 1.00 0.00 H new ATOM 793 N ASP A 49 6.582 7.957 -1.031 1.00 0.00 N ATOM 794 CA ASP A 49 7.099 9.321 -1.107 1.00 0.00 C ATOM 795 C ASP A 49 8.552 9.337 -1.569 1.00 0.00 C ATOM 796 O ASP A 49 8.835 9.395 -2.766 1.00 0.00 O ATOM 797 CB ASP A 49 6.986 10.020 0.250 1.00 0.00 C ATOM 798 CG ASP A 49 5.560 10.402 0.594 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.125 11.500 0.186 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.879 9.605 1.271 1.00 0.00 O ATOM 0 H ASP A 49 7.299 7.239 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 49 6.495 9.858 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.379 9.364 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.607 10.916 0.246 1.00 0.00 H new ATOM 805 N GLU A 50 9.468 9.286 -0.608 1.00 0.00 N ATOM 806 CA GLU A 50 10.893 9.307 -0.899 1.00 0.00 C ATOM 807 C GLU A 50 11.611 8.157 -0.202 1.00 0.00 C ATOM 808 O GLU A 50 12.619 7.649 -0.695 1.00 0.00 O ATOM 809 CB GLU A 50 11.478 10.642 -0.446 1.00 0.00 C ATOM 810 CG GLU A 50 11.410 10.852 1.058 1.00 0.00 C ATOM 811 CD GLU A 50 11.990 12.186 1.488 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.230 13.176 1.534 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.203 12.240 1.779 1.00 0.00 O ATOM 0 H GLU A 50 9.244 9.229 0.386 1.00 0.00 H new ATOM 0 HA GLU A 50 11.034 9.188 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.518 10.702 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.944 11.452 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.371 10.790 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.949 10.047 1.558 1.00 0.00 H new ATOM 820 N ILE A 51 11.084 7.754 0.948 1.00 0.00 N ATOM 821 CA ILE A 51 11.667 6.668 1.724 1.00 0.00 C ATOM 822 C ILE A 51 11.369 5.316 1.090 1.00 0.00 C ATOM 823 O ILE A 51 12.219 4.732 0.423 1.00 0.00 O ATOM 824 CB ILE A 51 11.127 6.676 3.163 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.211 8.086 3.746 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.895 5.688 4.026 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.627 8.582 3.947 1.00 0.00 C ATOM 0 H ILE A 51 10.249 8.166 1.365 1.00 0.00 H new ATOM 0 HA ILE A 51 12.746 6.824 1.739 1.00 0.00 H new ATOM 0 HB ILE A 51 10.081 6.369 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.686 8.774 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.690 8.105 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.499 5.707 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.788 4.685 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.950 5.963 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.604 9.589 4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.151 7.917 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.147 8.597 2.989 1.00 0.00 H new ATOM 839 N LEU A 52 10.161 4.818 1.319 1.00 0.00 N ATOM 840 CA LEU A 52 9.740 3.537 0.763 1.00 0.00 C ATOM 841 C LEU A 52 8.871 3.727 -0.474 1.00 0.00 C ATOM 842 O LEU A 52 7.769 4.264 -0.382 1.00 0.00 O ATOM 843 CB LEU A 52 8.957 2.738 1.808 1.00 0.00 C ATOM 844 CG LEU A 52 9.789 1.769 2.644 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.029 1.351 3.892 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.172 0.548 1.823 1.00 0.00 C ATOM 0 H LEU A 52 9.453 5.283 1.888 1.00 0.00 H new ATOM 0 HA LEU A 52 10.639 2.992 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.460 3.438 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.175 2.175 1.300 1.00 0.00 H new ATOM 0 HG LEU A 52 10.702 2.279 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.638 0.660 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.804 2.232 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.099 0.860 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.765 -0.131 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.269 0.038 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.757 0.860 0.958 1.00 0.00 H new ATOM 858 N GLU A 53 9.380 3.308 -1.634 1.00 0.00 N ATOM 859 CA GLU A 53 8.621 3.399 -2.876 1.00 0.00 C ATOM 860 C GLU A 53 7.464 2.409 -2.851 1.00 0.00 C ATOM 861 O GLU A 53 7.452 1.426 -3.594 1.00 0.00 O ATOM 862 CB GLU A 53 9.520 3.109 -4.075 1.00 0.00 C ATOM 863 CG GLU A 53 9.906 4.346 -4.856 1.00 0.00 C ATOM 864 CD GLU A 53 9.004 4.593 -6.048 1.00 0.00 C ATOM 865 OE1 GLU A 53 7.983 5.292 -5.886 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.319 4.086 -7.146 1.00 0.00 O ATOM 0 H GLU A 53 10.311 2.904 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 53 8.229 4.412 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.426 2.612 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.010 2.413 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.873 5.212 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.936 4.247 -5.200 1.00 0.00 H new ATOM 873 N VAL A 54 6.496 2.673 -1.985 1.00 0.00 N ATOM 874 CA VAL A 54 5.342 1.807 -1.846 1.00 0.00 C ATOM 875 C VAL A 54 4.400 1.930 -3.030 1.00 0.00 C ATOM 876 O VAL A 54 3.429 2.685 -2.989 1.00 0.00 O ATOM 877 CB VAL A 54 4.551 2.113 -0.566 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.522 1.023 -0.320 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.487 2.269 0.622 1.00 0.00 C ATOM 0 H VAL A 54 6.491 3.485 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 54 5.735 0.791 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 54 4.024 3.059 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.965 1.247 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.834 0.975 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.028 0.064 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.905 2.485 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.047 1.345 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.181 3.088 0.433 1.00 0.00 H new ATOM 889 N VAL A 55 4.697 1.194 -4.088 1.00 0.00 N ATOM 890 CA VAL A 55 3.852 1.203 -5.265 1.00 0.00 C ATOM 891 C VAL A 55 2.660 0.299 -5.029 1.00 0.00 C ATOM 892 O VAL A 55 2.633 -0.857 -5.453 1.00 0.00 O ATOM 893 CB VAL A 55 4.598 0.735 -6.517 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.716 0.910 -7.742 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.909 1.493 -6.675 1.00 0.00 C ATOM 0 H VAL A 55 5.513 0.586 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 55 3.531 2.231 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 55 4.836 -0.323 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.254 0.575 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.808 0.319 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.453 1.962 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.424 1.146 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.704 2.560 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.539 1.317 -5.803 1.00 0.00 H new ATOM 905 N CYS A 56 1.685 0.840 -4.328 1.00 0.00 N ATOM 906 CA CYS A 56 0.478 0.104 -3.990 1.00 0.00 C ATOM 907 C CYS A 56 -0.644 0.414 -4.962 1.00 0.00 C ATOM 908 O CYS A 56 -1.017 1.571 -5.157 1.00 0.00 O ATOM 909 CB CYS A 56 0.035 0.437 -2.566 1.00 0.00 C ATOM 910 SG CYS A 56 -1.594 -0.212 -2.126 1.00 0.00 S ATOM 0 H CYS A 56 1.704 1.797 -3.977 1.00 0.00 H new ATOM 0 HA CYS A 56 0.706 -0.960 -4.057 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.772 0.042 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.027 1.520 -2.444 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.614 -1.498 -2.313 1.00 0.00 H new ATOM 916 N LYS A 57 -1.179 -0.632 -5.570 1.00 0.00 N ATOM 917 CA LYS A 57 -2.265 -0.488 -6.517 1.00 0.00 C ATOM 918 C LYS A 57 -3.520 -1.150 -5.979 1.00 0.00 C ATOM 919 O LYS A 57 -3.625 -2.379 -5.940 1.00 0.00 O ATOM 920 CB LYS A 57 -1.892 -1.106 -7.859 1.00 0.00 C ATOM 921 CG LYS A 57 -0.459 -0.823 -8.281 1.00 0.00 C ATOM 922 CD LYS A 57 -0.118 -1.511 -9.594 1.00 0.00 C ATOM 923 CE LYS A 57 1.324 -1.254 -9.999 1.00 0.00 C ATOM 924 NZ LYS A 57 1.674 -1.940 -11.273 1.00 0.00 N ATOM 0 H LYS A 57 -0.875 -1.594 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.455 0.576 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.041 -2.185 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.569 -0.728 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.315 0.252 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.224 -1.163 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.284 -2.584 -9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.786 -1.154 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.485 -0.181 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.990 -1.597 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.666 -1.740 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.545 -2.966 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.056 -1.594 -12.035 1.00 0.00 H new ATOM 938 N TYR A 58 -4.459 -0.327 -5.548 1.00 0.00 N ATOM 939 CA TYR A 58 -5.718 -0.822 -5.021 1.00 0.00 C ATOM 940 C TYR A 58 -6.539 -1.407 -6.167 1.00 0.00 C ATOM 941 O TYR A 58 -7.202 -0.678 -6.905 1.00 0.00 O ATOM 942 CB TYR A 58 -6.479 0.310 -4.314 1.00 0.00 C ATOM 943 CG TYR A 58 -7.699 -0.136 -3.541 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.655 -0.966 -4.122 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.904 0.286 -2.230 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.772 -1.369 -3.425 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.027 -0.111 -1.529 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.956 -0.939 -2.130 1.00 0.00 C ATOM 949 OH TYR A 58 -11.072 -1.333 -1.430 1.00 0.00 O ATOM 0 H TYR A 58 -4.373 0.689 -5.553 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.531 -1.604 -4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.797 0.816 -3.630 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.786 1.044 -5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.517 -1.300 -5.140 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.178 0.930 -1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.499 -2.018 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.178 0.225 -0.514 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.049 -0.943 -0.531 1.00 0.00 H new ATOM 959 N THR A 59 -6.479 -2.727 -6.312 1.00 0.00 N ATOM 960 CA THR A 59 -7.193 -3.416 -7.381 1.00 0.00 C ATOM 961 C THR A 59 -8.544 -3.948 -6.919 1.00 0.00 C ATOM 962 O THR A 59 -8.622 -4.672 -5.931 1.00 0.00 O ATOM 963 CB THR A 59 -6.374 -4.603 -7.915 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.016 -4.206 -8.135 1.00 0.00 O ATOM 965 CG2 THR A 59 -6.968 -5.130 -9.213 1.00 0.00 C ATOM 0 H THR A 59 -5.942 -3.342 -5.701 1.00 0.00 H new ATOM 0 HA THR A 59 -7.347 -2.676 -8.167 1.00 0.00 H new ATOM 0 HB THR A 59 -6.403 -5.398 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.503 -4.969 -8.473 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.372 -5.969 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.991 -5.461 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.967 -4.338 -9.962 1.00 0.00 H new ATOM 973 N PRO A 60 -9.632 -3.585 -7.619 1.00 0.00 N ATOM 974 CA PRO A 60 -10.967 -4.049 -7.306 1.00 0.00 C ATOM 975 C PRO A 60 -11.369 -5.234 -8.181 1.00 0.00 C ATOM 976 O PRO A 60 -10.512 -5.934 -8.720 1.00 0.00 O ATOM 977 CB PRO A 60 -11.826 -2.829 -7.635 1.00 0.00 C ATOM 978 CG PRO A 60 -10.999 -1.966 -8.547 1.00 0.00 C ATOM 979 CD PRO A 60 -9.675 -2.655 -8.746 1.00 0.00 C ATOM 0 HA PRO A 60 -11.066 -4.400 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.756 -3.127 -8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.098 -2.288 -6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.504 -1.824 -9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.855 -0.977 -8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.627 -3.174 -9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.843 -1.951 -8.724 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.595 -6.585 -4.226 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.511 -6.774 -3.278 1.00 0.00 C ATOM 1137 C ILE A 73 -6.656 -5.519 -3.183 1.00 0.00 C ATOM 1138 O ILE A 73 -7.057 -4.444 -3.629 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.596 -7.965 -3.632 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.908 -7.763 -4.977 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.358 -9.277 -3.608 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.553 -8.434 -5.034 1.00 0.00 C ATOM 0 HA ILE A 73 -7.988 -6.988 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.822 -8.013 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.542 -8.160 -5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.791 -6.696 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.683 -10.094 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.768 -9.441 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.171 -9.239 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.103 -8.262 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.908 -8.019 -4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.671 -9.506 -4.872 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.475 -5.666 -2.595 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.560 -4.550 -2.429 1.00 0.00 C ATOM 1156 C TYR A 74 -3.126 -4.992 -2.714 1.00 0.00 C ATOM 1157 O TYR A 74 -2.484 -5.616 -1.872 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.677 -4.003 -1.005 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.098 -4.009 -0.471 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.632 -5.144 0.131 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.905 -2.885 -0.567 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.923 -5.157 0.618 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.200 -2.895 -0.079 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.702 -4.031 0.510 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.990 -4.039 0.995 1.00 0.00 O ATOM 0 H TYR A 74 -5.130 -6.552 -2.225 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.821 -3.763 -3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.046 -4.596 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.293 -2.983 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.024 -6.032 0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.517 -1.989 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.319 -6.048 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.815 -2.011 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.403 -3.164 0.840 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.633 -4.670 -3.910 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.278 -5.045 -4.304 1.00 0.00 C ATOM 1177 C VAL A 75 -0.275 -3.990 -3.862 1.00 0.00 C ATOM 1178 O VAL A 75 -0.121 -2.957 -4.508 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.164 -5.245 -5.829 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.283 -5.487 -6.236 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.047 -6.395 -6.284 1.00 0.00 C ATOM 0 H VAL A 75 -3.151 -4.152 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.054 -5.991 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.507 -4.333 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.339 -5.625 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.890 -4.629 -5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.657 -6.380 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.953 -6.521 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.737 -7.312 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.085 -6.178 -6.033 1.00 0.00 H new ATOM 1191 N VAL A 76 0.406 -4.260 -2.759 1.00 0.00 N ATOM 1192 CA VAL A 76 1.385 -3.321 -2.226 1.00 0.00 C ATOM 1193 C VAL A 76 2.817 -3.723 -2.574 1.00 0.00 C ATOM 1194 O VAL A 76 3.279 -4.800 -2.195 1.00 0.00 O ATOM 1195 CB VAL A 76 1.267 -3.201 -0.694 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.183 -2.103 -0.176 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.176 -2.944 -0.284 1.00 0.00 C ATOM 0 H VAL A 76 0.301 -5.117 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 76 1.166 -2.359 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 76 1.580 -4.145 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.088 -2.031 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.215 -2.338 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.903 -1.152 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.237 -2.863 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.523 -2.016 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.803 -3.769 -0.622 1.00 0.00 H new ATOM 1207 N LEU A 77 3.508 -2.851 -3.308 1.00 0.00 N ATOM 1208 CA LEU A 77 4.898 -3.088 -3.684 1.00 0.00 C ATOM 1209 C LEU A 77 5.799 -2.120 -2.941 1.00 0.00 C ATOM 1210 O LEU A 77 5.977 -0.980 -3.359 1.00 0.00 O ATOM 1211 CB LEU A 77 5.098 -2.924 -5.190 1.00 0.00 C ATOM 1212 CG LEU A 77 4.413 -3.986 -6.052 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.668 -3.720 -7.528 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.894 -5.375 -5.667 1.00 0.00 C ATOM 0 H LEU A 77 3.124 -1.972 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 77 5.155 -4.113 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.727 -1.943 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.167 -2.938 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 77 3.339 -3.934 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.173 -4.485 -8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.273 -2.740 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.740 -3.744 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.396 -6.118 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.972 -5.441 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.659 -5.564 -4.620 1.00 0.00 H new ATOM 1226 N VAL A 78 6.378 -2.578 -1.845 1.00 0.00 N ATOM 1227 CA VAL A 78 7.236 -1.721 -1.042 1.00 0.00 C ATOM 1228 C VAL A 78 8.690 -1.821 -1.491 1.00 0.00 C ATOM 1229 O VAL A 78 9.365 -2.819 -1.237 1.00 0.00 O ATOM 1230 CB VAL A 78 7.127 -2.054 0.459 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.811 -0.796 1.263 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.071 -3.123 0.702 1.00 0.00 C ATOM 0 H VAL A 78 6.272 -3.529 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 78 6.892 -0.698 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 78 8.088 -2.446 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.737 -1.049 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.605 -0.063 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.864 -0.376 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.013 -3.341 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.103 -2.765 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.340 -4.030 0.161 1.00 0.00 H new ATOM 1242 N LYS A 79 9.158 -0.774 -2.168 1.00 0.00 N ATOM 1243 CA LYS A 79 10.528 -0.723 -2.668 1.00 0.00 C ATOM 1244 C LYS A 79 11.348 0.332 -1.927 1.00 0.00 C ATOM 1245 O LYS A 79 11.352 1.500 -2.310 1.00 0.00 O ATOM 1246 CB LYS A 79 10.530 -0.412 -4.166 1.00 0.00 C ATOM 1247 CG LYS A 79 10.410 -1.646 -5.046 1.00 0.00 C ATOM 1248 CD LYS A 79 10.557 -1.297 -6.519 1.00 0.00 C ATOM 1249 CE LYS A 79 9.404 -0.436 -7.010 1.00 0.00 C ATOM 1250 NZ LYS A 79 8.091 -1.119 -6.848 1.00 0.00 N ATOM 0 H LYS A 79 8.604 0.055 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 79 10.983 -1.698 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.705 0.264 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.450 0.115 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.174 -2.370 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.443 -2.121 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.498 -0.769 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.603 -2.213 -7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.394 0.505 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.557 -0.189 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.413 -0.736 -7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.208 -2.140 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.733 -0.959 -5.885 1.00 0.00 H new ATOM 1264 N PRO A 80 12.058 -0.061 -0.855 1.00 0.00 N ATOM 1265 CA PRO A 80 12.877 0.867 -0.074 1.00 0.00 C ATOM 1266 C PRO A 80 13.835 1.675 -0.941 1.00 0.00 C ATOM 1267 O PRO A 80 14.868 1.173 -1.383 1.00 0.00 O ATOM 1268 CB PRO A 80 13.656 -0.034 0.892 1.00 0.00 C ATOM 1269 CG PRO A 80 13.420 -1.436 0.425 1.00 0.00 C ATOM 1270 CD PRO A 80 12.116 -1.426 -0.317 1.00 0.00 C ATOM 0 HA PRO A 80 12.259 1.608 0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.719 0.208 0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.309 0.100 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.231 -1.771 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.380 -2.124 1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.096 -2.174 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.274 -1.637 0.342 1.00 0.00 H new ATOM 1278 N ARG A 81 13.477 2.930 -1.181 1.00 0.00 N ATOM 1279 CA ARG A 81 14.297 3.823 -1.990 1.00 0.00 C ATOM 1280 C ARG A 81 15.643 4.075 -1.323 1.00 0.00 C ATOM 1281 O ARG A 81 16.671 4.190 -1.990 1.00 0.00 O ATOM 1282 CB ARG A 81 13.580 5.154 -2.212 1.00 0.00 C ATOM 1283 CG ARG A 81 13.004 5.318 -3.606 1.00 0.00 C ATOM 1284 CD ARG A 81 12.096 6.534 -3.684 1.00 0.00 C ATOM 1285 NE ARG A 81 11.678 6.818 -5.054 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.124 7.966 -5.433 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.925 8.934 -4.548 1.00 0.00 N ATOM 1288 NH2 ARG A 81 10.770 8.147 -6.698 1.00 0.00 N ATOM 0 H ARG A 81 12.620 3.354 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 81 14.465 3.341 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.775 5.247 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.279 5.968 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.814 5.419 -4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.443 4.424 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.215 6.369 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.616 7.401 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 81 11.819 6.095 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.197 8.799 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.500 9.814 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.923 7.405 -7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.345 9.028 -6.988 1.00 0.00 H new ATOM 1302 N LYS A 82 15.624 4.159 0.003 1.00 0.00 N ATOM 1303 CA LYS A 82 16.835 4.407 0.776 1.00 0.00 C ATOM 1304 C LYS A 82 17.110 3.254 1.736 1.00 0.00 C ATOM 1305 O LYS A 82 16.338 2.298 1.809 1.00 0.00 O ATOM 1306 CB LYS A 82 16.697 5.715 1.557 1.00 0.00 C ATOM 1307 CG LYS A 82 16.141 6.863 0.728 1.00 0.00 C ATOM 1308 CD LYS A 82 16.067 8.150 1.532 1.00 0.00 C ATOM 1309 CE LYS A 82 15.460 9.281 0.717 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.401 10.553 1.488 1.00 0.00 N ATOM 0 H LYS A 82 14.780 4.058 0.566 1.00 0.00 H new ATOM 0 HA LYS A 82 17.674 4.487 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.046 5.549 2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.674 6.000 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.770 7.017 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.147 6.602 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.471 7.986 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.067 8.433 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.048 9.432 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.455 9.001 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.443 10.953 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.633 10.366 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.086 11.230 1.094 1.00 0.00 H new ATOM 1324 N ARG A 83 18.215 3.350 2.467 1.00 0.00 N ATOM 1325 CA ARG A 83 18.587 2.319 3.428 1.00 0.00 C ATOM 1326 C ARG A 83 18.673 2.893 4.838 1.00 0.00 C ATOM 1327 O ARG A 83 19.153 4.010 5.037 1.00 0.00 O ATOM 1328 CB ARG A 83 19.922 1.687 3.039 1.00 0.00 C ATOM 1329 CG ARG A 83 20.938 2.691 2.522 1.00 0.00 C ATOM 1330 CD ARG A 83 22.248 2.018 2.150 1.00 0.00 C ATOM 1331 NE ARG A 83 22.868 1.354 3.293 1.00 0.00 N ATOM 1332 CZ ARG A 83 24.021 0.695 3.229 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.678 0.612 2.079 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.519 0.120 4.314 1.00 0.00 N ATOM 0 H ARG A 83 18.869 4.131 2.412 1.00 0.00 H new ATOM 0 HA ARG A 83 17.813 1.551 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.338 1.174 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 83 19.748 0.931 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.532 3.205 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 83 21.121 3.450 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.069 1.288 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.935 2.762 1.747 1.00 0.00 H new ATOM 0 HE ARG A 83 22.389 1.398 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.299 1.054 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.562 0.106 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.018 0.183 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.404 -0.385 4.263 1.00 0.00 H new ATOM 1348 N GLY A 84 18.202 2.123 5.812 1.00 0.00 N ATOM 1349 CA GLY A 84 18.229 2.568 7.194 1.00 0.00 C ATOM 1350 C GLY A 84 17.030 2.078 7.981 1.00 0.00 C ATOM 1351 O GLY A 84 16.878 0.878 8.210 1.00 0.00 O ATOM 0 H GLY A 84 17.801 1.196 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.143 2.212 7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.258 3.657 7.222 1.00 0.00 H new ATOM 1355 N HIS A 85 16.176 3.009 8.397 1.00 0.00 N ATOM 1356 CA HIS A 85 14.983 2.664 9.162 1.00 0.00 C ATOM 1357 C HIS A 85 13.720 3.018 8.385 1.00 0.00 C ATOM 1358 O HIS A 85 13.233 4.147 8.450 1.00 0.00 O ATOM 1359 CB HIS A 85 14.983 3.386 10.509 1.00 0.00 C ATOM 1360 CG HIS A 85 16.173 3.067 11.360 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.270 3.897 11.463 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.435 2.002 12.155 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.154 3.357 12.283 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.671 2.207 12.718 1.00 0.00 N ATOM 0 H HIS A 85 16.288 4.007 8.217 1.00 0.00 H new ATOM 0 HA HIS A 85 14.995 1.588 9.337 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.949 4.462 10.335 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.076 3.122 11.053 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.791 1.150 12.316 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.109 3.783 12.552 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.140 1.574 13.366 1.00 0.00 H new ATOM 1373 N HIS A 86 13.198 2.045 7.646 1.00 0.00 N ATOM 1374 CA HIS A 86 11.989 2.247 6.853 1.00 0.00 C ATOM 1375 C HIS A 86 10.843 1.399 7.396 1.00 0.00 C ATOM 1376 O HIS A 86 11.067 0.448 8.145 1.00 0.00 O ATOM 1377 CB HIS A 86 12.246 1.892 5.387 1.00 0.00 C ATOM 1378 CG HIS A 86 13.307 2.728 4.740 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.122 3.591 5.442 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.682 2.831 3.443 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.951 4.189 4.605 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.705 3.746 3.387 1.00 0.00 N ATOM 0 H HIS A 86 13.593 1.107 7.579 1.00 0.00 H new ATOM 0 HA HIS A 86 11.711 3.299 6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.533 0.843 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.317 2.003 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.256 2.294 2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.703 4.917 4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.195 4.036 2.541 1.00 0.00 H new ATOM 1391 N THR A 87 9.617 1.746 7.016 1.00 0.00 N ATOM 1392 CA THR A 87 8.444 1.011 7.476 1.00 0.00 C ATOM 1393 C THR A 87 7.243 1.233 6.560 1.00 0.00 C ATOM 1394 O THR A 87 7.098 2.293 5.952 1.00 0.00 O ATOM 1395 CB THR A 87 8.057 1.421 8.908 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.169 1.236 9.792 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.877 0.602 9.397 1.00 0.00 C ATOM 0 H THR A 87 9.411 2.528 6.394 1.00 0.00 H new ATOM 0 HA THR A 87 8.714 -0.045 7.459 1.00 0.00 H new ATOM 0 HB THR A 87 7.776 2.474 8.898 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.945 0.556 10.462 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.618 0.906 10.411 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.023 0.766 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.141 -0.456 9.392 1.00 0.00 H new ATOM 1405 N LEU A 88 6.378 0.224 6.478 1.00 0.00 N ATOM 1406 CA LEU A 88 5.186 0.298 5.644 1.00 0.00 C ATOM 1407 C LEU A 88 3.932 0.241 6.505 1.00 0.00 C ATOM 1408 O LEU A 88 3.441 -0.838 6.836 1.00 0.00 O ATOM 1409 CB LEU A 88 5.173 -0.849 4.637 1.00 0.00 C ATOM 1410 CG LEU A 88 3.860 -1.026 3.873 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.684 0.083 2.852 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.817 -2.388 3.200 1.00 0.00 C ATOM 0 H LEU A 88 6.483 -0.656 6.982 1.00 0.00 H new ATOM 0 HA LEU A 88 5.202 1.245 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.976 -0.689 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.397 -1.777 5.163 1.00 0.00 H new ATOM 0 HG LEU A 88 3.036 -0.969 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.744 -0.060 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.670 1.047 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.511 0.059 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.876 -2.498 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.648 -2.475 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.896 -3.170 3.955 1.00 0.00 H new ATOM 1424 N GLU A 89 3.421 1.406 6.867 1.00 0.00 N ATOM 1425 CA GLU A 89 2.232 1.490 7.695 1.00 0.00 C ATOM 1426 C GLU A 89 0.958 1.247 6.898 1.00 0.00 C ATOM 1427 O GLU A 89 0.397 2.171 6.319 1.00 0.00 O ATOM 1428 CB GLU A 89 2.165 2.857 8.362 1.00 0.00 C ATOM 1429 CG GLU A 89 3.236 3.056 9.410 1.00 0.00 C ATOM 1430 CD GLU A 89 3.211 4.443 10.021 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.892 5.342 9.483 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.509 4.633 11.037 1.00 0.00 O ATOM 0 H GLU A 89 3.813 2.309 6.599 1.00 0.00 H new ATOM 0 HA GLU A 89 2.303 0.707 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.261 3.632 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.185 2.983 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.108 2.314 10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.214 2.879 8.962 1.00 0.00 H new ATOM 1439 N LEU A 90 0.511 -0.003 6.863 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.723 -0.342 6.164 1.00 0.00 C ATOM 1441 C LEU A 90 -1.837 -0.547 7.178 1.00 0.00 C ATOM 1442 O LEU A 90 -1.715 -1.365 8.091 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.558 -1.592 5.297 1.00 0.00 C ATOM 1444 CG LEU A 90 0.272 -1.398 4.028 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.398 -2.711 3.272 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.348 -0.326 3.139 1.00 0.00 C ATOM 0 H LEU A 90 0.980 -0.793 7.306 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.977 0.483 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.095 -2.374 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.547 -1.952 5.014 1.00 0.00 H new ATOM 0 HG LEU A 90 1.270 -1.067 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.992 -2.557 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.887 -3.451 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.594 -3.069 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.258 -0.203 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.357 -0.626 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.388 0.618 3.682 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.918 0.202 7.020 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.039 0.119 7.940 1.00 0.00 C ATOM 1460 C VAL A 91 -5.359 -0.135 7.211 1.00 0.00 C ATOM 1461 O VAL A 91 -5.501 0.179 6.021 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.154 1.419 8.762 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.356 2.613 7.840 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.271 1.322 9.791 1.00 0.00 C ATOM 0 H VAL A 91 -3.041 0.874 6.263 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.848 -0.725 8.603 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.221 1.563 9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.435 3.523 8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.507 2.696 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.270 2.476 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.328 2.253 10.355 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.219 1.147 9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.067 0.497 10.473 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.311 -0.714 7.939 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.635 -1.008 7.403 1.00 0.00 C ATOM 1476 C TYR A 92 -8.608 0.097 7.814 1.00 0.00 C ATOM 1477 O TYR A 92 -9.336 -0.039 8.797 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.115 -2.367 7.922 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.286 -2.953 7.165 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.296 -2.988 5.776 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.379 -3.480 7.842 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.363 -3.530 5.084 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.448 -4.025 7.157 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.435 -4.047 5.779 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.499 -4.588 5.094 1.00 0.00 O ATOM 0 H TYR A 92 -6.186 -0.991 8.913 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.588 -1.050 6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.284 -3.071 7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.393 -2.263 8.971 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.457 -2.585 5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.393 -3.463 8.922 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.357 -3.548 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.289 -4.432 7.699 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.175 -3.895 4.940 1.00 0.00 H new ATOM 1495 N THR A 93 -8.606 1.191 7.057 1.00 0.00 N ATOM 1496 CA THR A 93 -9.452 2.343 7.364 1.00 0.00 C ATOM 1497 C THR A 93 -10.450 2.658 6.258 1.00 0.00 C ATOM 1498 O THR A 93 -10.247 2.290 5.108 1.00 0.00 O ATOM 1499 CB THR A 93 -8.592 3.591 7.572 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.427 4.731 7.802 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.720 3.830 6.351 1.00 0.00 C ATOM 0 H THR A 93 -8.027 1.305 6.225 1.00 0.00 H new ATOM 0 HA THR A 93 -10.000 2.078 8.268 1.00 0.00 H new ATOM 0 HB THR A 93 -7.954 3.437 8.442 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.151 4.488 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.111 4.720 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.070 2.969 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.352 3.972 5.475 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.515 3.373 6.617 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.539 3.770 5.655 1.00 0.00 C ATOM 1511 C ARG A 94 -12.294 5.200 5.171 1.00 0.00 C ATOM 1512 O ARG A 94 -12.654 6.159 5.853 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.935 3.672 6.275 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.449 2.249 6.400 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.837 2.207 7.019 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.824 2.906 6.200 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.138 2.808 6.383 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.620 2.045 7.354 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.969 3.476 5.596 1.00 0.00 N ATOM 0 H ARG A 94 -11.691 3.690 7.571 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.482 3.089 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.917 4.130 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.633 4.249 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.475 1.783 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.760 1.665 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.144 1.169 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.805 2.657 8.011 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.487 3.503 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.983 1.531 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.628 1.972 7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.601 4.066 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.976 3.400 5.737 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.663 5.360 3.991 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.371 6.678 3.416 1.00 0.00 C ATOM 1535 C PRO A 95 -12.549 7.641 3.521 1.00 0.00 C ATOM 1536 O PRO A 95 -12.370 8.833 3.772 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.080 6.352 1.952 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.507 4.977 1.985 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.177 4.266 3.128 1.00 0.00 C ATOM 0 HA PRO A 95 -10.555 7.180 3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.987 6.390 1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.378 7.064 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.689 4.458 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.427 5.010 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.997 3.636 2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.480 3.618 3.659 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.752 7.113 3.326 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.964 7.914 3.391 1.00 0.00 C ATOM 1549 C PHE A 96 -15.126 8.566 4.764 1.00 0.00 C ATOM 1550 O PHE A 96 -15.498 9.735 4.863 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.187 7.047 3.076 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.851 5.690 2.522 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.369 5.554 1.230 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.013 4.553 3.297 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.057 4.307 0.720 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.703 3.304 2.792 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.223 3.181 1.502 1.00 0.00 C ATOM 0 H PHE A 96 -13.912 6.127 3.120 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.883 8.707 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.774 6.921 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.818 7.574 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.236 6.431 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.386 4.643 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.684 4.214 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -15.836 2.425 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 96 -14.978 2.206 1.106 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.846 7.803 5.816 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.967 8.312 7.180 1.00 0.00 C ATOM 1569 C GLU A 97 -13.618 8.779 7.718 1.00 0.00 C ATOM 1570 O GLU A 97 -13.360 9.979 7.821 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.544 7.235 8.103 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.875 6.675 7.629 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.498 5.725 8.633 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.147 4.526 8.613 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.337 6.179 9.440 1.00 0.00 O ATOM 0 H GLU A 97 -14.535 6.834 5.752 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.643 9.166 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.826 6.419 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.671 7.654 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.564 7.498 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.730 6.154 6.683 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.764 7.821 8.058 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.453 8.141 8.592 1.00 0.00 C ATOM 1584 C GLY A 98 -10.793 6.944 9.231 1.00 0.00 C ATOM 1585 O GLY A 98 -11.366 5.855 9.268 1.00 0.00 O ATOM 0 H GLY A 98 -12.957 6.823 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.818 8.520 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.547 8.939 9.329 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.589 7.147 9.739 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.841 6.074 10.368 1.00 0.00 C ATOM 1591 C ILE A 99 -9.057 6.055 11.875 1.00 0.00 C ATOM 1592 O ILE A 99 -9.225 7.100 12.503 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.342 6.205 10.065 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.138 6.640 8.610 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.644 4.881 10.339 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.751 7.180 8.326 1.00 0.00 C ATOM 0 H ILE A 99 -9.109 8.047 9.728 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.210 5.136 9.953 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.906 6.966 10.713 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.329 5.790 7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.874 7.405 8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.580 4.979 10.122 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.778 4.609 11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.073 4.105 9.705 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.680 7.468 7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.564 8.051 8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.010 6.411 8.542 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.052 4.857 12.446 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.261 4.688 13.876 1.00 0.00 C ATOM 1610 C LYS A 100 -8.342 3.610 14.445 1.00 0.00 C ATOM 1611 O LYS A 100 -7.785 2.801 13.704 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.723 4.327 14.136 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.696 5.425 13.733 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.137 4.944 13.769 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.499 4.168 12.513 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.870 3.591 12.591 1.00 0.00 N ATOM 0 H LYS A 100 -8.905 3.985 11.937 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.021 5.627 14.376 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.968 3.416 13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.853 4.107 15.196 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.580 6.277 14.403 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.454 5.774 12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.289 4.312 14.644 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.804 5.799 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.431 4.827 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.776 3.366 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.078 3.070 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.928 2.942 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.563 4.357 12.710 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.172 3.593 15.778 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.320 2.612 16.457 1.00 0.00 C ATOM 1632 C PRO A 101 -7.893 1.203 16.377 1.00 0.00 C ATOM 1633 O PRO A 101 -7.157 0.230 16.210 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.299 3.099 17.908 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.549 3.895 18.061 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.804 4.527 16.724 1.00 0.00 C ATOM 0 HA PRO A 101 -6.331 2.547 16.004 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.275 2.262 18.606 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.416 3.706 18.109 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.383 3.259 18.357 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.436 4.653 18.836 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.871 4.636 16.528 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.364 5.522 16.660 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.213 1.103 16.498 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.891 -0.186 16.435 1.00 0.00 C ATOM 1646 C GLU A 102 -9.672 -0.848 15.079 1.00 0.00 C ATOM 1647 O GLU A 102 -9.686 -2.073 14.965 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.384 -0.013 16.697 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.015 1.037 15.812 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.494 1.224 16.084 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.309 0.523 15.447 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.839 2.073 16.933 1.00 0.00 O ATOM 0 H GLU A 102 -9.834 1.900 16.640 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.468 -0.830 17.206 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.889 -0.966 16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.536 0.259 17.741 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.500 1.987 15.959 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.875 0.757 14.768 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.471 -0.023 14.055 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.241 -0.519 12.703 1.00 0.00 C ATOM 1661 C ASN A 103 -8.069 -1.494 12.670 1.00 0.00 C ATOM 1662 O ASN A 103 -7.132 -1.379 13.461 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.971 0.649 11.752 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.210 1.482 11.482 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.312 2.143 10.448 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.162 1.453 12.407 1.00 0.00 N ATOM 0 H ASN A 103 -9.463 0.994 14.137 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.138 -1.048 12.380 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.195 1.286 12.177 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.585 0.263 10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.018 1.992 12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.037 0.892 13.250 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.127 -2.454 11.751 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.075 -3.444 11.612 1.00 0.00 C ATOM 1675 C GLU A 104 -5.735 -2.778 11.317 1.00 0.00 C ATOM 1676 O GLU A 104 -5.681 -1.598 10.966 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.436 -4.427 10.508 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.965 -5.748 11.033 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.389 -5.645 11.544 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.325 -5.851 10.742 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.569 -5.359 12.746 1.00 0.00 O ATOM 0 H GLU A 104 -8.897 -2.563 11.091 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.979 -3.985 12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.186 -3.975 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.555 -4.614 9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.921 -6.494 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.319 -6.100 11.837 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.659 -3.543 11.450 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.316 -3.023 11.222 1.00 0.00 C ATOM 1690 C ARG A 105 -2.499 -3.958 10.335 1.00 0.00 C ATOM 1691 O ARG A 105 -2.876 -5.107 10.113 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.606 -2.842 12.573 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.211 -2.243 12.478 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.273 -0.730 12.484 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.801 -0.228 13.748 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.931 1.063 14.035 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.571 1.983 13.148 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.423 1.438 15.207 1.00 0.00 N ATOM 0 H ARG A 105 -4.690 -4.527 11.715 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.402 -2.064 10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.219 -2.203 13.209 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.538 -3.812 13.066 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.604 -2.590 13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.724 -2.588 11.566 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.276 -0.322 12.316 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.901 -0.386 11.662 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.087 -0.908 14.453 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.194 1.700 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.672 2.973 13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.703 0.735 15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.522 2.430 15.425 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.399 -3.431 9.804 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.472 -4.193 8.976 1.00 0.00 C ATOM 1714 C TYR A 106 0.739 -3.326 8.652 1.00 0.00 C ATOM 1715 O TYR A 106 0.988 -2.970 7.502 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.146 -4.701 7.698 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.315 -5.695 6.925 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.347 -7.041 7.253 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.496 -5.295 5.872 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.404 -7.963 6.558 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.253 -6.212 5.169 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.203 -7.545 5.516 1.00 0.00 C ATOM 1723 OH TYR A 106 1.953 -8.464 4.818 1.00 0.00 O ATOM 0 H TYR A 106 -1.125 -2.458 9.938 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.146 -5.073 9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.098 -5.163 7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.371 -3.851 7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.972 -7.373 8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.536 -4.251 5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.367 -9.008 6.828 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.880 -5.886 4.352 1.00 0.00 H new ATOM 0 HH TYR A 106 1.496 -9.331 4.824 1.00 0.00 H new ATOM 1733 N THR A 107 1.480 -2.972 9.698 1.00 0.00 N ATOM 1734 CA THR A 107 2.662 -2.133 9.555 1.00 0.00 C ATOM 1735 C THR A 107 3.902 -2.971 9.267 1.00 0.00 C ATOM 1736 O THR A 107 4.580 -3.434 10.185 1.00 0.00 O ATOM 1737 CB THR A 107 2.897 -1.294 10.825 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.668 -0.692 11.248 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.930 -0.211 10.574 1.00 0.00 C ATOM 0 H THR A 107 1.280 -3.255 10.657 1.00 0.00 H new ATOM 0 HA THR A 107 2.484 -1.465 8.712 1.00 0.00 H new ATOM 0 HB THR A 107 3.268 -1.957 11.607 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.850 -0.039 11.956 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.079 0.368 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.873 -0.670 10.277 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.581 0.447 9.779 1.00 0.00 H new ATOM 1747 N LEU A 108 4.195 -3.160 7.986 1.00 0.00 N ATOM 1748 CA LEU A 108 5.348 -3.949 7.574 1.00 0.00 C ATOM 1749 C LEU A 108 6.650 -3.197 7.815 1.00 0.00 C ATOM 1750 O LEU A 108 7.095 -2.419 6.971 1.00 0.00 O ATOM 1751 CB LEU A 108 5.228 -4.331 6.097 1.00 0.00 C ATOM 1752 CG LEU A 108 6.446 -5.049 5.503 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.823 -6.257 6.347 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.170 -5.463 4.068 1.00 0.00 C ATOM 0 H LEU A 108 3.649 -2.777 7.214 1.00 0.00 H new ATOM 0 HA LEU A 108 5.365 -4.856 8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.354 -4.971 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.043 -3.426 5.519 1.00 0.00 H new ATOM 0 HG LEU A 108 7.288 -4.357 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.689 -6.752 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.065 -5.933 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.985 -6.954 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.044 -5.971 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.314 -6.137 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.953 -4.578 3.469 1.00 0.00 H new ATOM 1766 N HIS A 109 7.258 -3.434 8.972 1.00 0.00 N ATOM 1767 CA HIS A 109 8.514 -2.784 9.320 1.00 0.00 C ATOM 1768 C HIS A 109 9.678 -3.440 8.590 1.00 0.00 C ATOM 1769 O HIS A 109 9.735 -4.663 8.454 1.00 0.00 O ATOM 1770 CB HIS A 109 8.739 -2.821 10.825 1.00 0.00 C ATOM 1771 CG HIS A 109 8.021 -1.738 11.567 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.655 -0.617 12.062 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.716 -1.607 11.898 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.770 0.156 12.665 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.586 -0.422 12.578 1.00 0.00 N ATOM 0 H HIS A 109 6.901 -4.071 9.684 1.00 0.00 H new ATOM 0 HA HIS A 109 8.456 -1.741 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.415 -3.788 11.208 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.807 -2.740 11.026 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.924 -2.305 11.670 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.979 1.100 13.147 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.715 -0.048 12.955 1.00 0.00 H new ATOM 1784 N LEU A 110 10.611 -2.612 8.143 1.00 0.00 N ATOM 1785 CA LEU A 110 11.771 -3.079 7.394 1.00 0.00 C ATOM 1786 C LEU A 110 13.016 -2.270 7.742 1.00 0.00 C ATOM 1787 O LEU A 110 13.165 -1.130 7.302 1.00 0.00 O ATOM 1788 CB LEU A 110 11.502 -2.968 5.889 1.00 0.00 C ATOM 1789 CG LEU A 110 10.326 -3.802 5.370 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.086 -3.519 3.894 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.575 -5.286 5.593 1.00 0.00 C ATOM 0 H LEU A 110 10.587 -1.603 8.288 1.00 0.00 H new ATOM 0 HA LEU A 110 11.946 -4.120 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.319 -1.921 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.403 -3.267 5.353 1.00 0.00 H new ATOM 0 HG LEU A 110 9.434 -3.519 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.248 -4.119 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.858 -2.462 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.980 -3.773 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.727 -5.858 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.479 -5.587 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.698 -5.478 6.659 1.00 0.00 H new ATOM 1803 N ASN A 111 13.903 -2.857 8.538 1.00 0.00 N ATOM 1804 CA ASN A 111 15.140 -2.191 8.912 1.00 0.00 C ATOM 1805 C ASN A 111 16.145 -2.332 7.779 1.00 0.00 C ATOM 1806 O ASN A 111 17.147 -3.038 7.899 1.00 0.00 O ATOM 1807 CB ASN A 111 15.704 -2.780 10.207 1.00 0.00 C ATOM 1808 CG ASN A 111 16.908 -2.013 10.720 1.00 0.00 C ATOM 1809 OD1 ASN A 111 16.770 -1.056 11.482 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.099 -2.432 10.305 1.00 0.00 N ATOM 0 H ASN A 111 13.787 -3.790 8.934 1.00 0.00 H new ATOM 0 HA ASN A 111 14.939 -1.134 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.926 -2.781 10.970 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.985 -3.819 10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.945 -1.956 10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.167 -3.230 9.673 1.00 0.00 H new ATOM 1817 N VAL A 112 15.847 -1.664 6.670 1.00 0.00 N ATOM 1818 CA VAL A 112 16.690 -1.711 5.483 1.00 0.00 C ATOM 1819 C VAL A 112 18.165 -1.555 5.842 1.00 0.00 C ATOM 1820 O VAL A 112 18.575 -0.531 6.389 1.00 0.00 O ATOM 1821 CB VAL A 112 16.303 -0.612 4.473 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.680 -1.031 3.065 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.818 -0.294 4.556 1.00 0.00 C ATOM 0 H VAL A 112 15.018 -1.078 6.569 1.00 0.00 H new ATOM 0 HA VAL A 112 16.532 -2.688 5.027 1.00 0.00 H new ATOM 0 HB VAL A 112 16.856 0.292 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.400 -0.244 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.756 -1.199 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.155 -1.951 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.572 0.484 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.241 -1.192 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.576 0.054 5.560 1.00 0.00 H new ATOM 1833 N LYS A 113 18.956 -2.576 5.532 1.00 0.00 N ATOM 1834 CA LYS A 113 20.381 -2.555 5.821 1.00 0.00 C ATOM 1835 C LYS A 113 21.127 -1.670 4.826 1.00 0.00 C ATOM 1836 O LYS A 113 21.326 -0.476 5.132 1.00 0.00 O ATOM 1837 CB LYS A 113 20.941 -3.976 5.781 1.00 0.00 C ATOM 1838 CG LYS A 113 20.303 -4.916 6.796 1.00 0.00 C ATOM 1839 CD LYS A 113 20.520 -4.438 8.225 1.00 0.00 C ATOM 1840 CE LYS A 113 21.993 -4.440 8.603 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.206 -4.007 10.012 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.507 -2.179 3.751 1.00 0.00 O ATOM 0 H LYS A 113 18.631 -3.430 5.079 1.00 0.00 H new ATOM 0 HA LYS A 113 20.523 -2.140 6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.798 -4.385 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.016 -3.938 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.234 -4.994 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.722 -5.915 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.117 -3.431 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 113 19.968 -5.080 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.402 -5.441 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.541 -3.777 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.223 -4.022 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 21.839 -3.042 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.705 -4.654 10.654 1.00 0.00 H new