USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 57 LYS NZ :NH3+ 155:sc= 1.74 (180deg=0.95) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.402 K(o=2.1,f=-4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 19 SER OG : rot 109:sc= 1.27 USER MOD Single : A 21 MET CE :methyl -115:sc= -1.02 (180deg=-1.44) USER MOD Single : A 22 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 30 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1.8!) USER MOD Single : A 31 THR OG1 : rot 147:sc= -4.49! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -73:sc= 0.982 USER MOD Single : A 59 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 60 TYR OH : rot 12:sc= 2.02 USER MOD Single : A 63 SER OG : rot 83:sc= 0.93 USER MOD Single : A 68 ASN : amide:sc= 0.868 K(o=0.87,f=-0.96) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -81:sc= 0.325 USER MOD Single : A 77 HIS : no HE2:sc= 0.914 K(o=0.91,f=-6.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00928) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0325) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.552 USER MOD Single : A 92 GLN : amide:sc= -0.0943 K(o=-0.094,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 5.421 12.169 -10.920 1.00 0.00 N ATOM 175 CA ARG A 11 5.567 12.148 -9.473 1.00 0.00 C ATOM 176 C ARG A 11 5.080 10.799 -8.992 1.00 0.00 C ATOM 177 O ARG A 11 4.596 10.633 -7.874 1.00 0.00 O ATOM 178 CB ARG A 11 4.773 13.282 -8.826 1.00 0.00 C ATOM 179 CG ARG A 11 5.426 14.646 -8.978 1.00 0.00 C ATOM 180 CD ARG A 11 6.757 14.708 -8.243 1.00 0.00 C ATOM 181 NE ARG A 11 7.846 14.063 -8.979 1.00 0.00 N ATOM 182 CZ ARG A 11 9.109 14.037 -8.557 1.00 0.00 C ATOM 183 NH1 ARG A 11 9.448 14.621 -7.414 1.00 0.00 N ATOM 184 NH2 ARG A 11 10.034 13.421 -9.281 1.00 0.00 N ATOM 0 HA ARG A 11 6.610 12.298 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.777 13.314 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.645 13.066 -7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.582 14.861 -10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.759 15.416 -8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.017 15.751 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.651 14.230 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 11 7.625 13.608 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.739 15.094 -6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.417 14.597 -7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.777 12.969 -10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.002 13.400 -8.960 1.00 0.00 H new ATOM 198 N SER A 12 5.240 9.841 -9.880 1.00 0.00 N ATOM 199 CA SER A 12 4.700 8.511 -9.716 1.00 0.00 C ATOM 200 C SER A 12 5.753 7.534 -9.222 1.00 0.00 C ATOM 201 O SER A 12 6.937 7.863 -9.113 1.00 0.00 O ATOM 202 CB SER A 12 4.141 8.045 -11.061 1.00 0.00 C ATOM 203 OG SER A 12 5.009 8.413 -12.125 1.00 0.00 O ATOM 0 H SER A 12 5.758 9.968 -10.750 1.00 0.00 H new ATOM 0 HA SER A 12 3.911 8.542 -8.965 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.011 6.963 -11.050 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.156 8.483 -11.222 1.00 0.00 H new ATOM 0 HG SER A 12 4.633 8.104 -12.976 1.00 0.00 H new ATOM 209 N VAL A 13 5.301 6.327 -8.934 1.00 0.00 N ATOM 210 CA VAL A 13 6.165 5.257 -8.481 1.00 0.00 C ATOM 211 C VAL A 13 5.930 4.003 -9.316 1.00 0.00 C ATOM 212 O VAL A 13 4.818 3.473 -9.362 1.00 0.00 O ATOM 213 CB VAL A 13 5.945 4.952 -6.984 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.739 5.927 -6.125 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.459 5.024 -6.637 1.00 0.00 C ATOM 0 H VAL A 13 4.319 6.062 -9.009 1.00 0.00 H new ATOM 0 HA VAL A 13 7.198 5.582 -8.607 1.00 0.00 H new ATOM 0 HB VAL A 13 6.298 3.941 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.575 5.701 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.800 5.834 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.411 6.945 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.322 4.806 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.083 6.024 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.911 4.293 -7.232 1.00 0.00 H new ATOM 225 N THR A 14 6.973 3.553 -9.992 1.00 0.00 N ATOM 226 CA THR A 14 6.879 2.413 -10.893 1.00 0.00 C ATOM 227 C THR A 14 7.017 1.091 -10.138 1.00 0.00 C ATOM 228 O THR A 14 7.861 0.955 -9.255 1.00 0.00 O ATOM 229 CB THR A 14 7.974 2.495 -11.975 1.00 0.00 C ATOM 230 OG1 THR A 14 7.976 3.805 -12.560 1.00 0.00 O ATOM 231 CG2 THR A 14 7.755 1.452 -13.063 1.00 0.00 C ATOM 0 H THR A 14 7.905 3.964 -9.934 1.00 0.00 H new ATOM 0 HA THR A 14 5.895 2.446 -11.360 1.00 0.00 H new ATOM 0 HB THR A 14 8.936 2.298 -11.501 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.674 3.856 -13.246 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.543 1.535 -13.811 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.778 0.456 -12.622 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.787 1.617 -13.536 1.00 0.00 H new ATOM 239 N LEU A 15 6.174 0.127 -10.485 1.00 0.00 N ATOM 240 CA LEU A 15 6.252 -1.208 -9.908 1.00 0.00 C ATOM 241 C LEU A 15 7.069 -2.123 -10.812 1.00 0.00 C ATOM 242 O LEU A 15 7.129 -1.899 -12.019 1.00 0.00 O ATOM 243 CB LEU A 15 4.846 -1.784 -9.714 1.00 0.00 C ATOM 244 CG LEU A 15 4.034 -1.143 -8.590 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.604 -1.657 -8.595 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.687 -1.415 -7.245 1.00 0.00 C ATOM 0 H LEU A 15 5.425 0.246 -11.167 1.00 0.00 H new ATOM 0 HA LEU A 15 6.742 -1.141 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.294 -1.676 -10.648 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.932 -2.852 -9.516 1.00 0.00 H new ATOM 0 HG LEU A 15 4.011 -0.066 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.045 -1.186 -7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.134 -1.416 -9.549 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.605 -2.738 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.097 -0.952 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.739 -2.491 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.694 -0.998 -7.238 1.00 0.00 H new ATOM 258 N PRO A 16 7.707 -3.165 -10.242 1.00 0.00 N ATOM 259 CA PRO A 16 8.476 -4.157 -11.015 1.00 0.00 C ATOM 260 C PRO A 16 7.643 -4.805 -12.120 1.00 0.00 C ATOM 261 O PRO A 16 8.181 -5.328 -13.096 1.00 0.00 O ATOM 262 CB PRO A 16 8.868 -5.200 -9.965 1.00 0.00 C ATOM 263 CG PRO A 16 8.848 -4.462 -8.671 1.00 0.00 C ATOM 264 CD PRO A 16 7.750 -3.447 -8.795 1.00 0.00 C ATOM 0 HA PRO A 16 9.326 -3.704 -11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.167 -6.035 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.855 -5.615 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.662 -5.139 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.807 -3.979 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.799 -3.838 -8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.966 -2.549 -8.217 1.00 0.00 H new ATOM 272 N ASP A 17 6.323 -4.754 -11.947 1.00 0.00 N ATOM 273 CA ASP A 17 5.375 -5.253 -12.943 1.00 0.00 C ATOM 274 C ASP A 17 5.559 -4.529 -14.274 1.00 0.00 C ATOM 275 O ASP A 17 5.331 -5.101 -15.338 1.00 0.00 O ATOM 276 CB ASP A 17 3.940 -5.059 -12.435 1.00 0.00 C ATOM 277 CG ASP A 17 2.877 -5.426 -13.459 1.00 0.00 C ATOM 278 OD1 ASP A 17 2.459 -6.603 -13.497 1.00 0.00 O ATOM 279 OD2 ASP A 17 2.443 -4.532 -14.217 1.00 0.00 O ATOM 0 H ASP A 17 5.881 -4.366 -11.114 1.00 0.00 H new ATOM 0 HA ASP A 17 5.563 -6.315 -13.101 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.795 -5.665 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.805 -4.018 -12.141 1.00 0.00 H new ATOM 284 N GLY A 18 5.989 -3.277 -14.204 1.00 0.00 N ATOM 285 CA GLY A 18 6.135 -2.478 -15.401 1.00 0.00 C ATOM 286 C GLY A 18 5.126 -1.352 -15.439 1.00 0.00 C ATOM 287 O GLY A 18 5.241 -0.424 -16.240 1.00 0.00 O ATOM 0 H GLY A 18 6.239 -2.801 -13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.143 -2.067 -15.445 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.010 -3.110 -16.280 1.00 0.00 H new ATOM 291 N SER A 19 4.136 -1.442 -14.566 1.00 0.00 N ATOM 292 CA SER A 19 3.088 -0.441 -14.488 1.00 0.00 C ATOM 293 C SER A 19 3.466 0.660 -13.497 1.00 0.00 C ATOM 294 O SER A 19 4.040 0.390 -12.437 1.00 0.00 O ATOM 295 CB SER A 19 1.774 -1.106 -14.071 1.00 0.00 C ATOM 296 OG SER A 19 1.468 -2.202 -14.920 1.00 0.00 O ATOM 0 H SER A 19 4.037 -2.205 -13.897 1.00 0.00 H new ATOM 0 HA SER A 19 2.963 0.016 -15.469 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.847 -1.450 -13.039 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.965 -0.376 -14.107 1.00 0.00 H new ATOM 0 HG SER A 19 1.592 -3.041 -14.429 1.00 0.00 H new ATOM 302 N ILE A 20 3.159 1.902 -13.855 1.00 0.00 N ATOM 303 CA ILE A 20 3.421 3.041 -12.987 1.00 0.00 C ATOM 304 C ILE A 20 2.148 3.444 -12.256 1.00 0.00 C ATOM 305 O ILE A 20 1.047 3.187 -12.737 1.00 0.00 O ATOM 306 CB ILE A 20 3.956 4.252 -13.782 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.947 4.687 -14.852 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.296 3.911 -14.415 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.384 5.904 -15.640 1.00 0.00 C ATOM 0 H ILE A 20 2.726 2.145 -14.746 1.00 0.00 H new ATOM 0 HA ILE A 20 4.183 2.738 -12.269 1.00 0.00 H new ATOM 0 HB ILE A 20 4.098 5.085 -13.093 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.781 3.859 -15.541 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.991 4.899 -14.373 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.664 4.772 -14.973 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.011 3.651 -13.635 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.174 3.065 -15.091 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.621 6.153 -16.378 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.522 6.746 -14.962 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.324 5.690 -16.148 1.00 0.00 H new ATOM 321 N MET A 21 2.292 4.058 -11.097 1.00 0.00 N ATOM 322 CA MET A 21 1.135 4.511 -10.344 1.00 0.00 C ATOM 323 C MET A 21 1.351 5.913 -9.801 1.00 0.00 C ATOM 324 O MET A 21 2.392 6.211 -9.213 1.00 0.00 O ATOM 325 CB MET A 21 0.814 3.542 -9.208 1.00 0.00 C ATOM 326 CG MET A 21 -0.277 4.045 -8.277 1.00 0.00 C ATOM 327 SD MET A 21 -0.968 2.741 -7.255 1.00 0.00 S ATOM 328 CE MET A 21 -1.747 1.750 -8.520 1.00 0.00 C ATOM 0 H MET A 21 3.191 4.254 -10.658 1.00 0.00 H new ATOM 0 HA MET A 21 0.284 4.538 -11.025 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.508 2.586 -9.632 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.719 3.359 -8.629 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.130 4.827 -7.636 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.073 4.499 -8.868 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.828 1.761 -8.377 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.506 2.158 -9.502 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.383 0.725 -8.454 1.00 0.00 H new ATOM 338 N THR A 22 0.363 6.767 -10.015 1.00 0.00 N ATOM 339 CA THR A 22 0.408 8.143 -9.555 1.00 0.00 C ATOM 340 C THR A 22 -0.467 8.315 -8.316 1.00 0.00 C ATOM 341 O THR A 22 -1.091 7.363 -7.849 1.00 0.00 O ATOM 342 CB THR A 22 -0.095 9.109 -10.648 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.465 8.823 -10.962 1.00 0.00 O ATOM 344 CG2 THR A 22 0.748 9.005 -11.909 1.00 0.00 C ATOM 0 H THR A 22 -0.493 6.524 -10.513 1.00 0.00 H new ATOM 0 HA THR A 22 1.446 8.376 -9.317 1.00 0.00 H new ATOM 0 HB THR A 22 -0.010 10.125 -10.262 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.522 7.957 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.368 9.698 -12.659 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.783 9.255 -11.676 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.698 7.988 -12.297 1.00 0.00 H new ATOM 352 N ARG A 23 -0.514 9.534 -7.797 1.00 0.00 N ATOM 353 CA ARG A 23 -1.414 9.871 -6.707 1.00 0.00 C ATOM 354 C ARG A 23 -2.861 9.868 -7.209 1.00 0.00 C ATOM 355 O ARG A 23 -3.804 9.768 -6.424 1.00 0.00 O ATOM 356 CB ARG A 23 -1.045 11.248 -6.146 1.00 0.00 C ATOM 357 CG ARG A 23 -0.976 11.311 -4.625 1.00 0.00 C ATOM 358 CD ARG A 23 -2.276 11.814 -4.003 1.00 0.00 C ATOM 359 NE ARG A 23 -3.347 10.819 -4.022 1.00 0.00 N ATOM 360 CZ ARG A 23 -4.031 10.442 -2.938 1.00 0.00 C ATOM 361 NH1 ARG A 23 -3.730 10.946 -1.744 1.00 0.00 N ATOM 362 NH2 ARG A 23 -5.014 9.557 -3.055 1.00 0.00 N ATOM 0 H ARG A 23 0.066 10.310 -8.117 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.320 9.130 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.079 11.546 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.777 11.977 -6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.749 10.320 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.157 11.966 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.086 12.114 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.607 12.704 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.586 10.388 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.973 11.624 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.256 10.654 -0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.244 9.168 -3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.539 9.266 -2.230 1.00 0.00 H new ATOM 376 N ALA A 24 -3.025 9.960 -8.528 1.00 0.00 N ATOM 377 CA ALA A 24 -4.350 9.996 -9.139 1.00 0.00 C ATOM 378 C ALA A 24 -4.953 8.596 -9.227 1.00 0.00 C ATOM 379 O ALA A 24 -6.170 8.435 -9.201 1.00 0.00 O ATOM 380 CB ALA A 24 -4.275 10.635 -10.521 1.00 0.00 C ATOM 0 H ALA A 24 -2.254 10.011 -9.194 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.001 10.601 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.270 10.656 -10.967 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.896 11.653 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.606 10.053 -11.155 1.00 0.00 H new ATOM 386 N ASP A 25 -4.094 7.583 -9.319 1.00 0.00 N ATOM 387 CA ASP A 25 -4.550 6.196 -9.377 1.00 0.00 C ATOM 388 C ASP A 25 -4.966 5.730 -7.993 1.00 0.00 C ATOM 389 O ASP A 25 -5.691 4.745 -7.840 1.00 0.00 O ATOM 390 CB ASP A 25 -3.444 5.279 -9.909 1.00 0.00 C ATOM 391 CG ASP A 25 -2.994 5.648 -11.305 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.699 5.296 -12.273 1.00 0.00 O ATOM 393 OD2 ASP A 25 -1.927 6.289 -11.439 1.00 0.00 O ATOM 0 H ASP A 25 -3.081 7.696 -9.355 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.403 6.147 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.589 5.320 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.801 4.249 -9.908 1.00 0.00 H new ATOM 398 N LEU A 26 -4.495 6.454 -6.993 1.00 0.00 N ATOM 399 CA LEU A 26 -4.766 6.124 -5.611 1.00 0.00 C ATOM 400 C LEU A 26 -6.103 6.694 -5.157 1.00 0.00 C ATOM 401 O LEU A 26 -6.453 7.829 -5.489 1.00 0.00 O ATOM 402 CB LEU A 26 -3.645 6.658 -4.720 1.00 0.00 C ATOM 403 CG LEU A 26 -2.274 6.021 -4.952 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.209 6.718 -4.123 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.315 4.543 -4.611 1.00 0.00 C ATOM 0 H LEU A 26 -3.916 7.284 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.815 5.038 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.560 7.734 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.927 6.507 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.020 6.134 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.242 6.248 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.160 7.770 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.460 6.636 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.332 4.103 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.592 4.419 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.050 4.044 -5.243 1.00 0.00 H new ATOM 417 N PRO A 27 -6.868 5.887 -4.404 1.00 0.00 N ATOM 418 CA PRO A 27 -8.104 6.322 -3.729 1.00 0.00 C ATOM 419 C PRO A 27 -7.935 7.679 -3.043 1.00 0.00 C ATOM 420 O PRO A 27 -7.048 7.846 -2.206 1.00 0.00 O ATOM 421 CB PRO A 27 -8.296 5.221 -2.693 1.00 0.00 C ATOM 422 CG PRO A 27 -7.755 4.004 -3.341 1.00 0.00 C ATOM 423 CD PRO A 27 -6.575 4.464 -4.147 1.00 0.00 C ATOM 0 HA PRO A 27 -8.943 6.455 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.764 5.448 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.348 5.099 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.457 3.264 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.504 3.533 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.641 4.339 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.478 3.900 -5.075 1.00 0.00 H new ATOM 431 N PRO A 28 -8.775 8.667 -3.402 1.00 0.00 N ATOM 432 CA PRO A 28 -8.665 10.039 -2.883 1.00 0.00 C ATOM 433 C PRO A 28 -8.789 10.097 -1.365 1.00 0.00 C ATOM 434 O PRO A 28 -7.921 10.641 -0.680 1.00 0.00 O ATOM 435 CB PRO A 28 -9.842 10.768 -3.543 1.00 0.00 C ATOM 436 CG PRO A 28 -10.185 9.945 -4.737 1.00 0.00 C ATOM 437 CD PRO A 28 -9.902 8.527 -4.338 1.00 0.00 C ATOM 0 HA PRO A 28 -7.694 10.480 -3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.689 10.847 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.567 11.783 -3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.231 10.073 -5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.587 10.237 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.766 8.061 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.639 7.910 -5.197 1.00 0.00 H new ATOM 445 N ALA A 29 -9.869 9.526 -0.850 1.00 0.00 N ATOM 446 CA ALA A 29 -10.111 9.476 0.583 1.00 0.00 C ATOM 447 C ALA A 29 -11.245 8.513 0.886 1.00 0.00 C ATOM 448 O ALA A 29 -11.094 7.581 1.673 1.00 0.00 O ATOM 449 CB ALA A 29 -10.431 10.861 1.137 1.00 0.00 C ATOM 0 H ALA A 29 -10.598 9.087 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.202 9.122 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.607 10.792 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.592 11.531 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.323 11.252 0.647 1.00 0.00 H new ATOM 455 N ASN A 30 -12.380 8.730 0.231 1.00 0.00 N ATOM 456 CA ASN A 30 -13.553 7.885 0.442 1.00 0.00 C ATOM 457 C ASN A 30 -13.456 6.614 -0.388 1.00 0.00 C ATOM 458 O ASN A 30 -13.497 5.514 0.158 1.00 0.00 O ATOM 459 CB ASN A 30 -14.845 8.638 0.100 1.00 0.00 C ATOM 460 CG ASN A 30 -15.168 9.744 1.088 1.00 0.00 C ATOM 461 OD1 ASN A 30 -14.274 10.362 1.667 1.00 0.00 O ATOM 462 ND2 ASN A 30 -16.450 10.006 1.284 1.00 0.00 N ATOM 0 H ASN A 30 -12.514 9.480 -0.448 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.581 7.615 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.756 9.066 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.674 7.931 0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.727 10.742 1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -17.162 9.472 0.785 1.00 0.00 H new ATOM 469 N THR A 31 -13.300 6.782 -1.703 1.00 0.00 N ATOM 470 CA THR A 31 -13.235 5.662 -2.636 1.00 0.00 C ATOM 471 C THR A 31 -14.552 4.884 -2.628 1.00 0.00 C ATOM 472 O THR A 31 -14.720 3.929 -1.871 1.00 0.00 O ATOM 473 CB THR A 31 -12.083 4.717 -2.285 1.00 0.00 C ATOM 474 OG1 THR A 31 -10.974 5.493 -1.825 1.00 0.00 O ATOM 475 CG2 THR A 31 -11.669 3.886 -3.491 1.00 0.00 C ATOM 0 H THR A 31 -13.216 7.696 -2.147 1.00 0.00 H new ATOM 0 HA THR A 31 -13.061 6.070 -3.632 1.00 0.00 H new ATOM 0 HB THR A 31 -12.412 4.032 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.485 4.991 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.849 3.224 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.516 3.291 -3.831 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.345 4.547 -4.294 1.00 0.00 H new ATOM 483 N ARG A 32 -15.481 5.295 -3.476 1.00 0.00 N ATOM 484 CA ARG A 32 -16.836 4.757 -3.434 1.00 0.00 C ATOM 485 C ARG A 32 -16.955 3.448 -4.215 1.00 0.00 C ATOM 486 O ARG A 32 -18.050 3.044 -4.609 1.00 0.00 O ATOM 487 CB ARG A 32 -17.825 5.788 -3.976 1.00 0.00 C ATOM 488 CG ARG A 32 -17.745 7.132 -3.273 1.00 0.00 C ATOM 489 CD ARG A 32 -18.893 8.039 -3.679 1.00 0.00 C ATOM 490 NE ARG A 32 -20.181 7.523 -3.213 1.00 0.00 N ATOM 491 CZ ARG A 32 -21.166 7.137 -4.023 1.00 0.00 C ATOM 492 NH1 ARG A 32 -20.998 7.169 -5.343 1.00 0.00 N ATOM 493 NH2 ARG A 32 -22.314 6.707 -3.519 1.00 0.00 N ATOM 0 H ARG A 32 -15.325 5.996 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.073 4.539 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.640 5.932 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.837 5.395 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.763 6.981 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.797 7.614 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.731 9.036 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.912 8.139 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.334 7.455 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.113 7.490 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.754 6.873 -5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.445 6.671 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.066 6.412 -4.142 1.00 0.00 H new ATOM 507 N ARG A 33 -15.827 2.780 -4.413 1.00 0.00 N ATOM 508 CA ARG A 33 -15.801 1.497 -5.096 1.00 0.00 C ATOM 509 C ARG A 33 -14.476 0.789 -4.820 1.00 0.00 C ATOM 510 O ARG A 33 -13.493 0.986 -5.536 1.00 0.00 O ATOM 511 CB ARG A 33 -16.005 1.685 -6.607 1.00 0.00 C ATOM 512 CG ARG A 33 -16.155 0.382 -7.379 1.00 0.00 C ATOM 513 CD ARG A 33 -17.393 -0.388 -6.946 1.00 0.00 C ATOM 514 NE ARG A 33 -17.519 -1.658 -7.664 1.00 0.00 N ATOM 515 CZ ARG A 33 -18.507 -2.534 -7.465 1.00 0.00 C ATOM 516 NH1 ARG A 33 -19.474 -2.268 -6.596 1.00 0.00 N ATOM 517 NH2 ARG A 33 -18.531 -3.673 -8.145 1.00 0.00 N ATOM 0 H ARG A 33 -14.912 3.110 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.617 0.881 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.893 2.296 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.158 2.239 -7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.214 0.596 -8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.270 -0.236 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.346 -0.579 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.280 0.220 -7.123 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.808 -1.888 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.465 -1.391 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.226 -2.941 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.795 -3.880 -8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.286 -4.342 -7.993 1.00 0.00 H new ATOM 531 N TRP A 34 -14.441 0.000 -3.758 1.00 0.00 N ATOM 532 CA TRP A 34 -13.233 -0.725 -3.390 1.00 0.00 C ATOM 533 C TRP A 34 -13.122 -2.029 -4.171 1.00 0.00 C ATOM 534 O TRP A 34 -13.637 -3.069 -3.757 1.00 0.00 O ATOM 535 CB TRP A 34 -13.203 -1.000 -1.887 1.00 0.00 C ATOM 536 CG TRP A 34 -12.946 0.226 -1.062 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.844 0.908 -0.289 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.700 0.917 -0.934 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.226 1.977 0.318 1.00 0.00 N ATOM 540 CE2 TRP A 34 -11.910 2.003 -0.063 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.425 0.722 -1.471 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -10.892 2.885 0.285 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.418 1.598 -1.126 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.655 2.669 -0.254 1.00 0.00 C ATOM 0 H TRP A 34 -15.234 -0.155 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.377 -0.100 -3.644 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.155 -1.438 -1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.431 -1.739 -1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.885 0.646 -0.172 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -13.674 2.642 0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.232 -0.100 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.073 3.711 0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.429 1.456 -1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.844 3.337 -0.003 1.00 0.00 H new ATOM 555 N VAL A 35 -12.479 -1.952 -5.323 1.00 0.00 N ATOM 556 CA VAL A 35 -12.244 -3.127 -6.148 1.00 0.00 C ATOM 557 C VAL A 35 -10.873 -3.718 -5.840 1.00 0.00 C ATOM 558 O VAL A 35 -10.049 -3.065 -5.192 1.00 0.00 O ATOM 559 CB VAL A 35 -12.339 -2.796 -7.651 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.724 -2.276 -7.995 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.278 -1.787 -8.059 1.00 0.00 C ATOM 0 H VAL A 35 -12.108 -1.084 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.020 -3.855 -5.912 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.162 -3.716 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.773 -2.048 -9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.468 -3.035 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.926 -1.372 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.370 -1.573 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.414 -0.867 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.289 -2.197 -7.855 1.00 0.00 H new ATOM 571 N ALA A 36 -10.631 -4.936 -6.320 1.00 0.00 N ATOM 572 CA ALA A 36 -9.382 -5.648 -6.045 1.00 0.00 C ATOM 573 C ALA A 36 -8.166 -4.821 -6.461 1.00 0.00 C ATOM 574 O ALA A 36 -7.195 -4.711 -5.711 1.00 0.00 O ATOM 575 CB ALA A 36 -9.373 -6.994 -6.756 1.00 0.00 C ATOM 0 H ALA A 36 -11.287 -5.454 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.322 -5.814 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.438 -7.512 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.210 -7.597 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.464 -6.838 -7.831 1.00 0.00 H new ATOM 581 N SER A 37 -8.239 -4.231 -7.651 1.00 0.00 N ATOM 582 CA SER A 37 -7.151 -3.417 -8.178 1.00 0.00 C ATOM 583 C SER A 37 -6.830 -2.248 -7.244 1.00 0.00 C ATOM 584 O SER A 37 -5.666 -1.951 -6.993 1.00 0.00 O ATOM 585 CB SER A 37 -7.518 -2.898 -9.570 1.00 0.00 C ATOM 586 OG SER A 37 -7.887 -3.966 -10.427 1.00 0.00 O ATOM 0 H SER A 37 -9.046 -4.303 -8.271 1.00 0.00 H new ATOM 0 HA SER A 37 -6.260 -4.041 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.341 -2.188 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.672 -2.360 -9.997 1.00 0.00 H new ATOM 0 HG SER A 37 -8.119 -3.611 -11.311 1.00 0.00 H new ATOM 592 N ARG A 38 -7.867 -1.610 -6.708 1.00 0.00 N ATOM 593 CA ARG A 38 -7.678 -0.447 -5.847 1.00 0.00 C ATOM 594 C ARG A 38 -7.140 -0.846 -4.481 1.00 0.00 C ATOM 595 O ARG A 38 -6.361 -0.109 -3.890 1.00 0.00 O ATOM 596 CB ARG A 38 -8.980 0.343 -5.694 1.00 0.00 C ATOM 597 CG ARG A 38 -9.295 1.204 -6.906 1.00 0.00 C ATOM 598 CD ARG A 38 -10.568 2.010 -6.723 1.00 0.00 C ATOM 599 NE ARG A 38 -10.892 2.771 -7.926 1.00 0.00 N ATOM 600 CZ ARG A 38 -10.787 4.095 -8.027 1.00 0.00 C ATOM 601 NH1 ARG A 38 -10.347 4.809 -6.997 1.00 0.00 N ATOM 602 NH2 ARG A 38 -11.100 4.701 -9.164 1.00 0.00 N ATOM 0 H ARG A 38 -8.841 -1.877 -6.853 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.939 0.194 -6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.803 -0.352 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.912 0.978 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.462 1.882 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.393 0.568 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.393 1.340 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.452 2.691 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.220 2.255 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.089 4.343 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.267 5.823 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.421 4.153 -9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.019 5.715 -9.241 1.00 0.00 H new ATOM 616 N LYS A 39 -7.545 -2.011 -3.996 1.00 0.00 N ATOM 617 CA LYS A 39 -7.050 -2.522 -2.721 1.00 0.00 C ATOM 618 C LYS A 39 -5.528 -2.656 -2.766 1.00 0.00 C ATOM 619 O LYS A 39 -4.809 -2.075 -1.943 1.00 0.00 O ATOM 620 CB LYS A 39 -7.698 -3.874 -2.410 1.00 0.00 C ATOM 621 CG LYS A 39 -9.201 -3.786 -2.197 1.00 0.00 C ATOM 622 CD LYS A 39 -9.853 -5.160 -2.201 1.00 0.00 C ATOM 623 CE LYS A 39 -9.320 -6.047 -1.089 1.00 0.00 C ATOM 624 NZ LYS A 39 -9.933 -7.399 -1.131 1.00 0.00 N ATOM 0 H LYS A 39 -8.215 -2.622 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.314 -1.820 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.494 -4.564 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.235 -4.294 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.405 -3.289 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.644 -3.171 -2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.932 -5.050 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.679 -5.641 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.237 -6.134 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.523 -5.584 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.547 -7.979 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.964 -7.316 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.718 -7.850 -2.043 1.00 0.00 H new ATOM 638 N ILE A 40 -5.048 -3.394 -3.760 1.00 0.00 N ATOM 639 CA ILE A 40 -3.617 -3.574 -3.955 1.00 0.00 C ATOM 640 C ILE A 40 -2.950 -2.233 -4.256 1.00 0.00 C ATOM 641 O ILE A 40 -1.840 -1.962 -3.797 1.00 0.00 O ATOM 642 CB ILE A 40 -3.315 -4.578 -5.095 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.926 -5.946 -4.771 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.813 -4.702 -5.321 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.654 -7.003 -5.821 1.00 0.00 C ATOM 0 H ILE A 40 -5.631 -3.877 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.210 -3.983 -3.030 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.766 -4.204 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.535 -6.290 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.004 -5.833 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.624 -5.412 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.404 -3.729 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.335 -5.054 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.118 -7.942 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.069 -6.682 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.578 -7.146 -5.923 1.00 0.00 H new ATOM 657 N ALA A 41 -3.652 -1.391 -5.010 1.00 0.00 N ATOM 658 CA ALA A 41 -3.154 -0.068 -5.364 1.00 0.00 C ATOM 659 C ALA A 41 -2.805 0.743 -4.124 1.00 0.00 C ATOM 660 O ALA A 41 -1.756 1.379 -4.075 1.00 0.00 O ATOM 661 CB ALA A 41 -4.177 0.679 -6.204 1.00 0.00 C ATOM 0 H ALA A 41 -4.574 -1.605 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.244 -0.203 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.788 1.665 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.375 0.120 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.102 0.789 -5.638 1.00 0.00 H new ATOM 667 N VAL A 42 -3.673 0.707 -3.119 1.00 0.00 N ATOM 668 CA VAL A 42 -3.448 1.471 -1.899 1.00 0.00 C ATOM 669 C VAL A 42 -2.202 0.985 -1.179 1.00 0.00 C ATOM 670 O VAL A 42 -1.298 1.772 -0.905 1.00 0.00 O ATOM 671 CB VAL A 42 -4.641 1.399 -0.926 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.426 2.320 0.264 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.926 1.760 -1.631 1.00 0.00 C ATOM 0 H VAL A 42 -4.534 0.160 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.322 2.508 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.715 0.374 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.281 2.252 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.522 2.023 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.320 3.347 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.756 1.703 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.853 2.774 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.099 1.064 -2.452 1.00 0.00 H new ATOM 683 N VAL A 43 -2.141 -0.312 -0.896 1.00 0.00 N ATOM 684 CA VAL A 43 -1.022 -0.864 -0.134 1.00 0.00 C ATOM 685 C VAL A 43 0.321 -0.637 -0.826 1.00 0.00 C ATOM 686 O VAL A 43 1.278 -0.212 -0.184 1.00 0.00 O ATOM 687 CB VAL A 43 -1.206 -2.361 0.199 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.882 -2.516 1.546 1.00 0.00 C ATOM 689 CG2 VAL A 43 -2.022 -3.065 -0.865 1.00 0.00 C ATOM 0 H VAL A 43 -2.844 -0.995 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.015 -0.314 0.807 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.218 -2.820 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.007 -3.575 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.267 -2.051 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.859 -2.033 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.134 -4.117 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.006 -2.602 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.514 -2.984 -1.826 1.00 0.00 H new ATOM 699 N ARG A 44 0.407 -0.887 -2.129 1.00 0.00 N ATOM 700 CA ARG A 44 1.657 -0.631 -2.839 1.00 0.00 C ATOM 701 C ARG A 44 1.866 0.867 -3.028 1.00 0.00 C ATOM 702 O ARG A 44 2.995 1.342 -3.096 1.00 0.00 O ATOM 703 CB ARG A 44 1.717 -1.373 -4.190 1.00 0.00 C ATOM 704 CG ARG A 44 0.603 -1.044 -5.179 1.00 0.00 C ATOM 705 CD ARG A 44 0.781 0.318 -5.836 1.00 0.00 C ATOM 706 NE ARG A 44 2.126 0.505 -6.379 1.00 0.00 N ATOM 707 CZ ARG A 44 2.682 1.699 -6.596 1.00 0.00 C ATOM 708 NH1 ARG A 44 2.018 2.806 -6.290 1.00 0.00 N ATOM 709 NH2 ARG A 44 3.896 1.785 -7.121 1.00 0.00 N ATOM 0 H ARG A 44 -0.351 -1.257 -2.703 1.00 0.00 H new ATOM 0 HA ARG A 44 2.469 -1.021 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.674 -1.151 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.699 -2.445 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.570 -1.813 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.356 -1.070 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.050 0.430 -6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.575 1.100 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 44 2.672 -0.326 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.082 2.745 -5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.443 3.718 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.409 0.937 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.317 2.699 -7.285 1.00 0.00 H new ATOM 723 N GLY A 45 0.768 1.603 -3.098 1.00 0.00 N ATOM 724 CA GLY A 45 0.842 3.025 -3.345 1.00 0.00 C ATOM 725 C GLY A 45 1.356 3.788 -2.153 1.00 0.00 C ATOM 726 O GLY A 45 2.135 4.721 -2.301 1.00 0.00 O ATOM 0 H GLY A 45 -0.178 1.237 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.493 3.209 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.147 3.397 -3.612 1.00 0.00 H new ATOM 730 N VAL A 46 0.933 3.391 -0.969 1.00 0.00 N ATOM 731 CA VAL A 46 1.390 4.049 0.237 1.00 0.00 C ATOM 732 C VAL A 46 2.740 3.484 0.682 1.00 0.00 C ATOM 733 O VAL A 46 3.711 4.225 0.787 1.00 0.00 O ATOM 734 CB VAL A 46 0.340 3.964 1.381 1.00 0.00 C ATOM 735 CG1 VAL A 46 -0.957 4.637 0.952 1.00 0.00 C ATOM 736 CG2 VAL A 46 0.061 2.530 1.807 1.00 0.00 C ATOM 0 H VAL A 46 0.279 2.623 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 46 1.520 5.106 0.004 1.00 0.00 H new ATOM 0 HB VAL A 46 0.760 4.484 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.685 4.572 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.764 5.685 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.351 4.137 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.678 2.526 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.322 1.966 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.983 2.070 2.162 1.00 0.00 H new ATOM 746 N ILE A 47 2.807 2.165 0.855 1.00 0.00 N ATOM 747 CA ILE A 47 3.989 1.507 1.402 1.00 0.00 C ATOM 748 C ILE A 47 5.201 1.653 0.485 1.00 0.00 C ATOM 749 O ILE A 47 6.274 2.064 0.924 1.00 0.00 O ATOM 750 CB ILE A 47 3.711 0.007 1.654 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.658 -0.162 2.755 1.00 0.00 C ATOM 752 CG2 ILE A 47 4.987 -0.731 2.020 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.261 -1.606 3.006 1.00 0.00 C ATOM 0 H ILE A 47 2.047 1.526 0.621 1.00 0.00 H new ATOM 0 HA ILE A 47 4.217 2.000 2.347 1.00 0.00 H new ATOM 0 HB ILE A 47 3.325 -0.426 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.042 0.266 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.769 0.408 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.762 -1.784 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.705 -0.642 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.411 -0.298 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.513 -1.645 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.846 -2.033 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.139 -2.178 3.308 1.00 0.00 H new ATOM 765 N TYR A 48 5.029 1.317 -0.786 1.00 0.00 N ATOM 766 CA TYR A 48 6.133 1.367 -1.734 1.00 0.00 C ATOM 767 C TYR A 48 6.233 2.759 -2.351 1.00 0.00 C ATOM 768 O TYR A 48 7.275 3.144 -2.883 1.00 0.00 O ATOM 769 CB TYR A 48 5.918 0.302 -2.821 1.00 0.00 C ATOM 770 CG TYR A 48 7.011 0.219 -3.870 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.167 -0.519 -3.645 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.877 0.872 -5.089 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.159 -0.603 -4.606 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.862 0.792 -6.054 1.00 0.00 C ATOM 775 CZ TYR A 48 9.000 0.055 -5.808 1.00 0.00 C ATOM 776 OH TYR A 48 9.984 -0.020 -6.768 1.00 0.00 O ATOM 0 H TYR A 48 4.141 1.009 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 48 7.069 1.159 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.824 -0.671 -2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.971 0.503 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.293 -1.035 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.987 1.452 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.052 -1.180 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.741 1.305 -6.997 1.00 0.00 H new ATOM 0 HH TYR A 48 9.714 0.499 -7.554 1.00 0.00 H new ATOM 786 N GLY A 49 5.143 3.512 -2.269 1.00 0.00 N ATOM 787 CA GLY A 49 5.067 4.778 -2.961 1.00 0.00 C ATOM 788 C GLY A 49 5.274 6.000 -2.079 1.00 0.00 C ATOM 789 O GLY A 49 6.337 6.623 -2.108 1.00 0.00 O ATOM 0 H GLY A 49 4.310 3.265 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.815 4.788 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.092 4.855 -3.442 1.00 0.00 H new ATOM 793 N LEU A 50 4.259 6.337 -1.288 1.00 0.00 N ATOM 794 CA LEU A 50 4.164 7.668 -0.699 1.00 0.00 C ATOM 795 C LEU A 50 4.555 7.715 0.780 1.00 0.00 C ATOM 796 O LEU A 50 5.640 8.186 1.121 1.00 0.00 O ATOM 797 CB LEU A 50 2.742 8.230 -0.871 1.00 0.00 C ATOM 798 CG LEU A 50 2.373 8.756 -2.271 1.00 0.00 C ATOM 799 CD1 LEU A 50 3.375 9.793 -2.735 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.273 7.631 -3.288 1.00 0.00 C ATOM 0 H LEU A 50 3.494 5.709 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 50 4.884 8.284 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.032 7.448 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.608 9.041 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 50 1.391 9.223 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.096 10.151 -3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.383 10.629 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.368 9.346 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.011 8.044 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.232 7.117 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.504 6.924 -2.975 1.00 0.00 H new ATOM 812 N ILE A 51 3.676 7.241 1.659 1.00 0.00 N ATOM 813 CA ILE A 51 3.844 7.487 3.090 1.00 0.00 C ATOM 814 C ILE A 51 3.891 6.194 3.895 1.00 0.00 C ATOM 815 O ILE A 51 3.687 5.108 3.362 1.00 0.00 O ATOM 816 CB ILE A 51 2.726 8.401 3.664 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.382 7.660 3.784 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.568 9.654 2.812 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.737 7.300 2.465 1.00 0.00 C ATOM 0 H ILE A 51 2.852 6.693 1.412 1.00 0.00 H new ATOM 0 HA ILE A 51 4.802 7.998 3.187 1.00 0.00 H new ATOM 0 HB ILE A 51 3.030 8.693 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.537 6.746 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.690 8.281 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.781 10.281 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.507 10.208 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.304 9.370 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.204 6.782 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.545 8.208 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.404 6.650 1.899 1.00 0.00 H new ATOM 831 N THR A 52 4.146 6.326 5.190 1.00 0.00 N ATOM 832 CA THR A 52 4.272 5.174 6.064 1.00 0.00 C ATOM 833 C THR A 52 2.898 4.613 6.426 1.00 0.00 C ATOM 834 O THR A 52 1.869 5.259 6.203 1.00 0.00 O ATOM 835 CB THR A 52 5.041 5.529 7.356 1.00 0.00 C ATOM 836 OG1 THR A 52 4.410 6.628 8.029 1.00 0.00 O ATOM 837 CG2 THR A 52 6.490 5.887 7.050 1.00 0.00 C ATOM 0 H THR A 52 4.270 7.224 5.657 1.00 0.00 H new ATOM 0 HA THR A 52 4.836 4.416 5.520 1.00 0.00 H new ATOM 0 HB THR A 52 5.026 4.652 8.002 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.584 7.457 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.008 6.133 7.977 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.982 5.039 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.519 6.746 6.380 1.00 0.00 H new ATOM 845 N LEU A 53 2.888 3.422 7.005 1.00 0.00 N ATOM 846 CA LEU A 53 1.643 2.747 7.340 1.00 0.00 C ATOM 847 C LEU A 53 0.899 3.503 8.429 1.00 0.00 C ATOM 848 O LEU A 53 -0.322 3.510 8.454 1.00 0.00 O ATOM 849 CB LEU A 53 1.914 1.309 7.791 1.00 0.00 C ATOM 850 CG LEU A 53 0.678 0.505 8.209 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.283 0.354 7.040 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.089 -0.856 8.749 1.00 0.00 C ATOM 0 H LEU A 53 3.730 2.902 7.253 1.00 0.00 H new ATOM 0 HA LEU A 53 1.021 2.722 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.413 0.780 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.610 1.335 8.629 1.00 0.00 H new ATOM 0 HG LEU A 53 0.164 1.048 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.154 -0.220 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.601 1.340 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.217 -0.167 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.200 -1.415 9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.626 -1.407 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.736 -0.723 9.616 1.00 0.00 H new ATOM 864 N ALA A 54 1.643 4.146 9.325 1.00 0.00 N ATOM 865 CA ALA A 54 1.033 4.936 10.386 1.00 0.00 C ATOM 866 C ALA A 54 0.139 6.019 9.794 1.00 0.00 C ATOM 867 O ALA A 54 -1.010 6.200 10.203 1.00 0.00 O ATOM 868 CB ALA A 54 2.105 5.556 11.273 1.00 0.00 C ATOM 0 H ALA A 54 2.663 4.135 9.337 1.00 0.00 H new ATOM 0 HA ALA A 54 0.419 4.276 10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.631 6.143 12.060 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.708 4.766 11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.744 6.203 10.673 1.00 0.00 H new ATOM 874 N GLU A 55 0.669 6.704 8.792 1.00 0.00 N ATOM 875 CA GLU A 55 -0.041 7.791 8.137 1.00 0.00 C ATOM 876 C GLU A 55 -1.217 7.250 7.322 1.00 0.00 C ATOM 877 O GLU A 55 -2.311 7.813 7.333 1.00 0.00 O ATOM 878 CB GLU A 55 0.929 8.556 7.234 1.00 0.00 C ATOM 879 CG GLU A 55 2.192 8.998 7.959 1.00 0.00 C ATOM 880 CD GLU A 55 3.256 9.543 7.028 1.00 0.00 C ATOM 881 OE1 GLU A 55 4.008 8.736 6.435 1.00 0.00 O ATOM 882 OE2 GLU A 55 3.363 10.779 6.900 1.00 0.00 O ATOM 0 H GLU A 55 1.598 6.523 8.412 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.439 8.467 8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.204 7.926 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.424 9.432 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.934 9.762 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.601 8.152 8.512 1.00 0.00 H new ATOM 889 N ALA A 56 -0.993 6.132 6.646 1.00 0.00 N ATOM 890 CA ALA A 56 -1.995 5.558 5.751 1.00 0.00 C ATOM 891 C ALA A 56 -2.993 4.671 6.480 1.00 0.00 C ATOM 892 O ALA A 56 -3.972 4.259 5.888 1.00 0.00 O ATOM 893 CB ALA A 56 -1.312 4.771 4.648 1.00 0.00 C ATOM 0 H ALA A 56 -0.124 5.601 6.699 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.557 6.388 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.065 4.346 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.659 5.433 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.720 3.968 5.087 1.00 0.00 H new ATOM 899 N LYS A 57 -2.753 4.371 7.750 1.00 0.00 N ATOM 900 CA LYS A 57 -3.709 3.579 8.518 1.00 0.00 C ATOM 901 C LYS A 57 -4.642 4.492 9.302 1.00 0.00 C ATOM 902 O LYS A 57 -5.843 4.241 9.401 1.00 0.00 O ATOM 903 CB LYS A 57 -3.002 2.600 9.460 1.00 0.00 C ATOM 904 CG LYS A 57 -3.942 1.572 10.072 1.00 0.00 C ATOM 905 CD LYS A 57 -3.182 0.507 10.844 1.00 0.00 C ATOM 906 CE LYS A 57 -2.579 1.056 12.131 1.00 0.00 C ATOM 907 NZ LYS A 57 -3.623 1.419 13.126 1.00 0.00 N ATOM 0 H LYS A 57 -1.920 4.657 8.264 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.297 2.992 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.215 2.082 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.517 3.161 10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.645 2.072 10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.529 1.101 9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.854 -0.318 11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.389 0.101 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.909 0.313 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.975 1.934 11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.219 1.378 14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.964 2.383 12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.417 0.751 13.056 1.00 0.00 H new ATOM 921 N GLN A 58 -4.097 5.564 9.845 1.00 0.00 N ATOM 922 CA GLN A 58 -4.915 6.535 10.547 1.00 0.00 C ATOM 923 C GLN A 58 -5.683 7.405 9.550 1.00 0.00 C ATOM 924 O GLN A 58 -6.689 8.023 9.899 1.00 0.00 O ATOM 925 CB GLN A 58 -4.062 7.384 11.493 1.00 0.00 C ATOM 926 CG GLN A 58 -3.854 6.748 12.868 1.00 0.00 C ATOM 927 CD GLN A 58 -3.159 5.396 12.820 1.00 0.00 C ATOM 928 OE1 GLN A 58 -3.800 4.350 12.697 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.842 5.407 12.944 1.00 0.00 N ATOM 0 H GLN A 58 -3.101 5.784 9.815 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.644 6.001 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.090 7.560 11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.535 8.358 11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.266 7.426 13.487 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.823 6.631 13.354 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.347 6.293 13.044 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.322 4.530 12.940 1.00 0.00 H new ATOM 938 N THR A 59 -5.214 7.439 8.304 1.00 0.00 N ATOM 939 CA THR A 59 -5.925 8.147 7.248 1.00 0.00 C ATOM 940 C THR A 59 -6.727 7.174 6.373 1.00 0.00 C ATOM 941 O THR A 59 -7.956 7.200 6.382 1.00 0.00 O ATOM 942 CB THR A 59 -4.962 8.962 6.365 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.121 9.778 7.194 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.731 9.846 5.393 1.00 0.00 C ATOM 0 H THR A 59 -4.350 6.987 8.005 1.00 0.00 H new ATOM 0 HA THR A 59 -6.614 8.836 7.736 1.00 0.00 H new ATOM 0 HB THR A 59 -4.351 8.266 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.374 9.241 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.028 10.411 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.353 9.224 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.363 10.537 5.951 1.00 0.00 H new ATOM 952 N TYR A 60 -6.036 6.305 5.633 1.00 0.00 N ATOM 953 CA TYR A 60 -6.711 5.386 4.712 1.00 0.00 C ATOM 954 C TYR A 60 -6.817 3.983 5.295 1.00 0.00 C ATOM 955 O TYR A 60 -7.085 3.030 4.570 1.00 0.00 O ATOM 956 CB TYR A 60 -5.979 5.276 3.370 1.00 0.00 C ATOM 957 CG TYR A 60 -5.831 6.569 2.597 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.834 6.997 1.739 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.684 7.345 2.703 1.00 0.00 C ATOM 960 CE1 TYR A 60 -6.700 8.160 1.006 1.00 0.00 C ATOM 961 CE2 TYR A 60 -4.540 8.509 1.970 1.00 0.00 C ATOM 962 CZ TYR A 60 -5.552 8.914 1.126 1.00 0.00 C ATOM 963 OH TYR A 60 -5.413 10.068 0.386 1.00 0.00 O ATOM 0 H TYR A 60 -5.020 6.218 5.652 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.705 5.805 4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.985 4.866 3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.510 4.559 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.736 6.410 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.892 7.035 3.368 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.491 8.477 0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.639 9.098 2.058 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.275 10.305 -0.016 1.00 0.00 H new ATOM 973 N GLY A 61 -6.608 3.856 6.600 1.00 0.00 N ATOM 974 CA GLY A 61 -6.486 2.542 7.201 1.00 0.00 C ATOM 975 C GLY A 61 -7.789 1.789 7.273 1.00 0.00 C ATOM 976 O GLY A 61 -7.778 0.584 7.491 1.00 0.00 O ATOM 0 H GLY A 61 -6.521 4.637 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.768 1.955 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.081 2.648 8.207 1.00 0.00 H new ATOM 980 N LEU A 62 -8.902 2.504 7.076 1.00 0.00 N ATOM 981 CA LEU A 62 -10.241 1.909 7.096 1.00 0.00 C ATOM 982 C LEU A 62 -10.459 1.159 8.410 1.00 0.00 C ATOM 983 O LEU A 62 -10.872 1.747 9.412 1.00 0.00 O ATOM 984 CB LEU A 62 -10.434 0.959 5.902 1.00 0.00 C ATOM 985 CG LEU A 62 -9.501 1.205 4.715 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.627 -0.010 4.469 1.00 0.00 C ATOM 987 CD2 LEU A 62 -10.284 1.552 3.465 1.00 0.00 C ATOM 0 H LEU A 62 -8.899 3.508 6.899 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.977 2.709 7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.294 -0.065 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.465 1.041 5.556 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.863 2.054 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.969 0.181 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.027 -0.212 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.256 -0.873 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.594 1.721 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.954 0.729 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.868 2.455 3.641 1.00 0.00 H new ATOM 999 N SER A 63 -10.158 -0.130 8.398 1.00 0.00 N ATOM 1000 CA SER A 63 -10.098 -0.925 9.604 1.00 0.00 C ATOM 1001 C SER A 63 -8.746 -1.635 9.636 1.00 0.00 C ATOM 1002 O SER A 63 -8.254 -2.051 8.590 1.00 0.00 O ATOM 1003 CB SER A 63 -11.237 -1.943 9.624 1.00 0.00 C ATOM 1004 OG SER A 63 -12.446 -1.372 9.138 1.00 0.00 O ATOM 0 H SER A 63 -9.949 -0.651 7.547 1.00 0.00 H new ATOM 0 HA SER A 63 -10.206 -0.288 10.482 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.968 -2.805 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.386 -2.306 10.641 1.00 0.00 H new ATOM 0 HG SER A 63 -12.450 -1.399 8.158 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.151 -1.753 10.819 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.802 -2.315 10.969 1.00 0.00 C ATOM 1012 C ASP A 64 -6.628 -3.612 10.185 1.00 0.00 C ATOM 1013 O ASP A 64 -5.807 -3.684 9.272 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.476 -2.561 12.446 1.00 0.00 C ATOM 1015 CG ASP A 64 -6.151 -1.283 13.194 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -7.091 -0.613 13.671 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.949 -0.944 13.311 1.00 0.00 O ATOM 0 H ASP A 64 -8.582 -1.466 11.698 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.109 -1.579 10.561 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.324 -3.051 12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.630 -3.245 12.518 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.415 -4.624 10.523 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.293 -5.928 9.879 1.00 0.00 C ATOM 1024 C GLU A 65 -7.772 -5.876 8.433 1.00 0.00 C ATOM 1025 O GLU A 65 -7.304 -6.635 7.590 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.076 -6.979 10.660 1.00 0.00 C ATOM 1027 CG GLU A 65 -7.546 -7.204 12.063 1.00 0.00 C ATOM 1028 CD GLU A 65 -6.139 -7.768 12.071 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -5.180 -6.993 11.866 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -5.984 -8.991 12.282 1.00 0.00 O ATOM 0 H GLU A 65 -8.142 -4.570 11.236 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.239 -6.204 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.121 -6.674 10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.049 -7.922 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.558 -6.260 12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.210 -7.887 12.593 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.713 -4.984 8.164 1.00 0.00 N ATOM 1038 CA GLU A 66 -9.201 -4.752 6.806 1.00 0.00 C ATOM 1039 C GLU A 66 -8.051 -4.340 5.886 1.00 0.00 C ATOM 1040 O GLU A 66 -7.892 -4.885 4.796 1.00 0.00 O ATOM 1041 CB GLU A 66 -10.287 -3.669 6.830 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.967 -3.404 5.499 1.00 0.00 C ATOM 1043 CD GLU A 66 -12.264 -2.636 5.672 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -12.247 -1.558 6.308 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -13.313 -3.113 5.188 1.00 0.00 O ATOM 0 H GLU A 66 -9.160 -4.402 8.873 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.629 -5.676 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.047 -3.955 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.842 -2.739 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.294 -2.840 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.169 -4.351 4.999 1.00 0.00 H new ATOM 1052 N PHE A 67 -7.237 -3.400 6.349 1.00 0.00 N ATOM 1053 CA PHE A 67 -6.087 -2.933 5.586 1.00 0.00 C ATOM 1054 C PHE A 67 -4.993 -4.002 5.594 1.00 0.00 C ATOM 1055 O PHE A 67 -4.362 -4.276 4.570 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.555 -1.624 6.184 1.00 0.00 C ATOM 1057 CG PHE A 67 -4.586 -0.892 5.293 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -3.239 -1.226 5.279 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -5.025 0.133 4.472 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -2.353 -0.551 4.460 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -4.144 0.811 3.653 1.00 0.00 C ATOM 1062 CZ PHE A 67 -2.807 0.470 3.646 1.00 0.00 C ATOM 0 H PHE A 67 -7.353 -2.944 7.254 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.393 -2.747 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.397 -0.968 6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.066 -1.843 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.879 -2.022 5.915 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.070 0.406 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.307 -0.821 4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.501 1.608 3.018 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.117 1.000 3.006 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.784 -4.613 6.762 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.794 -5.684 6.916 1.00 0.00 C ATOM 1074 C ASN A 68 -4.128 -6.872 6.021 1.00 0.00 C ATOM 1075 O ASN A 68 -3.243 -7.633 5.627 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.706 -6.154 8.375 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.036 -5.140 9.290 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.162 -4.382 8.866 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.425 -5.126 10.559 1.00 0.00 N ATOM 0 H ASN A 68 -5.288 -4.384 7.618 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.829 -5.274 6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.710 -6.360 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.152 -7.092 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.997 -4.474 11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.152 -5.767 10.877 1.00 0.00 H new ATOM 1086 N SER A 69 -5.407 -7.028 5.706 1.00 0.00 N ATOM 1087 CA SER A 69 -5.861 -8.093 4.823 1.00 0.00 C ATOM 1088 C SER A 69 -5.280 -7.906 3.426 1.00 0.00 C ATOM 1089 O SER A 69 -4.987 -8.879 2.727 1.00 0.00 O ATOM 1090 CB SER A 69 -7.394 -8.113 4.767 1.00 0.00 C ATOM 1091 OG SER A 69 -7.870 -9.182 3.967 1.00 0.00 O ATOM 0 H SER A 69 -6.153 -6.425 6.052 1.00 0.00 H new ATOM 0 HA SER A 69 -5.513 -9.048 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.795 -8.206 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.757 -7.167 4.366 1.00 0.00 H new ATOM 0 HG SER A 69 -8.850 -9.169 3.952 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.092 -6.655 3.026 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.544 -6.360 1.711 1.00 0.00 C ATOM 1099 C TRP A 70 -3.065 -6.726 1.683 1.00 0.00 C ATOM 1100 O TRP A 70 -2.579 -7.346 0.733 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.726 -4.878 1.368 1.00 0.00 C ATOM 1102 CG TRP A 70 -6.146 -4.389 1.467 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.268 -5.133 1.717 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.591 -3.039 1.311 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.375 -4.319 1.741 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.986 -3.034 1.487 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.942 -1.831 1.042 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.743 -1.869 1.403 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.695 -0.677 0.957 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -8.082 -0.702 1.136 1.00 0.00 C ATOM 0 H TRP A 70 -5.310 -5.834 3.590 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.079 -6.950 0.967 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -4.102 -4.283 2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.364 -4.705 0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.281 -6.202 1.872 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.332 -4.624 1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.871 -1.801 0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.814 -1.886 1.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.204 0.262 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.642 0.219 1.062 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.368 -6.368 2.752 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.942 -6.639 2.871 1.00 0.00 C ATOM 1123 C VAL A 71 -0.686 -8.137 2.973 1.00 0.00 C ATOM 1124 O VAL A 71 0.233 -8.659 2.349 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.333 -5.952 4.108 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.182 -6.060 4.096 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.773 -4.499 4.201 1.00 0.00 C ATOM 0 H VAL A 71 -2.771 -5.885 3.555 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.469 -6.239 1.974 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.702 -6.469 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.589 -5.568 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.472 -7.111 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.574 -5.579 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.328 -4.040 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.448 -3.963 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.859 -4.452 4.276 1.00 0.00 H new ATOM 1137 N SER A 72 -1.513 -8.832 3.746 1.00 0.00 N ATOM 1138 CA SER A 72 -1.338 -10.263 3.956 1.00 0.00 C ATOM 1139 C SER A 72 -1.644 -11.049 2.680 1.00 0.00 C ATOM 1140 O SER A 72 -1.131 -12.153 2.484 1.00 0.00 O ATOM 1141 CB SER A 72 -2.211 -10.741 5.118 1.00 0.00 C ATOM 1142 OG SER A 72 -3.548 -10.308 4.969 1.00 0.00 O ATOM 0 H SER A 72 -2.310 -8.427 4.237 1.00 0.00 H new ATOM 0 HA SER A 72 -0.294 -10.446 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.183 -11.829 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.807 -10.364 6.058 1.00 0.00 H new ATOM 0 HG SER A 72 -3.625 -9.377 5.266 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.462 -10.471 1.804 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.736 -11.080 0.511 1.00 0.00 C ATOM 1150 C ALA A 73 -1.521 -10.919 -0.391 1.00 0.00 C ATOM 1151 O ALA A 73 -1.207 -11.790 -1.205 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.971 -10.457 -0.127 1.00 0.00 C ATOM 0 H ALA A 73 -2.943 -9.586 1.967 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.936 -12.142 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.158 -10.927 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.832 -10.609 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.808 -9.389 -0.269 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.826 -9.806 -0.213 1.00 0.00 N ATOM 1159 CA LEU A 74 0.388 -9.513 -0.960 1.00 0.00 C ATOM 1160 C LEU A 74 1.597 -10.192 -0.321 1.00 0.00 C ATOM 1161 O LEU A 74 2.667 -10.283 -0.924 1.00 0.00 O ATOM 1162 CB LEU A 74 0.598 -8.004 -1.012 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.457 -7.243 -1.811 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.238 -5.750 -1.685 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.432 -7.670 -3.271 1.00 0.00 C ATOM 0 H LEU A 74 -1.088 -9.080 0.454 1.00 0.00 H new ATOM 0 HA LEU A 74 0.280 -9.901 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.612 -7.617 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.578 -7.801 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.440 -7.481 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.998 -5.221 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.308 -5.459 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.750 -5.494 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.191 -7.117 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.551 -7.461 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.638 -8.738 -3.341 1.00 0.00 H new ATOM 1177 N ALA A 75 1.417 -10.656 0.908 1.00 0.00 N ATOM 1178 CA ALA A 75 2.465 -11.367 1.625 1.00 0.00 C ATOM 1179 C ALA A 75 2.553 -12.804 1.149 1.00 0.00 C ATOM 1180 O ALA A 75 3.589 -13.453 1.306 1.00 0.00 O ATOM 1181 CB ALA A 75 2.208 -11.334 3.124 1.00 0.00 C ATOM 0 H ALA A 75 0.548 -10.551 1.432 1.00 0.00 H new ATOM 0 HA ALA A 75 3.413 -10.868 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.003 -11.871 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.186 -10.300 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.250 -11.808 3.339 1.00 0.00 H new ATOM 1187 N GLU A 76 1.446 -13.286 0.583 1.00 0.00 N ATOM 1188 CA GLU A 76 1.336 -14.653 0.074 1.00 0.00 C ATOM 1189 C GLU A 76 1.322 -15.661 1.219 1.00 0.00 C ATOM 1190 O GLU A 76 0.308 -16.308 1.479 1.00 0.00 O ATOM 1191 CB GLU A 76 2.472 -14.966 -0.904 1.00 0.00 C ATOM 1192 CG GLU A 76 2.302 -16.277 -1.648 1.00 0.00 C ATOM 1193 CD GLU A 76 3.507 -16.617 -2.494 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.734 -15.937 -3.517 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.249 -17.549 -2.125 1.00 0.00 O ATOM 0 H GLU A 76 0.596 -12.735 0.464 1.00 0.00 H new ATOM 0 HA GLU A 76 0.391 -14.734 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.547 -14.156 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.414 -14.991 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.126 -17.079 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.419 -16.219 -2.284 1.00 0.00 H new ATOM 1202 N HIS A 77 2.442 -15.769 1.915 1.00 0.00 N ATOM 1203 CA HIS A 77 2.588 -16.743 2.985 1.00 0.00 C ATOM 1204 C HIS A 77 2.238 -16.123 4.338 1.00 0.00 C ATOM 1205 O HIS A 77 1.959 -16.834 5.303 1.00 0.00 O ATOM 1206 CB HIS A 77 4.011 -17.300 3.000 1.00 0.00 C ATOM 1207 CG HIS A 77 4.072 -18.771 3.275 1.00 0.00 C ATOM 1208 ND1 HIS A 77 4.807 -19.320 4.301 1.00 0.00 N ATOM 1209 CD2 HIS A 77 3.490 -19.811 2.635 1.00 0.00 C ATOM 1210 CE1 HIS A 77 4.676 -20.634 4.279 1.00 0.00 C ATOM 1211 NE2 HIS A 77 3.880 -20.959 3.279 1.00 0.00 N ATOM 0 H HIS A 77 3.267 -15.191 1.757 1.00 0.00 H new ATOM 0 HA HIS A 77 1.894 -17.563 2.802 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.482 -17.098 2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.592 -16.772 3.757 1.00 0.00 H new ATOM 0 HD1 HIS A 77 5.366 -18.794 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.839 -19.750 1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.142 -21.326 4.965 1.00 0.00 H new ATOM 1220 N GLY A 78 2.278 -14.798 4.406 1.00 0.00 N ATOM 1221 CA GLY A 78 1.820 -14.098 5.596 1.00 0.00 C ATOM 1222 C GLY A 78 2.908 -13.881 6.633 1.00 0.00 C ATOM 1223 O GLY A 78 3.473 -12.794 6.730 1.00 0.00 O ATOM 0 H GLY A 78 2.619 -14.193 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.411 -13.131 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.006 -14.664 6.049 1.00 0.00 H new ATOM 1227 N LYS A 79 3.204 -14.923 7.404 1.00 0.00 N ATOM 1228 CA LYS A 79 4.132 -14.817 8.531 1.00 0.00 C ATOM 1229 C LYS A 79 5.562 -14.592 8.046 1.00 0.00 C ATOM 1230 O LYS A 79 6.394 -14.023 8.757 1.00 0.00 O ATOM 1231 CB LYS A 79 4.054 -16.080 9.395 1.00 0.00 C ATOM 1232 CG LYS A 79 4.836 -15.988 10.697 1.00 0.00 C ATOM 1233 CD LYS A 79 4.603 -17.212 11.566 1.00 0.00 C ATOM 1234 CE LYS A 79 5.261 -17.065 12.930 1.00 0.00 C ATOM 1235 NZ LYS A 79 4.909 -18.191 13.836 1.00 0.00 N ATOM 0 H LYS A 79 2.814 -15.856 7.270 1.00 0.00 H new ATOM 0 HA LYS A 79 3.843 -13.956 9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.009 -16.287 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.427 -16.926 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.900 -15.891 10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.538 -15.091 11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.532 -17.370 11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.998 -18.095 11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.343 -17.020 12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.952 -16.123 13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.376 -18.056 14.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.878 -18.218 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.226 -19.087 13.415 1.00 0.00 H new ATOM 1249 N ASP A 80 5.828 -15.015 6.821 1.00 0.00 N ATOM 1250 CA ASP A 80 7.136 -14.832 6.190 1.00 0.00 C ATOM 1251 C ASP A 80 7.284 -13.402 5.678 1.00 0.00 C ATOM 1252 O ASP A 80 7.970 -13.155 4.684 1.00 0.00 O ATOM 1253 CB ASP A 80 7.298 -15.805 5.019 1.00 0.00 C ATOM 1254 CG ASP A 80 7.184 -17.257 5.436 1.00 0.00 C ATOM 1255 OD1 ASP A 80 6.076 -17.684 5.830 1.00 0.00 O ATOM 1256 OD2 ASP A 80 8.191 -17.984 5.352 1.00 0.00 O ATOM 0 H ASP A 80 5.148 -15.495 6.232 1.00 0.00 H new ATOM 0 HA ASP A 80 7.906 -15.029 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.540 -15.588 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.269 -15.642 4.550 1.00 0.00 H new ATOM 1261 N ALA A 81 6.665 -12.464 6.389 1.00 0.00 N ATOM 1262 CA ALA A 81 6.626 -11.059 5.992 1.00 0.00 C ATOM 1263 C ALA A 81 8.023 -10.457 5.906 1.00 0.00 C ATOM 1264 O ALA A 81 8.221 -9.421 5.278 1.00 0.00 O ATOM 1265 CB ALA A 81 5.762 -10.273 6.965 1.00 0.00 C ATOM 0 H ALA A 81 6.174 -12.658 7.262 1.00 0.00 H new ATOM 0 HA ALA A 81 6.189 -11.001 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.736 -9.226 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.750 -10.677 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.180 -10.352 7.969 1.00 0.00 H new ATOM 1271 N LEU A 82 8.990 -11.123 6.518 1.00 0.00 N ATOM 1272 CA LEU A 82 10.372 -10.663 6.504 1.00 0.00 C ATOM 1273 C LEU A 82 10.988 -10.858 5.119 1.00 0.00 C ATOM 1274 O LEU A 82 11.950 -10.185 4.749 1.00 0.00 O ATOM 1275 CB LEU A 82 11.186 -11.422 7.553 1.00 0.00 C ATOM 1276 CG LEU A 82 10.632 -11.351 8.978 1.00 0.00 C ATOM 1277 CD1 LEU A 82 11.466 -12.210 9.919 1.00 0.00 C ATOM 1278 CD2 LEU A 82 10.594 -9.911 9.470 1.00 0.00 C ATOM 0 H LEU A 82 8.842 -11.990 7.034 1.00 0.00 H new ATOM 0 HA LEU A 82 10.387 -9.600 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.248 -12.469 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.203 -11.030 7.555 1.00 0.00 H new ATOM 0 HG LEU A 82 9.613 -11.737 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.057 -12.147 10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.443 -13.246 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.496 -11.852 9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.197 -9.884 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.603 -9.498 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.955 -9.319 8.814 1.00 0.00 H new ATOM 1290 N LYS A 83 10.417 -11.787 4.362 1.00 0.00 N ATOM 1291 CA LYS A 83 10.892 -12.096 3.021 1.00 0.00 C ATOM 1292 C LYS A 83 9.908 -11.563 1.974 1.00 0.00 C ATOM 1293 O LYS A 83 10.142 -11.652 0.767 1.00 0.00 O ATOM 1294 CB LYS A 83 11.075 -13.615 2.892 1.00 0.00 C ATOM 1295 CG LYS A 83 11.667 -14.081 1.570 1.00 0.00 C ATOM 1296 CD LYS A 83 11.942 -15.581 1.579 1.00 0.00 C ATOM 1297 CE LYS A 83 10.686 -16.387 1.879 1.00 0.00 C ATOM 1298 NZ LYS A 83 9.668 -16.269 0.800 1.00 0.00 N ATOM 0 H LYS A 83 9.616 -12.344 4.659 1.00 0.00 H new ATOM 0 HA LYS A 83 11.852 -11.611 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.718 -13.958 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.106 -14.096 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.981 -13.841 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.594 -13.541 1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.344 -15.882 0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.704 -15.806 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.953 -17.436 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.255 -16.047 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.853 -16.874 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.355 -15.280 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.084 -16.570 -0.104 1.00 0.00 H new ATOM 1312 N VAL A 84 8.807 -10.999 2.446 1.00 0.00 N ATOM 1313 CA VAL A 84 7.794 -10.439 1.563 1.00 0.00 C ATOM 1314 C VAL A 84 8.256 -9.101 1.013 1.00 0.00 C ATOM 1315 O VAL A 84 8.580 -8.200 1.777 1.00 0.00 O ATOM 1316 CB VAL A 84 6.451 -10.255 2.295 1.00 0.00 C ATOM 1317 CG1 VAL A 84 5.434 -9.540 1.418 1.00 0.00 C ATOM 1318 CG2 VAL A 84 5.912 -11.596 2.747 1.00 0.00 C ATOM 0 H VAL A 84 8.591 -10.917 3.439 1.00 0.00 H new ATOM 0 HA VAL A 84 7.648 -11.141 0.742 1.00 0.00 H new ATOM 0 HB VAL A 84 6.629 -9.632 3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.498 -9.427 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.816 -8.556 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.258 -10.124 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.963 -11.451 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.759 -12.238 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.625 -12.065 3.425 1.00 0.00 H new ATOM 1328 N THR A 85 8.266 -8.983 -0.309 1.00 0.00 N ATOM 1329 CA THR A 85 8.768 -7.798 -0.991 1.00 0.00 C ATOM 1330 C THR A 85 8.181 -6.506 -0.415 1.00 0.00 C ATOM 1331 O THR A 85 8.921 -5.642 0.046 1.00 0.00 O ATOM 1332 CB THR A 85 8.449 -7.872 -2.495 1.00 0.00 C ATOM 1333 OG1 THR A 85 8.760 -9.181 -2.988 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.244 -6.838 -3.277 1.00 0.00 C ATOM 0 H THR A 85 7.925 -9.709 -0.939 1.00 0.00 H new ATOM 0 HA THR A 85 9.847 -7.777 -0.838 1.00 0.00 H new ATOM 0 HB THR A 85 7.387 -7.664 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.555 -9.227 -3.945 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.998 -6.914 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.995 -5.840 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.310 -7.018 -3.139 1.00 0.00 H new ATOM 1342 N ALA A 86 6.854 -6.395 -0.419 1.00 0.00 N ATOM 1343 CA ALA A 86 6.177 -5.168 0.012 1.00 0.00 C ATOM 1344 C ALA A 86 6.494 -4.804 1.464 1.00 0.00 C ATOM 1345 O ALA A 86 6.630 -3.627 1.803 1.00 0.00 O ATOM 1346 CB ALA A 86 4.677 -5.310 -0.174 1.00 0.00 C ATOM 0 H ALA A 86 6.223 -7.140 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 86 6.551 -4.356 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.182 -4.394 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.456 -5.490 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.314 -6.148 0.422 1.00 0.00 H new ATOM 1352 N LEU A 87 6.646 -5.811 2.308 1.00 0.00 N ATOM 1353 CA LEU A 87 6.839 -5.582 3.734 1.00 0.00 C ATOM 1354 C LEU A 87 8.315 -5.328 4.002 1.00 0.00 C ATOM 1355 O LEU A 87 8.680 -4.459 4.794 1.00 0.00 O ATOM 1356 CB LEU A 87 6.327 -6.791 4.534 1.00 0.00 C ATOM 1357 CG LEU A 87 6.035 -6.551 6.025 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.319 -6.447 6.837 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.190 -5.300 6.205 1.00 0.00 C ATOM 0 H LEU A 87 6.640 -6.793 2.033 1.00 0.00 H new ATOM 0 HA LEU A 87 6.271 -4.708 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.414 -7.152 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.064 -7.590 4.455 1.00 0.00 H new ATOM 0 HG LEU A 87 5.477 -7.411 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.074 -6.277 7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.886 -7.373 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.918 -5.616 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.992 -5.144 7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.725 -4.439 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.246 -5.419 5.673 1.00 0.00 H new ATOM 1371 N LYS A 88 9.152 -6.087 3.316 1.00 0.00 N ATOM 1372 CA LYS A 88 10.591 -5.911 3.380 1.00 0.00 C ATOM 1373 C LYS A 88 10.969 -4.502 2.929 1.00 0.00 C ATOM 1374 O LYS A 88 11.873 -3.884 3.490 1.00 0.00 O ATOM 1375 CB LYS A 88 11.276 -6.967 2.508 1.00 0.00 C ATOM 1376 CG LYS A 88 12.777 -6.793 2.386 1.00 0.00 C ATOM 1377 CD LYS A 88 13.387 -7.883 1.520 1.00 0.00 C ATOM 1378 CE LYS A 88 14.805 -7.536 1.101 1.00 0.00 C ATOM 1379 NZ LYS A 88 15.713 -7.348 2.265 1.00 0.00 N ATOM 0 H LYS A 88 8.852 -6.842 2.699 1.00 0.00 H new ATOM 0 HA LYS A 88 10.927 -6.038 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.068 -7.954 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.836 -6.940 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.999 -5.816 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.230 -6.816 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.389 -8.825 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.771 -8.031 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.196 -8.329 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.791 -6.624 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.687 -7.214 1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.416 -6.511 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.671 -8.188 2.877 1.00 0.00 H new ATOM 1393 N LYS A 89 10.253 -3.993 1.930 1.00 0.00 N ATOM 1394 CA LYS A 89 10.466 -2.624 1.459 1.00 0.00 C ATOM 1395 C LYS A 89 10.107 -1.631 2.548 1.00 0.00 C ATOM 1396 O LYS A 89 10.870 -0.711 2.838 1.00 0.00 O ATOM 1397 CB LYS A 89 9.622 -2.330 0.215 1.00 0.00 C ATOM 1398 CG LYS A 89 10.032 -3.099 -1.034 1.00 0.00 C ATOM 1399 CD LYS A 89 11.333 -2.582 -1.628 1.00 0.00 C ATOM 1400 CE LYS A 89 11.630 -3.262 -2.958 1.00 0.00 C ATOM 1401 NZ LYS A 89 12.794 -2.657 -3.657 1.00 0.00 N ATOM 0 H LYS A 89 9.524 -4.503 1.432 1.00 0.00 H new ATOM 0 HA LYS A 89 11.520 -2.523 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.580 -2.558 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.676 -1.263 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.142 -4.155 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.240 -3.026 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.268 -1.504 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.152 -2.762 -0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.823 -4.321 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.751 -3.198 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.956 -3.154 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.602 -1.653 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.640 -2.740 -3.058 1.00 0.00 H new ATOM 1415 N TYR A 90 8.950 -1.838 3.163 1.00 0.00 N ATOM 1416 CA TYR A 90 8.463 -0.932 4.191 1.00 0.00 C ATOM 1417 C TYR A 90 9.419 -0.869 5.377 1.00 0.00 C ATOM 1418 O TYR A 90 9.786 0.215 5.824 1.00 0.00 O ATOM 1419 CB TYR A 90 7.075 -1.356 4.671 1.00 0.00 C ATOM 1420 CG TYR A 90 6.488 -0.408 5.694 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.118 0.883 5.335 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.320 -0.795 7.017 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.598 1.760 6.266 1.00 0.00 C ATOM 1424 CE2 TYR A 90 5.804 0.081 7.955 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.444 1.354 7.574 1.00 0.00 C ATOM 1426 OH TYR A 90 4.940 2.233 8.509 1.00 0.00 O ATOM 0 H TYR A 90 8.332 -2.626 2.967 1.00 0.00 H new ATOM 0 HA TYR A 90 8.401 0.061 3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.404 -1.418 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.135 -2.355 5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.239 1.205 4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.596 -1.795 7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.313 2.759 5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.684 -0.232 8.982 1.00 0.00 H new ATOM 0 HH TYR A 90 4.894 1.791 9.382 1.00 0.00 H new ATOM 1436 N ARG A 91 9.825 -2.028 5.884 1.00 0.00 N ATOM 1437 CA ARG A 91 10.672 -2.066 7.068 1.00 0.00 C ATOM 1438 C ARG A 91 12.082 -1.571 6.754 1.00 0.00 C ATOM 1439 O ARG A 91 12.706 -0.905 7.579 1.00 0.00 O ATOM 1440 CB ARG A 91 10.724 -3.472 7.671 1.00 0.00 C ATOM 1441 CG ARG A 91 11.437 -3.507 9.014 1.00 0.00 C ATOM 1442 CD ARG A 91 11.400 -4.884 9.655 1.00 0.00 C ATOM 1443 NE ARG A 91 12.040 -4.867 10.970 1.00 0.00 N ATOM 1444 CZ ARG A 91 12.358 -5.955 11.672 1.00 0.00 C ATOM 1445 NH1 ARG A 91 12.079 -7.166 11.202 1.00 0.00 N ATOM 1446 NH2 ARG A 91 12.953 -5.825 12.849 1.00 0.00 N ATOM 0 H ARG A 91 9.585 -2.942 5.499 1.00 0.00 H new ATOM 0 HA ARG A 91 10.229 -1.396 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.708 -3.849 7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.231 -4.142 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.474 -3.200 8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.975 -2.784 9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.366 -5.215 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.905 -5.603 9.010 1.00 0.00 H new ATOM 0 HE ARG A 91 12.259 -3.958 11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.618 -7.268 10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.326 -7.993 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.165 -4.896 13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.199 -6.654 13.391 1.00 0.00 H new ATOM 1460 N GLN A 92 12.579 -1.883 5.560 1.00 0.00 N ATOM 1461 CA GLN A 92 13.899 -1.417 5.138 1.00 0.00 C ATOM 1462 C GLN A 92 13.895 0.105 5.020 1.00 0.00 C ATOM 1463 O GLN A 92 14.854 0.778 5.399 1.00 0.00 O ATOM 1464 CB GLN A 92 14.289 -2.043 3.795 1.00 0.00 C ATOM 1465 CG GLN A 92 15.724 -1.759 3.381 1.00 0.00 C ATOM 1466 CD GLN A 92 16.736 -2.431 4.287 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.488 -3.505 4.834 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.881 -1.795 4.464 1.00 0.00 N ATOM 0 H GLN A 92 12.091 -2.454 4.870 1.00 0.00 H new ATOM 0 HA GLN A 92 14.631 -1.720 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.143 -3.122 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.617 -1.671 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.877 -2.099 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.894 -0.682 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.049 -0.906 3.993 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.597 -2.193 5.072 1.00 0.00 H new ATOM 1477 N LEU A 93 12.793 0.634 4.506 1.00 0.00 N ATOM 1478 CA LEU A 93 12.625 2.070 4.350 1.00 0.00 C ATOM 1479 C LEU A 93 12.371 2.740 5.704 1.00 0.00 C ATOM 1480 O LEU A 93 12.583 3.941 5.864 1.00 0.00 O ATOM 1481 CB LEU A 93 11.474 2.349 3.372 1.00 0.00 C ATOM 1482 CG LEU A 93 11.123 3.823 3.154 1.00 0.00 C ATOM 1483 CD1 LEU A 93 12.273 4.552 2.478 1.00 0.00 C ATOM 1484 CD2 LEU A 93 9.851 3.952 2.331 1.00 0.00 C ATOM 0 H LEU A 93 11.996 0.083 4.188 1.00 0.00 H new ATOM 0 HA LEU A 93 13.543 2.493 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.728 1.910 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.584 1.833 3.732 1.00 0.00 H new ATOM 0 HG LEU A 93 10.951 4.283 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.005 5.598 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.162 4.490 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.478 4.091 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.617 5.007 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.995 3.476 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.028 3.466 2.855 1.00 0.00 H new