USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 158:sc= -0.293 (180deg=-0.893) USER MOD Set 1.2: A 89 MET CE :methyl 145:sc= -0.213 (180deg=-0.662) USER MOD Single : A 15 SER OG : rot 25:sc= 0.0685 USER MOD Single : A 17 LYS NZ :NH3+ -166:sc=-0.00519 (180deg=-0.219) USER MOD Single : A 20 ASN : amide:sc= -1.78! C(o=-1.8!,f=-7.8!) USER MOD Single : A 22 THR OG1 : rot -39:sc= 0.478 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.244 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -87:sc= 0.039 USER MOD Single : A 44 TYR OH : rot 69:sc= 1.29 USER MOD Single : A 63 HIS : no HD1:sc= -1.95 K(o=-2,f=-7.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -169:sc= -1.25 (180deg=-1.66!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.443 6.610 5.518 1.00 0.00 N ATOM 204 CA SER A 15 10.348 6.627 4.556 1.00 0.00 C ATOM 205 C SER A 15 9.987 5.221 4.131 1.00 0.00 C ATOM 206 O SER A 15 10.841 4.403 3.795 1.00 0.00 O ATOM 207 CB SER A 15 10.632 7.545 3.365 1.00 0.00 C ATOM 208 OG SER A 15 10.868 8.860 3.824 1.00 0.00 O ATOM 0 HA SER A 15 9.477 7.053 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.498 7.182 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.787 7.536 2.677 1.00 0.00 H new ATOM 0 HG SER A 15 11.180 8.831 4.753 1.00 0.00 H new ATOM 214 N LEU A 16 8.681 4.957 4.154 1.00 0.00 N ATOM 215 CA LEU A 16 8.122 3.653 3.823 1.00 0.00 C ATOM 216 C LEU A 16 7.509 3.741 2.433 1.00 0.00 C ATOM 217 O LEU A 16 7.196 4.847 2.005 1.00 0.00 O ATOM 218 CB LEU A 16 7.100 3.326 4.916 1.00 0.00 C ATOM 219 CG LEU A 16 6.660 1.874 5.142 1.00 0.00 C ATOM 220 CD1 LEU A 16 5.369 1.530 4.412 1.00 0.00 C ATOM 221 CD2 LEU A 16 7.759 0.879 4.783 1.00 0.00 C ATOM 0 H LEU A 16 7.977 5.651 4.406 1.00 0.00 H new ATOM 0 HA LEU A 16 8.863 2.854 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.505 3.693 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.203 3.908 4.706 1.00 0.00 H new ATOM 0 HG LEU A 16 6.462 1.789 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.106 0.491 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.568 2.180 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.508 1.673 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.403 -0.136 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.024 0.993 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.637 1.068 5.401 1.00 0.00 H new ATOM 233 N LYS A 17 7.346 2.598 1.763 1.00 0.00 N ATOM 234 CA LYS A 17 6.743 2.453 0.444 1.00 0.00 C ATOM 235 C LYS A 17 5.957 1.144 0.426 1.00 0.00 C ATOM 236 O LYS A 17 6.432 0.115 0.905 1.00 0.00 O ATOM 237 CB LYS A 17 7.836 2.480 -0.637 1.00 0.00 C ATOM 238 CG LYS A 17 7.492 1.761 -1.941 1.00 0.00 C ATOM 239 CD LYS A 17 6.401 2.475 -2.731 1.00 0.00 C ATOM 240 CE LYS A 17 6.035 1.665 -3.973 1.00 0.00 C ATOM 241 NZ LYS A 17 7.179 1.559 -4.904 1.00 0.00 N ATOM 0 H LYS A 17 7.648 1.704 2.150 1.00 0.00 H new ATOM 0 HA LYS A 17 6.063 3.278 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.069 3.520 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.741 2.034 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.389 1.682 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.168 0.745 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.519 2.613 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.743 3.468 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.712 0.667 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.193 2.135 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.844 1.218 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.620 2.494 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.878 0.891 -4.521 1.00 0.00 H new ATOM 255 N VAL A 18 4.751 1.194 -0.129 1.00 0.00 N ATOM 256 CA VAL A 18 3.908 0.014 -0.304 1.00 0.00 C ATOM 257 C VAL A 18 3.462 -0.081 -1.747 1.00 0.00 C ATOM 258 O VAL A 18 3.119 0.947 -2.331 1.00 0.00 O ATOM 259 CB VAL A 18 2.675 0.139 0.577 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.568 -0.822 0.142 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.038 -0.096 2.036 1.00 0.00 C ATOM 0 H VAL A 18 4.328 2.056 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 18 4.476 -0.875 -0.031 1.00 0.00 H new ATOM 0 HB VAL A 18 2.293 1.154 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.704 -0.702 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.278 -0.602 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.931 -1.848 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.144 -0.003 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.455 -1.096 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.775 0.643 2.351 1.00 0.00 H new ATOM 271 N ASP A 19 3.482 -1.321 -2.261 1.00 0.00 N ATOM 272 CA ASP A 19 3.314 -1.714 -3.656 1.00 0.00 C ATOM 273 C ASP A 19 2.483 -3.006 -3.776 1.00 0.00 C ATOM 274 O ASP A 19 2.206 -3.664 -2.775 1.00 0.00 O ATOM 275 CB ASP A 19 4.726 -1.843 -4.253 1.00 0.00 C ATOM 276 CG ASP A 19 4.945 -3.057 -5.160 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.526 -2.991 -6.335 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.537 -4.042 -4.669 1.00 0.00 O ATOM 0 H ASP A 19 3.628 -2.132 -1.660 1.00 0.00 H new ATOM 0 HA ASP A 19 2.750 -0.968 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.945 -0.940 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.446 -1.887 -3.435 1.00 0.00 H new ATOM 283 N ASN A 20 2.096 -3.355 -5.011 1.00 0.00 N ATOM 284 CA ASN A 20 1.249 -4.487 -5.380 1.00 0.00 C ATOM 285 C ASN A 20 -0.234 -4.217 -5.100 1.00 0.00 C ATOM 286 O ASN A 20 -0.650 -4.159 -3.943 1.00 0.00 O ATOM 287 CB ASN A 20 1.728 -5.789 -4.726 1.00 0.00 C ATOM 288 CG ASN A 20 1.388 -6.990 -5.599 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.538 -6.943 -6.818 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.918 -8.083 -5.009 1.00 0.00 N ATOM 0 H ASN A 20 2.387 -2.817 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 20 1.343 -4.615 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.805 -5.745 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.263 -5.902 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.675 -8.900 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.800 -8.105 -3.996 1.00 0.00 H new ATOM 297 N LEU A 21 -1.024 -4.052 -6.169 1.00 0.00 N ATOM 298 CA LEU A 21 -2.459 -3.762 -6.091 1.00 0.00 C ATOM 299 C LEU A 21 -3.247 -4.619 -7.073 1.00 0.00 C ATOM 300 O LEU A 21 -2.672 -5.289 -7.929 1.00 0.00 O ATOM 301 CB LEU A 21 -2.729 -2.304 -6.468 1.00 0.00 C ATOM 302 CG LEU A 21 -1.851 -1.284 -5.756 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.211 0.082 -6.335 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.072 -1.297 -4.250 1.00 0.00 C ATOM 0 H LEU A 21 -0.677 -4.118 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.768 -3.971 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.593 -2.191 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.773 -2.076 -6.253 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.799 -1.522 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.606 0.851 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.018 0.085 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.267 0.286 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.426 -0.555 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.114 -1.061 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.835 -2.285 -3.856 1.00 0.00 H new ATOM 316 N THR A 22 -4.573 -4.585 -6.941 1.00 0.00 N ATOM 317 CA THR A 22 -5.471 -5.323 -7.823 1.00 0.00 C ATOM 318 C THR A 22 -6.287 -4.363 -8.691 1.00 0.00 C ATOM 319 O THR A 22 -7.224 -4.801 -9.348 1.00 0.00 O ATOM 320 CB THR A 22 -6.378 -6.236 -6.997 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.057 -7.144 -7.832 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.394 -5.445 -6.178 1.00 0.00 C ATOM 0 H THR A 22 -5.052 -4.045 -6.220 1.00 0.00 H new ATOM 0 HA THR A 22 -4.878 -5.945 -8.493 1.00 0.00 H new ATOM 0 HB THR A 22 -5.735 -6.781 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.331 -6.689 -8.656 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.017 -6.134 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.870 -4.778 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.022 -4.857 -6.847 1.00 0.00 H new ATOM 329 N TYR A 23 -5.926 -3.069 -8.685 1.00 0.00 N ATOM 330 CA TYR A 23 -6.546 -1.975 -9.433 1.00 0.00 C ATOM 331 C TYR A 23 -7.710 -1.337 -8.676 1.00 0.00 C ATOM 332 O TYR A 23 -8.245 -0.310 -9.091 1.00 0.00 O ATOM 333 CB TYR A 23 -6.934 -2.398 -10.855 1.00 0.00 C ATOM 334 CG TYR A 23 -8.403 -2.256 -11.198 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.370 -3.042 -10.550 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.796 -1.320 -12.170 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.726 -2.901 -10.884 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.148 -1.174 -12.503 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.123 -1.964 -11.859 1.00 0.00 C ATOM 340 OH TYR A 23 -12.443 -1.828 -12.177 1.00 0.00 O ATOM 0 H TYR A 23 -5.142 -2.744 -8.119 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.788 -1.198 -9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.354 -1.806 -11.563 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.644 -3.439 -10.998 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.070 -3.754 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.052 -0.711 -12.662 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.468 -3.513 -10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.445 -0.456 -13.253 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.544 -1.139 -12.866 1.00 0.00 H new ATOM 350 N ARG A 24 -8.098 -1.954 -7.561 1.00 0.00 N ATOM 351 CA ARG A 24 -9.215 -1.503 -6.741 1.00 0.00 C ATOM 352 C ARG A 24 -8.847 -1.444 -5.258 1.00 0.00 C ATOM 353 O ARG A 24 -9.692 -1.156 -4.415 1.00 0.00 O ATOM 354 CB ARG A 24 -10.383 -2.448 -7.041 1.00 0.00 C ATOM 355 CG ARG A 24 -11.686 -2.047 -6.348 1.00 0.00 C ATOM 356 CD ARG A 24 -12.834 -2.910 -6.871 1.00 0.00 C ATOM 357 NE ARG A 24 -14.092 -2.574 -6.197 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.275 -3.106 -6.507 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.378 -4.013 -7.474 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.365 -2.734 -5.845 1.00 0.00 N ATOM 0 H ARG A 24 -7.639 -2.790 -7.200 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.497 -0.479 -6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.548 -2.478 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.112 -3.457 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.588 -2.170 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.897 -0.994 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.943 -2.765 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.603 -3.964 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.060 -1.889 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.547 -4.308 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.288 -4.413 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.297 -2.041 -5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.270 -3.141 -6.082 1.00 0.00 H new ATOM 374 N THR A 25 -7.583 -1.716 -4.927 1.00 0.00 N ATOM 375 CA THR A 25 -7.117 -1.622 -3.547 1.00 0.00 C ATOM 376 C THR A 25 -7.275 -0.199 -3.020 1.00 0.00 C ATOM 377 O THR A 25 -7.640 -0.018 -1.861 1.00 0.00 O ATOM 378 CB THR A 25 -5.659 -2.074 -3.465 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.562 -3.446 -3.776 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.095 -1.837 -2.070 1.00 0.00 C ATOM 0 H THR A 25 -6.868 -2.002 -5.595 1.00 0.00 H new ATOM 0 HA THR A 25 -7.724 -2.277 -2.922 1.00 0.00 H new ATOM 0 HB THR A 25 -5.083 -1.490 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.625 -3.728 -3.723 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.057 -2.167 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.146 -0.774 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.678 -2.400 -1.341 1.00 0.00 H new ATOM 387 N SER A 26 -7.006 0.798 -3.875 1.00 0.00 N ATOM 388 CA SER A 26 -7.146 2.232 -3.613 1.00 0.00 C ATOM 389 C SER A 26 -6.355 2.780 -2.412 1.00 0.00 C ATOM 390 O SER A 26 -6.067 2.063 -1.460 1.00 0.00 O ATOM 391 CB SER A 26 -8.633 2.567 -3.492 1.00 0.00 C ATOM 392 OG SER A 26 -9.289 2.267 -4.710 1.00 0.00 O ATOM 0 H SER A 26 -6.667 0.612 -4.819 1.00 0.00 H new ATOM 0 HA SER A 26 -6.692 2.738 -4.465 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.079 1.997 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.760 3.622 -3.250 1.00 0.00 H new ATOM 0 HG SER A 26 -10.242 2.481 -4.630 1.00 0.00 H new ATOM 398 N PRO A 27 -5.998 4.078 -2.455 1.00 0.00 N ATOM 399 CA PRO A 27 -5.247 4.762 -1.407 1.00 0.00 C ATOM 400 C PRO A 27 -6.005 4.840 -0.084 1.00 0.00 C ATOM 401 O PRO A 27 -5.377 4.898 0.971 1.00 0.00 O ATOM 402 CB PRO A 27 -4.964 6.165 -1.953 1.00 0.00 C ATOM 403 CG PRO A 27 -5.994 6.372 -3.059 1.00 0.00 C ATOM 404 CD PRO A 27 -6.297 4.967 -3.564 1.00 0.00 C ATOM 0 HA PRO A 27 -4.335 4.212 -1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.065 6.920 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.948 6.240 -2.340 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.892 6.860 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.600 7.004 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.340 4.877 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.689 4.724 -4.435 1.00 0.00 H new ATOM 412 N ASP A 28 -7.340 4.845 -0.110 1.00 0.00 N ATOM 413 CA ASP A 28 -8.115 4.973 1.116 1.00 0.00 C ATOM 414 C ASP A 28 -8.043 3.713 1.967 1.00 0.00 C ATOM 415 O ASP A 28 -7.895 3.797 3.187 1.00 0.00 O ATOM 416 CB ASP A 28 -9.569 5.222 0.757 1.00 0.00 C ATOM 417 CG ASP A 28 -10.413 5.489 2.006 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.493 6.672 2.399 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.969 4.511 2.553 1.00 0.00 O ATOM 0 H ASP A 28 -7.898 4.763 -0.960 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.698 5.802 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.638 6.074 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.967 4.358 0.224 1.00 0.00 H new ATOM 424 N THR A 29 -8.146 2.543 1.328 1.00 0.00 N ATOM 425 CA THR A 29 -8.101 1.289 2.063 1.00 0.00 C ATOM 426 C THR A 29 -6.721 1.149 2.660 1.00 0.00 C ATOM 427 O THR A 29 -6.574 0.754 3.809 1.00 0.00 O ATOM 428 CB THR A 29 -8.377 0.113 1.131 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.533 0.375 0.367 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.590 -1.171 1.928 1.00 0.00 C ATOM 0 H THR A 29 -8.259 2.445 0.319 1.00 0.00 H new ATOM 0 HA THR A 29 -8.861 1.290 2.844 1.00 0.00 H new ATOM 0 HB THR A 29 -7.515 -0.015 0.476 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.310 0.338 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.785 -1.996 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.696 -1.389 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.441 -1.047 2.598 1.00 0.00 H new ATOM 437 N LEU A 30 -5.698 1.485 1.866 1.00 0.00 N ATOM 438 CA LEU A 30 -4.322 1.428 2.316 1.00 0.00 C ATOM 439 C LEU A 30 -4.114 2.390 3.480 1.00 0.00 C ATOM 440 O LEU A 30 -3.336 2.100 4.380 1.00 0.00 O ATOM 441 CB LEU A 30 -3.402 1.822 1.159 1.00 0.00 C ATOM 442 CG LEU A 30 -3.476 0.829 0.000 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.875 1.492 -1.238 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.705 -0.443 0.330 1.00 0.00 C ATOM 0 H LEU A 30 -5.810 1.800 0.902 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.091 0.416 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.674 2.815 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.375 1.883 1.518 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.516 0.556 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.918 0.799 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.441 2.392 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.837 1.759 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.771 -1.136 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.660 -0.197 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.132 -0.907 1.219 1.00 0.00 H new ATOM 456 N ARG A 31 -4.806 3.534 3.473 1.00 0.00 N ATOM 457 CA ARG A 31 -4.612 4.537 4.507 1.00 0.00 C ATOM 458 C ARG A 31 -4.915 3.939 5.872 1.00 0.00 C ATOM 459 O ARG A 31 -4.064 3.952 6.757 1.00 0.00 O ATOM 460 CB ARG A 31 -5.524 5.743 4.236 1.00 0.00 C ATOM 461 CG ARG A 31 -4.956 7.055 4.774 1.00 0.00 C ATOM 462 CD ARG A 31 -4.479 6.947 6.218 1.00 0.00 C ATOM 463 NE ARG A 31 -4.065 8.254 6.734 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.850 9.075 7.443 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.103 8.738 7.737 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.377 10.246 7.862 1.00 0.00 N ATOM 0 H ARG A 31 -5.498 3.781 2.766 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.574 4.871 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.684 5.836 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.499 5.563 4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.124 7.370 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.719 7.830 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.278 6.543 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.645 6.248 6.278 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.112 8.560 6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.478 7.843 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.689 9.374 8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.418 10.517 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.973 10.873 8.402 1.00 0.00 H new ATOM 480 N ARG A 32 -6.124 3.408 6.048 1.00 0.00 N ATOM 481 CA ARG A 32 -6.545 2.834 7.327 1.00 0.00 C ATOM 482 C ARG A 32 -6.009 1.415 7.541 1.00 0.00 C ATOM 483 O ARG A 32 -6.217 0.836 8.607 1.00 0.00 O ATOM 484 CB ARG A 32 -8.073 2.873 7.392 1.00 0.00 C ATOM 485 CG ARG A 32 -8.692 1.981 6.310 1.00 0.00 C ATOM 486 CD ARG A 32 -9.893 2.656 5.655 1.00 0.00 C ATOM 487 NE ARG A 32 -10.967 2.907 6.621 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.055 3.634 6.345 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.222 4.187 5.146 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.986 3.816 7.276 1.00 0.00 N ATOM 0 H ARG A 32 -6.834 3.363 5.317 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.122 3.429 8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.407 2.543 8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.420 3.899 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.943 1.752 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.000 1.033 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.580 3.598 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.269 2.027 4.848 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.880 2.505 7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.515 4.059 4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.057 4.739 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.870 3.401 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.816 4.370 7.066 1.00 0.00 H new ATOM 504 N VAL A 33 -5.319 0.857 6.543 1.00 0.00 N ATOM 505 CA VAL A 33 -4.663 -0.444 6.638 1.00 0.00 C ATOM 506 C VAL A 33 -3.200 -0.287 7.052 1.00 0.00 C ATOM 507 O VAL A 33 -2.563 -1.250 7.464 1.00 0.00 O ATOM 508 CB VAL A 33 -4.767 -1.146 5.284 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.732 -2.251 5.092 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.160 -1.773 5.176 1.00 0.00 C ATOM 0 H VAL A 33 -5.200 1.305 5.634 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.157 -1.044 7.402 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.585 -0.395 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.864 -2.706 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.730 -1.828 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.862 -3.009 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.257 -2.280 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.298 -2.493 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.917 -0.993 5.252 1.00 0.00 H new ATOM 520 N PHE A 34 -2.659 0.928 6.949 1.00 0.00 N ATOM 521 CA PHE A 34 -1.258 1.172 7.244 1.00 0.00 C ATOM 522 C PHE A 34 -1.100 2.211 8.339 1.00 0.00 C ATOM 523 O PHE A 34 -0.213 2.087 9.178 1.00 0.00 O ATOM 524 CB PHE A 34 -0.567 1.626 5.956 1.00 0.00 C ATOM 525 CG PHE A 34 -0.067 0.479 5.122 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.145 -0.132 5.462 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.801 0.027 4.016 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.614 -1.221 4.713 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.321 -1.047 3.255 1.00 0.00 C ATOM 530 CZ PHE A 34 0.880 -1.682 3.610 1.00 0.00 C ATOM 0 H PHE A 34 -3.178 1.758 6.662 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.796 0.254 7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.265 2.220 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.270 2.276 6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.719 0.235 6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.733 0.505 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.540 -1.705 4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.876 -1.387 2.393 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.238 -2.523 3.035 1.00 0.00 H new ATOM 540 N GLU A 35 -1.947 3.238 8.354 1.00 0.00 N ATOM 541 CA GLU A 35 -1.827 4.242 9.389 1.00 0.00 C ATOM 542 C GLU A 35 -2.194 3.646 10.741 1.00 0.00 C ATOM 543 O GLU A 35 -1.863 4.204 11.783 1.00 0.00 O ATOM 544 CB GLU A 35 -2.687 5.467 9.074 1.00 0.00 C ATOM 545 CG GLU A 35 -4.155 5.332 9.480 1.00 0.00 C ATOM 546 CD GLU A 35 -4.396 5.666 10.953 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.849 6.693 11.414 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.130 4.888 11.601 1.00 0.00 O ATOM 0 H GLU A 35 -2.699 3.389 7.681 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.790 4.575 9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.261 6.334 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.636 5.666 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.761 5.991 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.489 4.313 9.284 1.00 0.00 H new ATOM 555 N LYS A 36 -2.885 2.499 10.714 1.00 0.00 N ATOM 556 CA LYS A 36 -3.362 1.836 11.907 1.00 0.00 C ATOM 557 C LYS A 36 -2.208 1.443 12.818 1.00 0.00 C ATOM 558 O LYS A 36 -2.372 1.424 14.037 1.00 0.00 O ATOM 559 CB LYS A 36 -4.166 0.602 11.503 1.00 0.00 C ATOM 560 CG LYS A 36 -3.286 -0.446 10.818 1.00 0.00 C ATOM 561 CD LYS A 36 -4.112 -1.561 10.178 1.00 0.00 C ATOM 562 CE LYS A 36 -5.170 -2.098 11.131 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.831 -3.299 10.583 1.00 0.00 N ATOM 0 H LYS A 36 -3.124 2.011 9.851 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.998 2.524 12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.631 0.165 12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.972 0.896 10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.676 0.037 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.601 -0.877 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.593 -1.185 9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.452 -2.373 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.710 -2.340 12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.915 -1.326 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.546 -3.640 11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.291 -3.061 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.122 -4.044 10.425 1.00 0.00 H new ATOM 577 N TYR A 37 -1.050 1.135 12.233 1.00 0.00 N ATOM 578 CA TYR A 37 0.108 0.770 13.020 1.00 0.00 C ATOM 579 C TYR A 37 0.746 1.992 13.672 1.00 0.00 C ATOM 580 O TYR A 37 1.474 1.861 14.656 1.00 0.00 O ATOM 581 CB TYR A 37 1.122 0.058 12.130 1.00 0.00 C ATOM 582 CG TYR A 37 0.575 -1.227 11.564 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.692 -2.414 12.302 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.055 -1.232 10.313 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.167 -3.610 11.790 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.572 -2.423 9.795 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.469 -3.614 10.534 1.00 0.00 C ATOM 588 OH TYR A 37 -0.985 -4.768 10.028 1.00 0.00 O ATOM 0 H TYR A 37 -0.898 1.133 11.224 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.214 0.101 13.818 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.414 0.718 11.313 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.023 -0.154 12.706 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.185 -2.407 13.263 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.141 -0.315 9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.250 -4.525 12.358 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.051 -2.428 8.827 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.287 -5.252 9.540 1.00 0.00 H new ATOM 598 N GLY A 38 0.476 3.181 13.128 1.00 0.00 N ATOM 599 CA GLY A 38 0.936 4.421 13.740 1.00 0.00 C ATOM 600 C GLY A 38 0.401 5.636 12.996 1.00 0.00 C ATOM 601 O GLY A 38 -0.368 6.409 13.565 1.00 0.00 O ATOM 0 H GLY A 38 -0.057 3.307 12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.613 4.457 14.780 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.026 4.445 13.744 1.00 0.00 H new ATOM 605 N ARG A 39 0.798 5.801 11.729 1.00 0.00 N ATOM 606 CA ARG A 39 0.295 6.873 10.879 1.00 0.00 C ATOM 607 C ARG A 39 0.720 6.659 9.439 1.00 0.00 C ATOM 608 O ARG A 39 1.554 5.809 9.150 1.00 0.00 O ATOM 609 CB ARG A 39 0.846 8.218 11.379 1.00 0.00 C ATOM 610 CG ARG A 39 -0.077 9.400 11.088 1.00 0.00 C ATOM 611 CD ARG A 39 -1.418 9.216 11.793 1.00 0.00 C ATOM 612 NE ARG A 39 -2.216 10.443 11.743 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.550 10.487 11.783 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.275 9.374 11.848 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.171 11.662 11.756 1.00 0.00 N ATOM 0 H ARG A 39 1.476 5.193 11.270 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.794 6.875 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.015 8.155 12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.815 8.400 10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.392 10.326 11.421 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.234 9.491 10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.969 8.401 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.250 8.931 12.831 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.716 11.329 11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.813 8.465 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.293 9.430 11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.629 12.524 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.190 11.701 11.786 1.00 0.00 H new ATOM 629 N VAL A 40 0.134 7.453 8.544 1.00 0.00 N ATOM 630 CA VAL A 40 0.461 7.455 7.130 1.00 0.00 C ATOM 631 C VAL A 40 0.689 8.895 6.698 1.00 0.00 C ATOM 632 O VAL A 40 -0.261 9.642 6.452 1.00 0.00 O ATOM 633 CB VAL A 40 -0.674 6.790 6.349 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.616 7.074 4.857 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.589 5.272 6.465 1.00 0.00 C ATOM 0 H VAL A 40 -0.594 8.123 8.792 1.00 0.00 H new ATOM 0 HA VAL A 40 1.370 6.887 6.930 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.588 7.199 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.447 6.575 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.684 8.149 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.325 6.702 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.405 4.818 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.364 4.929 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.665 4.982 7.513 1.00 0.00 H new ATOM 645 N GLY A 41 1.963 9.272 6.607 1.00 0.00 N ATOM 646 CA GLY A 41 2.369 10.595 6.164 1.00 0.00 C ATOM 647 C GLY A 41 1.939 10.875 4.723 1.00 0.00 C ATOM 648 O GLY A 41 1.710 12.030 4.366 1.00 0.00 O ATOM 0 H GLY A 41 2.745 8.660 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.936 11.347 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.452 10.687 6.243 1.00 0.00 H new ATOM 652 N ASP A 42 1.823 9.827 3.900 1.00 0.00 N ATOM 653 CA ASP A 42 1.466 9.941 2.496 1.00 0.00 C ATOM 654 C ASP A 42 0.824 8.637 2.037 1.00 0.00 C ATOM 655 O ASP A 42 1.228 7.561 2.470 1.00 0.00 O ATOM 656 CB ASP A 42 2.740 10.163 1.676 1.00 0.00 C ATOM 657 CG ASP A 42 3.286 11.581 1.817 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.598 12.521 1.363 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.400 11.710 2.375 1.00 0.00 O ATOM 0 H ASP A 42 1.978 8.865 4.202 1.00 0.00 H new ATOM 0 HA ASP A 42 0.774 10.772 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.501 9.451 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.532 9.960 0.625 1.00 0.00 H new ATOM 664 N VAL A 43 -0.176 8.716 1.159 1.00 0.00 N ATOM 665 CA VAL A 43 -0.793 7.525 0.594 1.00 0.00 C ATOM 666 C VAL A 43 -1.323 7.882 -0.790 1.00 0.00 C ATOM 667 O VAL A 43 -2.237 8.695 -0.931 1.00 0.00 O ATOM 668 CB VAL A 43 -1.862 6.981 1.564 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.294 7.411 1.262 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.812 5.460 1.668 1.00 0.00 C ATOM 0 H VAL A 43 -0.573 9.594 0.826 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.077 6.713 0.467 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.594 7.437 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.968 6.976 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.364 8.498 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.575 7.066 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.581 5.117 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.988 5.022 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.832 5.152 2.032 1.00 0.00 H new ATOM 680 N TYR A 44 -0.753 7.275 -1.829 1.00 0.00 N ATOM 681 CA TYR A 44 -1.223 7.513 -3.185 1.00 0.00 C ATOM 682 C TYR A 44 -0.883 6.344 -4.098 1.00 0.00 C ATOM 683 O TYR A 44 -0.105 5.467 -3.727 1.00 0.00 O ATOM 684 CB TYR A 44 -0.635 8.821 -3.727 1.00 0.00 C ATOM 685 CG TYR A 44 0.732 8.685 -4.362 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.894 8.797 -3.588 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.826 8.451 -5.741 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.153 8.710 -4.198 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.076 8.348 -6.355 1.00 0.00 C ATOM 690 CZ TYR A 44 3.251 8.488 -5.585 1.00 0.00 C ATOM 691 OH TYR A 44 4.470 8.411 -6.188 1.00 0.00 O ATOM 0 H TYR A 44 0.027 6.622 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.309 7.605 -3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.323 9.235 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.571 9.541 -2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.820 8.950 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.073 8.350 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.049 8.813 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.144 8.162 -7.417 1.00 0.00 H new ATOM 0 HH TYR A 44 4.924 7.591 -5.903 1.00 0.00 H new ATOM 701 N ILE A 45 -1.474 6.337 -5.298 1.00 0.00 N ATOM 702 CA ILE A 45 -1.258 5.288 -6.280 1.00 0.00 C ATOM 703 C ILE A 45 -0.762 5.933 -7.577 1.00 0.00 C ATOM 704 O ILE A 45 -1.506 6.683 -8.209 1.00 0.00 O ATOM 705 CB ILE A 45 -2.554 4.497 -6.518 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.883 3.490 -5.412 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.417 3.672 -7.798 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.111 4.119 -4.044 1.00 0.00 C ATOM 0 H ILE A 45 -2.117 7.065 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.510 4.584 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.343 5.247 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.776 2.933 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.068 2.770 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.335 3.110 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.237 4.337 -8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.581 2.979 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.338 3.338 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.212 4.652 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.946 4.817 -4.099 1.00 0.00 H new ATOM 720 N PRO A 46 0.485 5.647 -7.982 1.00 0.00 N ATOM 721 CA PRO A 46 1.076 6.075 -9.246 1.00 0.00 C ATOM 722 C PRO A 46 0.466 5.298 -10.414 1.00 0.00 C ATOM 723 O PRO A 46 1.173 4.594 -11.134 1.00 0.00 O ATOM 724 CB PRO A 46 2.574 5.820 -9.095 1.00 0.00 C ATOM 725 CG PRO A 46 2.627 4.642 -8.129 1.00 0.00 C ATOM 726 CD PRO A 46 1.442 4.881 -7.205 1.00 0.00 C ATOM 0 HA PRO A 46 0.884 7.125 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.041 5.580 -10.050 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.093 6.692 -8.697 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.541 3.690 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.567 4.618 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.010 3.938 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.746 5.426 -6.311 1.00 0.00 H new ATOM 900 N GLY A 56 -0.250 -1.257 -11.190 1.00 0.00 N ATOM 901 CA GLY A 56 -0.295 -2.470 -10.384 1.00 0.00 C ATOM 902 C GLY A 56 0.382 -2.312 -9.022 1.00 0.00 C ATOM 903 O GLY A 56 0.662 -3.309 -8.363 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.335 -2.761 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.187 -3.280 -10.931 1.00 0.00 H new ATOM 907 N PHE A 57 0.653 -1.076 -8.589 1.00 0.00 N ATOM 908 CA PHE A 57 1.316 -0.816 -7.322 1.00 0.00 C ATOM 909 C PHE A 57 0.895 0.533 -6.759 1.00 0.00 C ATOM 910 O PHE A 57 0.469 1.417 -7.498 1.00 0.00 O ATOM 911 CB PHE A 57 2.833 -0.867 -7.513 1.00 0.00 C ATOM 912 CG PHE A 57 3.469 0.351 -8.148 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.291 0.636 -9.511 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.256 1.202 -7.359 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.900 1.766 -10.077 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.863 2.333 -7.926 1.00 0.00 C ATOM 917 CZ PHE A 57 4.677 2.623 -9.283 1.00 0.00 C ATOM 0 H PHE A 57 0.416 -0.233 -9.112 1.00 0.00 H new ATOM 0 HA PHE A 57 1.021 -1.585 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.296 -1.026 -6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.072 -1.737 -8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.685 -0.015 -10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.396 0.986 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.770 1.977 -11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.474 2.980 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.130 3.502 -9.717 1.00 0.00 H new ATOM 927 N ALA A 58 1.017 0.673 -5.438 1.00 0.00 N ATOM 928 CA ALA A 58 0.694 1.895 -4.727 1.00 0.00 C ATOM 929 C ALA A 58 1.986 2.559 -4.287 1.00 0.00 C ATOM 930 O ALA A 58 3.066 2.218 -4.767 1.00 0.00 O ATOM 931 CB ALA A 58 -0.195 1.575 -3.521 1.00 0.00 C ATOM 0 H ALA A 58 1.349 -0.075 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 58 0.146 2.576 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.434 2.497 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.116 1.103 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.332 0.897 -2.850 1.00 0.00 H new ATOM 937 N PHE A 59 1.861 3.510 -3.371 1.00 0.00 N ATOM 938 CA PHE A 59 2.984 4.229 -2.817 1.00 0.00 C ATOM 939 C PHE A 59 2.524 4.834 -1.518 1.00 0.00 C ATOM 940 O PHE A 59 2.424 6.055 -1.383 1.00 0.00 O ATOM 941 CB PHE A 59 3.448 5.266 -3.839 1.00 0.00 C ATOM 942 CG PHE A 59 4.930 5.571 -3.827 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.649 5.708 -2.628 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.586 5.718 -5.057 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.022 6.007 -2.668 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.956 6.003 -5.098 1.00 0.00 C ATOM 947 CZ PHE A 59 7.676 6.151 -3.901 1.00 0.00 C ATOM 0 H PHE A 59 0.961 3.803 -2.991 1.00 0.00 H new ATOM 0 HA PHE A 59 3.841 3.589 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.174 4.918 -4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.902 6.193 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.149 5.584 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.032 5.611 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.575 6.126 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.458 6.109 -6.048 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.732 6.375 -3.930 1.00 0.00 H new ATOM 957 N VAL A 60 2.239 3.964 -0.545 1.00 0.00 N ATOM 958 CA VAL A 60 2.041 4.554 0.767 1.00 0.00 C ATOM 959 C VAL A 60 3.419 4.971 1.241 1.00 0.00 C ATOM 960 O VAL A 60 4.377 4.243 0.991 1.00 0.00 O ATOM 961 CB VAL A 60 1.351 3.658 1.793 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.273 2.746 1.205 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.307 2.949 2.749 1.00 0.00 C ATOM 0 H VAL A 60 2.148 2.951 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 60 1.349 5.391 0.672 1.00 0.00 H new ATOM 0 HB VAL A 60 0.802 4.355 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.167 2.143 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.503 3.353 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.719 2.090 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.736 2.334 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.988 2.317 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.880 3.690 3.306 1.00 0.00 H new ATOM 973 N ARG A 61 3.532 6.118 1.918 1.00 0.00 N ATOM 974 CA ARG A 61 4.807 6.560 2.448 1.00 0.00 C ATOM 975 C ARG A 61 4.654 7.076 3.849 1.00 0.00 C ATOM 976 O ARG A 61 3.743 7.824 4.184 1.00 0.00 O ATOM 977 CB ARG A 61 5.498 7.553 1.504 1.00 0.00 C ATOM 978 CG ARG A 61 6.437 8.500 2.260 1.00 0.00 C ATOM 979 CD ARG A 61 7.188 9.401 1.281 1.00 0.00 C ATOM 980 NE ARG A 61 8.329 10.058 1.926 1.00 0.00 N ATOM 981 CZ ARG A 61 8.261 11.148 2.693 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.106 11.762 2.938 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.376 11.637 3.228 1.00 0.00 N ATOM 0 H ARG A 61 2.753 6.749 2.107 1.00 0.00 H new ATOM 0 HA ARG A 61 5.473 5.699 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.064 7.005 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.744 8.135 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.864 9.110 2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.148 7.922 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.538 8.810 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.509 10.155 0.884 1.00 0.00 H new ATOM 0 HE ARG A 61 9.251 9.648 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.241 11.401 2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.086 12.594 3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.270 11.180 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.337 12.470 3.816 1.00 0.00 H new ATOM 997 N PHE A 62 5.604 6.631 4.667 1.00 0.00 N ATOM 998 CA PHE A 62 5.596 6.986 6.076 1.00 0.00 C ATOM 999 C PHE A 62 6.672 8.019 6.331 1.00 0.00 C ATOM 1000 O PHE A 62 7.715 7.994 5.688 1.00 0.00 O ATOM 1001 CB PHE A 62 5.800 5.764 6.948 1.00 0.00 C ATOM 1002 CG PHE A 62 4.578 4.887 7.097 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.652 4.717 6.052 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.368 4.247 8.323 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.510 3.923 6.230 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.245 3.439 8.503 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.328 3.270 7.460 1.00 0.00 C ATOM 0 H PHE A 62 6.378 6.032 4.380 1.00 0.00 H new ATOM 0 HA PHE A 62 4.624 7.407 6.334 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.611 5.167 6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.121 6.089 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.822 5.203 5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.074 4.378 9.129 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.785 3.816 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.083 2.943 9.449 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.470 2.630 7.602 1.00 0.00 H new ATOM 1017 N HIS A 63 6.369 8.901 7.282 1.00 0.00 N ATOM 1018 CA HIS A 63 7.199 10.011 7.720 1.00 0.00 C ATOM 1019 C HIS A 63 8.093 9.603 8.894 1.00 0.00 C ATOM 1020 O HIS A 63 8.911 10.400 9.355 1.00 0.00 O ATOM 1021 CB HIS A 63 6.250 11.131 8.164 1.00 0.00 C ATOM 1022 CG HIS A 63 5.209 10.639 9.147 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.416 9.623 10.080 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.926 11.090 9.266 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.256 9.481 10.727 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.344 10.358 10.270 1.00 0.00 N ATOM 0 H HIS A 63 5.488 8.853 7.793 1.00 0.00 H new ATOM 0 HA HIS A 63 7.851 10.334 6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.827 11.935 8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.753 11.552 7.290 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.460 11.871 8.683 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.075 8.760 11.511 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.388 10.461 10.610 1.00 0.00 H new ATOM 1034 N ASP A 64 7.940 8.370 9.380 1.00 0.00 N ATOM 1035 CA ASP A 64 8.659 7.878 10.542 1.00 0.00 C ATOM 1036 C ASP A 64 8.954 6.392 10.362 1.00 0.00 C ATOM 1037 O ASP A 64 8.047 5.570 10.271 1.00 0.00 O ATOM 1038 CB ASP A 64 7.827 8.134 11.801 1.00 0.00 C ATOM 1039 CG ASP A 64 8.621 7.870 13.080 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.468 6.949 13.062 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.378 8.594 14.071 1.00 0.00 O ATOM 0 H ASP A 64 7.306 7.684 8.970 1.00 0.00 H new ATOM 0 HA ASP A 64 9.608 8.403 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.476 9.166 11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.943 7.497 11.786 1.00 0.00 H new ATOM 1046 N LYS A 65 10.246 6.057 10.313 1.00 0.00 N ATOM 1047 CA LYS A 65 10.737 4.699 10.125 1.00 0.00 C ATOM 1048 C LYS A 65 10.218 3.729 11.181 1.00 0.00 C ATOM 1049 O LYS A 65 10.149 2.532 10.921 1.00 0.00 O ATOM 1050 CB LYS A 65 12.265 4.732 10.127 1.00 0.00 C ATOM 1051 CG LYS A 65 12.792 5.137 11.508 1.00 0.00 C ATOM 1052 CD LYS A 65 14.220 5.675 11.420 1.00 0.00 C ATOM 1053 CE LYS A 65 15.136 4.695 10.689 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.513 5.218 10.629 1.00 0.00 N ATOM 0 H LYS A 65 10.994 6.744 10.406 1.00 0.00 H new ATOM 0 HA LYS A 65 10.363 4.330 9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.656 3.751 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.620 5.436 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.141 5.897 11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.766 4.277 12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.219 6.633 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.605 5.857 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.129 3.732 11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.762 4.523 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.121 4.539 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.518 6.126 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.873 5.359 11.594 1.00 0.00 H new ATOM 1068 N ARG A 66 9.848 4.217 12.369 1.00 0.00 N ATOM 1069 CA ARG A 66 9.380 3.346 13.442 1.00 0.00 C ATOM 1070 C ARG A 66 7.960 2.866 13.162 1.00 0.00 C ATOM 1071 O ARG A 66 7.666 1.680 13.289 1.00 0.00 O ATOM 1072 CB ARG A 66 9.421 4.109 14.770 1.00 0.00 C ATOM 1073 CG ARG A 66 10.838 4.558 15.140 1.00 0.00 C ATOM 1074 CD ARG A 66 11.815 3.386 15.266 1.00 0.00 C ATOM 1075 NE ARG A 66 11.376 2.432 16.296 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.645 2.550 17.601 1.00 0.00 C ATOM 1077 NH1 ARG A 66 12.359 3.573 18.067 1.00 0.00 N ATOM 1078 NH2 ARG A 66 11.196 1.632 18.451 1.00 0.00 N ATOM 0 H ARG A 66 9.865 5.208 12.608 1.00 0.00 H new ATOM 0 HA ARG A 66 10.032 2.475 13.500 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.771 4.982 14.705 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.025 3.475 15.563 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.204 5.251 14.383 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.807 5.103 16.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.899 2.875 14.307 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.807 3.762 15.515 1.00 0.00 H new ATOM 0 HE ARG A 66 10.829 1.625 15.995 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.711 4.284 17.425 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.554 3.646 19.066 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.649 0.843 18.107 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.398 1.717 19.447 1.00 0.00 H new ATOM 1092 N ASP A 67 7.074 3.785 12.775 1.00 0.00 N ATOM 1093 CA ASP A 67 5.711 3.421 12.419 1.00 0.00 C ATOM 1094 C ASP A 67 5.728 2.586 11.143 1.00 0.00 C ATOM 1095 O ASP A 67 4.830 1.776 10.913 1.00 0.00 O ATOM 1096 CB ASP A 67 4.872 4.681 12.205 1.00 0.00 C ATOM 1097 CG ASP A 67 4.735 5.502 13.488 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.523 4.888 14.557 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.850 6.744 13.389 1.00 0.00 O ATOM 0 H ASP A 67 7.279 4.781 12.702 1.00 0.00 H new ATOM 0 HA ASP A 67 5.270 2.839 13.228 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.330 5.294 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.882 4.401 11.846 1.00 0.00 H new ATOM 1104 N ALA A 68 6.757 2.785 10.315 1.00 0.00 N ATOM 1105 CA ALA A 68 6.897 2.069 9.061 1.00 0.00 C ATOM 1106 C ALA A 68 7.417 0.656 9.298 1.00 0.00 C ATOM 1107 O ALA A 68 7.066 -0.261 8.563 1.00 0.00 O ATOM 1108 CB ALA A 68 7.895 2.843 8.213 1.00 0.00 C ATOM 0 H ALA A 68 7.510 3.447 10.502 1.00 0.00 H new ATOM 0 HA ALA A 68 5.930 1.988 8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.030 2.337 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.520 3.852 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.851 2.896 8.734 1.00 0.00 H new ATOM 1114 N GLU A 69 8.253 0.481 10.320 1.00 0.00 N ATOM 1115 CA GLU A 69 8.806 -0.817 10.669 1.00 0.00 C ATOM 1116 C GLU A 69 7.706 -1.797 11.049 1.00 0.00 C ATOM 1117 O GLU A 69 7.690 -2.924 10.558 1.00 0.00 O ATOM 1118 CB GLU A 69 9.730 -0.644 11.867 1.00 0.00 C ATOM 1119 CG GLU A 69 11.155 -0.335 11.421 1.00 0.00 C ATOM 1120 CD GLU A 69 11.899 -1.613 11.037 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.475 -2.239 11.952 1.00 0.00 O ATOM 1122 OE2 GLU A 69 11.887 -1.949 9.833 1.00 0.00 O ATOM 0 H GLU A 69 8.564 1.239 10.927 1.00 0.00 H new ATOM 0 HA GLU A 69 9.344 -1.210 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.361 0.162 12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.723 -1.552 12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.134 0.347 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.689 0.173 12.224 1.00 0.00 H new ATOM 1129 N ASP A 70 6.786 -1.379 11.922 1.00 0.00 N ATOM 1130 CA ASP A 70 5.754 -2.294 12.378 1.00 0.00 C ATOM 1131 C ASP A 70 4.762 -2.595 11.261 1.00 0.00 C ATOM 1132 O ASP A 70 4.383 -3.749 11.057 1.00 0.00 O ATOM 1133 CB ASP A 70 5.042 -1.697 13.592 1.00 0.00 C ATOM 1134 CG ASP A 70 6.010 -1.379 14.728 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.824 -2.266 15.062 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.927 -0.250 15.258 1.00 0.00 O ATOM 0 H ASP A 70 6.739 -0.439 12.314 1.00 0.00 H new ATOM 0 HA ASP A 70 6.219 -3.236 12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.522 -0.787 13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.285 -2.396 13.947 1.00 0.00 H new ATOM 1141 N ALA A 71 4.340 -1.562 10.525 1.00 0.00 N ATOM 1142 CA ALA A 71 3.391 -1.740 9.440 1.00 0.00 C ATOM 1143 C ALA A 71 3.937 -2.744 8.434 1.00 0.00 C ATOM 1144 O ALA A 71 3.241 -3.673 8.039 1.00 0.00 O ATOM 1145 CB ALA A 71 3.129 -0.386 8.766 1.00 0.00 C ATOM 0 H ALA A 71 4.644 -0.599 10.666 1.00 0.00 H new ATOM 0 HA ALA A 71 2.451 -2.126 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.417 -0.517 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.720 0.311 9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.064 0.011 8.370 1.00 0.00 H new ATOM 1151 N MET A 72 5.193 -2.554 8.029 1.00 0.00 N ATOM 1152 CA MET A 72 5.853 -3.397 7.050 1.00 0.00 C ATOM 1153 C MET A 72 6.054 -4.814 7.576 1.00 0.00 C ATOM 1154 O MET A 72 5.917 -5.777 6.820 1.00 0.00 O ATOM 1155 CB MET A 72 7.200 -2.741 6.760 1.00 0.00 C ATOM 1156 CG MET A 72 8.149 -3.645 5.990 1.00 0.00 C ATOM 1157 SD MET A 72 9.585 -2.774 5.314 1.00 0.00 S ATOM 1158 CE MET A 72 10.057 -1.770 6.754 1.00 0.00 C ATOM 0 H MET A 72 5.782 -1.799 8.380 1.00 0.00 H new ATOM 0 HA MET A 72 5.246 -3.486 6.149 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.037 -1.826 6.191 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.667 -2.452 7.701 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.494 -4.442 6.649 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.604 -4.120 5.174 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.105 -1.481 6.668 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.436 -0.875 6.793 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.914 -2.351 7.665 1.00 0.00 H new ATOM 1168 N ASP A 73 6.376 -4.954 8.863 1.00 0.00 N ATOM 1169 CA ASP A 73 6.563 -6.261 9.477 1.00 0.00 C ATOM 1170 C ASP A 73 5.211 -6.949 9.699 1.00 0.00 C ATOM 1171 O ASP A 73 5.165 -8.094 10.146 1.00 0.00 O ATOM 1172 CB ASP A 73 7.323 -6.088 10.797 1.00 0.00 C ATOM 1173 CG ASP A 73 7.680 -7.426 11.433 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.390 -8.211 10.769 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.242 -7.657 12.586 1.00 0.00 O ATOM 0 H ASP A 73 6.513 -4.170 9.501 1.00 0.00 H new ATOM 0 HA ASP A 73 7.147 -6.899 8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.234 -5.518 10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.715 -5.508 11.491 1.00 0.00 H new ATOM 1180 N ALA A 74 4.108 -6.255 9.388 1.00 0.00 N ATOM 1181 CA ALA A 74 2.766 -6.766 9.586 1.00 0.00 C ATOM 1182 C ALA A 74 1.907 -6.639 8.326 1.00 0.00 C ATOM 1183 O ALA A 74 0.718 -6.950 8.376 1.00 0.00 O ATOM 1184 CB ALA A 74 2.153 -5.995 10.753 1.00 0.00 C ATOM 0 H ALA A 74 4.134 -5.317 8.989 1.00 0.00 H new ATOM 0 HA ALA A 74 2.808 -7.832 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.139 -6.353 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.756 -6.149 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.125 -4.932 10.512 1.00 0.00 H new ATOM 1190 N MET A 75 2.484 -6.190 7.203 1.00 0.00 N ATOM 1191 CA MET A 75 1.726 -5.985 5.974 1.00 0.00 C ATOM 1192 C MET A 75 2.428 -6.531 4.734 1.00 0.00 C ATOM 1193 O MET A 75 1.775 -6.696 3.705 1.00 0.00 O ATOM 1194 CB MET A 75 1.471 -4.494 5.766 1.00 0.00 C ATOM 1195 CG MET A 75 0.343 -3.991 6.669 1.00 0.00 C ATOM 1196 SD MET A 75 -1.261 -4.759 6.312 1.00 0.00 S ATOM 1197 CE MET A 75 -1.288 -4.525 4.517 1.00 0.00 C ATOM 0 H MET A 75 3.476 -5.963 7.126 1.00 0.00 H new ATOM 0 HA MET A 75 0.792 -6.534 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.383 -3.935 5.974 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.214 -4.309 4.723 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.607 -4.184 7.709 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.253 -2.910 6.558 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.282 -4.757 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.041 -3.490 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.557 -5.187 4.053 1.00 0.00 H new ATOM 1207 N ASP A 76 3.729 -6.823 4.792 1.00 0.00 N ATOM 1208 CA ASP A 76 4.404 -7.384 3.633 1.00 0.00 C ATOM 1209 C ASP A 76 3.883 -8.794 3.361 1.00 0.00 C ATOM 1210 O ASP A 76 3.971 -9.668 4.222 1.00 0.00 O ATOM 1211 CB ASP A 76 5.911 -7.399 3.874 1.00 0.00 C ATOM 1212 CG ASP A 76 6.635 -7.942 2.646 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.600 -7.247 1.606 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.212 -9.048 2.763 1.00 0.00 O ATOM 0 H ASP A 76 4.320 -6.683 5.611 1.00 0.00 H new ATOM 0 HA ASP A 76 4.199 -6.768 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.261 -6.391 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.142 -8.015 4.743 1.00 0.00 H new ATOM 1219 N GLY A 77 3.336 -9.022 2.164 1.00 0.00 N ATOM 1220 CA GLY A 77 2.817 -10.326 1.780 1.00 0.00 C ATOM 1221 C GLY A 77 1.572 -10.686 2.589 1.00 0.00 C ATOM 1222 O GLY A 77 1.255 -11.861 2.765 1.00 0.00 O ATOM 0 H GLY A 77 3.243 -8.308 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.575 -10.325 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.585 -11.085 1.932 1.00 0.00 H new ATOM 1226 N ALA A 78 0.862 -9.669 3.084 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.304 -9.847 3.939 1.00 0.00 C ATOM 1228 C ALA A 78 -1.584 -10.079 3.125 1.00 0.00 C ATOM 1229 O ALA A 78 -2.667 -10.169 3.703 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.442 -8.626 4.850 1.00 0.00 C ATOM 0 H ALA A 78 1.086 -8.691 2.898 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.160 -10.741 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.312 -8.749 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.453 -8.527 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.565 -7.730 4.241 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.446 -10.179 1.796 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.537 -10.423 0.855 1.00 0.00 C ATOM 1238 C VAL A 79 -3.865 -9.812 1.315 1.00 0.00 C ATOM 1239 O VAL A 79 -4.795 -10.505 1.725 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.605 -11.917 0.496 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.623 -12.825 1.720 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.748 -12.210 -0.454 1.00 0.00 C ATOM 0 H VAL A 79 -0.540 -10.089 1.336 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.323 -9.893 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.679 -12.151 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.672 -13.866 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.716 -12.667 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.494 -12.593 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.765 -13.275 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.691 -11.925 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.612 -11.641 -1.374 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.927 -8.479 1.241 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.101 -7.693 1.587 1.00 0.00 C ATOM 1254 C LEU A 80 -6.269 -7.934 0.623 1.00 0.00 C ATOM 1255 O LEU A 80 -7.398 -7.560 0.942 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.643 -6.230 1.655 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.726 -5.163 1.457 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.219 -3.855 2.050 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.974 -4.920 -0.031 1.00 0.00 C ATOM 0 H LEU A 80 -3.140 -7.909 0.931 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.505 -7.994 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.174 -6.064 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.873 -6.078 0.899 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.646 -5.501 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.974 -3.080 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.017 -3.991 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.302 -3.556 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.746 -4.160 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.052 -4.580 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.301 -5.847 -0.501 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.028 -8.548 -0.540 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.093 -8.830 -1.495 1.00 0.00 C ATOM 1273 C ASP A 81 -6.994 -10.248 -2.061 1.00 0.00 C ATOM 1274 O ASP A 81 -7.989 -10.968 -2.086 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.044 -7.798 -2.627 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.128 -8.079 -3.663 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.284 -7.673 -3.412 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.789 -8.697 -4.699 1.00 0.00 O ATOM 0 H ASP A 81 -5.103 -8.857 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.047 -8.761 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.176 -6.796 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.064 -7.821 -3.104 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.806 -10.659 -2.514 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.608 -12.029 -2.982 1.00 0.00 C ATOM 1285 C GLY A 82 -4.475 -12.148 -3.995 1.00 0.00 C ATOM 1286 O GLY A 82 -4.511 -13.013 -4.867 1.00 0.00 O ATOM 0 H GLY A 82 -4.976 -10.068 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.396 -12.673 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.532 -12.392 -3.433 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.474 -11.274 -3.874 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.337 -11.239 -4.785 1.00 0.00 C ATOM 1292 C ARG A 83 -1.009 -11.085 -4.046 1.00 0.00 C ATOM 1293 O ARG A 83 0.036 -11.404 -4.609 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.538 -10.082 -5.758 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.791 -8.805 -4.951 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.625 -7.535 -5.775 1.00 0.00 C ATOM 1297 NE ARG A 83 -1.462 -7.588 -6.670 1.00 0.00 N ATOM 1298 CZ ARG A 83 -1.502 -7.944 -7.959 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -2.642 -8.309 -8.540 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -0.381 -7.934 -8.675 1.00 0.00 N ATOM 0 H ARG A 83 -3.433 -10.570 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.289 -12.188 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.658 -9.962 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.381 -10.285 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.800 -8.836 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.104 -8.775 -4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.526 -7.370 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.523 -6.682 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.555 -7.334 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.508 -8.321 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.650 -8.577 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.499 -7.657 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.402 -8.204 -9.658 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.073 -10.597 -2.796 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.008 -10.579 -1.800 1.00 0.00 C ATOM 1316 C GLU A 84 0.681 -9.218 -1.772 1.00 0.00 C ATOM 1317 O GLU A 84 1.575 -8.949 -2.569 1.00 0.00 O ATOM 1318 CB GLU A 84 0.982 -11.740 -1.975 1.00 0.00 C ATOM 1319 CG GLU A 84 1.117 -12.482 -0.649 1.00 0.00 C ATOM 1320 CD GLU A 84 2.307 -13.434 -0.668 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.455 -12.933 -0.625 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.068 -14.659 -0.723 1.00 0.00 O ATOM 0 H GLU A 84 -1.932 -10.178 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.467 -10.734 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.632 -12.419 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.953 -11.362 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.236 -11.764 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.204 -13.042 -0.448 1.00 0.00 H new ATOM 1329 N LEU A 85 0.249 -8.356 -0.846 1.00 0.00 N ATOM 1330 CA LEU A 85 0.767 -7.006 -0.670 1.00 0.00 C ATOM 1331 C LEU A 85 2.293 -6.997 -0.558 1.00 0.00 C ATOM 1332 O LEU A 85 2.915 -8.034 -0.331 1.00 0.00 O ATOM 1333 CB LEU A 85 0.124 -6.423 0.599 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.639 -5.115 0.389 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.307 -3.982 0.021 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.705 -5.256 -0.695 1.00 0.00 C ATOM 0 H LEU A 85 -0.490 -8.589 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 85 0.517 -6.400 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.559 -7.163 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.905 -6.257 1.341 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.129 -4.879 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.263 -3.064 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.031 -3.838 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.832 -4.231 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.227 -4.307 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.232 -5.534 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.418 -6.028 -0.406 1.00 0.00 H new ATOM 1348 N ARG A 86 2.905 -5.818 -0.720 1.00 0.00 N ATOM 1349 CA ARG A 86 4.349 -5.652 -0.632 1.00 0.00 C ATOM 1350 C ARG A 86 4.668 -4.378 0.125 1.00 0.00 C ATOM 1351 O ARG A 86 4.032 -3.347 -0.098 1.00 0.00 O ATOM 1352 CB ARG A 86 4.946 -5.555 -2.037 1.00 0.00 C ATOM 1353 CG ARG A 86 4.763 -6.834 -2.849 1.00 0.00 C ATOM 1354 CD ARG A 86 5.532 -7.982 -2.197 1.00 0.00 C ATOM 1355 NE ARG A 86 5.431 -9.212 -2.990 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.908 -10.357 -2.540 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.397 -10.441 -1.314 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.894 -11.430 -3.321 1.00 0.00 N ATOM 0 H ARG A 86 2.404 -4.952 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 86 4.774 -6.510 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.481 -4.724 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.009 -5.329 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.704 -7.085 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.117 -6.681 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.580 -7.704 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.142 -8.160 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 86 5.783 -9.192 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.401 -9.624 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.002 -11.322 -0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.282 -11.380 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.495 -12.304 -2.979 1.00 0.00 H new ATOM 1372 N VAL A 87 5.658 -4.442 1.021 1.00 0.00 N ATOM 1373 CA VAL A 87 6.045 -3.288 1.813 1.00 0.00 C ATOM 1374 C VAL A 87 7.556 -3.259 2.009 1.00 0.00 C ATOM 1375 O VAL A 87 8.175 -4.281 2.296 1.00 0.00 O ATOM 1376 CB VAL A 87 5.333 -3.325 3.168 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.501 -1.959 3.826 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.854 -3.689 3.038 1.00 0.00 C ATOM 0 H VAL A 87 6.201 -5.284 1.210 1.00 0.00 H new ATOM 0 HA VAL A 87 5.751 -2.382 1.283 1.00 0.00 H new ATOM 0 HB VAL A 87 5.782 -4.104 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.002 -1.958 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.562 -1.750 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.059 -1.192 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.394 -3.702 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.351 -2.951 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.761 -4.674 2.582 1.00 0.00 H new ATOM 1388 N GLN A 88 8.135 -2.071 1.844 1.00 0.00 N ATOM 1389 CA GLN A 88 9.567 -1.844 1.963 1.00 0.00 C ATOM 1390 C GLN A 88 9.846 -0.351 2.072 1.00 0.00 C ATOM 1391 O GLN A 88 9.085 0.463 1.564 1.00 0.00 O ATOM 1392 CB GLN A 88 10.261 -2.421 0.724 1.00 0.00 C ATOM 1393 CG GLN A 88 9.578 -1.978 -0.578 1.00 0.00 C ATOM 1394 CD GLN A 88 10.359 -2.420 -1.809 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.577 -2.574 -1.770 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.666 -2.635 -2.924 1.00 0.00 N ATOM 0 H GLN A 88 7.609 -1.226 1.620 1.00 0.00 H new ATOM 0 HA GLN A 88 9.948 -2.334 2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.304 -2.104 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.259 -3.509 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.571 -2.393 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.476 -0.893 -0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.655 -2.500 -2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.146 -2.935 -3.773 1.00 0.00 H new ATOM 1405 N MET A 89 10.941 0.011 2.738 1.00 0.00 N ATOM 1406 CA MET A 89 11.380 1.390 2.859 1.00 0.00 C ATOM 1407 C MET A 89 11.490 2.029 1.475 1.00 0.00 C ATOM 1408 O MET A 89 12.029 1.424 0.545 1.00 0.00 O ATOM 1409 CB MET A 89 12.726 1.416 3.587 1.00 0.00 C ATOM 1410 CG MET A 89 12.498 1.046 5.055 1.00 0.00 C ATOM 1411 SD MET A 89 11.861 2.418 6.051 1.00 0.00 S ATOM 1412 CE MET A 89 11.118 1.471 7.404 1.00 0.00 C ATOM 0 H MET A 89 11.551 -0.655 3.212 1.00 0.00 H new ATOM 0 HA MET A 89 10.654 1.966 3.433 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.420 0.714 3.124 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.177 2.406 3.512 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.797 0.213 5.108 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.438 0.700 5.485 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.234 2.020 8.339 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.058 1.318 7.202 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.614 0.504 7.487 1.00 0.00 H new ATOM 1422 N ALA A 90 10.979 3.255 1.333 1.00 0.00 N ATOM 1423 CA ALA A 90 11.001 3.990 0.075 1.00 0.00 C ATOM 1424 C ALA A 90 12.409 4.459 -0.280 1.00 0.00 C ATOM 1425 O ALA A 90 12.658 4.829 -1.425 1.00 0.00 O ATOM 1426 CB ALA A 90 10.062 5.190 0.179 1.00 0.00 C ATOM 0 H ALA A 90 10.536 3.765 2.097 1.00 0.00 H new ATOM 0 HA ALA A 90 10.668 3.321 -0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.074 5.744 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.049 4.843 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.392 5.841 0.989 1.00 0.00 H new