USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 1.39 (180deg=-0.767) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 91:sc= -1.03 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.6) USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=-0.078) USER MOD Single : A 32 SER OG : rot 180:sc= -0.168 USER MOD Single : A 34 CYS SG : rot -110:sc= -2.91 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8.95! C(o=-9!,f=-10!) USER MOD Single : A 44 HIS : no HD1:sc= 0.643 K(o=0.64,f=-2.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= -0.282 (180deg=-1.12) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0.0209 (180deg=0.0189) USER MOD Single : A 77 SER OG : rot 27:sc= 0.485 USER MOD Single : A 78 MET CE :methyl -174:sc= -0.122 (180deg=-0.301) USER MOD Single : A 80 HIS : no HD1:sc= -2.12! X(o=-2.1!,f=-1.9) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 160:sc= -0.0473 USER MOD Single : A 89 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-5.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -116:sc= -0.0858 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.115 2.940 -2.061 1.00 0.00 N ATOM 192 CA TYR A 11 13.508 1.662 -2.415 1.00 0.00 C ATOM 193 C TYR A 11 12.078 1.575 -1.889 1.00 0.00 C ATOM 194 O TYR A 11 11.843 1.626 -0.682 1.00 0.00 O ATOM 195 CB TYR A 11 14.339 0.506 -1.857 1.00 0.00 C ATOM 196 CG TYR A 11 15.799 0.568 -2.246 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.180 0.638 -3.580 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.798 0.554 -1.280 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.513 0.693 -3.941 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.132 0.611 -1.631 1.00 0.00 C ATOM 201 CZ TYR A 11 18.485 0.680 -2.963 1.00 0.00 C ATOM 202 OH TYR A 11 19.813 0.735 -3.317 1.00 0.00 O ATOM 0 HA TYR A 11 13.482 1.590 -3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.261 0.505 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.918 -0.436 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.421 0.650 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.526 0.498 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.792 0.746 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.895 0.602 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 11 20.368 0.718 -2.509 1.00 0.00 H new ATOM 212 N VAL A 12 11.125 1.442 -2.806 1.00 0.00 N ATOM 213 CA VAL A 12 9.717 1.345 -2.437 1.00 0.00 C ATOM 214 C VAL A 12 8.934 0.537 -3.466 1.00 0.00 C ATOM 215 O VAL A 12 9.356 0.397 -4.613 1.00 0.00 O ATOM 216 CB VAL A 12 9.077 2.739 -2.298 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.605 2.616 -1.931 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.825 3.568 -1.266 1.00 0.00 C ATOM 0 H VAL A 12 11.302 1.399 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 12 9.675 0.837 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 12 9.146 3.249 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.169 3.611 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.081 2.062 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.509 2.087 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.359 4.550 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.790 3.065 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.863 3.685 -1.576 1.00 0.00 H new ATOM 228 N VAL A 13 7.788 0.009 -3.047 1.00 0.00 N ATOM 229 CA VAL A 13 6.944 -0.784 -3.932 1.00 0.00 C ATOM 230 C VAL A 13 5.466 -0.550 -3.637 1.00 0.00 C ATOM 231 O VAL A 13 5.062 -0.443 -2.479 1.00 0.00 O ATOM 232 CB VAL A 13 7.250 -2.288 -3.802 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.624 -2.604 -4.372 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.152 -2.728 -2.349 1.00 0.00 C ATOM 0 H VAL A 13 7.423 0.116 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 13 7.164 -0.463 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 13 6.508 -2.843 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.823 -3.671 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.653 -2.327 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.382 -2.041 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.371 -3.793 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.870 -2.168 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.144 -2.539 -1.979 1.00 0.00 H new ATOM 244 N LYS A 14 4.663 -0.472 -4.693 1.00 0.00 N ATOM 245 CA LYS A 14 3.229 -0.253 -4.548 1.00 0.00 C ATOM 246 C LYS A 14 2.451 -1.536 -4.823 1.00 0.00 C ATOM 247 O LYS A 14 2.638 -2.177 -5.858 1.00 0.00 O ATOM 248 CB LYS A 14 2.763 0.852 -5.500 1.00 0.00 C ATOM 249 CG LYS A 14 1.252 0.945 -5.631 1.00 0.00 C ATOM 250 CD LYS A 14 0.846 1.660 -6.908 1.00 0.00 C ATOM 251 CE LYS A 14 0.912 3.171 -6.746 1.00 0.00 C ATOM 252 NZ LYS A 14 2.241 3.714 -7.141 1.00 0.00 N ATOM 0 H LYS A 14 4.981 -0.557 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 14 3.036 0.054 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.148 1.809 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.195 0.677 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.823 -0.057 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.843 1.475 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.501 1.351 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.167 1.367 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.135 3.636 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.706 3.434 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.682 4.181 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.851 2.937 -7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.120 4.404 -7.910 1.00 0.00 H new ATOM 266 N LEU A 15 1.579 -1.905 -3.892 1.00 0.00 N ATOM 267 CA LEU A 15 0.772 -3.112 -4.035 1.00 0.00 C ATOM 268 C LEU A 15 -0.648 -2.768 -4.475 1.00 0.00 C ATOM 269 O LEU A 15 -1.236 -1.795 -4.003 1.00 0.00 O ATOM 270 CB LEU A 15 0.736 -3.884 -2.716 1.00 0.00 C ATOM 271 CG LEU A 15 2.064 -4.486 -2.253 1.00 0.00 C ATOM 272 CD1 LEU A 15 1.915 -5.115 -0.877 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.563 -5.512 -3.260 1.00 0.00 C ATOM 0 H LEU A 15 1.412 -1.386 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 15 1.229 -3.737 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.372 -3.215 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.008 -4.690 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 15 2.800 -3.685 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.870 -5.538 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.604 -4.354 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.165 -5.904 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.509 -5.930 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.828 -6.311 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.710 -5.031 -4.227 1.00 0.00 H new ATOM 285 N ARG A 16 -1.193 -3.575 -5.380 1.00 0.00 N ATOM 286 CA ARG A 16 -2.544 -3.357 -5.882 1.00 0.00 C ATOM 287 C ARG A 16 -3.366 -4.640 -5.806 1.00 0.00 C ATOM 288 O ARG A 16 -2.834 -5.740 -5.950 1.00 0.00 O ATOM 289 CB ARG A 16 -2.499 -2.853 -7.326 1.00 0.00 C ATOM 290 CG ARG A 16 -3.872 -2.589 -7.922 1.00 0.00 C ATOM 291 CD ARG A 16 -4.287 -1.137 -7.744 1.00 0.00 C ATOM 292 NE ARG A 16 -5.733 -0.995 -7.598 1.00 0.00 N ATOM 293 CZ ARG A 16 -6.375 -1.154 -6.446 1.00 0.00 C ATOM 294 NH1 ARG A 16 -5.702 -1.458 -5.345 1.00 0.00 N ATOM 295 NH2 ARG A 16 -7.693 -1.009 -6.393 1.00 0.00 N ATOM 0 H ARG A 16 -0.720 -4.385 -5.780 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.020 -2.603 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.913 -1.934 -7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.980 -3.587 -7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.863 -2.839 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.607 -3.239 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.792 -0.724 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.951 -0.556 -8.603 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.280 -0.761 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.689 -1.570 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.197 -1.580 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.215 -0.775 -7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.184 -1.131 -5.508 1.00 0.00 H new ATOM 309 N GLY A 17 -4.668 -4.490 -5.577 1.00 0.00 N ATOM 310 CA GLY A 17 -5.542 -5.645 -5.485 1.00 0.00 C ATOM 311 C GLY A 17 -5.605 -6.213 -4.081 1.00 0.00 C ATOM 312 O GLY A 17 -6.014 -7.359 -3.885 1.00 0.00 O ATOM 0 H GLY A 17 -5.132 -3.590 -5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.545 -5.364 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.193 -6.417 -6.171 1.00 0.00 H new ATOM 316 N LEU A 18 -5.197 -5.414 -3.102 1.00 0.00 N ATOM 317 CA LEU A 18 -5.207 -5.845 -1.708 1.00 0.00 C ATOM 318 C LEU A 18 -6.626 -5.841 -1.147 1.00 0.00 C ATOM 319 O LEU A 18 -7.446 -4.982 -1.472 1.00 0.00 O ATOM 320 CB LEU A 18 -4.311 -4.935 -0.866 1.00 0.00 C ATOM 321 CG LEU A 18 -2.822 -4.953 -1.212 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.114 -3.762 -0.586 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.184 -6.257 -0.753 1.00 0.00 C ATOM 0 H LEU A 18 -4.855 -4.464 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.822 -6.864 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.674 -3.912 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.424 -5.216 0.181 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.719 -4.882 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.055 -3.792 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.553 -2.838 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.225 -3.801 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.124 -6.253 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.298 -6.358 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.673 -7.096 -1.249 1.00 0.00 H new ATOM 335 N PRO A 19 -6.923 -6.822 -0.282 1.00 0.00 N ATOM 336 CA PRO A 19 -8.241 -6.952 0.345 1.00 0.00 C ATOM 337 C PRO A 19 -8.514 -5.844 1.356 1.00 0.00 C ATOM 338 O PRO A 19 -7.588 -5.292 1.950 1.00 0.00 O ATOM 339 CB PRO A 19 -8.168 -8.311 1.046 1.00 0.00 C ATOM 340 CG PRO A 19 -6.716 -8.529 1.299 1.00 0.00 C ATOM 341 CD PRO A 19 -5.994 -7.880 0.151 1.00 0.00 C ATOM 0 HA PRO A 19 -9.048 -6.876 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.736 -8.308 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.584 -9.102 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.415 -8.088 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.485 -9.593 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.033 -7.469 0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.793 -8.591 -0.650 1.00 0.00 H new ATOM 349 N TRP A 20 -9.789 -5.526 1.548 1.00 0.00 N ATOM 350 CA TRP A 20 -10.183 -4.484 2.490 1.00 0.00 C ATOM 351 C TRP A 20 -9.796 -4.863 3.915 1.00 0.00 C ATOM 352 O TRP A 20 -9.871 -4.040 4.828 1.00 0.00 O ATOM 353 CB TRP A 20 -11.690 -4.235 2.406 1.00 0.00 C ATOM 354 CG TRP A 20 -12.079 -3.318 1.286 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.337 -3.013 0.181 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.304 -2.586 1.164 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.026 -2.135 -0.621 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.236 -1.859 -0.040 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.452 -2.477 1.954 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.272 -1.033 -0.470 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.478 -1.657 1.526 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.384 -0.945 0.323 1.00 0.00 C ATOM 0 H TRP A 20 -10.567 -5.974 1.065 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.655 -3.569 2.222 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.202 -5.189 2.280 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.034 -3.811 3.349 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.353 -3.404 -0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.691 -1.751 -1.505 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.535 -3.024 2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.200 -0.482 -1.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.369 -1.563 2.130 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.205 -0.314 0.015 1.00 0.00 H new ATOM 373 N SER A 21 -9.383 -6.113 4.099 1.00 0.00 N ATOM 374 CA SER A 21 -8.988 -6.601 5.414 1.00 0.00 C ATOM 375 C SER A 21 -7.482 -6.840 5.476 1.00 0.00 C ATOM 376 O SER A 21 -6.978 -7.455 6.416 1.00 0.00 O ATOM 377 CB SER A 21 -9.734 -7.895 5.747 1.00 0.00 C ATOM 378 OG SER A 21 -9.313 -8.957 4.909 1.00 0.00 O ATOM 0 H SER A 21 -9.313 -6.806 3.354 1.00 0.00 H new ATOM 0 HA SER A 21 -9.248 -5.840 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.561 -8.160 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.807 -7.740 5.632 1.00 0.00 H new ATOM 0 HG SER A 21 -9.803 -9.773 5.143 1.00 0.00 H new ATOM 384 N CYS A 22 -6.770 -6.348 4.468 1.00 0.00 N ATOM 385 CA CYS A 22 -5.321 -6.508 4.405 1.00 0.00 C ATOM 386 C CYS A 22 -4.646 -5.806 5.579 1.00 0.00 C ATOM 387 O CYS A 22 -4.928 -4.643 5.866 1.00 0.00 O ATOM 388 CB CYS A 22 -4.783 -5.953 3.086 1.00 0.00 C ATOM 389 SG CYS A 22 -3.022 -6.266 2.817 1.00 0.00 S ATOM 0 H CYS A 22 -7.172 -5.835 3.683 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.094 -7.573 4.462 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.349 -6.390 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.958 -4.878 3.058 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.873 -7.390 2.181 1.00 0.00 H new ATOM 395 N SER A 23 -3.755 -6.523 6.256 1.00 0.00 N ATOM 396 CA SER A 23 -3.043 -5.971 7.403 1.00 0.00 C ATOM 397 C SER A 23 -1.534 -6.013 7.178 1.00 0.00 C ATOM 398 O SER A 23 -1.026 -6.881 6.467 1.00 0.00 O ATOM 399 CB SER A 23 -3.401 -6.745 8.673 1.00 0.00 C ATOM 400 OG SER A 23 -4.616 -6.275 9.232 1.00 0.00 O ATOM 0 H SER A 23 -3.509 -7.487 6.030 1.00 0.00 H new ATOM 0 HA SER A 23 -3.347 -4.931 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.490 -7.807 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.598 -6.643 9.403 1.00 0.00 H new ATOM 0 HG SER A 23 -4.823 -6.787 10.041 1.00 0.00 H new ATOM 406 N ILE A 24 -0.825 -5.069 7.787 1.00 0.00 N ATOM 407 CA ILE A 24 0.624 -4.997 7.654 1.00 0.00 C ATOM 408 C ILE A 24 1.243 -6.391 7.625 1.00 0.00 C ATOM 409 O ILE A 24 2.111 -6.677 6.802 1.00 0.00 O ATOM 410 CB ILE A 24 1.256 -4.192 8.805 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.824 -2.726 8.728 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.773 -4.305 8.761 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.301 -1.893 9.897 1.00 0.00 C ATOM 0 H ILE A 24 -1.231 -4.343 8.378 1.00 0.00 H new ATOM 0 HA ILE A 24 0.829 -4.490 6.711 1.00 0.00 H new ATOM 0 HB ILE A 24 0.908 -4.605 9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.205 -2.292 7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.264 -2.678 8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.205 -3.731 9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.063 -5.351 8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.140 -3.914 7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.958 -0.866 9.776 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.899 -2.303 10.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.390 -1.910 9.935 1.00 0.00 H new ATOM 425 N GLU A 25 0.788 -7.254 8.528 1.00 0.00 N ATOM 426 CA GLU A 25 1.297 -8.618 8.604 1.00 0.00 C ATOM 427 C GLU A 25 1.184 -9.317 7.252 1.00 0.00 C ATOM 428 O GLU A 25 2.151 -9.899 6.760 1.00 0.00 O ATOM 429 CB GLU A 25 0.533 -9.412 9.666 1.00 0.00 C ATOM 430 CG GLU A 25 0.985 -9.120 11.087 1.00 0.00 C ATOM 431 CD GLU A 25 -0.082 -9.441 12.116 1.00 0.00 C ATOM 432 OE1 GLU A 25 -0.540 -10.602 12.153 1.00 0.00 O ATOM 433 OE2 GLU A 25 -0.456 -8.531 12.885 1.00 0.00 O ATOM 0 H GLU A 25 0.069 -7.033 9.216 1.00 0.00 H new ATOM 0 HA GLU A 25 2.350 -8.571 8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.530 -9.189 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.653 -10.477 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.882 -9.700 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.258 -8.068 11.168 1.00 0.00 H new ATOM 440 N ASP A 26 -0.002 -9.255 6.658 1.00 0.00 N ATOM 441 CA ASP A 26 -0.242 -9.881 5.363 1.00 0.00 C ATOM 442 C ASP A 26 0.748 -9.370 4.321 1.00 0.00 C ATOM 443 O ASP A 26 1.219 -10.127 3.473 1.00 0.00 O ATOM 444 CB ASP A 26 -1.674 -9.611 4.899 1.00 0.00 C ATOM 445 CG ASP A 26 -2.677 -10.549 5.542 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.265 -11.636 5.997 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.874 -10.196 5.590 1.00 0.00 O ATOM 0 H ASP A 26 -0.813 -8.778 7.052 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.102 -10.956 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.941 -8.581 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.727 -9.714 3.815 1.00 0.00 H new ATOM 452 N VAL A 27 1.058 -8.079 4.389 1.00 0.00 N ATOM 453 CA VAL A 27 1.991 -7.466 3.452 1.00 0.00 C ATOM 454 C VAL A 27 3.421 -7.920 3.724 1.00 0.00 C ATOM 455 O VAL A 27 4.148 -8.296 2.804 1.00 0.00 O ATOM 456 CB VAL A 27 1.931 -5.928 3.524 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.863 -5.308 2.494 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.503 -5.442 3.324 1.00 0.00 C ATOM 0 H VAL A 27 0.676 -7.437 5.084 1.00 0.00 H new ATOM 0 HA VAL A 27 1.693 -7.788 2.454 1.00 0.00 H new ATOM 0 HB VAL A 27 2.263 -5.614 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.807 -4.221 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.886 -5.631 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.565 -5.627 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.478 -4.354 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.142 -5.765 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.136 -5.858 4.103 1.00 0.00 H new ATOM 468 N GLN A 28 3.817 -7.884 4.992 1.00 0.00 N ATOM 469 CA GLN A 28 5.160 -8.292 5.384 1.00 0.00 C ATOM 470 C GLN A 28 5.460 -9.709 4.907 1.00 0.00 C ATOM 471 O GLN A 28 6.506 -9.966 4.312 1.00 0.00 O ATOM 472 CB GLN A 28 5.318 -8.209 6.904 1.00 0.00 C ATOM 473 CG GLN A 28 5.264 -6.790 7.444 1.00 0.00 C ATOM 474 CD GLN A 28 5.455 -6.730 8.947 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.515 -6.946 9.713 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.676 -6.436 9.378 1.00 0.00 N ATOM 0 H GLN A 28 3.227 -7.577 5.765 1.00 0.00 H new ATOM 0 HA GLN A 28 5.870 -7.612 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.532 -8.799 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.269 -8.661 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.035 -6.191 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.304 -6.343 7.185 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.426 -6.264 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.864 -6.382 10.379 1.00 0.00 H new ATOM 485 N ASN A 29 4.535 -10.626 5.171 1.00 0.00 N ATOM 486 CA ASN A 29 4.700 -12.018 4.769 1.00 0.00 C ATOM 487 C ASN A 29 4.702 -12.148 3.249 1.00 0.00 C ATOM 488 O ASN A 29 5.477 -12.918 2.682 1.00 0.00 O ATOM 489 CB ASN A 29 3.585 -12.879 5.365 1.00 0.00 C ATOM 490 CG ASN A 29 3.751 -13.088 6.858 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.528 -13.937 7.295 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.019 -12.312 7.649 1.00 0.00 N ATOM 0 H ASN A 29 3.663 -10.430 5.662 1.00 0.00 H new ATOM 0 HA ASN A 29 5.660 -12.368 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.622 -12.406 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.571 -13.847 4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.088 -12.407 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.388 -11.621 7.243 1.00 0.00 H new ATOM 499 N PHE A 30 3.828 -11.390 2.595 1.00 0.00 N ATOM 500 CA PHE A 30 3.728 -11.421 1.140 1.00 0.00 C ATOM 501 C PHE A 30 5.071 -11.093 0.495 1.00 0.00 C ATOM 502 O PHE A 30 5.546 -11.817 -0.381 1.00 0.00 O ATOM 503 CB PHE A 30 2.664 -10.431 0.661 1.00 0.00 C ATOM 504 CG PHE A 30 2.561 -10.340 -0.835 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.537 -9.687 -1.571 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.489 -10.907 -1.505 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.445 -9.601 -2.947 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.392 -10.824 -2.882 1.00 0.00 C ATOM 509 CZ PHE A 30 2.372 -10.171 -3.604 1.00 0.00 C ATOM 0 H PHE A 30 3.179 -10.747 3.049 1.00 0.00 H new ATOM 0 HA PHE A 30 3.439 -12.429 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.696 -10.725 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.891 -9.443 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.379 -9.240 -1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.720 -11.420 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.212 -9.088 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.551 -11.269 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.299 -10.106 -4.680 1.00 0.00 H new ATOM 519 N LEU A 31 5.679 -9.996 0.934 1.00 0.00 N ATOM 520 CA LEU A 31 6.968 -9.570 0.401 1.00 0.00 C ATOM 521 C LEU A 31 8.116 -10.147 1.224 1.00 0.00 C ATOM 522 O LEU A 31 9.130 -9.484 1.442 1.00 0.00 O ATOM 523 CB LEU A 31 7.056 -8.043 0.382 1.00 0.00 C ATOM 524 CG LEU A 31 6.171 -7.332 -0.643 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.409 -5.831 -0.603 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.429 -7.879 -2.039 1.00 0.00 C ATOM 0 H LEU A 31 5.300 -9.386 1.658 1.00 0.00 H new ATOM 0 HA LEU A 31 7.052 -9.945 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.799 -7.672 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.092 -7.761 0.195 1.00 0.00 H new ATOM 0 HG LEU A 31 5.128 -7.520 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.771 -5.342 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.173 -5.452 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.454 -5.622 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.791 -7.362 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.474 -7.721 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.207 -8.946 -2.059 1.00 0.00 H new ATOM 538 N SER A 32 7.949 -11.386 1.675 1.00 0.00 N ATOM 539 CA SER A 32 8.970 -12.051 2.475 1.00 0.00 C ATOM 540 C SER A 32 10.331 -11.977 1.790 1.00 0.00 C ATOM 541 O SER A 32 11.296 -11.461 2.355 1.00 0.00 O ATOM 542 CB SER A 32 8.587 -13.513 2.717 1.00 0.00 C ATOM 543 OG SER A 32 8.474 -14.219 1.493 1.00 0.00 O ATOM 0 H SER A 32 7.117 -11.949 1.500 1.00 0.00 H new ATOM 0 HA SER A 32 9.037 -11.537 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.338 -13.989 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.641 -13.560 3.257 1.00 0.00 H new ATOM 0 HG SER A 32 8.230 -15.151 1.674 1.00 0.00 H new ATOM 549 N ASP A 33 10.401 -12.497 0.569 1.00 0.00 N ATOM 550 CA ASP A 33 11.643 -12.489 -0.195 1.00 0.00 C ATOM 551 C ASP A 33 12.321 -11.125 -0.116 1.00 0.00 C ATOM 552 O ASP A 33 13.527 -11.008 -0.336 1.00 0.00 O ATOM 553 CB ASP A 33 11.370 -12.853 -1.656 1.00 0.00 C ATOM 554 CG ASP A 33 10.559 -14.126 -1.793 1.00 0.00 C ATOM 555 OD1 ASP A 33 10.975 -15.158 -1.228 1.00 0.00 O ATOM 556 OD2 ASP A 33 9.508 -14.091 -2.468 1.00 0.00 O ATOM 0 H ASP A 33 9.612 -12.929 0.088 1.00 0.00 H new ATOM 0 HA ASP A 33 12.312 -13.233 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.838 -12.033 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.318 -12.971 -2.181 1.00 0.00 H new ATOM 561 N CYS A 34 11.540 -10.099 0.198 1.00 0.00 N ATOM 562 CA CYS A 34 12.065 -8.742 0.305 1.00 0.00 C ATOM 563 C CYS A 34 12.240 -8.340 1.765 1.00 0.00 C ATOM 564 O CYS A 34 11.589 -8.890 2.655 1.00 0.00 O ATOM 565 CB CYS A 34 11.133 -7.755 -0.401 1.00 0.00 C ATOM 566 SG CYS A 34 10.826 -8.144 -2.140 1.00 0.00 S ATOM 0 H CYS A 34 10.540 -10.180 0.383 1.00 0.00 H new ATOM 0 HA CYS A 34 13.042 -8.718 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.180 -7.729 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.562 -6.755 -0.334 1.00 0.00 H new ATOM 0 HG CYS A 34 11.417 -7.264 -2.892 1.00 0.00 H new ATOM 572 N THR A 35 13.124 -7.377 2.007 1.00 0.00 N ATOM 573 CA THR A 35 13.387 -6.903 3.360 1.00 0.00 C ATOM 574 C THR A 35 12.806 -5.510 3.577 1.00 0.00 C ATOM 575 O THR A 35 13.479 -4.504 3.352 1.00 0.00 O ATOM 576 CB THR A 35 14.898 -6.868 3.659 1.00 0.00 C ATOM 577 OG1 THR A 35 15.462 -8.173 3.485 1.00 0.00 O ATOM 578 CG2 THR A 35 15.157 -6.383 5.077 1.00 0.00 C ATOM 0 H THR A 35 13.670 -6.910 1.283 1.00 0.00 H new ATOM 0 HA THR A 35 12.905 -7.605 4.040 1.00 0.00 H new ATOM 0 HB THR A 35 15.368 -6.174 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.423 -8.142 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.230 -6.367 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.752 -5.378 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.674 -7.056 5.786 1.00 0.00 H new ATOM 586 N ILE A 36 11.552 -5.459 4.015 1.00 0.00 N ATOM 587 CA ILE A 36 10.882 -4.190 4.264 1.00 0.00 C ATOM 588 C ILE A 36 11.636 -3.363 5.300 1.00 0.00 C ATOM 589 O ILE A 36 11.990 -3.861 6.370 1.00 0.00 O ATOM 590 CB ILE A 36 9.435 -4.402 4.748 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.619 -5.133 3.680 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.791 -3.068 5.094 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.371 -5.795 4.221 1.00 0.00 C ATOM 0 H ILE A 36 10.980 -6.282 4.204 1.00 0.00 H new ATOM 0 HA ILE A 36 10.865 -3.652 3.316 1.00 0.00 H new ATOM 0 HB ILE A 36 9.455 -5.017 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.336 -4.424 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.247 -5.889 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.769 -3.235 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.362 -2.583 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.780 -2.429 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.842 -6.294 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.647 -6.528 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.723 -5.040 4.666 1.00 0.00 H new ATOM 605 N HIS A 37 11.878 -2.097 4.977 1.00 0.00 N ATOM 606 CA HIS A 37 12.589 -1.200 5.881 1.00 0.00 C ATOM 607 C HIS A 37 11.721 -0.839 7.083 1.00 0.00 C ATOM 608 O HIS A 37 10.605 -0.342 6.928 1.00 0.00 O ATOM 609 CB HIS A 37 13.013 0.071 5.144 1.00 0.00 C ATOM 610 CG HIS A 37 13.332 1.215 6.056 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.602 1.468 6.530 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.537 2.177 6.581 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.574 2.536 7.308 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.333 2.985 7.355 1.00 0.00 N ATOM 0 H HIS A 37 11.592 -1.669 4.096 1.00 0.00 H new ATOM 0 HA HIS A 37 13.479 -1.717 6.240 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.887 -0.149 4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.215 0.370 4.465 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.475 2.288 6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.422 2.968 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.017 3.800 7.881 1.00 0.00 H new ATOM 623 N ASP A 38 12.239 -1.094 8.279 1.00 0.00 N ATOM 624 CA ASP A 38 11.512 -0.796 9.507 1.00 0.00 C ATOM 625 C ASP A 38 10.266 -1.669 9.626 1.00 0.00 C ATOM 626 O ASP A 38 9.300 -1.302 10.292 1.00 0.00 O ATOM 627 CB ASP A 38 11.119 0.682 9.547 1.00 0.00 C ATOM 628 CG ASP A 38 12.315 1.602 9.398 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.425 1.095 9.136 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.139 2.830 9.544 1.00 0.00 O ATOM 0 H ASP A 38 13.160 -1.507 8.424 1.00 0.00 H new ATOM 0 HA ASP A 38 12.168 -1.013 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.405 0.887 8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.615 0.896 10.489 1.00 0.00 H new ATOM 635 N GLY A 39 10.297 -2.828 8.974 1.00 0.00 N ATOM 636 CA GLY A 39 9.165 -3.734 9.018 1.00 0.00 C ATOM 637 C GLY A 39 7.838 -3.003 9.062 1.00 0.00 C ATOM 638 O GLY A 39 7.586 -2.110 8.252 1.00 0.00 O ATOM 0 H GLY A 39 11.086 -3.155 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.189 -4.384 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.252 -4.376 9.894 1.00 0.00 H new ATOM 642 N VAL A 40 6.985 -3.383 10.008 1.00 0.00 N ATOM 643 CA VAL A 40 5.676 -2.758 10.154 1.00 0.00 C ATOM 644 C VAL A 40 5.770 -1.244 9.997 1.00 0.00 C ATOM 645 O VAL A 40 4.847 -0.604 9.493 1.00 0.00 O ATOM 646 CB VAL A 40 5.048 -3.083 11.522 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.846 -4.583 11.674 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.912 -2.536 12.648 1.00 0.00 C ATOM 0 H VAL A 40 7.177 -4.121 10.685 1.00 0.00 H new ATOM 0 HA VAL A 40 5.042 -3.164 9.366 1.00 0.00 H new ATOM 0 HB VAL A 40 4.072 -2.602 11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.401 -4.794 12.647 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.183 -4.943 10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.808 -5.089 11.598 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.453 -2.775 13.607 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.903 -2.986 12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.000 -1.454 12.547 1.00 0.00 H new ATOM 658 N ALA A 41 6.891 -0.678 10.431 1.00 0.00 N ATOM 659 CA ALA A 41 7.107 0.761 10.336 1.00 0.00 C ATOM 660 C ALA A 41 7.595 1.152 8.946 1.00 0.00 C ATOM 661 O ALA A 41 8.230 2.192 8.770 1.00 0.00 O ATOM 662 CB ALA A 41 8.100 1.216 11.395 1.00 0.00 C ATOM 0 H ALA A 41 7.664 -1.194 10.852 1.00 0.00 H new ATOM 0 HA ALA A 41 6.153 1.260 10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.252 2.292 11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.710 0.979 12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.050 0.703 11.247 1.00 0.00 H new ATOM 668 N GLY A 42 7.297 0.312 7.960 1.00 0.00 N ATOM 669 CA GLY A 42 7.714 0.588 6.598 1.00 0.00 C ATOM 670 C GLY A 42 6.579 0.448 5.604 1.00 0.00 C ATOM 671 O GLY A 42 6.658 0.954 4.484 1.00 0.00 O ATOM 0 H GLY A 42 6.774 -0.555 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.118 1.599 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.520 -0.093 6.323 1.00 0.00 H new ATOM 675 N VAL A 43 5.518 -0.241 6.012 1.00 0.00 N ATOM 676 CA VAL A 43 4.361 -0.446 5.149 1.00 0.00 C ATOM 677 C VAL A 43 3.387 0.722 5.249 1.00 0.00 C ATOM 678 O VAL A 43 3.055 1.175 6.345 1.00 0.00 O ATOM 679 CB VAL A 43 3.621 -1.750 5.502 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.410 -1.938 4.602 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.562 -2.941 5.399 1.00 0.00 C ATOM 0 H VAL A 43 5.436 -0.667 6.935 1.00 0.00 H new ATOM 0 HA VAL A 43 4.736 -0.516 4.128 1.00 0.00 H new ATOM 0 HB VAL A 43 3.271 -1.681 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.900 -2.864 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.727 -1.098 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.733 -1.986 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.023 -3.854 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.944 -3.016 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.394 -2.808 6.090 1.00 0.00 H new ATOM 691 N HIS A 44 2.930 1.205 4.098 1.00 0.00 N ATOM 692 CA HIS A 44 1.991 2.321 4.056 1.00 0.00 C ATOM 693 C HIS A 44 0.798 1.993 3.164 1.00 0.00 C ATOM 694 O HIS A 44 0.949 1.780 1.961 1.00 0.00 O ATOM 695 CB HIS A 44 2.690 3.583 3.549 1.00 0.00 C ATOM 696 CG HIS A 44 3.944 3.915 4.297 1.00 0.00 C ATOM 697 ND1 HIS A 44 3.963 4.723 5.415 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.227 3.541 4.084 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.204 4.833 5.855 1.00 0.00 C ATOM 700 NE2 HIS A 44 5.990 4.125 5.065 1.00 0.00 N ATOM 0 H HIS A 44 3.194 0.841 3.182 1.00 0.00 H new ATOM 0 HA HIS A 44 1.628 2.497 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.929 3.456 2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.000 4.424 3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.584 2.902 3.290 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.521 5.405 6.715 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.000 4.028 5.167 1.00 0.00 H new ATOM 709 N PHE A 45 -0.389 1.954 3.762 1.00 0.00 N ATOM 710 CA PHE A 45 -1.608 1.651 3.022 1.00 0.00 C ATOM 711 C PHE A 45 -2.232 2.923 2.457 1.00 0.00 C ATOM 712 O PHE A 45 -2.028 4.016 2.987 1.00 0.00 O ATOM 713 CB PHE A 45 -2.613 0.934 3.926 1.00 0.00 C ATOM 714 CG PHE A 45 -2.277 -0.510 4.169 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.614 -1.479 3.238 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.626 -0.897 5.329 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.306 -2.809 3.458 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.315 -2.225 5.554 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.656 -3.182 4.619 1.00 0.00 C ATOM 0 H PHE A 45 -0.532 2.128 4.757 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.346 0.997 2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.663 1.453 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.604 0.998 3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.123 -1.192 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.359 -0.153 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.573 -3.555 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.805 -2.514 6.461 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.415 -4.220 4.795 1.00 0.00 H new ATOM 729 N ILE A 46 -2.994 2.773 1.379 1.00 0.00 N ATOM 730 CA ILE A 46 -3.648 3.909 0.742 1.00 0.00 C ATOM 731 C ILE A 46 -5.125 3.974 1.117 1.00 0.00 C ATOM 732 O ILE A 46 -5.848 2.983 1.009 1.00 0.00 O ATOM 733 CB ILE A 46 -3.522 3.845 -0.792 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.055 3.696 -1.198 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.130 5.087 -1.426 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.201 4.888 -0.826 1.00 0.00 C ATOM 0 H ILE A 46 -3.174 1.876 0.928 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.144 4.806 1.102 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.069 2.974 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.645 2.804 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.999 3.541 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.033 5.027 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.185 5.153 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.608 5.973 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.173 4.713 -1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.587 5.780 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.227 5.031 0.254 1.00 0.00 H new ATOM 881 N GLY A 55 -7.301 0.071 -1.437 1.00 0.00 N ATOM 882 CA GLY A 55 -6.658 -1.158 -1.863 1.00 0.00 C ATOM 883 C GLY A 55 -5.161 -0.997 -2.046 1.00 0.00 C ATOM 884 O GLY A 55 -4.381 -1.832 -1.590 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.849 -1.938 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.102 -1.490 -2.801 1.00 0.00 H new ATOM 888 N GLU A 56 -4.761 0.080 -2.715 1.00 0.00 N ATOM 889 CA GLU A 56 -3.348 0.345 -2.959 1.00 0.00 C ATOM 890 C GLU A 56 -2.595 0.530 -1.645 1.00 0.00 C ATOM 891 O GLU A 56 -3.141 1.050 -0.672 1.00 0.00 O ATOM 892 CB GLU A 56 -3.184 1.590 -3.833 1.00 0.00 C ATOM 893 CG GLU A 56 -3.547 1.363 -5.291 1.00 0.00 C ATOM 894 CD GLU A 56 -3.822 2.657 -6.032 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.744 3.392 -5.619 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.117 2.934 -7.024 1.00 0.00 O ATOM 0 H GLU A 56 -5.395 0.782 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.928 -0.515 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.807 2.389 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.151 1.932 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.734 0.831 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.427 0.723 -5.347 1.00 0.00 H new ATOM 903 N ALA A 57 -1.338 0.099 -1.624 1.00 0.00 N ATOM 904 CA ALA A 57 -0.509 0.218 -0.431 1.00 0.00 C ATOM 905 C ALA A 57 0.971 0.102 -0.778 1.00 0.00 C ATOM 906 O ALA A 57 1.408 -0.896 -1.352 1.00 0.00 O ATOM 907 CB ALA A 57 -0.899 -0.841 0.590 1.00 0.00 C ATOM 0 H ALA A 57 -0.871 -0.336 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.677 1.204 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.272 -0.741 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.945 -0.710 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.760 -1.832 0.158 1.00 0.00 H new ATOM 913 N PHE A 58 1.739 1.127 -0.425 1.00 0.00 N ATOM 914 CA PHE A 58 3.171 1.141 -0.701 1.00 0.00 C ATOM 915 C PHE A 58 3.942 0.403 0.390 1.00 0.00 C ATOM 916 O PHE A 58 3.392 0.076 1.442 1.00 0.00 O ATOM 917 CB PHE A 58 3.677 2.580 -0.813 1.00 0.00 C ATOM 918 CG PHE A 58 3.147 3.310 -2.015 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.807 3.653 -2.098 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.989 3.653 -3.060 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.317 4.323 -3.203 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.504 4.323 -4.168 1.00 0.00 C ATOM 923 CZ PHE A 58 2.167 4.660 -4.238 1.00 0.00 C ATOM 0 H PHE A 58 1.394 1.959 0.053 1.00 0.00 H new ATOM 0 HA PHE A 58 3.338 0.630 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.396 3.127 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.766 2.572 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.138 3.394 -1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.036 3.394 -3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.270 4.583 -3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.170 4.582 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.786 5.186 -5.101 1.00 0.00 H new ATOM 933 N VAL A 59 5.219 0.143 0.131 1.00 0.00 N ATOM 934 CA VAL A 59 6.067 -0.556 1.090 1.00 0.00 C ATOM 935 C VAL A 59 7.533 -0.182 0.902 1.00 0.00 C ATOM 936 O VAL A 59 8.055 -0.219 -0.212 1.00 0.00 O ATOM 937 CB VAL A 59 5.917 -2.084 0.963 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.850 -2.794 1.932 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.473 -2.499 1.198 1.00 0.00 C ATOM 0 H VAL A 59 5.690 0.406 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 59 5.741 -0.248 2.084 1.00 0.00 H new ATOM 0 HB VAL A 59 6.194 -2.376 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.730 -3.872 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.882 -2.520 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.608 -2.499 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.386 -3.581 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.165 -2.195 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.831 -2.018 0.460 1.00 0.00 H new ATOM 949 N GLU A 60 8.192 0.176 2.000 1.00 0.00 N ATOM 950 CA GLU A 60 9.599 0.557 1.955 1.00 0.00 C ATOM 951 C GLU A 60 10.499 -0.670 2.068 1.00 0.00 C ATOM 952 O GLU A 60 10.186 -1.619 2.789 1.00 0.00 O ATOM 953 CB GLU A 60 9.920 1.543 3.080 1.00 0.00 C ATOM 954 CG GLU A 60 9.407 2.950 2.820 1.00 0.00 C ATOM 955 CD GLU A 60 9.565 3.860 4.023 1.00 0.00 C ATOM 956 OE1 GLU A 60 8.856 3.644 5.028 1.00 0.00 O ATOM 957 OE2 GLU A 60 10.399 4.788 3.959 1.00 0.00 O ATOM 0 H GLU A 60 7.775 0.210 2.930 1.00 0.00 H new ATOM 0 HA GLU A 60 9.788 1.038 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.488 1.174 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.000 1.580 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.943 3.377 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.355 2.903 2.540 1.00 0.00 H new ATOM 964 N LEU A 61 11.617 -0.645 1.351 1.00 0.00 N ATOM 965 CA LEU A 61 12.563 -1.755 1.370 1.00 0.00 C ATOM 966 C LEU A 61 13.871 -1.345 2.037 1.00 0.00 C ATOM 967 O LEU A 61 14.080 -0.172 2.344 1.00 0.00 O ATOM 968 CB LEU A 61 12.835 -2.244 -0.055 1.00 0.00 C ATOM 969 CG LEU A 61 11.608 -2.656 -0.869 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.017 -3.091 -2.267 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.849 -3.770 -0.162 1.00 0.00 C ATOM 0 H LEU A 61 11.891 0.132 0.749 1.00 0.00 H new ATOM 0 HA LEU A 61 12.121 -2.566 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.356 -1.454 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.514 -3.095 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 61 10.948 -1.793 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.131 -3.381 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.516 -2.265 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.698 -3.940 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.979 -4.051 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.501 -4.635 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.523 -3.423 0.818 1.00 0.00 H new ATOM 983 N GLU A 62 14.749 -2.319 2.257 1.00 0.00 N ATOM 984 CA GLU A 62 16.037 -2.057 2.887 1.00 0.00 C ATOM 985 C GLU A 62 17.092 -1.703 1.843 1.00 0.00 C ATOM 986 O GLU A 62 17.850 -0.748 2.010 1.00 0.00 O ATOM 987 CB GLU A 62 16.492 -3.275 3.694 1.00 0.00 C ATOM 988 CG GLU A 62 17.855 -3.101 4.343 1.00 0.00 C ATOM 989 CD GLU A 62 17.891 -1.944 5.323 1.00 0.00 C ATOM 990 OE1 GLU A 62 18.105 -0.797 4.878 1.00 0.00 O ATOM 991 OE2 GLU A 62 17.705 -2.185 6.534 1.00 0.00 O ATOM 0 H GLU A 62 14.592 -3.296 2.008 1.00 0.00 H new ATOM 0 HA GLU A 62 15.917 -1.208 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.754 -3.483 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.520 -4.145 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.126 -4.020 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.604 -2.939 3.568 1.00 0.00 H new ATOM 998 N SER A 63 17.133 -2.480 0.765 1.00 0.00 N ATOM 999 CA SER A 63 18.097 -2.252 -0.305 1.00 0.00 C ATOM 1000 C SER A 63 17.430 -2.374 -1.672 1.00 0.00 C ATOM 1001 O SER A 63 16.239 -2.666 -1.768 1.00 0.00 O ATOM 1002 CB SER A 63 19.254 -3.248 -0.200 1.00 0.00 C ATOM 1003 OG SER A 63 19.793 -3.266 1.110 1.00 0.00 O ATOM 0 H SER A 63 16.510 -3.273 0.610 1.00 0.00 H new ATOM 0 HA SER A 63 18.487 -1.240 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.905 -4.245 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.033 -2.982 -0.914 1.00 0.00 H new ATOM 0 HG SER A 63 20.530 -3.911 1.152 1.00 0.00 H new ATOM 1009 N GLU A 64 18.208 -2.146 -2.726 1.00 0.00 N ATOM 1010 CA GLU A 64 17.692 -2.229 -4.087 1.00 0.00 C ATOM 1011 C GLU A 64 17.208 -3.642 -4.401 1.00 0.00 C ATOM 1012 O GLU A 64 16.055 -3.844 -4.781 1.00 0.00 O ATOM 1013 CB GLU A 64 18.770 -1.813 -5.090 1.00 0.00 C ATOM 1014 CG GLU A 64 18.240 -1.594 -6.498 1.00 0.00 C ATOM 1015 CD GLU A 64 19.310 -1.109 -7.456 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.338 -1.803 -7.598 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.119 -0.035 -8.063 1.00 0.00 O ATOM 0 H GLU A 64 19.197 -1.903 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 64 16.845 -1.547 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.243 -0.895 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.544 -2.580 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.818 -2.527 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.428 -0.867 -6.468 1.00 0.00 H new ATOM 1024 N ASP A 65 18.097 -4.615 -4.238 1.00 0.00 N ATOM 1025 CA ASP A 65 17.762 -6.009 -4.503 1.00 0.00 C ATOM 1026 C ASP A 65 16.319 -6.306 -4.107 1.00 0.00 C ATOM 1027 O ASP A 65 15.600 -7.006 -4.820 1.00 0.00 O ATOM 1028 CB ASP A 65 18.712 -6.938 -3.745 1.00 0.00 C ATOM 1029 CG ASP A 65 19.986 -7.218 -4.518 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.944 -8.051 -5.447 1.00 0.00 O ATOM 1031 OD2 ASP A 65 21.025 -6.605 -4.193 1.00 0.00 O ATOM 0 H ASP A 65 19.056 -4.464 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 65 17.871 -6.185 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.964 -6.490 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.204 -7.879 -3.534 1.00 0.00 H new ATOM 1036 N ASP A 66 15.902 -5.770 -2.965 1.00 0.00 N ATOM 1037 CA ASP A 66 14.545 -5.976 -2.473 1.00 0.00 C ATOM 1038 C ASP A 66 13.518 -5.596 -3.536 1.00 0.00 C ATOM 1039 O ASP A 66 12.581 -6.347 -3.806 1.00 0.00 O ATOM 1040 CB ASP A 66 14.309 -5.158 -1.203 1.00 0.00 C ATOM 1041 CG ASP A 66 15.036 -5.731 -0.002 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.036 -6.970 0.156 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.606 -4.940 0.779 1.00 0.00 O ATOM 0 H ASP A 66 16.485 -5.189 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 66 14.427 -7.034 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.639 -4.132 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.240 -5.119 -0.993 1.00 0.00 H new ATOM 1048 N VAL A 67 13.701 -4.424 -4.136 1.00 0.00 N ATOM 1049 CA VAL A 67 12.792 -3.943 -5.169 1.00 0.00 C ATOM 1050 C VAL A 67 12.623 -4.977 -6.277 1.00 0.00 C ATOM 1051 O VAL A 67 11.514 -5.437 -6.548 1.00 0.00 O ATOM 1052 CB VAL A 67 13.290 -2.623 -5.786 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.294 -2.102 -6.810 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.539 -1.588 -4.699 1.00 0.00 C ATOM 0 H VAL A 67 14.471 -3.790 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 67 11.830 -3.769 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 67 14.233 -2.815 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.664 -1.169 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.170 -2.838 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.333 -1.925 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.890 -0.661 -5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.612 -1.398 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.293 -1.962 -4.007 1.00 0.00 H new ATOM 1064 N LYS A 68 13.731 -5.339 -6.914 1.00 0.00 N ATOM 1065 CA LYS A 68 13.708 -6.321 -7.992 1.00 0.00 C ATOM 1066 C LYS A 68 12.958 -7.579 -7.566 1.00 0.00 C ATOM 1067 O LYS A 68 12.210 -8.164 -8.351 1.00 0.00 O ATOM 1068 CB LYS A 68 15.135 -6.682 -8.412 1.00 0.00 C ATOM 1069 CG LYS A 68 15.991 -5.476 -8.755 1.00 0.00 C ATOM 1070 CD LYS A 68 17.420 -5.880 -9.079 1.00 0.00 C ATOM 1071 CE LYS A 68 18.343 -4.673 -9.128 1.00 0.00 C ATOM 1072 NZ LYS A 68 18.205 -3.919 -10.404 1.00 0.00 N ATOM 0 H LYS A 68 14.657 -4.967 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 68 13.187 -5.879 -8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.612 -7.238 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.094 -7.345 -9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.558 -4.952 -9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.990 -4.778 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.779 -6.584 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.444 -6.397 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.121 -4.012 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.376 -5.001 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.851 -3.104 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.442 -4.542 -11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.226 -3.584 -10.505 1.00 0.00 H new ATOM 1086 N LEU A 69 13.162 -7.990 -6.320 1.00 0.00 N ATOM 1087 CA LEU A 69 12.503 -9.179 -5.789 1.00 0.00 C ATOM 1088 C LEU A 69 10.995 -8.970 -5.694 1.00 0.00 C ATOM 1089 O LEU A 69 10.214 -9.782 -6.187 1.00 0.00 O ATOM 1090 CB LEU A 69 13.069 -9.527 -4.411 1.00 0.00 C ATOM 1091 CG LEU A 69 14.540 -9.944 -4.376 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.048 -9.988 -2.943 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.729 -11.294 -5.052 1.00 0.00 C ATOM 0 H LEU A 69 13.778 -7.518 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 69 12.694 -10.006 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.941 -8.663 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.473 -10.336 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 69 15.121 -9.202 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.096 -10.287 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.950 -9.001 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.463 -10.708 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.782 -11.574 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.136 -12.047 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.405 -11.229 -6.091 1.00 0.00 H new ATOM 1105 N ALA A 70 10.594 -7.874 -5.058 1.00 0.00 N ATOM 1106 CA ALA A 70 9.181 -7.555 -4.902 1.00 0.00 C ATOM 1107 C ALA A 70 8.446 -7.652 -6.235 1.00 0.00 C ATOM 1108 O ALA A 70 7.353 -8.214 -6.313 1.00 0.00 O ATOM 1109 CB ALA A 70 9.015 -6.165 -4.306 1.00 0.00 C ATOM 0 H ALA A 70 11.229 -7.192 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 70 8.743 -8.285 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.954 -5.941 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.497 -6.128 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.474 -5.429 -4.966 1.00 0.00 H new ATOM 1115 N LEU A 71 9.052 -7.100 -7.280 1.00 0.00 N ATOM 1116 CA LEU A 71 8.454 -7.124 -8.611 1.00 0.00 C ATOM 1117 C LEU A 71 8.186 -8.556 -9.062 1.00 0.00 C ATOM 1118 O LEU A 71 7.353 -8.798 -9.936 1.00 0.00 O ATOM 1119 CB LEU A 71 9.371 -6.424 -9.616 1.00 0.00 C ATOM 1120 CG LEU A 71 9.598 -4.929 -9.388 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.713 -4.416 -10.286 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.313 -4.151 -9.633 1.00 0.00 C ATOM 0 H LEU A 71 9.956 -6.631 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 71 7.503 -6.593 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.339 -6.924 -9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.954 -6.560 -10.614 1.00 0.00 H new ATOM 0 HG LEU A 71 9.897 -4.780 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.861 -3.350 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.636 -4.952 -10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.443 -4.578 -11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.493 -3.089 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.984 -4.306 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.540 -4.500 -8.948 1.00 0.00 H new ATOM 1134 N LYS A 72 8.896 -9.504 -8.459 1.00 0.00 N ATOM 1135 CA LYS A 72 8.734 -10.913 -8.795 1.00 0.00 C ATOM 1136 C LYS A 72 7.446 -11.470 -8.196 1.00 0.00 C ATOM 1137 O LYS A 72 6.977 -12.538 -8.591 1.00 0.00 O ATOM 1138 CB LYS A 72 9.933 -11.720 -8.293 1.00 0.00 C ATOM 1139 CG LYS A 72 11.270 -11.188 -8.780 1.00 0.00 C ATOM 1140 CD LYS A 72 12.405 -12.143 -8.446 1.00 0.00 C ATOM 1141 CE LYS A 72 13.761 -11.526 -8.754 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.881 -12.397 -8.302 1.00 0.00 N ATOM 0 H LYS A 72 9.590 -9.321 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 72 8.676 -10.998 -9.880 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.928 -11.723 -7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.824 -12.756 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.230 -11.032 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.464 -10.217 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.357 -12.412 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.286 -13.065 -9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.846 -11.352 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.837 -10.554 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.721 -11.813 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.604 -12.896 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.102 -13.091 -9.044 1.00 0.00 H new ATOM 1156 N LYS A 73 6.878 -10.740 -7.243 1.00 0.00 N ATOM 1157 CA LYS A 73 5.643 -11.159 -6.591 1.00 0.00 C ATOM 1158 C LYS A 73 4.425 -10.659 -7.360 1.00 0.00 C ATOM 1159 O LYS A 73 3.304 -10.687 -6.852 1.00 0.00 O ATOM 1160 CB LYS A 73 5.600 -10.639 -5.152 1.00 0.00 C ATOM 1161 CG LYS A 73 6.920 -10.780 -4.414 1.00 0.00 C ATOM 1162 CD LYS A 73 7.211 -12.230 -4.064 1.00 0.00 C ATOM 1163 CE LYS A 73 6.458 -12.663 -2.815 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.309 -14.143 -2.743 1.00 0.00 N ATOM 0 H LYS A 73 7.254 -9.854 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 73 5.620 -12.249 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.310 -9.588 -5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.827 -11.177 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.727 -10.385 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.894 -10.183 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.930 -12.871 -4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.282 -12.360 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.987 -12.308 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.472 -12.198 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.733 -14.394 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.842 -14.487 -3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.248 -14.583 -2.658 1.00 0.00 H new ATOM 1178 N ASP A 74 4.652 -10.203 -8.587 1.00 0.00 N ATOM 1179 CA ASP A 74 3.572 -9.699 -9.428 1.00 0.00 C ATOM 1180 C ASP A 74 2.563 -10.801 -9.735 1.00 0.00 C ATOM 1181 O ASP A 74 2.888 -11.987 -9.678 1.00 0.00 O ATOM 1182 CB ASP A 74 4.135 -9.128 -10.730 1.00 0.00 C ATOM 1183 CG ASP A 74 4.238 -10.173 -11.823 1.00 0.00 C ATOM 1184 OD1 ASP A 74 5.206 -10.963 -11.800 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.352 -10.201 -12.702 1.00 0.00 O ATOM 0 H ASP A 74 5.574 -10.172 -9.022 1.00 0.00 H new ATOM 0 HA ASP A 74 3.061 -8.905 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.498 -8.312 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.122 -8.705 -10.541 1.00 0.00 H new ATOM 1190 N ARG A 75 1.338 -10.401 -10.060 1.00 0.00 N ATOM 1191 CA ARG A 75 0.281 -11.355 -10.374 1.00 0.00 C ATOM 1192 C ARG A 75 0.240 -12.480 -9.343 1.00 0.00 C ATOM 1193 O ARG A 75 -0.115 -13.614 -9.663 1.00 0.00 O ATOM 1194 CB ARG A 75 0.491 -11.938 -11.773 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.133 -11.104 -12.880 1.00 0.00 C ATOM 1196 CD ARG A 75 0.398 -11.507 -14.247 1.00 0.00 C ATOM 1197 NE ARG A 75 0.298 -10.418 -15.215 1.00 0.00 N ATOM 1198 CZ ARG A 75 0.320 -10.600 -16.531 1.00 0.00 C ATOM 1199 NH1 ARG A 75 0.437 -11.822 -17.032 1.00 0.00 N ATOM 1200 NH2 ARG A 75 0.224 -9.559 -17.347 1.00 0.00 N ATOM 0 H ARG A 75 1.053 -9.423 -10.113 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.672 -10.826 -10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.560 -12.034 -11.961 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.070 -12.943 -11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.216 -11.222 -12.860 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.076 -10.049 -12.704 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.439 -11.816 -14.155 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.159 -12.370 -14.613 1.00 0.00 H new ATOM 0 HE ARG A 75 0.206 -9.466 -14.861 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.510 -12.625 -16.407 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.454 -11.959 -18.043 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.133 -8.618 -16.964 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.241 -9.700 -18.357 1.00 0.00 H new ATOM 1214 N GLU A 76 0.605 -12.156 -8.107 1.00 0.00 N ATOM 1215 CA GLU A 76 0.611 -13.140 -7.031 1.00 0.00 C ATOM 1216 C GLU A 76 -0.784 -13.301 -6.434 1.00 0.00 C ATOM 1217 O GLU A 76 -1.744 -12.683 -6.895 1.00 0.00 O ATOM 1218 CB GLU A 76 1.600 -12.728 -5.938 1.00 0.00 C ATOM 1219 CG GLU A 76 3.024 -13.190 -6.201 1.00 0.00 C ATOM 1220 CD GLU A 76 3.194 -14.686 -6.017 1.00 0.00 C ATOM 1221 OE1 GLU A 76 3.076 -15.161 -4.869 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.446 -15.382 -7.024 1.00 0.00 O ATOM 0 H GLU A 76 0.900 -11.221 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 76 0.922 -14.097 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.591 -11.642 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.265 -13.135 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.309 -12.918 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.703 -12.665 -5.528 1.00 0.00 H new ATOM 1229 N SER A 77 -0.888 -14.136 -5.405 1.00 0.00 N ATOM 1230 CA SER A 77 -2.166 -14.383 -4.747 1.00 0.00 C ATOM 1231 C SER A 77 -2.025 -14.283 -3.231 1.00 0.00 C ATOM 1232 O SER A 77 -1.328 -15.084 -2.608 1.00 0.00 O ATOM 1233 CB SER A 77 -2.703 -15.763 -5.131 1.00 0.00 C ATOM 1234 OG SER A 77 -1.780 -16.782 -4.791 1.00 0.00 O ATOM 0 H SER A 77 -0.103 -14.653 -5.009 1.00 0.00 H new ATOM 0 HA SER A 77 -2.871 -13.621 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.651 -15.942 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.905 -15.793 -6.202 1.00 0.00 H new ATOM 0 HG SER A 77 -1.227 -16.485 -4.038 1.00 0.00 H new ATOM 1240 N MET A 78 -2.691 -13.294 -2.645 1.00 0.00 N ATOM 1241 CA MET A 78 -2.641 -13.089 -1.202 1.00 0.00 C ATOM 1242 C MET A 78 -3.965 -13.477 -0.552 1.00 0.00 C ATOM 1243 O MET A 78 -4.979 -12.806 -0.738 1.00 0.00 O ATOM 1244 CB MET A 78 -2.311 -11.629 -0.883 1.00 0.00 C ATOM 1245 CG MET A 78 -2.414 -11.292 0.595 1.00 0.00 C ATOM 1246 SD MET A 78 -2.547 -9.519 0.896 1.00 0.00 S ATOM 1247 CE MET A 78 -0.839 -9.014 0.707 1.00 0.00 C ATOM 0 H MET A 78 -3.272 -12.622 -3.147 1.00 0.00 H new ATOM 0 HA MET A 78 -1.856 -13.728 -0.797 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.300 -11.410 -1.228 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.986 -10.982 -1.443 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.284 -11.795 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.537 -11.680 1.114 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.740 -7.960 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.208 -9.612 1.365 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.528 -9.162 -0.327 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.948 -14.565 0.212 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.154 -15.023 0.878 1.00 0.00 C ATOM 1259 C GLY A 79 -6.168 -15.598 -0.091 1.00 0.00 C ATOM 1260 O GLY A 79 -6.052 -16.749 -0.513 1.00 0.00 O ATOM 0 H GLY A 79 -3.121 -15.137 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.892 -15.780 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.605 -14.191 1.420 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.167 -14.795 -0.444 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.208 -15.231 -1.369 1.00 0.00 C ATOM 1266 C HIS A 80 -8.361 -14.241 -2.520 1.00 0.00 C ATOM 1267 O HIS A 80 -9.378 -14.233 -3.213 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.540 -15.386 -0.634 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.333 -14.118 -0.557 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.590 -13.982 -1.105 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -10.041 -12.924 0.012 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -12.037 -12.759 -0.879 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -11.115 -12.097 -0.203 1.00 0.00 N ATOM 0 H HIS A 80 -7.278 -13.840 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.914 -16.197 -1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.136 -16.148 -1.136 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.348 -15.747 0.377 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.132 -12.670 0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.993 -12.367 -1.193 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.189 -11.129 0.109 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.344 -13.408 -2.716 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.367 -12.413 -3.782 1.00 0.00 C ATOM 1284 C ARG A 81 -6.015 -12.340 -4.486 1.00 0.00 C ATOM 1285 O ARG A 81 -5.041 -12.952 -4.047 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.735 -11.040 -3.218 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.157 -10.960 -2.688 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.615 -9.518 -2.537 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.260 -9.019 -3.748 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.546 -9.203 -4.026 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -12.320 -9.872 -3.183 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -12.059 -8.719 -5.149 1.00 0.00 N ATOM 0 H ARG A 81 -6.495 -13.402 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.121 -12.713 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.042 -10.789 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.604 -10.290 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.829 -11.487 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.216 -11.464 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.309 -9.444 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.758 -8.889 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.692 -8.500 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.928 -10.247 -2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.307 -10.012 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.466 -8.205 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.047 -8.861 -5.361 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.964 -11.589 -5.580 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.733 -11.439 -6.347 1.00 0.00 C ATOM 1308 C TYR A 82 -4.035 -10.126 -6.005 1.00 0.00 C ATOM 1309 O TYR A 82 -4.685 -9.129 -5.688 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.031 -11.495 -7.847 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.925 -12.884 -8.433 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.864 -13.862 -8.129 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.886 -13.219 -9.293 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.770 -15.133 -8.662 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.785 -14.487 -9.832 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.729 -15.441 -9.513 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.633 -16.705 -10.048 1.00 0.00 O ATOM 0 H TYR A 82 -6.761 -11.075 -5.956 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.069 -12.262 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.035 -11.111 -8.024 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.340 -10.835 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.682 -13.624 -7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.145 -12.475 -9.544 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.508 -15.882 -8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.971 -14.730 -10.499 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.844 -16.756 -10.627 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.708 -10.134 -6.074 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.921 -8.944 -5.773 1.00 0.00 C ATOM 1329 C ILE A 83 -1.031 -8.562 -6.951 1.00 0.00 C ATOM 1330 O ILE A 83 -0.425 -9.423 -7.588 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.042 -9.151 -4.526 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.857 -9.793 -3.401 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.452 -7.825 -4.068 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.105 -9.018 -3.040 1.00 0.00 C ATOM 0 H ILE A 83 -2.155 -10.951 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.629 -8.138 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.223 -9.822 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.140 -10.803 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.228 -9.886 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.167 -7.988 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.158 -7.403 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.258 -7.133 -3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.632 -9.532 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.829 -8.016 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.754 -8.947 -3.913 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.956 -7.265 -7.233 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.139 -6.769 -8.334 1.00 0.00 C ATOM 1348 C GLU A 84 0.920 -5.793 -7.829 1.00 0.00 C ATOM 1349 O GLU A 84 0.602 -4.687 -7.390 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.017 -6.087 -9.384 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.023 -7.022 -10.036 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.986 -6.294 -10.954 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.518 -5.488 -11.785 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.207 -6.529 -10.840 1.00 0.00 O ATOM 0 H GLU A 84 -1.451 -6.539 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 84 0.365 -7.621 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.552 -5.260 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.379 -5.658 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.490 -7.784 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.587 -7.540 -9.261 1.00 0.00 H new ATOM 1361 N VAL A 85 2.180 -6.210 -7.893 1.00 0.00 N ATOM 1362 CA VAL A 85 3.286 -5.374 -7.443 1.00 0.00 C ATOM 1363 C VAL A 85 3.611 -4.294 -8.469 1.00 0.00 C ATOM 1364 O VAL A 85 3.582 -4.539 -9.675 1.00 0.00 O ATOM 1365 CB VAL A 85 4.552 -6.211 -7.178 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.683 -5.326 -6.678 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.255 -7.323 -6.183 1.00 0.00 C ATOM 0 H VAL A 85 2.460 -7.122 -8.252 1.00 0.00 H new ATOM 0 HA VAL A 85 2.969 -4.904 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 85 4.868 -6.667 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.569 -5.935 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.911 -4.569 -7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.381 -4.839 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.160 -7.905 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.914 -6.889 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.478 -7.973 -6.585 1.00 0.00 H new ATOM 1377 N PHE A 86 3.921 -3.097 -7.982 1.00 0.00 N ATOM 1378 CA PHE A 86 4.251 -1.977 -8.857 1.00 0.00 C ATOM 1379 C PHE A 86 5.532 -1.287 -8.396 1.00 0.00 C ATOM 1380 O PHE A 86 5.660 -0.902 -7.234 1.00 0.00 O ATOM 1381 CB PHE A 86 3.099 -0.971 -8.890 1.00 0.00 C ATOM 1382 CG PHE A 86 1.868 -1.492 -9.574 1.00 0.00 C ATOM 1383 CD1 PHE A 86 1.967 -2.223 -10.747 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.610 -1.251 -9.044 1.00 0.00 C ATOM 1385 CE1 PHE A 86 0.836 -2.704 -11.379 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.524 -1.731 -9.671 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.411 -2.457 -10.841 1.00 0.00 C ATOM 0 H PHE A 86 3.951 -2.877 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 86 4.411 -2.368 -9.862 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.845 -0.688 -7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.432 -0.066 -9.398 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.940 -2.419 -11.173 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.515 -0.682 -8.131 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.928 -3.272 -12.293 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.498 -1.539 -9.247 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.297 -2.831 -11.334 1.00 0.00 H new ATOM 1397 N LYS A 87 6.477 -1.133 -9.317 1.00 0.00 N ATOM 1398 CA LYS A 87 7.748 -0.488 -9.008 1.00 0.00 C ATOM 1399 C LYS A 87 7.565 1.014 -8.819 1.00 0.00 C ATOM 1400 O LYS A 87 7.207 1.728 -9.755 1.00 0.00 O ATOM 1401 CB LYS A 87 8.762 -0.752 -10.123 1.00 0.00 C ATOM 1402 CG LYS A 87 10.205 -0.740 -9.650 1.00 0.00 C ATOM 1403 CD LYS A 87 10.681 0.671 -9.348 1.00 0.00 C ATOM 1404 CE LYS A 87 12.193 0.728 -9.196 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.731 2.083 -9.503 1.00 0.00 N ATOM 0 H LYS A 87 6.387 -1.446 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 87 8.123 -0.911 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.546 -1.719 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.638 0.001 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.301 -1.356 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.843 -1.185 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.369 1.341 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.208 1.028 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.466 0.451 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.653 -0.004 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.765 2.080 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.492 2.337 -10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.312 2.778 -8.853 1.00 0.00 H new ATOM 1419 N SER A 88 7.814 1.488 -7.602 1.00 0.00 N ATOM 1420 CA SER A 88 7.674 2.905 -7.290 1.00 0.00 C ATOM 1421 C SER A 88 8.771 3.362 -6.333 1.00 0.00 C ATOM 1422 O SER A 88 9.410 2.546 -5.668 1.00 0.00 O ATOM 1423 CB SER A 88 6.299 3.180 -6.676 1.00 0.00 C ATOM 1424 OG SER A 88 5.864 4.496 -6.970 1.00 0.00 O ATOM 0 H SER A 88 8.114 0.911 -6.816 1.00 0.00 H new ATOM 0 HA SER A 88 7.769 3.467 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.576 2.460 -7.059 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.345 3.042 -5.596 1.00 0.00 H new ATOM 0 HG SER A 88 4.892 4.551 -6.861 1.00 0.00 H new ATOM 1430 N HIS A 89 8.984 4.673 -6.270 1.00 0.00 N ATOM 1431 CA HIS A 89 10.004 5.240 -5.395 1.00 0.00 C ATOM 1432 C HIS A 89 9.379 5.783 -4.113 1.00 0.00 C ATOM 1433 O HIS A 89 8.180 5.627 -3.881 1.00 0.00 O ATOM 1434 CB HIS A 89 10.764 6.352 -6.117 1.00 0.00 C ATOM 1435 CG HIS A 89 9.874 7.308 -6.850 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.700 8.621 -6.465 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.107 7.136 -7.951 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.863 9.214 -7.297 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.489 8.335 -8.209 1.00 0.00 N ATOM 0 H HIS A 89 8.464 5.362 -6.814 1.00 0.00 H new ATOM 0 HA HIS A 89 10.703 4.446 -5.130 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.358 6.906 -5.390 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.462 5.904 -6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.000 6.225 -8.521 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.539 10.243 -7.241 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.846 8.517 -8.980 1.00 0.00 H new ATOM 1448 N ARG A 90 10.199 6.421 -3.285 1.00 0.00 N ATOM 1449 CA ARG A 90 9.727 6.986 -2.027 1.00 0.00 C ATOM 1450 C ARG A 90 8.973 8.291 -2.265 1.00 0.00 C ATOM 1451 O ARG A 90 7.775 8.386 -2.000 1.00 0.00 O ATOM 1452 CB ARG A 90 10.903 7.229 -1.079 1.00 0.00 C ATOM 1453 CG ARG A 90 10.496 7.345 0.381 1.00 0.00 C ATOM 1454 CD ARG A 90 10.071 8.763 0.729 1.00 0.00 C ATOM 1455 NE ARG A 90 10.249 9.054 2.149 1.00 0.00 N ATOM 1456 CZ ARG A 90 11.413 9.403 2.688 1.00 0.00 C ATOM 1457 NH1 ARG A 90 12.495 9.504 1.928 1.00 0.00 N ATOM 1458 NH2 ARG A 90 11.495 9.652 3.988 1.00 0.00 N ATOM 0 H ARG A 90 11.194 6.560 -3.463 1.00 0.00 H new ATOM 0 HA ARG A 90 9.043 6.270 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.618 6.413 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.416 8.143 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.676 6.657 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.329 7.047 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.652 9.471 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.025 8.905 0.458 1.00 0.00 H new ATOM 0 HE ARG A 90 9.436 8.986 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.435 9.314 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.387 9.772 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.664 9.576 4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.389 9.920 4.401 1.00 0.00 H new ATOM 1472 N THR A 91 9.685 9.296 -2.767 1.00 0.00 N ATOM 1473 CA THR A 91 9.085 10.596 -3.039 1.00 0.00 C ATOM 1474 C THR A 91 7.637 10.449 -3.493 1.00 0.00 C ATOM 1475 O THR A 91 6.751 11.154 -3.012 1.00 0.00 O ATOM 1476 CB THR A 91 9.873 11.364 -4.116 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.260 11.419 -3.762 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.330 12.775 -4.282 1.00 0.00 C ATOM 0 H THR A 91 10.678 9.234 -2.993 1.00 0.00 H new ATOM 0 HA THR A 91 9.115 11.159 -2.106 1.00 0.00 H new ATOM 0 HB THR A 91 9.761 10.836 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.755 11.907 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.903 13.298 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.283 12.729 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.415 13.311 -3.337 1.00 0.00 H new ATOM 1486 N GLU A 92 7.404 9.527 -4.423 1.00 0.00 N ATOM 1487 CA GLU A 92 6.062 9.288 -4.941 1.00 0.00 C ATOM 1488 C GLU A 92 5.126 8.817 -3.832 1.00 0.00 C ATOM 1489 O GLU A 92 4.046 9.374 -3.639 1.00 0.00 O ATOM 1490 CB GLU A 92 6.103 8.250 -6.065 1.00 0.00 C ATOM 1491 CG GLU A 92 4.728 7.783 -6.512 1.00 0.00 C ATOM 1492 CD GLU A 92 4.154 8.638 -7.625 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.946 9.240 -8.380 1.00 0.00 O ATOM 1494 OE2 GLU A 92 2.912 8.704 -7.742 1.00 0.00 O ATOM 0 H GLU A 92 8.126 8.934 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 92 5.681 10.229 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.630 8.674 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.680 7.387 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.792 6.749 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.048 7.799 -5.660 1.00 0.00 H new ATOM 1501 N MET A 93 5.549 7.786 -3.107 1.00 0.00 N ATOM 1502 CA MET A 93 4.749 7.240 -2.017 1.00 0.00 C ATOM 1503 C MET A 93 4.482 8.301 -0.954 1.00 0.00 C ATOM 1504 O MET A 93 3.552 8.174 -0.157 1.00 0.00 O ATOM 1505 CB MET A 93 5.457 6.038 -1.389 1.00 0.00 C ATOM 1506 CG MET A 93 4.754 5.495 -0.155 1.00 0.00 C ATOM 1507 SD MET A 93 5.773 4.328 0.767 1.00 0.00 S ATOM 1508 CE MET A 93 7.018 5.424 1.442 1.00 0.00 C ATOM 0 H MET A 93 6.440 7.313 -3.255 1.00 0.00 H new ATOM 0 HA MET A 93 3.793 6.915 -2.428 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.535 5.244 -2.132 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.474 6.325 -1.121 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.479 6.325 0.496 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.828 5.005 -0.455 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.994 5.163 1.032 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.778 6.454 1.178 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.041 5.324 2.527 1.00 0.00 H new ATOM 1518 N ASP A 94 5.303 9.345 -0.948 1.00 0.00 N ATOM 1519 CA ASP A 94 5.155 10.428 0.017 1.00 0.00 C ATOM 1520 C ASP A 94 3.937 11.286 -0.312 1.00 0.00 C ATOM 1521 O ASP A 94 3.105 11.558 0.555 1.00 0.00 O ATOM 1522 CB ASP A 94 6.414 11.296 0.039 1.00 0.00 C ATOM 1523 CG ASP A 94 6.662 11.922 1.397 1.00 0.00 C ATOM 1524 OD1 ASP A 94 5.684 12.369 2.032 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.835 11.965 1.825 1.00 0.00 O ATOM 0 H ASP A 94 6.078 9.464 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 94 5.011 9.986 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.275 10.689 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.322 12.083 -0.709 1.00 0.00 H new ATOM 1530 N TRP A 95 3.839 11.709 -1.567 1.00 0.00 N ATOM 1531 CA TRP A 95 2.722 12.537 -2.009 1.00 0.00 C ATOM 1532 C TRP A 95 1.424 11.739 -2.020 1.00 0.00 C ATOM 1533 O TRP A 95 0.407 12.180 -1.483 1.00 0.00 O ATOM 1534 CB TRP A 95 3.001 13.102 -3.403 1.00 0.00 C ATOM 1535 CG TRP A 95 2.417 12.273 -4.507 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.104 11.553 -5.442 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.027 12.081 -4.791 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.225 10.925 -6.291 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.944 11.232 -5.912 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.156 12.541 -4.206 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.274 10.837 -6.458 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.364 12.149 -4.750 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.416 11.303 -5.866 1.00 0.00 C ATOM 0 H TRP A 95 4.519 11.493 -2.296 1.00 0.00 H new ATOM 0 HA TRP A 95 2.612 13.362 -1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.598 14.113 -3.465 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.079 13.179 -3.547 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.180 11.487 -5.505 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.484 10.327 -7.076 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.126 13.191 -3.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.316 10.186 -7.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.284 12.501 -4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.376 11.013 -6.267 1.00 0.00 H new ATOM 1554 N VAL A 96 1.463 10.561 -2.635 1.00 0.00 N ATOM 1555 CA VAL A 96 0.289 9.701 -2.715 1.00 0.00 C ATOM 1556 C VAL A 96 -0.358 9.525 -1.346 1.00 0.00 C ATOM 1557 O VAL A 96 -1.575 9.368 -1.237 1.00 0.00 O ATOM 1558 CB VAL A 96 0.646 8.315 -3.284 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.382 8.454 -4.608 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.477 7.527 -2.283 1.00 0.00 C ATOM 0 H VAL A 96 2.296 10.181 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.416 10.190 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.279 7.767 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.626 7.464 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.748 8.977 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.301 9.021 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.720 6.550 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.398 8.069 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.909 7.396 -1.362 1.00 0.00 H new ATOM 1570 N LEU A 97 0.463 9.553 -0.302 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.028 9.397 1.063 1.00 0.00 C ATOM 1572 C LEU A 97 -0.604 10.709 1.587 1.00 0.00 C ATOM 1573 O LEU A 97 -1.789 10.795 1.909 1.00 0.00 O ATOM 1574 CB LEU A 97 1.099 8.919 1.980 1.00 0.00 C ATOM 1575 CG LEU A 97 1.540 7.466 1.800 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.824 7.198 2.569 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.439 6.515 2.248 1.00 0.00 C ATOM 0 H LEU A 97 1.472 9.682 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.822 8.650 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.965 9.562 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.782 9.056 3.014 1.00 0.00 H new ATOM 0 HG LEU A 97 1.733 7.294 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.122 6.159 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.612 7.854 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.659 7.388 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.770 5.485 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.214 6.689 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.457 6.689 1.652 1.00 0.00 H new