USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=16 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 USER MOD Single : A 14 LYS NZ :NH3+ -129:sc= 0.0978 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -79:sc= -1.06 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.9!) USER MOD Single : A 29 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0062) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -101:sc= -1.16 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.65! C(o=-9.6!,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=-0.0076) 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+ -145:sc= -0.155 (180deg=-1.45) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 45:sc= 0.596 USER MOD Single : A 78 MET CE :methyl -168:sc= -0.769 (180deg=-0.891) USER MOD Single : A 80 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.96) 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 148:sc= 0.148 USER MOD Single : A 89 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-3.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -112:sc= -0.335 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.062 2.749 -2.023 1.00 0.00 N ATOM 192 CA TYR A 11 13.450 1.502 -2.466 1.00 0.00 C ATOM 193 C TYR A 11 12.020 1.383 -1.949 1.00 0.00 C ATOM 194 O TYR A 11 11.793 1.205 -0.752 1.00 0.00 O ATOM 195 CB TYR A 11 14.278 0.307 -1.990 1.00 0.00 C ATOM 196 CG TYR A 11 15.752 0.428 -2.304 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.209 0.391 -3.616 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.689 0.578 -1.289 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.555 0.501 -3.907 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.036 0.690 -1.571 1.00 0.00 C ATOM 201 CZ TYR A 11 18.464 0.650 -2.882 1.00 0.00 C ATOM 202 OH TYR A 11 19.806 0.760 -3.167 1.00 0.00 O ATOM 0 HA TYR A 11 13.423 1.506 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.153 0.195 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.890 -0.601 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.500 0.274 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.358 0.608 -0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.893 0.470 -4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.751 0.808 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 11 20.310 0.860 -2.333 1.00 0.00 H new ATOM 212 N VAL A 12 11.058 1.481 -2.861 1.00 0.00 N ATOM 213 CA VAL A 12 9.649 1.383 -2.499 1.00 0.00 C ATOM 214 C VAL A 12 8.864 0.609 -3.552 1.00 0.00 C ATOM 215 O VAL A 12 9.234 0.587 -4.726 1.00 0.00 O ATOM 216 CB VAL A 12 9.016 2.776 -2.323 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.544 2.652 -1.961 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.768 3.573 -1.268 1.00 0.00 C ATOM 0 H VAL A 12 11.229 1.628 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 12 9.602 0.849 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 12 9.088 3.311 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.114 3.646 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.017 2.122 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.444 2.098 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.307 4.555 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.729 3.044 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.807 3.693 -1.574 1.00 0.00 H new ATOM 228 N VAL A 13 7.776 -0.025 -3.125 1.00 0.00 N ATOM 229 CA VAL A 13 6.937 -0.799 -4.031 1.00 0.00 C ATOM 230 C VAL A 13 5.458 -0.570 -3.741 1.00 0.00 C ATOM 231 O VAL A 13 5.060 -0.393 -2.589 1.00 0.00 O ATOM 232 CB VAL A 13 7.241 -2.305 -3.929 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.647 -2.601 -4.430 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.064 -2.789 -2.498 1.00 0.00 C ATOM 0 H VAL A 13 7.455 -0.017 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 13 7.164 -0.458 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 13 6.535 -2.844 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.844 -3.670 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.735 -2.293 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.371 -2.053 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.283 -3.855 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.745 -2.246 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.037 -2.613 -2.179 1.00 0.00 H new ATOM 244 N LYS A 14 4.646 -0.575 -4.793 1.00 0.00 N ATOM 245 CA LYS A 14 3.210 -0.369 -4.653 1.00 0.00 C ATOM 246 C LYS A 14 2.447 -1.665 -4.908 1.00 0.00 C ATOM 247 O LYS A 14 2.643 -2.321 -5.932 1.00 0.00 O ATOM 248 CB LYS A 14 2.732 0.715 -5.621 1.00 0.00 C ATOM 249 CG LYS A 14 1.236 0.680 -5.883 1.00 0.00 C ATOM 250 CD LYS A 14 0.851 1.591 -7.037 1.00 0.00 C ATOM 251 CE LYS A 14 0.568 3.007 -6.559 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.287 3.756 -7.521 1.00 0.00 N ATOM 0 H LYS A 14 4.959 -0.720 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 14 3.013 -0.047 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.999 1.692 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.261 0.604 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.929 -0.342 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.701 0.984 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.655 1.608 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.031 1.192 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.076 2.971 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.509 3.538 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.155 4.672 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.390 3.204 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.225 3.916 -7.101 1.00 0.00 H new ATOM 266 N LEU A 15 1.577 -2.029 -3.972 1.00 0.00 N ATOM 267 CA LEU A 15 0.784 -3.247 -4.097 1.00 0.00 C ATOM 268 C LEU A 15 -0.677 -2.917 -4.385 1.00 0.00 C ATOM 269 O LEU A 15 -1.327 -2.208 -3.616 1.00 0.00 O ATOM 270 CB LEU A 15 0.888 -4.080 -2.818 1.00 0.00 C ATOM 271 CG LEU A 15 2.275 -4.635 -2.490 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.294 -5.233 -1.092 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.691 -5.674 -3.522 1.00 0.00 C ATOM 0 H LEU A 15 1.403 -1.498 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 15 1.179 -3.825 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.557 -3.466 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.193 -4.916 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 15 2.991 -3.813 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.289 -5.623 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.040 -4.463 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.567 -6.043 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.680 -6.058 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.973 -6.494 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.718 -5.215 -4.510 1.00 0.00 H new ATOM 285 N ARG A 16 -1.188 -3.438 -5.495 1.00 0.00 N ATOM 286 CA ARG A 16 -2.573 -3.200 -5.884 1.00 0.00 C ATOM 287 C ARG A 16 -3.389 -4.487 -5.806 1.00 0.00 C ATOM 288 O ARG A 16 -2.836 -5.586 -5.819 1.00 0.00 O ATOM 289 CB ARG A 16 -2.636 -2.629 -7.302 1.00 0.00 C ATOM 290 CG ARG A 16 -3.826 -1.713 -7.537 1.00 0.00 C ATOM 291 CD ARG A 16 -4.028 -1.432 -9.018 1.00 0.00 C ATOM 292 NE ARG A 16 -4.885 -2.430 -9.652 1.00 0.00 N ATOM 293 CZ ARG A 16 -6.211 -2.423 -9.564 1.00 0.00 C ATOM 294 NH1 ARG A 16 -6.828 -1.475 -8.873 1.00 0.00 N ATOM 295 NH2 ARG A 16 -6.922 -3.365 -10.170 1.00 0.00 N ATOM 0 H ARG A 16 -0.664 -4.028 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.000 -2.477 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.718 -2.077 -7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.676 -3.453 -8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.726 -2.171 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.675 -0.774 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.470 -0.443 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.060 -1.414 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.442 -3.173 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.285 -0.748 -8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.846 -1.472 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.451 -4.095 -10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.940 -3.359 -10.102 1.00 0.00 H new ATOM 309 N GLY A 17 -4.708 -4.342 -5.724 1.00 0.00 N ATOM 310 CA GLY A 17 -5.578 -5.501 -5.644 1.00 0.00 C ATOM 311 C GLY A 17 -5.630 -6.092 -4.249 1.00 0.00 C ATOM 312 O GLY A 17 -5.953 -7.268 -4.076 1.00 0.00 O ATOM 0 H GLY A 17 -5.190 -3.443 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.584 -5.218 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.231 -6.261 -6.344 1.00 0.00 H new ATOM 316 N LEU A 18 -5.310 -5.276 -3.250 1.00 0.00 N ATOM 317 CA LEU A 18 -5.320 -5.725 -1.862 1.00 0.00 C ATOM 318 C LEU A 18 -6.737 -5.717 -1.298 1.00 0.00 C ATOM 319 O LEU A 18 -7.558 -4.861 -1.628 1.00 0.00 O ATOM 320 CB LEU A 18 -4.414 -4.833 -1.011 1.00 0.00 C ATOM 321 CG LEU A 18 -2.929 -4.842 -1.375 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.224 -3.639 -0.768 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.275 -6.136 -0.912 1.00 0.00 C ATOM 0 H LEU A 18 -5.041 -4.300 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.943 -6.747 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.778 -3.808 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.514 -5.137 0.031 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.839 -4.781 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.168 -3.662 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.676 -2.723 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.322 -3.669 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.218 -6.126 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.375 -6.227 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.763 -6.983 -1.394 1.00 0.00 H new ATOM 335 N PRO A 19 -7.031 -6.692 -0.425 1.00 0.00 N ATOM 336 CA PRO A 19 -8.348 -6.817 0.207 1.00 0.00 C ATOM 337 C PRO A 19 -8.619 -5.702 1.210 1.00 0.00 C ATOM 338 O PRO A 19 -7.693 -5.158 1.812 1.00 0.00 O ATOM 339 CB PRO A 19 -8.273 -8.170 0.918 1.00 0.00 C ATOM 340 CG PRO A 19 -6.820 -8.386 1.169 1.00 0.00 C ATOM 341 CD PRO A 19 -6.101 -7.746 0.014 1.00 0.00 C ATOM 0 HA PRO A 19 -9.157 -6.746 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.838 -8.159 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.691 -8.965 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.516 -7.937 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.589 -9.449 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.140 -7.332 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.902 -8.463 -0.782 1.00 0.00 H new ATOM 349 N TRP A 20 -9.892 -5.366 1.386 1.00 0.00 N ATOM 350 CA TRP A 20 -10.284 -4.315 2.318 1.00 0.00 C ATOM 351 C TRP A 20 -9.907 -4.687 3.748 1.00 0.00 C ATOM 352 O TRP A 20 -10.028 -3.873 4.663 1.00 0.00 O ATOM 353 CB TRP A 20 -11.788 -4.057 2.225 1.00 0.00 C ATOM 354 CG TRP A 20 -12.169 -3.170 1.078 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.422 -2.902 -0.034 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.388 -2.434 0.932 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.104 -2.043 -0.862 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.313 -1.742 -0.293 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.537 -2.293 1.715 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.342 -0.923 -0.749 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.557 -1.479 1.261 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.455 -0.803 0.038 1.00 0.00 C ATOM 0 H TRP A 20 -10.670 -5.806 0.895 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.749 -3.405 2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.307 -5.010 2.126 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.130 -3.603 3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.440 -3.306 -0.233 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.765 -1.687 -1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.626 -2.811 2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.265 -0.401 -1.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.448 -1.362 1.859 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.270 -0.175 -0.290 1.00 0.00 H new ATOM 373 N SER A 21 -9.449 -5.921 3.933 1.00 0.00 N ATOM 374 CA SER A 21 -9.058 -6.402 5.253 1.00 0.00 C ATOM 375 C SER A 21 -7.552 -6.638 5.321 1.00 0.00 C ATOM 376 O SER A 21 -7.052 -7.258 6.260 1.00 0.00 O ATOM 377 CB SER A 21 -9.804 -7.694 5.590 1.00 0.00 C ATOM 378 OG SER A 21 -9.389 -8.757 4.749 1.00 0.00 O ATOM 0 H SER A 21 -9.340 -6.606 3.185 1.00 0.00 H new ATOM 0 HA SER A 21 -9.322 -5.638 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.625 -7.960 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.877 -7.537 5.480 1.00 0.00 H new ATOM 0 HG SER A 21 -9.879 -9.572 4.986 1.00 0.00 H new ATOM 384 N CYS A 22 -6.836 -6.139 4.319 1.00 0.00 N ATOM 385 CA CYS A 22 -5.387 -6.295 4.263 1.00 0.00 C ATOM 386 C CYS A 22 -4.715 -5.550 5.412 1.00 0.00 C ATOM 387 O CYS A 22 -4.988 -4.373 5.645 1.00 0.00 O ATOM 388 CB CYS A 22 -4.849 -5.786 2.925 1.00 0.00 C ATOM 389 SG CYS A 22 -3.083 -6.084 2.678 1.00 0.00 S ATOM 0 H CYS A 22 -7.235 -5.623 3.535 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.157 -7.356 4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.404 -6.264 2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.039 -4.715 2.853 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.397 -5.197 3.336 1.00 0.00 H new ATOM 395 N SER A 23 -3.836 -6.245 6.128 1.00 0.00 N ATOM 396 CA SER A 23 -3.129 -5.651 7.256 1.00 0.00 C ATOM 397 C SER A 23 -1.619 -5.737 7.057 1.00 0.00 C ATOM 398 O SER A 23 -1.122 -6.637 6.379 1.00 0.00 O ATOM 399 CB SER A 23 -3.525 -6.349 8.558 1.00 0.00 C ATOM 400 OG SER A 23 -4.857 -6.032 8.924 1.00 0.00 O ATOM 0 H SER A 23 -3.597 -7.220 5.946 1.00 0.00 H new ATOM 0 HA SER A 23 -3.410 -4.600 7.317 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.424 -7.428 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.845 -6.050 9.356 1.00 0.00 H new ATOM 0 HG SER A 23 -5.085 -6.492 9.758 1.00 0.00 H new ATOM 406 N ILE A 24 -0.895 -4.796 7.654 1.00 0.00 N ATOM 407 CA ILE A 24 0.558 -4.766 7.544 1.00 0.00 C ATOM 408 C ILE A 24 1.138 -6.177 7.537 1.00 0.00 C ATOM 409 O ILE A 24 1.991 -6.503 6.712 1.00 0.00 O ATOM 410 CB ILE A 24 1.193 -3.968 8.697 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.772 -2.499 8.623 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.709 -4.092 8.656 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.159 -1.697 9.846 1.00 0.00 C ATOM 0 H ILE A 24 -1.291 -4.045 8.219 1.00 0.00 H new ATOM 0 HA ILE A 24 0.793 -4.274 6.600 1.00 0.00 H new ATOM 0 HB ILE A 24 0.839 -4.381 9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.224 -2.044 7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.309 -2.445 8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.143 -3.522 9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.991 -5.140 8.753 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.080 -3.702 7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.829 -0.665 9.724 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.685 -2.127 10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.242 -1.720 9.968 1.00 0.00 H new ATOM 425 N GLU A 25 0.667 -7.009 8.460 1.00 0.00 N ATOM 426 CA GLU A 25 1.138 -8.385 8.559 1.00 0.00 C ATOM 427 C GLU A 25 1.092 -9.075 7.198 1.00 0.00 C ATOM 428 O GLU A 25 2.096 -9.613 6.729 1.00 0.00 O ATOM 429 CB GLU A 25 0.294 -9.166 9.567 1.00 0.00 C ATOM 430 CG GLU A 25 0.678 -8.906 11.014 1.00 0.00 C ATOM 431 CD GLU A 25 -0.049 -7.714 11.605 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.180 -7.427 11.159 1.00 0.00 O ATOM 433 OE2 GLU A 25 0.513 -7.068 12.515 1.00 0.00 O ATOM 0 H GLU A 25 -0.040 -6.754 9.150 1.00 0.00 H new ATOM 0 HA GLU A 25 2.172 -8.364 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.756 -8.908 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.390 -10.232 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.458 -9.792 11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.753 -8.739 11.076 1.00 0.00 H new ATOM 440 N ASP A 26 -0.078 -9.055 6.571 1.00 0.00 N ATOM 441 CA ASP A 26 -0.256 -9.678 5.264 1.00 0.00 C ATOM 442 C ASP A 26 0.781 -9.163 4.271 1.00 0.00 C ATOM 443 O ASP A 26 1.270 -9.911 3.425 1.00 0.00 O ATOM 444 CB ASP A 26 -1.666 -9.408 4.735 1.00 0.00 C ATOM 445 CG ASP A 26 -2.679 -10.412 5.249 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.524 -10.876 6.398 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.628 -10.732 4.503 1.00 0.00 O ATOM 0 H ASP A 26 -0.918 -8.614 6.946 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.119 -10.753 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.974 -8.404 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.653 -9.434 3.645 1.00 0.00 H new ATOM 452 N VAL A 27 1.110 -7.880 4.380 1.00 0.00 N ATOM 453 CA VAL A 27 2.089 -7.264 3.491 1.00 0.00 C ATOM 454 C VAL A 27 3.500 -7.745 3.811 1.00 0.00 C ATOM 455 O VAL A 27 4.264 -8.098 2.913 1.00 0.00 O ATOM 456 CB VAL A 27 2.047 -5.728 3.589 1.00 0.00 C ATOM 457 CG1 VAL A 27 3.036 -5.104 2.616 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.638 -5.216 3.331 1.00 0.00 C ATOM 0 H VAL A 27 0.714 -7.247 5.075 1.00 0.00 H new ATOM 0 HA VAL A 27 1.828 -7.563 2.476 1.00 0.00 H new ATOM 0 HB VAL A 27 2.335 -5.438 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.992 -4.018 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.044 -5.446 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.782 -5.400 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.627 -4.129 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.319 -5.516 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.043 -5.636 4.071 1.00 0.00 H new ATOM 468 N GLN A 28 3.839 -7.755 5.096 1.00 0.00 N ATOM 469 CA GLN A 28 5.159 -8.192 5.535 1.00 0.00 C ATOM 470 C GLN A 28 5.443 -9.617 5.070 1.00 0.00 C ATOM 471 O GLN A 28 6.511 -9.903 4.530 1.00 0.00 O ATOM 472 CB GLN A 28 5.267 -8.109 7.058 1.00 0.00 C ATOM 473 CG GLN A 28 5.148 -6.694 7.601 1.00 0.00 C ATOM 474 CD GLN A 28 5.235 -6.639 9.113 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.227 -6.766 9.809 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.443 -6.451 9.631 1.00 0.00 N ATOM 0 H GLN A 28 3.218 -7.465 5.851 1.00 0.00 H new ATOM 0 HA GLN A 28 5.900 -7.529 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.487 -8.727 7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.223 -8.529 7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.938 -6.077 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.199 -6.264 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.251 -6.351 9.017 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.563 -6.407 10.643 1.00 0.00 H new ATOM 485 N ASN A 29 4.479 -10.507 5.283 1.00 0.00 N ATOM 486 CA ASN A 29 4.626 -11.903 4.887 1.00 0.00 C ATOM 487 C ASN A 29 4.621 -12.040 3.368 1.00 0.00 C ATOM 488 O ASN A 29 5.390 -12.817 2.801 1.00 0.00 O ATOM 489 CB ASN A 29 3.502 -12.747 5.490 1.00 0.00 C ATOM 490 CG ASN A 29 3.656 -12.930 6.988 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.135 -13.965 7.452 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.249 -11.923 7.752 1.00 0.00 N ATOM 0 H ASN A 29 3.588 -10.286 5.728 1.00 0.00 H new ATOM 0 HA ASN A 29 5.583 -12.263 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.543 -12.273 5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.486 -13.724 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.327 -11.989 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.858 -11.084 7.324 1.00 0.00 H new ATOM 499 N PHE A 30 3.750 -11.280 2.713 1.00 0.00 N ATOM 500 CA PHE A 30 3.644 -11.316 1.259 1.00 0.00 C ATOM 501 C PHE A 30 4.989 -11.007 0.608 1.00 0.00 C ATOM 502 O PHE A 30 5.432 -11.717 -0.296 1.00 0.00 O ATOM 503 CB PHE A 30 2.590 -10.317 0.778 1.00 0.00 C ATOM 504 CG PHE A 30 2.487 -10.228 -0.718 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.490 -9.625 -1.460 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.388 -10.747 -1.382 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.398 -9.542 -2.836 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.290 -10.666 -2.759 1.00 0.00 C ATOM 509 CZ PHE A 30 2.297 -10.064 -3.487 1.00 0.00 C ATOM 0 H PHE A 30 3.107 -10.631 3.166 1.00 0.00 H new ATOM 0 HA PHE A 30 3.341 -12.321 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.619 -10.601 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.827 -9.331 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.353 -9.215 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.598 -11.221 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.187 -9.069 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.427 -11.073 -3.264 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.224 -10.001 -4.563 1.00 0.00 H new ATOM 519 N LEU A 31 5.634 -9.943 1.073 1.00 0.00 N ATOM 520 CA LEU A 31 6.929 -9.538 0.537 1.00 0.00 C ATOM 521 C LEU A 31 8.068 -10.109 1.376 1.00 0.00 C ATOM 522 O LEU A 31 9.081 -9.446 1.599 1.00 0.00 O ATOM 523 CB LEU A 31 7.029 -8.013 0.491 1.00 0.00 C ATOM 524 CG LEU A 31 6.055 -7.304 -0.451 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.249 -5.797 -0.385 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.234 -7.805 -1.877 1.00 0.00 C ATOM 0 H LEU A 31 5.281 -9.345 1.820 1.00 0.00 H new ATOM 0 HA LEU A 31 7.015 -9.932 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.873 -7.628 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.045 -7.744 0.201 1.00 0.00 H new ATOM 0 HG LEU A 31 5.038 -7.532 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.547 -5.310 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.070 -5.451 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.269 -5.548 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.533 -7.290 -2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.254 -7.607 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.043 -8.878 -1.912 1.00 0.00 H new ATOM 538 N SER A 32 7.896 -11.344 1.836 1.00 0.00 N ATOM 539 CA SER A 32 8.909 -12.004 2.651 1.00 0.00 C ATOM 540 C SER A 32 10.261 -12.002 1.944 1.00 0.00 C ATOM 541 O SER A 32 11.262 -11.546 2.497 1.00 0.00 O ATOM 542 CB SER A 32 8.486 -13.441 2.963 1.00 0.00 C ATOM 543 OG SER A 32 9.572 -14.192 3.479 1.00 0.00 O ATOM 0 H SER A 32 7.065 -11.908 1.658 1.00 0.00 H new ATOM 0 HA SER A 32 9.006 -11.450 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.669 -13.434 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.108 -13.917 2.058 1.00 0.00 H new ATOM 0 HG SER A 32 9.275 -15.106 3.672 1.00 0.00 H new ATOM 549 N ASP A 33 10.282 -12.516 0.719 1.00 0.00 N ATOM 550 CA ASP A 33 11.510 -12.574 -0.065 1.00 0.00 C ATOM 551 C ASP A 33 12.248 -11.240 -0.017 1.00 0.00 C ATOM 552 O ASP A 33 13.457 -11.179 -0.245 1.00 0.00 O ATOM 553 CB ASP A 33 11.197 -12.945 -1.515 1.00 0.00 C ATOM 554 CG ASP A 33 12.330 -13.707 -2.175 1.00 0.00 C ATOM 555 OD1 ASP A 33 13.143 -14.312 -1.445 1.00 0.00 O ATOM 556 OD2 ASP A 33 12.404 -13.698 -3.422 1.00 0.00 O ATOM 0 H ASP A 33 9.462 -12.898 0.248 1.00 0.00 H new ATOM 0 HA ASP A 33 12.153 -13.341 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.291 -13.550 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.994 -12.037 -2.083 1.00 0.00 H new ATOM 561 N CYS A 34 11.514 -10.173 0.280 1.00 0.00 N ATOM 562 CA CYS A 34 12.099 -8.839 0.357 1.00 0.00 C ATOM 563 C CYS A 34 12.330 -8.429 1.807 1.00 0.00 C ATOM 564 O CYS A 34 11.721 -8.980 2.725 1.00 0.00 O ATOM 565 CB CYS A 34 11.191 -7.821 -0.335 1.00 0.00 C ATOM 566 SG CYS A 34 10.824 -8.214 -2.062 1.00 0.00 S ATOM 0 H CYS A 34 10.513 -10.206 0.471 1.00 0.00 H new ATOM 0 HA CYS A 34 13.062 -8.862 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.254 -7.751 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.662 -6.839 -0.289 1.00 0.00 H new ATOM 0 HG CYS A 34 11.569 -7.486 -2.840 1.00 0.00 H new ATOM 572 N THR A 35 13.216 -7.458 2.009 1.00 0.00 N ATOM 573 CA THR A 35 13.531 -6.976 3.347 1.00 0.00 C ATOM 574 C THR A 35 12.950 -5.586 3.581 1.00 0.00 C ATOM 575 O THR A 35 13.619 -4.578 3.352 1.00 0.00 O ATOM 576 CB THR A 35 15.052 -6.932 3.586 1.00 0.00 C ATOM 577 OG1 THR A 35 15.621 -8.226 3.361 1.00 0.00 O ATOM 578 CG2 THR A 35 15.364 -6.474 5.003 1.00 0.00 C ATOM 0 H THR A 35 13.728 -6.990 1.261 1.00 0.00 H new ATOM 0 HA THR A 35 13.082 -7.678 4.050 1.00 0.00 H new ATOM 0 HB THR A 35 15.487 -6.218 2.886 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.588 -8.189 3.513 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.444 -6.451 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.955 -5.476 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.917 -7.167 5.716 1.00 0.00 H new ATOM 586 N ILE A 36 11.704 -5.539 4.039 1.00 0.00 N ATOM 587 CA ILE A 36 11.035 -4.272 4.305 1.00 0.00 C ATOM 588 C ILE A 36 11.807 -3.448 5.330 1.00 0.00 C ATOM 589 O ILE A 36 12.201 -3.955 6.381 1.00 0.00 O ATOM 590 CB ILE A 36 9.599 -4.490 4.816 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.756 -5.191 3.749 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.969 -3.162 5.208 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.475 -5.789 4.287 1.00 0.00 C ATOM 0 H ILE A 36 11.137 -6.364 4.234 1.00 0.00 H new ATOM 0 HA ILE A 36 10.997 -3.730 3.360 1.00 0.00 H new ATOM 0 HB ILE A 36 9.636 -5.127 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.512 -4.476 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.350 -5.980 3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.954 -3.333 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.560 -2.698 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.941 -2.503 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.929 -6.269 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.712 -6.528 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.860 -5.001 4.722 1.00 0.00 H new ATOM 605 N HIS A 37 12.020 -2.173 5.018 1.00 0.00 N ATOM 606 CA HIS A 37 12.743 -1.277 5.913 1.00 0.00 C ATOM 607 C HIS A 37 11.877 -0.887 7.107 1.00 0.00 C ATOM 608 O HIS A 37 10.782 -0.350 6.943 1.00 0.00 O ATOM 609 CB HIS A 37 13.190 -0.023 5.161 1.00 0.00 C ATOM 610 CG HIS A 37 13.454 1.149 6.055 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.711 1.472 6.522 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.614 2.080 6.566 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.632 2.548 7.284 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.370 2.937 7.326 1.00 0.00 N ATOM 0 H HIS A 37 11.702 -1.738 4.152 1.00 0.00 H new ATOM 0 HA HIS A 37 13.623 -1.804 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.095 -0.251 4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.423 0.249 4.436 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.548 2.137 6.405 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.458 3.028 7.787 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.015 3.743 7.840 1.00 0.00 H new ATOM 623 N ASP A 38 12.376 -1.161 8.307 1.00 0.00 N ATOM 624 CA ASP A 38 11.648 -0.838 9.529 1.00 0.00 C ATOM 625 C ASP A 38 10.377 -1.674 9.641 1.00 0.00 C ATOM 626 O ASP A 38 9.417 -1.277 10.300 1.00 0.00 O ATOM 627 CB ASP A 38 11.299 0.650 9.562 1.00 0.00 C ATOM 628 CG ASP A 38 12.520 1.535 9.401 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.591 1.007 9.034 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.404 2.755 9.641 1.00 0.00 O ATOM 0 H ASP A 38 13.281 -1.606 8.460 1.00 0.00 H new ATOM 0 HA ASP A 38 12.291 -1.071 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.587 0.871 8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.806 0.884 10.506 1.00 0.00 H new ATOM 635 N GLY A 39 10.378 -2.835 8.992 1.00 0.00 N ATOM 636 CA GLY A 39 9.220 -3.708 9.031 1.00 0.00 C ATOM 637 C GLY A 39 7.914 -2.938 9.034 1.00 0.00 C ATOM 638 O GLY A 39 7.698 -2.064 8.195 1.00 0.00 O ATOM 0 H GLY A 39 11.161 -3.186 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.243 -4.376 8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.271 -4.335 9.921 1.00 0.00 H new ATOM 642 N VAL A 40 7.039 -3.264 9.980 1.00 0.00 N ATOM 643 CA VAL A 40 5.747 -2.598 10.089 1.00 0.00 C ATOM 644 C VAL A 40 5.888 -1.091 9.907 1.00 0.00 C ATOM 645 O VAL A 40 4.993 -0.432 9.380 1.00 0.00 O ATOM 646 CB VAL A 40 5.083 -2.879 11.451 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.722 -4.351 11.575 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.998 -2.448 12.587 1.00 0.00 C ATOM 0 H VAL A 40 7.202 -3.986 10.682 1.00 0.00 H new ATOM 0 HA VAL A 40 5.117 -3.000 9.296 1.00 0.00 H new ATOM 0 HB VAL A 40 4.163 -2.298 11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.254 -4.531 12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.028 -4.624 10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.625 -4.955 11.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.514 -2.653 13.542 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.935 -3.001 12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.201 -1.380 12.505 1.00 0.00 H new ATOM 658 N ALA A 41 7.021 -0.551 10.346 1.00 0.00 N ATOM 659 CA ALA A 41 7.282 0.878 10.229 1.00 0.00 C ATOM 660 C ALA A 41 7.796 1.230 8.837 1.00 0.00 C ATOM 661 O ALA A 41 8.454 2.252 8.648 1.00 0.00 O ATOM 662 CB ALA A 41 8.278 1.321 11.289 1.00 0.00 C ATOM 0 H ALA A 41 7.772 -1.082 10.786 1.00 0.00 H new ATOM 0 HA ALA A 41 6.342 1.408 10.385 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.464 2.390 11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.872 1.114 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.214 0.777 11.159 1.00 0.00 H new ATOM 668 N GLY A 42 7.491 0.375 7.865 1.00 0.00 N ATOM 669 CA GLY A 42 7.931 0.614 6.503 1.00 0.00 C ATOM 670 C GLY A 42 6.806 0.476 5.497 1.00 0.00 C ATOM 671 O GLY A 42 6.931 0.909 4.351 1.00 0.00 O ATOM 0 H GLY A 42 6.948 -0.478 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.356 1.615 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.726 -0.089 6.253 1.00 0.00 H new ATOM 675 N VAL A 43 5.703 -0.131 5.925 1.00 0.00 N ATOM 676 CA VAL A 43 4.551 -0.325 5.053 1.00 0.00 C ATOM 677 C VAL A 43 3.565 0.831 5.179 1.00 0.00 C ATOM 678 O VAL A 43 3.201 1.233 6.284 1.00 0.00 O ATOM 679 CB VAL A 43 3.821 -1.644 5.373 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.637 -1.839 4.439 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.782 -2.819 5.281 1.00 0.00 C ATOM 0 H VAL A 43 5.583 -0.496 6.870 1.00 0.00 H new ATOM 0 HA VAL A 43 4.930 -0.366 4.032 1.00 0.00 H new ATOM 0 HB VAL A 43 3.443 -1.592 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.134 -2.775 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.939 -1.011 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.988 -1.871 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.250 -3.743 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.191 -2.876 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.594 -2.681 5.995 1.00 0.00 H new ATOM 691 N HIS A 44 3.137 1.363 4.038 1.00 0.00 N ATOM 692 CA HIS A 44 2.191 2.474 4.020 1.00 0.00 C ATOM 693 C HIS A 44 0.952 2.119 3.204 1.00 0.00 C ATOM 694 O HIS A 44 1.027 1.938 1.988 1.00 0.00 O ATOM 695 CB HIS A 44 2.854 3.725 3.444 1.00 0.00 C ATOM 696 CG HIS A 44 4.079 4.153 4.193 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.077 5.175 5.118 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.350 3.688 4.150 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.294 5.322 5.610 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.085 4.432 5.040 1.00 0.00 N ATOM 0 H HIS A 44 3.430 1.043 3.115 1.00 0.00 H new ATOM 0 HA HIS A 44 1.883 2.674 5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.121 3.538 2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.133 4.542 3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.717 2.882 3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.592 6.047 6.353 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.080 4.316 5.230 1.00 0.00 H new ATOM 709 N PHE A 45 -0.188 2.020 3.881 1.00 0.00 N ATOM 710 CA PHE A 45 -1.443 1.685 3.219 1.00 0.00 C ATOM 711 C PHE A 45 -2.108 2.935 2.649 1.00 0.00 C ATOM 712 O PHE A 45 -1.883 4.045 3.131 1.00 0.00 O ATOM 713 CB PHE A 45 -2.391 0.992 4.199 1.00 0.00 C ATOM 714 CG PHE A 45 -2.112 -0.475 4.367 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.161 -0.913 5.275 1.00 0.00 C ATOM 716 CD2 PHE A 45 -2.801 -1.415 3.618 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.902 -2.261 5.431 1.00 0.00 C ATOM 718 CE2 PHE A 45 -2.546 -2.765 3.771 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.596 -3.189 4.679 1.00 0.00 C ATOM 0 H PHE A 45 -0.268 2.167 4.887 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.221 1.006 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.318 1.481 5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.417 1.121 3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.616 -0.193 5.867 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.546 -1.089 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.157 -2.589 6.141 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.090 -3.488 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.396 -4.243 4.801 1.00 0.00 H new ATOM 729 N ILE A 46 -2.926 2.745 1.619 1.00 0.00 N ATOM 730 CA ILE A 46 -3.623 3.856 0.984 1.00 0.00 C ATOM 731 C ILE A 46 -5.103 3.859 1.352 1.00 0.00 C ATOM 732 O ILE A 46 -5.772 2.827 1.287 1.00 0.00 O ATOM 733 CB ILE A 46 -3.487 3.802 -0.550 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.017 3.660 -0.949 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.094 5.048 -1.179 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.197 4.905 -0.690 1.00 0.00 C ATOM 0 H ILE A 46 -3.122 1.833 1.207 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.158 4.771 1.350 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.029 2.931 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.579 2.826 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.959 3.411 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.991 4.996 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.150 5.110 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.576 5.932 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.166 4.732 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.610 5.738 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.224 5.144 0.373 1.00 0.00 H new ATOM 881 N GLY A 55 -7.115 0.135 -1.760 1.00 0.00 N ATOM 882 CA GLY A 55 -6.551 -1.086 -2.304 1.00 0.00 C ATOM 883 C GLY A 55 -5.048 -1.001 -2.483 1.00 0.00 C ATOM 884 O GLY A 55 -4.345 -2.004 -2.362 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.788 -1.919 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.017 -1.301 -3.266 1.00 0.00 H new ATOM 888 N GLU A 56 -4.554 0.198 -2.773 1.00 0.00 N ATOM 889 CA GLU A 56 -3.125 0.408 -2.972 1.00 0.00 C ATOM 890 C GLU A 56 -2.396 0.489 -1.633 1.00 0.00 C ATOM 891 O GLU A 56 -2.926 1.019 -0.657 1.00 0.00 O ATOM 892 CB GLU A 56 -2.882 1.687 -3.775 1.00 0.00 C ATOM 893 CG GLU A 56 -3.216 1.552 -5.251 1.00 0.00 C ATOM 894 CD GLU A 56 -3.613 2.872 -5.883 1.00 0.00 C ATOM 895 OE1 GLU A 56 -2.911 3.877 -5.649 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.626 2.898 -6.613 1.00 0.00 O ATOM 0 H GLU A 56 -5.122 1.039 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.733 -0.442 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.479 2.493 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.836 1.977 -3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.353 1.146 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.030 0.837 -5.372 1.00 0.00 H new ATOM 903 N ALA A 57 -1.178 -0.042 -1.596 1.00 0.00 N ATOM 904 CA ALA A 57 -0.376 -0.029 -0.380 1.00 0.00 C ATOM 905 C ALA A 57 1.114 -0.040 -0.705 1.00 0.00 C ATOM 906 O ALA A 57 1.624 -0.993 -1.295 1.00 0.00 O ATOM 907 CB ALA A 57 -0.735 -1.216 0.502 1.00 0.00 C ATOM 0 H ALA A 57 -0.726 -0.487 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.596 0.891 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.128 -1.194 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.790 -1.163 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.545 -2.143 -0.040 1.00 0.00 H new ATOM 913 N PHE A 58 1.808 1.025 -0.316 1.00 0.00 N ATOM 914 CA PHE A 58 3.240 1.138 -0.568 1.00 0.00 C ATOM 915 C PHE A 58 4.040 0.410 0.508 1.00 0.00 C ATOM 916 O PHE A 58 3.518 0.089 1.576 1.00 0.00 O ATOM 917 CB PHE A 58 3.655 2.609 -0.621 1.00 0.00 C ATOM 918 CG PHE A 58 3.137 3.335 -1.829 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.792 3.645 -1.944 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.996 3.710 -2.850 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.313 4.312 -3.056 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.523 4.378 -3.964 1.00 0.00 C ATOM 923 CZ PHE A 58 2.180 4.680 -4.066 1.00 0.00 C ATOM 0 H PHE A 58 1.402 1.822 0.175 1.00 0.00 H new ATOM 0 HA PHE A 58 3.453 0.673 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.296 3.112 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.743 2.672 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.110 3.362 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.048 3.477 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.261 4.545 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.203 4.663 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.808 5.203 -4.934 1.00 0.00 H new ATOM 933 N VAL A 59 5.311 0.151 0.218 1.00 0.00 N ATOM 934 CA VAL A 59 6.185 -0.538 1.160 1.00 0.00 C ATOM 935 C VAL A 59 7.642 -0.142 0.949 1.00 0.00 C ATOM 936 O VAL A 59 8.110 -0.043 -0.185 1.00 0.00 O ATOM 937 CB VAL A 59 6.057 -2.067 1.028 1.00 0.00 C ATOM 938 CG1 VAL A 59 7.010 -2.768 1.985 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.621 -2.504 1.278 1.00 0.00 C ATOM 0 H VAL A 59 5.758 0.408 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 59 5.871 -0.239 2.160 1.00 0.00 H new ATOM 0 HB VAL A 59 6.328 -2.350 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.905 -3.848 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.035 -2.478 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.773 -2.481 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.548 -3.587 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.321 -2.209 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.964 -2.029 0.549 1.00 0.00 H new ATOM 949 N GLU A 60 8.354 0.084 2.049 1.00 0.00 N ATOM 950 CA GLU A 60 9.758 0.470 1.984 1.00 0.00 C ATOM 951 C GLU A 60 10.665 -0.751 2.110 1.00 0.00 C ATOM 952 O GLU A 60 10.390 -1.665 2.889 1.00 0.00 O ATOM 953 CB GLU A 60 10.085 1.478 3.088 1.00 0.00 C ATOM 954 CG GLU A 60 9.723 2.910 2.732 1.00 0.00 C ATOM 955 CD GLU A 60 10.628 3.924 3.404 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.859 3.711 3.406 1.00 0.00 O ATOM 957 OE2 GLU A 60 10.106 4.930 3.927 1.00 0.00 O ATOM 0 H GLU A 60 7.981 0.006 2.995 1.00 0.00 H new ATOM 0 HA GLU A 60 9.936 0.934 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.555 1.193 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.151 1.426 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.780 3.037 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.690 3.102 3.021 1.00 0.00 H new ATOM 964 N LEU A 61 11.746 -0.760 1.339 1.00 0.00 N ATOM 965 CA LEU A 61 12.694 -1.868 1.363 1.00 0.00 C ATOM 966 C LEU A 61 14.024 -1.435 1.971 1.00 0.00 C ATOM 967 O LEU A 61 14.222 -0.260 2.279 1.00 0.00 O ATOM 968 CB LEU A 61 12.918 -2.404 -0.053 1.00 0.00 C ATOM 969 CG LEU A 61 11.663 -2.817 -0.821 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.025 -3.298 -2.217 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.905 -3.897 -0.063 1.00 0.00 C ATOM 0 H LEU A 61 11.988 -0.012 0.689 1.00 0.00 H new ATOM 0 HA LEU A 61 12.273 -2.660 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.438 -1.640 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.583 -3.266 0.007 1.00 0.00 H new ATOM 0 HG LEU A 61 11.016 -1.945 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.119 -3.588 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.523 -2.495 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.693 -4.156 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.014 -4.179 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.545 -4.770 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.612 -3.517 0.916 1.00 0.00 H new ATOM 983 N GLU A 62 14.932 -2.391 2.140 1.00 0.00 N ATOM 984 CA GLU A 62 16.243 -2.106 2.710 1.00 0.00 C ATOM 985 C GLU A 62 17.241 -1.729 1.619 1.00 0.00 C ATOM 986 O GLU A 62 17.914 -0.702 1.707 1.00 0.00 O ATOM 987 CB GLU A 62 16.758 -3.318 3.490 1.00 0.00 C ATOM 988 CG GLU A 62 18.128 -3.103 4.112 1.00 0.00 C ATOM 989 CD GLU A 62 18.052 -2.452 5.480 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.408 -3.032 6.379 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.638 -1.362 5.650 1.00 0.00 O ATOM 0 H GLU A 62 14.784 -3.369 1.890 1.00 0.00 H new ATOM 0 HA GLU A 62 16.139 -1.261 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.045 -3.563 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.802 -4.178 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.638 -4.062 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.730 -2.480 3.450 1.00 0.00 H new ATOM 998 N SER A 63 17.331 -2.567 0.592 1.00 0.00 N ATOM 999 CA SER A 63 18.249 -2.325 -0.515 1.00 0.00 C ATOM 1000 C SER A 63 17.551 -2.533 -1.856 1.00 0.00 C ATOM 1001 O SER A 63 16.368 -2.869 -1.905 1.00 0.00 O ATOM 1002 CB SER A 63 19.463 -3.250 -0.410 1.00 0.00 C ATOM 1003 OG SER A 63 20.031 -3.201 0.887 1.00 0.00 O ATOM 0 H SER A 63 16.779 -3.420 0.503 1.00 0.00 H new ATOM 0 HA SER A 63 18.584 -1.289 -0.457 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.166 -4.273 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.210 -2.960 -1.149 1.00 0.00 H new ATOM 0 HG SER A 63 20.804 -3.802 0.928 1.00 0.00 H new ATOM 1009 N GLU A 64 18.293 -2.332 -2.940 1.00 0.00 N ATOM 1010 CA GLU A 64 17.746 -2.497 -4.281 1.00 0.00 C ATOM 1011 C GLU A 64 17.233 -3.919 -4.488 1.00 0.00 C ATOM 1012 O GLU A 64 16.070 -4.126 -4.836 1.00 0.00 O ATOM 1013 CB GLU A 64 18.807 -2.167 -5.333 1.00 0.00 C ATOM 1014 CG GLU A 64 18.260 -2.100 -6.749 1.00 0.00 C ATOM 1015 CD GLU A 64 19.261 -1.531 -7.735 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.013 -0.610 -7.353 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.294 -2.007 -8.889 1.00 0.00 O ATOM 0 H GLU A 64 19.274 -2.055 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 64 16.909 -1.808 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.268 -1.211 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.594 -2.920 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.968 -3.100 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.359 -1.487 -6.758 1.00 0.00 H new ATOM 1024 N ASP A 65 18.109 -4.894 -4.274 1.00 0.00 N ATOM 1025 CA ASP A 65 17.746 -6.297 -4.436 1.00 0.00 C ATOM 1026 C ASP A 65 16.290 -6.531 -4.045 1.00 0.00 C ATOM 1027 O ASP A 65 15.552 -7.222 -4.746 1.00 0.00 O ATOM 1028 CB ASP A 65 18.662 -7.184 -3.592 1.00 0.00 C ATOM 1029 CG ASP A 65 18.345 -8.658 -3.748 1.00 0.00 C ATOM 1030 OD1 ASP A 65 17.192 -9.049 -3.471 1.00 0.00 O ATOM 1031 OD2 ASP A 65 19.250 -9.422 -4.146 1.00 0.00 O ATOM 0 H ASP A 65 19.076 -4.739 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 65 17.868 -6.558 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.699 -7.006 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.568 -6.904 -2.543 1.00 0.00 H new ATOM 1036 N ASP A 66 15.885 -5.950 -2.921 1.00 0.00 N ATOM 1037 CA ASP A 66 14.517 -6.095 -2.436 1.00 0.00 C ATOM 1038 C ASP A 66 13.513 -5.723 -3.523 1.00 0.00 C ATOM 1039 O ASP A 66 12.556 -6.455 -3.776 1.00 0.00 O ATOM 1040 CB ASP A 66 14.296 -5.221 -1.200 1.00 0.00 C ATOM 1041 CG ASP A 66 15.032 -5.745 0.018 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.128 -6.981 0.167 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.512 -4.919 0.821 1.00 0.00 O ATOM 0 H ASP A 66 16.484 -5.375 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 66 14.362 -7.139 -2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.628 -4.205 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.229 -5.168 -0.982 1.00 0.00 H new ATOM 1048 N VAL A 67 13.737 -4.580 -4.163 1.00 0.00 N ATOM 1049 CA VAL A 67 12.852 -4.110 -5.222 1.00 0.00 C ATOM 1050 C VAL A 67 12.670 -5.175 -6.298 1.00 0.00 C ATOM 1051 O VAL A 67 11.553 -5.618 -6.566 1.00 0.00 O ATOM 1052 CB VAL A 67 13.392 -2.823 -5.875 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.434 -2.326 -6.946 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.630 -1.752 -4.822 1.00 0.00 C ATOM 0 H VAL A 67 14.524 -3.962 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 67 11.889 -3.897 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 67 14.346 -3.050 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.832 -1.416 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.319 -3.091 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.464 -2.114 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.011 -0.850 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.692 -1.525 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.358 -2.112 -4.095 1.00 0.00 H new ATOM 1064 N LYS A 68 13.776 -5.583 -6.912 1.00 0.00 N ATOM 1065 CA LYS A 68 13.740 -6.597 -7.958 1.00 0.00 C ATOM 1066 C LYS A 68 12.930 -7.810 -7.513 1.00 0.00 C ATOM 1067 O LYS A 68 12.166 -8.380 -8.293 1.00 0.00 O ATOM 1068 CB LYS A 68 15.162 -7.028 -8.328 1.00 0.00 C ATOM 1069 CG LYS A 68 16.068 -5.871 -8.709 1.00 0.00 C ATOM 1070 CD LYS A 68 17.499 -6.332 -8.930 1.00 0.00 C ATOM 1071 CE LYS A 68 18.475 -5.167 -8.878 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.749 -5.478 -9.584 1.00 0.00 N ATOM 0 H LYS A 68 14.708 -5.226 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 68 13.258 -6.162 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.602 -7.561 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.115 -7.731 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.693 -5.398 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.045 -5.116 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.767 -7.066 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.577 -6.830 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.015 -4.288 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.688 -4.918 -7.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.387 -4.659 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.201 -6.301 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.550 -5.691 -10.582 1.00 0.00 H new ATOM 1086 N LEU A 69 13.100 -8.200 -6.254 1.00 0.00 N ATOM 1087 CA LEU A 69 12.383 -9.345 -5.704 1.00 0.00 C ATOM 1088 C LEU A 69 10.883 -9.073 -5.650 1.00 0.00 C ATOM 1089 O LEU A 69 10.079 -9.878 -6.118 1.00 0.00 O ATOM 1090 CB LEU A 69 12.904 -9.673 -4.304 1.00 0.00 C ATOM 1091 CG LEU A 69 14.338 -10.198 -4.228 1.00 0.00 C ATOM 1092 CD1 LEU A 69 14.759 -10.392 -2.779 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.471 -11.501 -5.003 1.00 0.00 C ATOM 0 H LEU A 69 13.728 -7.740 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 69 12.555 -10.199 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.835 -8.774 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.242 -10.415 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 69 14.999 -9.460 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.782 -10.766 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.703 -9.439 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.094 -11.110 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.498 -11.860 -4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.799 -12.247 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.212 -11.331 -6.048 1.00 0.00 H new ATOM 1105 N ALA A 70 10.514 -7.932 -5.077 1.00 0.00 N ATOM 1106 CA ALA A 70 9.111 -7.551 -4.965 1.00 0.00 C ATOM 1107 C ALA A 70 8.403 -7.665 -6.311 1.00 0.00 C ATOM 1108 O ALA A 70 7.303 -8.211 -6.401 1.00 0.00 O ATOM 1109 CB ALA A 70 8.990 -6.136 -4.421 1.00 0.00 C ATOM 0 H ALA A 70 11.167 -7.255 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 70 8.628 -8.238 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.937 -5.865 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.452 -6.084 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.494 -5.443 -5.095 1.00 0.00 H new ATOM 1115 N LEU A 71 9.040 -7.146 -7.355 1.00 0.00 N ATOM 1116 CA LEU A 71 8.470 -7.188 -8.697 1.00 0.00 C ATOM 1117 C LEU A 71 8.160 -8.623 -9.112 1.00 0.00 C ATOM 1118 O LEU A 71 7.385 -8.860 -10.039 1.00 0.00 O ATOM 1119 CB LEU A 71 9.432 -6.551 -9.701 1.00 0.00 C ATOM 1120 CG LEU A 71 9.724 -5.064 -9.500 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.878 -4.622 -10.387 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.482 -4.233 -9.784 1.00 0.00 C ATOM 0 H LEU A 71 9.951 -6.691 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 71 7.538 -6.623 -8.687 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.376 -7.094 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.024 -6.689 -10.702 1.00 0.00 H new ATOM 0 HG LEU A 71 10.011 -4.907 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.072 -3.561 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.771 -5.195 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.620 -4.793 -11.432 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.709 -3.177 -9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.164 -4.395 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.682 -4.531 -9.106 1.00 0.00 H new ATOM 1134 N LYS A 72 8.770 -9.579 -8.418 1.00 0.00 N ATOM 1135 CA LYS A 72 8.557 -10.991 -8.711 1.00 0.00 C ATOM 1136 C LYS A 72 7.236 -11.476 -8.123 1.00 0.00 C ATOM 1137 O LYS A 72 6.675 -12.477 -8.571 1.00 0.00 O ATOM 1138 CB LYS A 72 9.713 -11.827 -8.156 1.00 0.00 C ATOM 1139 CG LYS A 72 11.083 -11.330 -8.581 1.00 0.00 C ATOM 1140 CD LYS A 72 12.179 -12.304 -8.183 1.00 0.00 C ATOM 1141 CE LYS A 72 13.528 -11.886 -8.747 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.638 -12.715 -8.200 1.00 0.00 N ATOM 0 H LYS A 72 9.416 -9.401 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 72 8.517 -11.110 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.658 -11.829 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.593 -12.860 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.099 -11.185 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.276 -10.359 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.240 -12.361 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.927 -13.302 -8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.510 -11.973 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.710 -10.837 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.488 -12.127 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.360 -13.101 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.842 -13.497 -8.854 1.00 0.00 H new ATOM 1156 N LYS A 73 6.743 -10.760 -7.118 1.00 0.00 N ATOM 1157 CA LYS A 73 5.486 -11.116 -6.470 1.00 0.00 C ATOM 1158 C LYS A 73 4.297 -10.569 -7.253 1.00 0.00 C ATOM 1159 O LYS A 73 3.166 -10.575 -6.766 1.00 0.00 O ATOM 1160 CB LYS A 73 5.458 -10.578 -5.037 1.00 0.00 C ATOM 1161 CG LYS A 73 6.779 -10.730 -4.304 1.00 0.00 C ATOM 1162 CD LYS A 73 7.053 -12.180 -3.942 1.00 0.00 C ATOM 1163 CE LYS A 73 6.254 -12.610 -2.721 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.921 -14.061 -2.759 1.00 0.00 N ATOM 0 H LYS A 73 7.195 -9.930 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 73 5.413 -12.203 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.184 -9.523 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.680 -11.098 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.588 -10.351 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.765 -10.124 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.801 -12.821 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.117 -12.313 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.825 -12.392 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.334 -12.028 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.377 -14.315 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.355 -14.265 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.799 -14.618 -2.786 1.00 0.00 H new ATOM 1178 N ASP A 74 4.559 -10.099 -8.467 1.00 0.00 N ATOM 1179 CA ASP A 74 3.510 -9.551 -9.319 1.00 0.00 C ATOM 1180 C ASP A 74 2.389 -10.567 -9.522 1.00 0.00 C ATOM 1181 O ASP A 74 2.577 -11.764 -9.305 1.00 0.00 O ATOM 1182 CB ASP A 74 4.087 -9.133 -10.672 1.00 0.00 C ATOM 1183 CG ASP A 74 4.125 -10.278 -11.664 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.800 -11.290 -11.378 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.479 -10.164 -12.726 1.00 0.00 O ATOM 0 H ASP A 74 5.490 -10.086 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 74 3.096 -8.673 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.489 -8.320 -11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.096 -8.746 -10.529 1.00 0.00 H new ATOM 1190 N ARG A 75 1.225 -10.080 -9.938 1.00 0.00 N ATOM 1191 CA ARG A 75 0.074 -10.945 -10.168 1.00 0.00 C ATOM 1192 C ARG A 75 0.097 -12.143 -9.223 1.00 0.00 C ATOM 1193 O ARG A 75 -0.138 -13.277 -9.639 1.00 0.00 O ATOM 1194 CB ARG A 75 0.053 -11.427 -11.620 1.00 0.00 C ATOM 1195 CG ARG A 75 0.992 -12.592 -11.888 1.00 0.00 C ATOM 1196 CD ARG A 75 1.523 -12.562 -13.313 1.00 0.00 C ATOM 1197 NE ARG A 75 2.803 -13.255 -13.435 1.00 0.00 N ATOM 1198 CZ ARG A 75 2.916 -14.570 -13.580 1.00 0.00 C ATOM 1199 NH1 ARG A 75 1.831 -15.332 -13.622 1.00 0.00 N ATOM 1200 NH2 ARG A 75 4.116 -15.127 -13.684 1.00 0.00 N ATOM 0 H ARG A 75 1.054 -9.092 -10.123 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.829 -10.366 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.963 -11.723 -11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.321 -10.597 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.826 -12.558 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.467 -13.531 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.796 -13.024 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.639 -11.527 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 75 3.657 -12.698 -13.407 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.907 -14.908 -13.543 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.921 -16.342 -13.733 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.953 -14.545 -13.653 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.201 -16.137 -13.795 1.00 0.00 H new ATOM 1214 N GLU A 76 0.382 -11.882 -7.952 1.00 0.00 N ATOM 1215 CA GLU A 76 0.437 -12.940 -6.949 1.00 0.00 C ATOM 1216 C GLU A 76 -0.941 -13.189 -6.344 1.00 0.00 C ATOM 1217 O GLU A 76 -1.930 -12.580 -6.754 1.00 0.00 O ATOM 1218 CB GLU A 76 1.432 -12.576 -5.845 1.00 0.00 C ATOM 1219 CG GLU A 76 2.845 -13.066 -6.114 1.00 0.00 C ATOM 1220 CD GLU A 76 2.975 -14.571 -5.988 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.699 -15.101 -4.891 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.353 -15.219 -6.986 1.00 0.00 O ATOM 0 H GLU A 76 0.578 -10.948 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 76 0.769 -13.854 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.449 -11.493 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.084 -12.996 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.146 -12.762 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.531 -12.586 -5.416 1.00 0.00 H new ATOM 1229 N SER A 77 -0.999 -14.089 -5.368 1.00 0.00 N ATOM 1230 CA SER A 77 -2.257 -14.422 -4.709 1.00 0.00 C ATOM 1231 C SER A 77 -2.121 -14.315 -3.193 1.00 0.00 C ATOM 1232 O SER A 77 -1.479 -15.150 -2.557 1.00 0.00 O ATOM 1233 CB SER A 77 -2.700 -15.834 -5.095 1.00 0.00 C ATOM 1234 OG SER A 77 -1.715 -16.791 -4.745 1.00 0.00 O ATOM 0 H SER A 77 -0.190 -14.601 -5.016 1.00 0.00 H new ATOM 0 HA SER A 77 -3.012 -13.709 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.638 -16.074 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.890 -15.879 -6.167 1.00 0.00 H new ATOM 0 HG SER A 77 -1.390 -16.609 -3.838 1.00 0.00 H new ATOM 1240 N MET A 78 -2.730 -13.281 -2.622 1.00 0.00 N ATOM 1241 CA MET A 78 -2.678 -13.065 -1.181 1.00 0.00 C ATOM 1242 C MET A 78 -4.003 -13.446 -0.526 1.00 0.00 C ATOM 1243 O MET A 78 -5.012 -12.765 -0.703 1.00 0.00 O ATOM 1244 CB MET A 78 -2.346 -11.604 -0.874 1.00 0.00 C ATOM 1245 CG MET A 78 -2.400 -11.266 0.607 1.00 0.00 C ATOM 1246 SD MET A 78 -2.554 -9.496 0.911 1.00 0.00 S ATOM 1247 CE MET A 78 -0.861 -8.962 0.671 1.00 0.00 C ATOM 0 H MET A 78 -3.265 -12.580 -3.135 1.00 0.00 H new ATOM 0 HA MET A 78 -1.894 -13.702 -0.772 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.349 -11.379 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.044 -10.961 -1.411 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.244 -11.784 1.063 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.498 -11.637 1.093 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.748 -7.938 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.191 -9.617 1.228 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.613 -9.005 -0.389 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.991 -14.539 0.231 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.197 -14.991 0.899 1.00 0.00 C ATOM 1259 C GLY A 79 -6.231 -15.529 -0.070 1.00 0.00 C ATOM 1260 O GLY A 79 -6.132 -16.669 -0.525 1.00 0.00 O ATOM 0 H GLY A 79 -3.168 -15.119 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.940 -15.768 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.628 -14.164 1.463 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.227 -14.707 -0.387 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.284 -15.107 -1.308 1.00 0.00 C ATOM 1266 C HIS A 80 -8.422 -14.102 -2.447 1.00 0.00 C ATOM 1267 O HIS A 80 -9.452 -14.047 -3.119 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.614 -15.239 -0.565 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.934 -14.061 0.303 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -10.603 -12.947 -0.157 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.674 -13.829 1.611 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -10.739 -12.079 0.831 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.185 -12.591 1.914 1.00 0.00 N ATOM 0 H HIS A 80 -7.324 -13.760 -0.019 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.015 -16.075 -1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.415 -15.373 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.589 -16.138 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.160 -14.494 2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.221 -11.115 0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.143 -12.140 2.828 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.377 -13.308 -2.659 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.382 -12.303 -3.715 1.00 0.00 C ATOM 1284 C ARG A 81 -6.032 -12.252 -4.424 1.00 0.00 C ATOM 1285 O ARG A 81 -5.109 -12.989 -4.076 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.719 -10.927 -3.137 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.131 -10.828 -2.583 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.501 -9.391 -2.252 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.116 -8.709 -3.387 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.411 -8.782 -3.674 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -12.223 -9.503 -2.913 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -11.897 -8.133 -4.724 1.00 0.00 N ATOM 0 H ARG A 81 -6.516 -13.342 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.145 -12.581 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.009 -10.692 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.589 -10.174 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.837 -11.228 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.215 -11.442 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.188 -9.379 -1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.607 -8.848 -1.944 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.519 -8.146 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.854 -10.004 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.217 -9.557 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.276 -7.577 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.892 -8.190 -4.943 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.925 -11.378 -5.418 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.689 -11.233 -6.178 1.00 0.00 C ATOM 1308 C TYR A 82 -3.992 -9.919 -5.839 1.00 0.00 C ATOM 1309 O TYR A 82 -4.638 -8.941 -5.460 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.977 -11.298 -7.679 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.861 -12.690 -8.258 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.842 -13.646 -8.022 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.772 -13.049 -9.042 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.739 -14.919 -8.548 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.662 -14.320 -9.574 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.648 -15.251 -9.324 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.543 -16.518 -9.851 1.00 0.00 O ATOM 0 H TYR A 82 -6.679 -10.759 -5.717 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.027 -12.055 -5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.982 -10.919 -7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.286 -10.637 -8.202 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.699 -13.389 -7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.998 -12.322 -9.239 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.509 -15.651 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.809 -14.582 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.717 -16.588 -10.373 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.671 -9.904 -5.981 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.886 -8.710 -5.692 1.00 0.00 C ATOM 1329 C ILE A 83 -0.984 -8.347 -6.867 1.00 0.00 C ATOM 1330 O ILE A 83 -0.334 -9.212 -7.452 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.019 -8.897 -4.433 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.826 -9.584 -3.329 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.488 -7.556 -3.951 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.076 -8.830 -2.936 1.00 0.00 C ATOM 0 H ILE A 83 -2.122 -10.705 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.595 -7.901 -5.518 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.170 -9.532 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.104 -10.584 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.193 -9.706 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.123 -7.705 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.118 -7.102 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.324 -6.898 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.598 -9.375 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.804 -7.839 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.729 -8.731 -3.803 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.950 -7.062 -7.204 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.126 -6.585 -8.309 1.00 0.00 C ATOM 1348 C GLU A 84 0.967 -5.647 -7.807 1.00 0.00 C ATOM 1349 O GLU A 84 0.685 -4.561 -7.300 1.00 0.00 O ATOM 1350 CB GLU A 84 -0.992 -5.868 -9.347 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.918 -6.797 -10.115 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.750 -6.066 -11.150 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -3.649 -5.295 -10.753 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -2.502 -6.265 -12.358 1.00 0.00 O ATOM 0 H GLU A 84 -1.482 -6.333 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 84 0.347 -7.449 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.589 -5.107 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.343 -5.350 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.326 -7.568 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.581 -7.304 -9.414 1.00 0.00 H new ATOM 1361 N VAL A 85 2.218 -6.074 -7.952 1.00 0.00 N ATOM 1362 CA VAL A 85 3.355 -5.273 -7.514 1.00 0.00 C ATOM 1363 C VAL A 85 3.714 -4.216 -8.552 1.00 0.00 C ATOM 1364 O VAL A 85 3.649 -4.465 -9.756 1.00 0.00 O ATOM 1365 CB VAL A 85 4.590 -6.153 -7.245 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.743 -5.309 -6.722 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.247 -7.266 -6.267 1.00 0.00 C ATOM 0 H VAL A 85 2.469 -6.970 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 85 3.059 -4.782 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 85 4.902 -6.609 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.607 -5.948 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.003 -4.551 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.446 -4.823 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.131 -7.878 -6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.910 -6.832 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.454 -7.886 -6.685 1.00 0.00 H new ATOM 1377 N PHE A 86 4.095 -3.035 -8.078 1.00 0.00 N ATOM 1378 CA PHE A 86 4.465 -1.938 -8.964 1.00 0.00 C ATOM 1379 C PHE A 86 5.717 -1.227 -8.458 1.00 0.00 C ATOM 1380 O PHE A 86 5.783 -0.808 -7.302 1.00 0.00 O ATOM 1381 CB PHE A 86 3.312 -0.939 -9.084 1.00 0.00 C ATOM 1382 CG PHE A 86 2.177 -1.433 -9.935 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.375 -1.726 -11.275 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.913 -1.604 -9.396 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.333 -2.181 -12.061 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.133 -2.060 -10.177 1.00 0.00 C ATOM 1387 CZ PHE A 86 0.077 -2.347 -11.512 1.00 0.00 C ATOM 0 H PHE A 86 4.156 -2.813 -7.084 1.00 0.00 H new ATOM 0 HA PHE A 86 4.679 -2.356 -9.948 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.935 -0.710 -8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.691 -0.007 -9.503 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.355 -1.597 -11.710 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.742 -1.379 -8.354 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.501 -2.406 -13.104 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.113 -2.192 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.739 -2.700 -12.125 1.00 0.00 H new ATOM 1397 N LYS A 87 6.710 -1.096 -9.331 1.00 0.00 N ATOM 1398 CA LYS A 87 7.960 -0.437 -8.976 1.00 0.00 C ATOM 1399 C LYS A 87 7.759 1.068 -8.827 1.00 0.00 C ATOM 1400 O LYS A 87 7.402 1.754 -9.785 1.00 0.00 O ATOM 1401 CB LYS A 87 9.028 -0.716 -10.036 1.00 0.00 C ATOM 1402 CG LYS A 87 10.447 -0.680 -9.494 1.00 0.00 C ATOM 1403 CD LYS A 87 10.913 0.744 -9.246 1.00 0.00 C ATOM 1404 CE LYS A 87 12.274 0.775 -8.568 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.716 2.167 -8.276 1.00 0.00 N ATOM 0 H LYS A 87 6.673 -1.438 -10.291 1.00 0.00 H new ATOM 0 HA LYS A 87 8.293 -0.839 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.842 -1.695 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.935 0.019 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.497 -1.247 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.120 -1.166 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.965 1.281 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.184 1.264 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.230 0.205 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.010 0.287 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.648 2.146 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.782 2.704 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.027 2.625 -7.645 1.00 0.00 H new ATOM 1419 N SER A 88 7.991 1.575 -7.620 1.00 0.00 N ATOM 1420 CA SER A 88 7.833 2.999 -7.346 1.00 0.00 C ATOM 1421 C SER A 88 8.926 3.495 -6.405 1.00 0.00 C ATOM 1422 O SER A 88 9.630 2.702 -5.779 1.00 0.00 O ATOM 1423 CB SER A 88 6.456 3.272 -6.737 1.00 0.00 C ATOM 1424 OG SER A 88 5.996 4.568 -7.078 1.00 0.00 O ATOM 0 H SER A 88 8.289 1.021 -6.817 1.00 0.00 H new ATOM 0 HA SER A 88 7.918 3.538 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.744 2.526 -7.090 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.509 3.175 -5.653 1.00 0.00 H new ATOM 0 HG SER A 88 5.019 4.558 -7.158 1.00 0.00 H new ATOM 1430 N HIS A 89 9.062 4.814 -6.310 1.00 0.00 N ATOM 1431 CA HIS A 89 10.069 5.419 -5.445 1.00 0.00 C ATOM 1432 C HIS A 89 9.448 5.886 -4.132 1.00 0.00 C ATOM 1433 O HIS A 89 8.267 5.651 -3.875 1.00 0.00 O ATOM 1434 CB HIS A 89 10.739 6.597 -6.153 1.00 0.00 C ATOM 1435 CG HIS A 89 9.791 7.427 -6.962 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.434 8.713 -6.615 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.127 7.150 -8.108 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.589 9.190 -7.513 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.387 8.261 -8.429 1.00 0.00 N ATOM 0 H HIS A 89 8.488 5.484 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 89 10.822 4.663 -5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.220 7.231 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.526 6.218 -6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.171 6.227 -8.666 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.140 10.172 -7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.780 8.354 -9.243 1.00 0.00 H new ATOM 1448 N ARG A 90 10.251 6.547 -3.305 1.00 0.00 N ATOM 1449 CA ARG A 90 9.780 7.045 -2.018 1.00 0.00 C ATOM 1450 C ARG A 90 9.073 8.387 -2.180 1.00 0.00 C ATOM 1451 O ARG A 90 7.906 8.535 -1.815 1.00 0.00 O ATOM 1452 CB ARG A 90 10.951 7.188 -1.044 1.00 0.00 C ATOM 1453 CG ARG A 90 10.525 7.544 0.371 1.00 0.00 C ATOM 1454 CD ARG A 90 10.197 9.023 0.499 1.00 0.00 C ATOM 1455 NE ARG A 90 10.295 9.488 1.880 1.00 0.00 N ATOM 1456 CZ ARG A 90 11.441 9.821 2.464 1.00 0.00 C ATOM 1457 NH1 ARG A 90 12.580 9.741 1.790 1.00 0.00 N ATOM 1458 NH2 ARG A 90 11.449 10.236 3.724 1.00 0.00 N ATOM 0 H ARG A 90 11.231 6.750 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 90 9.067 6.325 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.511 6.253 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.629 7.957 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.653 6.952 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.322 7.285 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.877 9.601 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.189 9.204 0.126 1.00 0.00 H new ATOM 0 HE ARG A 90 9.437 9.561 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.578 9.423 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.458 9.997 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.575 10.300 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.329 10.491 4.171 1.00 0.00 H new ATOM 1472 N THR A 91 9.787 9.364 -2.731 1.00 0.00 N ATOM 1473 CA THR A 91 9.229 10.694 -2.940 1.00 0.00 C ATOM 1474 C THR A 91 7.757 10.618 -3.329 1.00 0.00 C ATOM 1475 O THR A 91 6.916 11.300 -2.746 1.00 0.00 O ATOM 1476 CB THR A 91 9.998 11.460 -4.032 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.368 11.620 -3.647 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.373 12.825 -4.278 1.00 0.00 C ATOM 0 H THR A 91 10.753 9.259 -3.041 1.00 0.00 H new ATOM 0 HA THR A 91 9.325 11.229 -1.995 1.00 0.00 H new ATOM 0 HB THR A 91 9.946 10.882 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.850 12.107 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.933 13.347 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.339 12.699 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.398 13.408 -3.357 1.00 0.00 H new ATOM 1486 N GLU A 92 7.453 9.782 -4.317 1.00 0.00 N ATOM 1487 CA GLU A 92 6.081 9.618 -4.784 1.00 0.00 C ATOM 1488 C GLU A 92 5.176 9.140 -3.652 1.00 0.00 C ATOM 1489 O GLU A 92 4.214 9.814 -3.286 1.00 0.00 O ATOM 1490 CB GLU A 92 6.030 8.625 -5.947 1.00 0.00 C ATOM 1491 CG GLU A 92 4.657 8.010 -6.162 1.00 0.00 C ATOM 1492 CD GLU A 92 4.504 7.392 -7.538 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.049 7.959 -8.508 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.839 6.340 -7.645 1.00 0.00 O ATOM 0 H GLU A 92 8.138 9.208 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 92 5.722 10.588 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.339 9.132 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.751 7.828 -5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.482 7.247 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.894 8.776 -6.025 1.00 0.00 H new ATOM 1501 N MET A 93 5.491 7.971 -3.104 1.00 0.00 N ATOM 1502 CA MET A 93 4.707 7.402 -2.014 1.00 0.00 C ATOM 1503 C MET A 93 4.412 8.455 -0.950 1.00 0.00 C ATOM 1504 O MET A 93 3.472 8.313 -0.167 1.00 0.00 O ATOM 1505 CB MET A 93 5.448 6.220 -1.387 1.00 0.00 C ATOM 1506 CG MET A 93 4.773 5.672 -0.139 1.00 0.00 C ATOM 1507 SD MET A 93 5.839 4.559 0.796 1.00 0.00 S ATOM 1508 CE MET A 93 7.124 5.688 1.327 1.00 0.00 C ATOM 0 H MET A 93 6.283 7.399 -3.397 1.00 0.00 H new ATOM 0 HA MET A 93 3.761 7.051 -2.425 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.532 5.422 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.462 6.530 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.471 6.502 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.864 5.143 -0.425 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.058 5.438 0.825 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.838 6.709 1.074 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.258 5.605 2.406 1.00 0.00 H new ATOM 1518 N ASP A 94 5.219 9.509 -0.927 1.00 0.00 N ATOM 1519 CA ASP A 94 5.044 10.586 0.040 1.00 0.00 C ATOM 1520 C ASP A 94 3.817 11.427 -0.299 1.00 0.00 C ATOM 1521 O ASP A 94 3.032 11.780 0.581 1.00 0.00 O ATOM 1522 CB ASP A 94 6.290 11.472 0.081 1.00 0.00 C ATOM 1523 CG ASP A 94 6.513 12.096 1.444 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.850 11.352 2.389 1.00 0.00 O ATOM 1525 OD2 ASP A 94 6.351 13.328 1.566 1.00 0.00 O ATOM 0 H ASP A 94 6.002 9.641 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 94 4.895 10.138 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.163 10.879 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.196 12.261 -0.665 1.00 0.00 H new ATOM 1530 N TRP A 95 3.660 11.745 -1.579 1.00 0.00 N ATOM 1531 CA TRP A 95 2.529 12.546 -2.033 1.00 0.00 C ATOM 1532 C TRP A 95 1.246 11.724 -2.036 1.00 0.00 C ATOM 1533 O TRP A 95 0.212 12.167 -1.535 1.00 0.00 O ATOM 1534 CB TRP A 95 2.799 13.097 -3.435 1.00 0.00 C ATOM 1535 CG TRP A 95 2.222 12.249 -4.527 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.914 11.516 -5.448 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.833 12.049 -4.814 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.039 10.872 -6.290 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.757 11.182 -5.921 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.353 12.516 -4.242 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.458 10.776 -6.466 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.558 12.112 -4.783 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.604 11.249 -5.886 1.00 0.00 C ATOM 0 H TRP A 95 4.301 11.461 -2.320 1.00 0.00 H new ATOM 0 HA TRP A 95 2.403 13.378 -1.340 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.385 14.103 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.875 13.184 -3.582 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.991 11.452 -5.506 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.302 10.262 -7.064 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.328 13.181 -3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.495 10.111 -7.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.481 12.467 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.562 10.951 -6.286 1.00 0.00 H new ATOM 1554 N VAL A 96 1.318 10.523 -2.602 1.00 0.00 N ATOM 1555 CA VAL A 96 0.161 9.638 -2.667 1.00 0.00 C ATOM 1556 C VAL A 96 -0.447 9.425 -1.285 1.00 0.00 C ATOM 1557 O VAL A 96 -1.658 9.245 -1.149 1.00 0.00 O ATOM 1558 CB VAL A 96 0.534 8.270 -3.268 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.290 8.449 -4.576 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.354 7.459 -2.276 1.00 0.00 C ATOM 0 H VAL A 96 2.165 10.141 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.572 10.122 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.385 7.723 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.545 7.472 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.664 8.988 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.203 9.016 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.609 6.495 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.268 8.000 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.773 7.300 -1.368 1.00 0.00 H new ATOM 1570 N LEU A 97 0.400 9.447 -0.263 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.053 9.257 1.111 1.00 0.00 C ATOM 1572 C LEU A 97 -0.745 10.512 1.635 1.00 0.00 C ATOM 1573 O LEU A 97 -1.920 10.479 2.001 1.00 0.00 O ATOM 1574 CB LEU A 97 1.128 8.897 2.014 1.00 0.00 C ATOM 1575 CG LEU A 97 1.669 7.473 1.876 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.008 7.340 2.584 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.669 6.468 2.429 1.00 0.00 C ATOM 0 H LEU A 97 1.405 9.595 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.772 8.438 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.941 9.594 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.827 9.051 3.050 1.00 0.00 H new ATOM 0 HG LEU A 97 1.819 7.262 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.377 6.320 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.723 8.034 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.884 7.570 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.070 5.460 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.488 6.677 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.268 6.546 1.877 1.00 0.00 H new