USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 22 SER OG : rot -116:sc= -1.94! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00799 USER MOD Single : A 30 GLN : amide:sc= 0.0332 X(o=0.033,f=0) USER MOD Single : A 31 TYR OH : rot -16:sc= 0.714 USER MOD Single : A 32 THR OG1 : rot 149:sc= -3.79! USER MOD Single : A 38 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 43 SER OG : rot -179:sc= -1 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -125:sc= -1.02 (180deg=-2.58) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 58 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.31) USER MOD Single : A 60 GLN : amide:sc=-0.00382 X(o=-0.0038,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 22:sc= -0.494 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.025 5.077 1.490 1.00 0.00 N ATOM 215 CA VAL A 19 -6.463 3.801 0.953 1.00 0.00 C ATOM 216 C VAL A 19 -5.445 3.308 -0.077 1.00 0.00 C ATOM 217 O VAL A 19 -4.976 4.081 -0.911 1.00 0.00 O ATOM 218 CB VAL A 19 -7.876 3.931 0.379 1.00 0.00 C ATOM 219 CG1 VAL A 19 -7.839 4.472 -1.051 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.620 2.596 0.442 1.00 0.00 C ATOM 0 HA VAL A 19 -6.514 3.053 1.744 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.422 4.647 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.856 4.555 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.368 5.455 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.267 3.792 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.621 2.717 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.076 1.849 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.694 2.269 1.479 1.00 0.00 H new ATOM 230 N LEU A 20 -5.132 2.024 0.016 1.00 0.00 N ATOM 231 CA LEU A 20 -4.176 1.419 -0.896 1.00 0.00 C ATOM 232 C LEU A 20 -4.928 0.592 -1.941 1.00 0.00 C ATOM 233 O LEU A 20 -5.113 -0.612 -1.771 1.00 0.00 O ATOM 234 CB LEU A 20 -3.126 0.620 -0.121 1.00 0.00 C ATOM 235 CG LEU A 20 -1.907 1.408 0.362 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.269 0.738 1.582 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.900 1.611 -0.772 1.00 0.00 C ATOM 0 H LEU A 20 -5.523 1.386 0.709 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.624 2.190 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.609 0.168 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.779 -0.196 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.242 2.397 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.405 1.318 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.997 0.689 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.951 -0.271 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.043 2.174 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.565 0.641 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.373 2.163 -1.584 1.00 0.00 H new ATOM 248 N ARG A 21 -5.343 1.272 -3.001 1.00 0.00 N ATOM 249 CA ARG A 21 -6.071 0.616 -4.072 1.00 0.00 C ATOM 250 C ARG A 21 -5.095 -0.008 -5.073 1.00 0.00 C ATOM 251 O ARG A 21 -3.962 0.451 -5.208 1.00 0.00 O ATOM 252 CB ARG A 21 -6.981 1.604 -4.806 1.00 0.00 C ATOM 253 CG ARG A 21 -8.307 1.781 -4.066 1.00 0.00 C ATOM 254 CD ARG A 21 -9.421 2.197 -5.029 1.00 0.00 C ATOM 255 NE ARG A 21 -10.687 1.527 -4.657 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.440 1.875 -3.605 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.059 2.886 -2.813 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.574 1.210 -3.344 1.00 0.00 N ATOM 0 H ARG A 21 -5.188 2.271 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.687 -0.164 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.480 2.568 -4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.170 1.247 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.579 0.849 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.195 2.535 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.551 3.279 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.147 1.934 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.006 0.752 -5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.195 3.391 -3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.633 3.151 -2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.863 0.439 -3.946 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.148 1.475 -2.543 1.00 0.00 H new ATOM 269 N SER A 22 -5.572 -1.043 -5.748 1.00 0.00 N ATOM 270 CA SER A 22 -4.755 -1.735 -6.731 1.00 0.00 C ATOM 271 C SER A 22 -4.829 -1.008 -8.076 1.00 0.00 C ATOM 272 O SER A 22 -5.905 -0.595 -8.504 1.00 0.00 O ATOM 273 CB SER A 22 -5.199 -3.191 -6.890 1.00 0.00 C ATOM 274 OG SER A 22 -4.375 -3.902 -7.810 1.00 0.00 O ATOM 0 H SER A 22 -6.513 -1.419 -5.634 1.00 0.00 H new ATOM 0 HA SER A 22 -3.723 -1.735 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.171 -3.687 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.233 -3.219 -7.233 1.00 0.00 H new ATOM 0 HG SER A 22 -4.911 -4.181 -8.581 1.00 0.00 H new ATOM 279 N PRO A 23 -3.640 -0.872 -8.721 1.00 0.00 N ATOM 280 CA PRO A 23 -3.559 -0.202 -10.008 1.00 0.00 C ATOM 281 C PRO A 23 -4.102 -1.095 -11.126 1.00 0.00 C ATOM 282 O PRO A 23 -4.412 -0.613 -12.214 1.00 0.00 O ATOM 283 CB PRO A 23 -2.088 0.140 -10.183 1.00 0.00 C ATOM 284 CG PRO A 23 -1.334 -0.755 -9.213 1.00 0.00 C ATOM 285 CD PRO A 23 -2.345 -1.348 -8.244 1.00 0.00 C ATOM 0 HA PRO A 23 -4.171 0.699 -10.052 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.765 -0.037 -11.209 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.903 1.192 -9.968 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.811 -1.546 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.579 -0.183 -8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.300 -2.437 -8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.154 -1.019 -7.222 1.00 0.00 H new ATOM 290 N SER A 24 -4.200 -2.380 -10.819 1.00 0.00 N ATOM 291 CA SER A 24 -4.699 -3.345 -11.783 1.00 0.00 C ATOM 292 C SER A 24 -4.996 -4.674 -11.087 1.00 0.00 C ATOM 293 O SER A 24 -4.393 -4.991 -10.063 1.00 0.00 O ATOM 294 CB SER A 24 -3.700 -3.553 -12.922 1.00 0.00 C ATOM 295 OG SER A 24 -4.351 -3.722 -14.179 1.00 0.00 O ATOM 0 H SER A 24 -3.942 -2.775 -9.915 1.00 0.00 H new ATOM 0 HA SER A 24 -5.621 -2.954 -12.213 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.027 -2.697 -12.975 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.087 -4.429 -12.711 1.00 0.00 H new ATOM 0 HG SER A 24 -3.679 -3.850 -14.881 1.00 0.00 H new ATOM 300 N ALA A 25 -5.923 -5.418 -11.672 1.00 0.00 N ATOM 301 CA ALA A 25 -6.307 -6.707 -11.121 1.00 0.00 C ATOM 302 C ALA A 25 -5.062 -7.584 -10.975 1.00 0.00 C ATOM 303 O ALA A 25 -3.982 -7.217 -11.433 1.00 0.00 O ATOM 304 CB ALA A 25 -7.371 -7.348 -12.015 1.00 0.00 C ATOM 0 H ALA A 25 -6.420 -5.153 -12.522 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.744 -6.587 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.659 -8.315 -11.602 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.245 -6.699 -12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.968 -7.488 -13.018 1.00 0.00 H new ATOM 310 N GLY A 26 -5.256 -8.727 -10.333 1.00 0.00 N ATOM 311 CA GLY A 26 -4.163 -9.661 -10.121 1.00 0.00 C ATOM 312 C GLY A 26 -4.538 -10.717 -9.080 1.00 0.00 C ATOM 313 O GLY A 26 -5.652 -11.239 -9.094 1.00 0.00 O ATOM 0 H GLY A 26 -6.154 -9.027 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.908 -10.148 -11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.276 -9.120 -9.792 1.00 0.00 H new ATOM 317 N LYS A 27 -3.587 -11.001 -8.202 1.00 0.00 N ATOM 318 CA LYS A 27 -3.804 -11.987 -7.157 1.00 0.00 C ATOM 319 C LYS A 27 -2.836 -11.721 -6.002 1.00 0.00 C ATOM 320 O LYS A 27 -1.624 -11.867 -6.158 1.00 0.00 O ATOM 321 CB LYS A 27 -3.709 -13.403 -7.726 1.00 0.00 C ATOM 322 CG LYS A 27 -4.795 -14.305 -7.139 1.00 0.00 C ATOM 323 CD LYS A 27 -5.101 -15.477 -8.075 1.00 0.00 C ATOM 324 CE LYS A 27 -6.032 -15.043 -9.209 1.00 0.00 C ATOM 325 NZ LYS A 27 -6.167 -16.125 -10.210 1.00 0.00 N ATOM 0 H LYS A 27 -2.665 -10.566 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.813 -11.899 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.807 -13.370 -8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.727 -13.821 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.473 -14.684 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.702 -13.725 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.172 -15.867 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.562 -16.287 -7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.012 -14.788 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.640 -14.145 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.802 -15.815 -10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.232 -16.349 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.562 -16.972 -9.754 1.00 0.00 H new ATOM 335 N LEU A 28 -3.406 -11.336 -4.870 1.00 0.00 N ATOM 336 CA LEU A 28 -2.608 -11.049 -3.690 1.00 0.00 C ATOM 337 C LEU A 28 -1.812 -12.298 -3.302 1.00 0.00 C ATOM 338 O LEU A 28 -2.229 -13.418 -3.591 1.00 0.00 O ATOM 339 CB LEU A 28 -3.491 -10.508 -2.564 1.00 0.00 C ATOM 340 CG LEU A 28 -2.756 -9.862 -1.388 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.080 -8.558 -1.813 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.699 -9.657 -0.199 1.00 0.00 C ATOM 0 H LEU A 28 -4.411 -11.216 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.884 -10.262 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.176 -9.773 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.100 -11.327 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.968 -10.542 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.565 -8.120 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.359 -8.763 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.833 -7.860 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.152 -9.196 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.523 -9.008 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.094 -10.621 0.122 1.00 0.00 H new ATOM 353 N THR A 29 -0.681 -12.061 -2.652 1.00 0.00 N ATOM 354 CA THR A 29 0.176 -13.152 -2.222 1.00 0.00 C ATOM 355 C THR A 29 0.497 -13.022 -0.731 1.00 0.00 C ATOM 356 O THR A 29 0.142 -13.892 0.062 1.00 0.00 O ATOM 357 CB THR A 29 1.420 -13.156 -3.112 1.00 0.00 C ATOM 358 OG1 THR A 29 1.953 -11.842 -2.970 1.00 0.00 O ATOM 359 CG2 THR A 29 1.075 -13.259 -4.600 1.00 0.00 C ATOM 0 H THR A 29 -0.339 -11.130 -2.413 1.00 0.00 H new ATOM 0 HA THR A 29 -0.324 -14.114 -2.333 1.00 0.00 H new ATOM 0 HB THR A 29 2.065 -13.988 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.764 -11.758 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.993 -13.258 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.528 -14.184 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.458 -12.409 -4.890 1.00 0.00 H new ATOM 367 N GLN A 30 1.164 -11.927 -0.395 1.00 0.00 N ATOM 368 CA GLN A 30 1.536 -11.672 0.986 1.00 0.00 C ATOM 369 C GLN A 30 2.034 -10.234 1.143 1.00 0.00 C ATOM 370 O GLN A 30 2.129 -9.495 0.165 1.00 0.00 O ATOM 371 CB GLN A 30 2.589 -12.673 1.463 1.00 0.00 C ATOM 372 CG GLN A 30 3.912 -12.472 0.723 1.00 0.00 C ATOM 373 CD GLN A 30 5.069 -13.132 1.477 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.536 -14.205 1.133 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.503 -12.432 2.522 1.00 0.00 N ATOM 0 H GLN A 30 1.456 -11.207 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 30 0.652 -11.800 1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.747 -12.557 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.229 -13.689 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.839 -12.893 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.110 -11.406 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.067 -11.540 2.755 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.272 -12.788 3.090 1.00 0.00 H new ATOM 382 N TYR A 31 2.339 -9.881 2.383 1.00 0.00 N ATOM 383 CA TYR A 31 2.825 -8.545 2.682 1.00 0.00 C ATOM 384 C TYR A 31 4.322 -8.564 3.005 1.00 0.00 C ATOM 385 O TYR A 31 4.797 -9.458 3.703 1.00 0.00 O ATOM 386 CB TYR A 31 2.056 -8.083 3.922 1.00 0.00 C ATOM 387 CG TYR A 31 0.578 -8.477 3.919 1.00 0.00 C ATOM 388 CD1 TYR A 31 -0.210 -8.198 2.820 1.00 0.00 C ATOM 389 CD2 TYR A 31 0.031 -9.112 5.015 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.600 -8.571 2.817 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.360 -9.485 5.013 1.00 0.00 C ATOM 392 CZ TYR A 31 -2.107 -9.195 3.913 1.00 0.00 C ATOM 393 OH TYR A 31 -3.421 -9.546 3.911 1.00 0.00 O ATOM 0 H TYR A 31 2.259 -10.497 3.192 1.00 0.00 H new ATOM 0 HA TYR A 31 2.678 -7.885 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.531 -8.502 4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.132 -6.999 4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.217 -7.700 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.647 -9.330 5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.226 -8.360 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.800 -9.983 5.864 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.887 -9.065 3.195 1.00 0.00 H new ATOM 402 N THR A 32 5.021 -7.569 2.478 1.00 0.00 N ATOM 403 CA THR A 32 6.452 -7.461 2.701 1.00 0.00 C ATOM 404 C THR A 32 6.734 -6.744 4.022 1.00 0.00 C ATOM 405 O THR A 32 7.869 -6.731 4.496 1.00 0.00 O ATOM 406 CB THR A 32 7.068 -6.762 1.486 1.00 0.00 C ATOM 407 OG1 THR A 32 6.558 -5.434 1.555 1.00 0.00 O ATOM 408 CG2 THR A 32 6.524 -7.302 0.163 1.00 0.00 C ATOM 0 H THR A 32 4.623 -6.831 1.898 1.00 0.00 H new ATOM 0 HA THR A 32 6.913 -8.444 2.797 1.00 0.00 H new ATOM 0 HB THR A 32 8.151 -6.881 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.212 -4.812 1.172 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.993 -6.773 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.745 -8.366 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.445 -7.152 0.125 1.00 0.00 H new ATOM 416 N VAL A 33 5.681 -6.162 4.580 1.00 0.00 N ATOM 417 CA VAL A 33 5.802 -5.444 5.837 1.00 0.00 C ATOM 418 C VAL A 33 4.923 -6.120 6.891 1.00 0.00 C ATOM 419 O VAL A 33 4.060 -6.930 6.558 1.00 0.00 O ATOM 420 CB VAL A 33 5.459 -3.968 5.631 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.223 -3.388 4.438 1.00 0.00 C ATOM 422 CG2 VAL A 33 3.951 -3.773 5.462 1.00 0.00 C ATOM 0 H VAL A 33 4.741 -6.174 4.184 1.00 0.00 H new ATOM 0 HA VAL A 33 6.829 -5.478 6.199 1.00 0.00 H new ATOM 0 HB VAL A 33 5.769 -3.425 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.961 -2.337 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.295 -3.476 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.958 -3.937 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.735 -2.714 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.606 -4.336 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.436 -4.130 6.354 1.00 0.00 H new ATOM 432 N GLU A 34 5.174 -5.762 8.142 1.00 0.00 N ATOM 433 CA GLU A 34 4.416 -6.324 9.247 1.00 0.00 C ATOM 434 C GLU A 34 3.337 -5.340 9.706 1.00 0.00 C ATOM 435 O GLU A 34 3.216 -4.246 9.156 1.00 0.00 O ATOM 436 CB GLU A 34 5.339 -6.705 10.406 1.00 0.00 C ATOM 437 CG GLU A 34 5.704 -8.189 10.351 1.00 0.00 C ATOM 438 CD GLU A 34 7.222 -8.382 10.348 1.00 0.00 C ATOM 439 OE1 GLU A 34 7.886 -7.637 9.595 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.684 -9.268 11.099 1.00 0.00 O ATOM 0 H GLU A 34 5.891 -5.090 8.415 1.00 0.00 H new ATOM 0 HA GLU A 34 3.926 -7.234 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.246 -6.102 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.849 -6.482 11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.270 -8.706 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.275 -8.639 9.456 1.00 0.00 H new ATOM 445 N ASP A 35 2.582 -5.765 10.708 1.00 0.00 N ATOM 446 CA ASP A 35 1.518 -4.935 11.247 1.00 0.00 C ATOM 447 C ASP A 35 2.066 -3.538 11.542 1.00 0.00 C ATOM 448 O ASP A 35 2.989 -3.384 12.340 1.00 0.00 O ATOM 449 CB ASP A 35 0.974 -5.516 12.554 1.00 0.00 C ATOM 450 CG ASP A 35 -0.064 -4.647 13.266 1.00 0.00 C ATOM 451 OD1 ASP A 35 0.363 -3.664 13.910 1.00 0.00 O ATOM 452 OD2 ASP A 35 -1.262 -4.984 13.149 1.00 0.00 O ATOM 0 H ASP A 35 2.686 -6.673 11.161 1.00 0.00 H new ATOM 0 HA ASP A 35 0.716 -4.894 10.510 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.529 -6.489 12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.809 -5.688 13.233 1.00 0.00 H new ATOM 456 N GLY A 36 1.475 -2.553 10.882 1.00 0.00 N ATOM 457 CA GLY A 36 1.892 -1.173 11.062 1.00 0.00 C ATOM 458 C GLY A 36 3.231 -0.909 10.369 1.00 0.00 C ATOM 459 O GLY A 36 4.011 -0.070 10.816 1.00 0.00 O ATOM 0 H GLY A 36 0.709 -2.684 10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.132 -0.504 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.979 -0.952 12.126 1.00 0.00 H new ATOM 463 N GLY A 37 3.455 -1.642 9.289 1.00 0.00 N ATOM 464 CA GLY A 37 4.685 -1.498 8.529 1.00 0.00 C ATOM 465 C GLY A 37 4.840 -0.071 8.000 1.00 0.00 C ATOM 466 O GLY A 37 3.913 0.479 7.407 1.00 0.00 O ATOM 0 H GLY A 37 2.806 -2.338 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.538 -1.750 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.686 -2.201 7.696 1.00 0.00 H new ATOM 470 N HIS A 38 6.017 0.489 8.235 1.00 0.00 N ATOM 471 CA HIS A 38 6.305 1.842 7.791 1.00 0.00 C ATOM 472 C HIS A 38 7.268 1.798 6.602 1.00 0.00 C ATOM 473 O HIS A 38 8.425 1.407 6.750 1.00 0.00 O ATOM 474 CB HIS A 38 6.830 2.694 8.948 1.00 0.00 C ATOM 475 CG HIS A 38 7.098 4.134 8.578 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.905 5.182 9.461 1.00 0.00 N ATOM 477 CD2 HIS A 38 7.547 4.687 7.415 1.00 0.00 C ATOM 478 CE1 HIS A 38 7.224 6.311 8.845 1.00 0.00 C ATOM 479 NE2 HIS A 38 7.621 6.002 7.578 1.00 0.00 N ATOM 0 H HIS A 38 6.783 0.030 8.728 1.00 0.00 H new ATOM 0 HA HIS A 38 5.386 2.321 7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 38 6.106 2.668 9.763 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.751 2.249 9.325 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.799 4.147 6.515 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.178 7.302 9.272 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.925 6.672 6.871 1.00 0.00 H new ATOM 486 N VAL A 39 6.754 2.205 5.450 1.00 0.00 N ATOM 487 CA VAL A 39 7.554 2.217 4.238 1.00 0.00 C ATOM 488 C VAL A 39 7.629 3.645 3.695 1.00 0.00 C ATOM 489 O VAL A 39 7.073 4.568 4.288 1.00 0.00 O ATOM 490 CB VAL A 39 6.983 1.222 3.225 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.351 -0.215 3.600 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.467 1.383 3.093 1.00 0.00 C ATOM 0 H VAL A 39 5.794 2.529 5.331 1.00 0.00 H new ATOM 0 HA VAL A 39 8.574 1.896 4.451 1.00 0.00 H new ATOM 0 HB VAL A 39 7.429 1.439 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.933 -0.902 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.436 -0.320 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.947 -0.449 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.087 0.664 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.997 1.206 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.236 2.394 2.758 1.00 0.00 H new ATOM 502 N GLU A 40 8.322 3.783 2.574 1.00 0.00 N ATOM 503 CA GLU A 40 8.476 5.084 1.945 1.00 0.00 C ATOM 504 C GLU A 40 7.726 5.122 0.613 1.00 0.00 C ATOM 505 O GLU A 40 7.497 4.084 -0.005 1.00 0.00 O ATOM 506 CB GLU A 40 9.956 5.427 1.752 1.00 0.00 C ATOM 507 CG GLU A 40 10.612 4.476 0.749 1.00 0.00 C ATOM 508 CD GLU A 40 12.131 4.448 0.933 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.561 4.103 2.054 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.826 4.774 -0.054 1.00 0.00 O ATOM 0 H GLU A 40 8.783 3.016 2.085 1.00 0.00 H new ATOM 0 HA GLU A 40 8.044 5.838 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.052 6.454 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.475 5.367 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.208 3.472 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.371 4.790 -0.267 1.00 0.00 H new ATOM 515 N ALA A 41 7.363 6.331 0.210 1.00 0.00 N ATOM 516 CA ALA A 41 6.643 6.518 -1.039 1.00 0.00 C ATOM 517 C ALA A 41 7.536 6.094 -2.207 1.00 0.00 C ATOM 518 O ALA A 41 8.321 6.893 -2.715 1.00 0.00 O ATOM 519 CB ALA A 41 6.188 7.975 -1.152 1.00 0.00 C ATOM 0 H ALA A 41 7.554 7.190 0.726 1.00 0.00 H new ATOM 0 HA ALA A 41 5.750 5.894 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.648 8.116 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.533 8.218 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.059 8.631 -1.133 1.00 0.00 H new ATOM 525 N GLY A 42 7.386 4.837 -2.599 1.00 0.00 N ATOM 526 CA GLY A 42 8.170 4.297 -3.696 1.00 0.00 C ATOM 527 C GLY A 42 8.640 2.875 -3.387 1.00 0.00 C ATOM 528 O GLY A 42 9.004 2.126 -4.293 1.00 0.00 O ATOM 0 H GLY A 42 6.733 4.177 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.573 4.296 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.033 4.937 -3.880 1.00 0.00 H new ATOM 532 N SER A 43 8.617 2.545 -2.104 1.00 0.00 N ATOM 533 CA SER A 43 9.038 1.225 -1.665 1.00 0.00 C ATOM 534 C SER A 43 7.923 0.208 -1.921 1.00 0.00 C ATOM 535 O SER A 43 6.906 0.538 -2.528 1.00 0.00 O ATOM 536 CB SER A 43 9.417 1.234 -0.182 1.00 0.00 C ATOM 537 OG SER A 43 10.799 1.519 0.014 1.00 0.00 O ATOM 0 H SER A 43 8.314 3.168 -1.355 1.00 0.00 H new ATOM 0 HA SER A 43 9.921 0.939 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.816 1.977 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.181 0.265 0.258 1.00 0.00 H new ATOM 0 HG SER A 43 11.004 1.501 0.972 1.00 0.00 H new ATOM 542 N SER A 44 8.154 -1.008 -1.447 1.00 0.00 N ATOM 543 CA SER A 44 7.182 -2.074 -1.618 1.00 0.00 C ATOM 544 C SER A 44 6.743 -2.606 -0.252 1.00 0.00 C ATOM 545 O SER A 44 7.573 -2.836 0.625 1.00 0.00 O ATOM 546 CB SER A 44 7.755 -3.208 -2.470 1.00 0.00 C ATOM 547 OG SER A 44 8.941 -3.756 -1.902 1.00 0.00 O ATOM 0 H SER A 44 9.000 -1.278 -0.945 1.00 0.00 H new ATOM 0 HA SER A 44 6.315 -1.667 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.008 -3.994 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.971 -2.835 -3.471 1.00 0.00 H new ATOM 0 HG SER A 44 9.275 -4.478 -2.475 1.00 0.00 H new ATOM 552 N TYR A 45 5.437 -2.785 -0.115 1.00 0.00 N ATOM 553 CA TYR A 45 4.877 -3.284 1.129 1.00 0.00 C ATOM 554 C TYR A 45 4.166 -4.622 0.912 1.00 0.00 C ATOM 555 O TYR A 45 3.811 -5.303 1.873 1.00 0.00 O ATOM 556 CB TYR A 45 3.852 -2.242 1.580 1.00 0.00 C ATOM 557 CG TYR A 45 2.508 -2.338 0.855 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.627 -3.354 1.167 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.177 -1.409 -0.111 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.362 -3.444 0.485 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.912 -1.500 -0.793 1.00 0.00 C ATOM 562 CZ TYR A 45 0.066 -2.513 -0.461 1.00 0.00 C ATOM 563 OH TYR A 45 -1.128 -2.599 -1.106 1.00 0.00 O ATOM 0 H TYR A 45 4.751 -2.593 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 45 5.663 -3.442 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.684 -2.352 2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.268 -1.247 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.886 -4.081 1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.866 -0.614 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.336 -4.234 0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.641 -0.780 -1.551 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.203 -1.867 -1.754 1.00 0.00 H new ATOM 572 N ALA A 46 3.979 -4.958 -0.356 1.00 0.00 N ATOM 573 CA ALA A 46 3.317 -6.201 -0.711 1.00 0.00 C ATOM 574 C ALA A 46 3.562 -6.498 -2.191 1.00 0.00 C ATOM 575 O ALA A 46 4.312 -5.786 -2.856 1.00 0.00 O ATOM 576 CB ALA A 46 1.828 -6.100 -0.375 1.00 0.00 C ATOM 0 H ALA A 46 4.275 -4.390 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 46 3.725 -7.032 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.331 -7.033 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.708 -5.917 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.383 -5.279 -0.937 1.00 0.00 H new ATOM 582 N GLU A 47 2.915 -7.554 -2.664 1.00 0.00 N ATOM 583 CA GLU A 47 3.053 -7.955 -4.054 1.00 0.00 C ATOM 584 C GLU A 47 1.711 -8.448 -4.600 1.00 0.00 C ATOM 585 O GLU A 47 0.719 -8.486 -3.875 1.00 0.00 O ATOM 586 CB GLU A 47 4.135 -9.027 -4.210 1.00 0.00 C ATOM 587 CG GLU A 47 5.523 -8.451 -3.919 1.00 0.00 C ATOM 588 CD GLU A 47 6.577 -9.068 -4.840 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.253 -9.246 -6.034 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.682 -9.349 -4.329 1.00 0.00 O ATOM 0 H GLU A 47 2.294 -8.144 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 47 3.362 -7.085 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.932 -9.856 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.109 -9.430 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.507 -7.369 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.788 -8.640 -2.879 1.00 0.00 H new ATOM 595 N MET A 48 1.725 -8.811 -5.874 1.00 0.00 N ATOM 596 CA MET A 48 0.522 -9.299 -6.526 1.00 0.00 C ATOM 597 C MET A 48 0.865 -10.088 -7.792 1.00 0.00 C ATOM 598 O MET A 48 1.933 -9.902 -8.372 1.00 0.00 O ATOM 599 CB MET A 48 -0.379 -8.116 -6.889 1.00 0.00 C ATOM 600 CG MET A 48 0.363 -7.117 -7.779 1.00 0.00 C ATOM 601 SD MET A 48 -0.408 -7.041 -9.386 1.00 0.00 S ATOM 602 CE MET A 48 -2.004 -6.380 -8.934 1.00 0.00 C ATOM 0 H MET A 48 2.551 -8.777 -6.472 1.00 0.00 H new ATOM 0 HA MET A 48 0.002 -9.964 -5.836 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.269 -8.477 -7.404 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.716 -7.618 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.356 -6.130 -7.316 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.407 -7.414 -7.881 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.789 -7.040 -9.303 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.073 -6.306 -7.849 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.126 -5.390 -9.374 1.00 0.00 H new ATOM 610 N GLU A 49 -0.062 -10.951 -8.182 1.00 0.00 N ATOM 611 CA GLU A 49 0.129 -11.768 -9.368 1.00 0.00 C ATOM 612 C GLU A 49 -0.965 -11.474 -10.397 1.00 0.00 C ATOM 613 O GLU A 49 -2.133 -11.788 -10.172 1.00 0.00 O ATOM 614 CB GLU A 49 0.160 -13.255 -9.011 1.00 0.00 C ATOM 615 CG GLU A 49 0.211 -14.121 -10.271 1.00 0.00 C ATOM 616 CD GLU A 49 0.719 -15.528 -9.949 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.167 -16.127 -9.001 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.647 -15.973 -10.659 1.00 0.00 O ATOM 0 H GLU A 49 -0.947 -11.102 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 49 1.093 -11.514 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.028 -13.464 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.723 -13.510 -8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.783 -14.182 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.863 -13.656 -11.010 1.00 0.00 H new ATOM 623 N VAL A 50 -0.548 -10.875 -11.503 1.00 0.00 N ATOM 624 CA VAL A 50 -1.477 -10.536 -12.566 1.00 0.00 C ATOM 625 C VAL A 50 -0.904 -11.001 -13.907 1.00 0.00 C ATOM 626 O VAL A 50 0.299 -10.893 -14.142 1.00 0.00 O ATOM 627 CB VAL A 50 -1.786 -9.038 -12.534 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.497 -8.215 -12.486 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.653 -8.630 -13.727 1.00 0.00 C ATOM 0 H VAL A 50 0.422 -10.616 -11.685 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.426 -11.052 -12.422 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.351 -8.832 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.744 -7.154 -12.464 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.068 -8.475 -11.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.105 -8.429 -13.369 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.857 -7.560 -13.679 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.127 -8.858 -14.654 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.593 -9.181 -13.699 1.00 0.00 H new ATOM 639 N MET A 51 -1.791 -11.507 -14.751 1.00 0.00 N ATOM 640 CA MET A 51 -1.388 -11.988 -16.061 1.00 0.00 C ATOM 641 C MET A 51 -0.319 -13.076 -15.941 1.00 0.00 C ATOM 642 O MET A 51 0.583 -13.159 -16.773 1.00 0.00 O ATOM 643 CB MET A 51 -0.839 -10.822 -16.886 1.00 0.00 C ATOM 644 CG MET A 51 -1.955 -10.137 -17.677 1.00 0.00 C ATOM 645 SD MET A 51 -1.862 -10.607 -19.396 1.00 0.00 S ATOM 646 CE MET A 51 -3.345 -11.592 -19.530 1.00 0.00 C ATOM 0 H MET A 51 -2.788 -11.594 -14.553 1.00 0.00 H new ATOM 0 HA MET A 51 -2.261 -12.415 -16.555 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.359 -10.099 -16.226 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.073 -11.185 -17.571 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.926 -10.415 -17.267 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.868 -9.055 -17.582 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.442 -11.967 -20.549 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.288 -12.432 -18.838 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.212 -10.979 -19.285 1.00 0.00 H new ATOM 654 N LYS A 52 -0.458 -13.884 -14.900 1.00 0.00 N ATOM 655 CA LYS A 52 0.485 -14.964 -14.661 1.00 0.00 C ATOM 656 C LYS A 52 1.863 -14.374 -14.351 1.00 0.00 C ATOM 657 O LYS A 52 2.876 -15.060 -14.467 1.00 0.00 O ATOM 658 CB LYS A 52 0.485 -15.945 -15.835 1.00 0.00 C ATOM 659 CG LYS A 52 -0.692 -16.917 -15.737 1.00 0.00 C ATOM 660 CD LYS A 52 -0.239 -18.273 -15.192 1.00 0.00 C ATOM 661 CE LYS A 52 0.051 -19.253 -16.332 1.00 0.00 C ATOM 662 NZ LYS A 52 -0.579 -20.564 -16.061 1.00 0.00 N ATOM 0 H LYS A 52 -1.209 -13.813 -14.213 1.00 0.00 H new ATOM 0 HA LYS A 52 0.185 -15.546 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.429 -15.394 -16.774 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.422 -16.502 -15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.461 -16.498 -15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.143 -17.049 -16.721 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.655 -18.144 -14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.011 -18.684 -14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.326 -18.849 -17.272 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.128 -19.377 -16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.373 -21.217 -16.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.200 -20.955 -15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.608 -20.443 -15.973 1.00 0.00 H new ATOM 672 N MET A 53 1.854 -13.107 -13.964 1.00 0.00 N ATOM 673 CA MET A 53 3.091 -12.416 -13.637 1.00 0.00 C ATOM 674 C MET A 53 3.028 -11.814 -12.232 1.00 0.00 C ATOM 675 O MET A 53 1.983 -11.321 -11.811 1.00 0.00 O ATOM 676 CB MET A 53 3.341 -11.305 -14.658 1.00 0.00 C ATOM 677 CG MET A 53 3.409 -11.870 -16.078 1.00 0.00 C ATOM 678 SD MET A 53 4.414 -10.814 -17.108 1.00 0.00 S ATOM 679 CE MET A 53 4.619 -11.872 -18.530 1.00 0.00 C ATOM 0 H MET A 53 1.011 -12.541 -13.869 1.00 0.00 H new ATOM 0 HA MET A 53 3.907 -13.138 -13.666 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.545 -10.563 -14.596 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.273 -10.792 -14.422 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.827 -12.877 -16.058 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.405 -11.950 -16.495 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.227 -11.363 -19.278 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.113 -12.796 -18.228 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.642 -12.105 -18.954 1.00 0.00 H new ATOM 687 N ILE A 54 4.159 -11.875 -11.545 1.00 0.00 N ATOM 688 CA ILE A 54 4.245 -11.342 -10.197 1.00 0.00 C ATOM 689 C ILE A 54 4.735 -9.894 -10.256 1.00 0.00 C ATOM 690 O ILE A 54 5.778 -9.611 -10.844 1.00 0.00 O ATOM 691 CB ILE A 54 5.109 -12.248 -9.317 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.720 -13.717 -9.494 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.047 -11.811 -7.851 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.314 -13.981 -8.950 1.00 0.00 C ATOM 0 H ILE A 54 5.024 -12.286 -11.897 1.00 0.00 H new ATOM 0 HA ILE A 54 3.260 -11.327 -9.730 1.00 0.00 H new ATOM 0 HB ILE A 54 6.146 -12.148 -9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.761 -13.983 -10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.439 -14.352 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.670 -12.472 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.410 -10.787 -7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.017 -11.863 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.062 -15.032 -9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.283 -13.737 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.594 -13.362 -9.486 1.00 0.00 H new ATOM 705 N MET A 55 3.960 -9.015 -9.638 1.00 0.00 N ATOM 706 CA MET A 55 4.303 -7.603 -9.613 1.00 0.00 C ATOM 707 C MET A 55 4.366 -7.079 -8.176 1.00 0.00 C ATOM 708 O MET A 55 3.548 -7.455 -7.338 1.00 0.00 O ATOM 709 CB MET A 55 3.257 -6.810 -10.399 1.00 0.00 C ATOM 710 CG MET A 55 3.581 -5.314 -10.388 1.00 0.00 C ATOM 711 SD MET A 55 3.321 -4.621 -12.012 1.00 0.00 S ATOM 712 CE MET A 55 3.937 -2.968 -11.745 1.00 0.00 C ATOM 0 H MET A 55 3.096 -9.253 -9.151 1.00 0.00 H new ATOM 0 HA MET A 55 5.285 -7.479 -10.069 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.219 -7.170 -11.427 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.270 -6.975 -9.967 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.951 -4.802 -9.660 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.615 -5.160 -10.079 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.848 -2.393 -12.667 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.356 -2.486 -10.959 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.984 -3.014 -11.445 1.00 0.00 H new ATOM 720 N THR A 56 5.345 -6.221 -7.935 1.00 0.00 N ATOM 721 CA THR A 56 5.526 -5.642 -6.615 1.00 0.00 C ATOM 722 C THR A 56 4.500 -4.533 -6.374 1.00 0.00 C ATOM 723 O THR A 56 4.074 -3.861 -7.312 1.00 0.00 O ATOM 724 CB THR A 56 6.975 -5.163 -6.503 1.00 0.00 C ATOM 725 OG1 THR A 56 7.710 -6.093 -7.295 1.00 0.00 O ATOM 726 CG2 THR A 56 7.544 -5.344 -5.094 1.00 0.00 C ATOM 0 H THR A 56 6.022 -5.912 -8.632 1.00 0.00 H new ATOM 0 HA THR A 56 5.351 -6.380 -5.832 1.00 0.00 H new ATOM 0 HB THR A 56 7.033 -4.112 -6.786 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.661 -5.856 -7.280 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.574 -4.989 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.946 -4.773 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.518 -6.400 -4.824 1.00 0.00 H new ATOM 734 N LEU A 57 4.132 -4.376 -5.110 1.00 0.00 N ATOM 735 CA LEU A 57 3.164 -3.361 -4.734 1.00 0.00 C ATOM 736 C LEU A 57 3.857 -2.289 -3.891 1.00 0.00 C ATOM 737 O LEU A 57 4.448 -2.593 -2.856 1.00 0.00 O ATOM 738 CB LEU A 57 1.957 -4.001 -4.045 1.00 0.00 C ATOM 739 CG LEU A 57 0.709 -4.183 -4.910 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.389 -4.920 -4.140 1.00 0.00 C ATOM 741 CD2 LEU A 57 0.221 -2.841 -5.460 1.00 0.00 C ATOM 0 H LEU A 57 4.487 -4.935 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 57 2.769 -2.864 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.257 -4.978 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.691 -3.391 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 57 0.975 -4.804 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.265 -5.036 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.026 -5.903 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.659 -4.347 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.667 -3.000 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.023 -2.175 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.005 -2.391 -6.069 1.00 0.00 H new ATOM 752 N ASN A 58 3.763 -1.055 -4.365 1.00 0.00 N ATOM 753 CA ASN A 58 4.374 0.064 -3.667 1.00 0.00 C ATOM 754 C ASN A 58 3.278 1.017 -3.184 1.00 0.00 C ATOM 755 O ASN A 58 2.128 0.911 -3.606 1.00 0.00 O ATOM 756 CB ASN A 58 5.306 0.847 -4.593 1.00 0.00 C ATOM 757 CG ASN A 58 4.711 0.968 -5.997 1.00 0.00 C ATOM 758 OD1 ASN A 58 4.838 0.088 -6.832 1.00 0.00 O ATOM 759 ND2 ASN A 58 4.056 2.106 -6.209 1.00 0.00 N ATOM 0 H ASN A 58 3.273 -0.805 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 58 4.947 -0.333 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.481 1.841 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.274 0.349 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.622 2.284 -7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.987 2.801 -5.466 1.00 0.00 H new ATOM 765 N VAL A 59 3.675 1.926 -2.307 1.00 0.00 N ATOM 766 CA VAL A 59 2.742 2.898 -1.762 1.00 0.00 C ATOM 767 C VAL A 59 2.814 4.186 -2.585 1.00 0.00 C ATOM 768 O VAL A 59 3.890 4.580 -3.034 1.00 0.00 O ATOM 769 CB VAL A 59 3.029 3.123 -0.275 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.741 1.857 0.536 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.468 3.596 -0.060 1.00 0.00 C ATOM 0 H VAL A 59 4.630 2.011 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 59 1.720 2.525 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 59 2.362 3.908 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.953 2.043 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.693 1.581 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.372 1.044 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.646 3.748 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.159 2.843 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.626 4.534 -0.592 1.00 0.00 H new ATOM 781 N GLN A 60 1.656 4.804 -2.760 1.00 0.00 N ATOM 782 CA GLN A 60 1.573 6.038 -3.522 1.00 0.00 C ATOM 783 C GLN A 60 2.055 7.217 -2.675 1.00 0.00 C ATOM 784 O GLN A 60 2.475 8.241 -3.212 1.00 0.00 O ATOM 785 CB GLN A 60 0.149 6.275 -4.031 1.00 0.00 C ATOM 786 CG GLN A 60 0.097 6.216 -5.559 1.00 0.00 C ATOM 787 CD GLN A 60 -0.936 7.201 -6.110 1.00 0.00 C ATOM 788 OE1 GLN A 60 -2.086 7.227 -5.703 1.00 0.00 O ATOM 789 NE2 GLN A 60 -0.464 8.008 -7.056 1.00 0.00 N ATOM 0 H GLN A 60 0.766 4.473 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 60 2.224 5.949 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.521 5.524 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.207 7.247 -3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.080 6.447 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.153 5.204 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.510 7.934 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.076 8.701 -7.487 1.00 0.00 H new ATOM 796 N GLU A 61 1.978 7.035 -1.365 1.00 0.00 N ATOM 797 CA GLU A 61 2.401 8.071 -0.439 1.00 0.00 C ATOM 798 C GLU A 61 2.844 7.449 0.887 1.00 0.00 C ATOM 799 O GLU A 61 2.076 6.733 1.529 1.00 0.00 O ATOM 800 CB GLU A 61 1.287 9.097 -0.218 1.00 0.00 C ATOM 801 CG GLU A 61 0.567 9.415 -1.529 1.00 0.00 C ATOM 802 CD GLU A 61 -0.561 10.424 -1.305 1.00 0.00 C ATOM 803 OE1 GLU A 61 -1.562 10.025 -0.672 1.00 0.00 O ATOM 804 OE2 GLU A 61 -0.396 11.571 -1.772 1.00 0.00 O ATOM 0 H GLU A 61 1.629 6.185 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 61 3.252 8.595 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.572 8.712 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.708 10.011 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.279 9.815 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.160 8.498 -1.956 1.00 0.00 H new ATOM 809 N ARG A 62 4.080 7.747 1.259 1.00 0.00 N ATOM 810 CA ARG A 62 4.635 7.226 2.497 1.00 0.00 C ATOM 811 C ARG A 62 3.553 7.162 3.578 1.00 0.00 C ATOM 812 O ARG A 62 2.588 7.923 3.540 1.00 0.00 O ATOM 813 CB ARG A 62 5.791 8.097 2.993 1.00 0.00 C ATOM 814 CG ARG A 62 5.301 9.500 3.359 1.00 0.00 C ATOM 815 CD ARG A 62 6.204 10.572 2.745 1.00 0.00 C ATOM 816 NE ARG A 62 5.389 11.725 2.301 1.00 0.00 N ATOM 817 CZ ARG A 62 5.894 12.821 1.718 1.00 0.00 C ATOM 818 NH1 ARG A 62 7.214 12.920 1.507 1.00 0.00 N ATOM 819 NH2 ARG A 62 5.079 13.819 1.347 1.00 0.00 N ATOM 0 H ARG A 62 4.713 8.343 0.725 1.00 0.00 H new ATOM 0 HA ARG A 62 5.012 6.223 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.255 7.631 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.557 8.165 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.278 9.635 3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.283 9.612 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.944 10.899 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.753 10.157 1.900 1.00 0.00 H new ATOM 0 HE ARG A 62 4.381 11.683 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.834 12.161 1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.598 13.754 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.075 13.744 1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.463 14.653 0.903 1.00 0.00 H new ATOM 830 N GLY A 63 3.752 6.247 4.516 1.00 0.00 N ATOM 831 CA GLY A 63 2.805 6.074 5.605 1.00 0.00 C ATOM 832 C GLY A 63 3.021 4.733 6.310 1.00 0.00 C ATOM 833 O GLY A 63 4.157 4.317 6.527 1.00 0.00 O ATOM 0 H GLY A 63 4.555 5.618 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.916 6.888 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.787 6.126 5.219 1.00 0.00 H new ATOM 837 N ARG A 64 1.910 4.095 6.649 1.00 0.00 N ATOM 838 CA ARG A 64 1.962 2.810 7.325 1.00 0.00 C ATOM 839 C ARG A 64 0.954 1.841 6.702 1.00 0.00 C ATOM 840 O ARG A 64 -0.247 2.109 6.696 1.00 0.00 O ATOM 841 CB ARG A 64 1.659 2.960 8.817 1.00 0.00 C ATOM 842 CG ARG A 64 2.938 3.238 9.610 1.00 0.00 C ATOM 843 CD ARG A 64 2.616 3.582 11.066 1.00 0.00 C ATOM 844 NE ARG A 64 3.291 2.626 11.972 1.00 0.00 N ATOM 845 CZ ARG A 64 4.584 2.698 12.312 1.00 0.00 C ATOM 846 NH1 ARG A 64 5.352 3.681 11.824 1.00 0.00 N ATOM 847 NH2 ARG A 64 5.111 1.787 13.142 1.00 0.00 N ATOM 0 H ARG A 64 0.969 4.444 6.468 1.00 0.00 H new ATOM 0 HA ARG A 64 2.971 2.415 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.949 3.773 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.186 2.051 9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.589 2.365 9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.484 4.062 9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.941 4.598 11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.538 3.549 11.227 1.00 0.00 H new ATOM 0 HE ARG A 64 2.736 1.864 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.952 4.375 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.337 3.735 12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.527 1.038 13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.096 1.842 13.401 1.00 0.00 H new ATOM 858 N VAL A 65 1.479 0.736 6.194 1.00 0.00 N ATOM 859 CA VAL A 65 0.640 -0.273 5.571 1.00 0.00 C ATOM 860 C VAL A 65 0.072 -1.196 6.651 1.00 0.00 C ATOM 861 O VAL A 65 0.747 -1.492 7.637 1.00 0.00 O ATOM 862 CB VAL A 65 1.434 -1.024 4.499 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.566 -2.082 3.816 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.026 -0.054 3.475 1.00 0.00 C ATOM 0 H VAL A 65 2.475 0.517 6.201 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.205 0.193 5.064 1.00 0.00 H new ATOM 0 HB VAL A 65 2.261 -1.536 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.154 -2.601 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.215 -2.799 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.290 -1.601 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.585 -0.613 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.221 0.499 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.694 0.644 3.979 1.00 0.00 H new ATOM 874 N LYS A 66 -1.161 -1.626 6.428 1.00 0.00 N ATOM 875 CA LYS A 66 -1.827 -2.508 7.371 1.00 0.00 C ATOM 876 C LYS A 66 -2.561 -3.609 6.601 1.00 0.00 C ATOM 877 O LYS A 66 -2.806 -3.475 5.403 1.00 0.00 O ATOM 878 CB LYS A 66 -2.731 -1.707 8.309 1.00 0.00 C ATOM 879 CG LYS A 66 -2.871 -2.404 9.664 1.00 0.00 C ATOM 880 CD LYS A 66 -4.299 -2.913 9.875 1.00 0.00 C ATOM 881 CE LYS A 66 -5.121 -1.915 10.692 1.00 0.00 C ATOM 882 NZ LYS A 66 -5.787 -0.938 9.801 1.00 0.00 N ATOM 0 H LYS A 66 -1.716 -1.380 5.608 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.097 -2.999 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.319 -0.708 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.715 -1.585 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.172 -3.238 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.607 -1.711 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.776 -3.078 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.274 -3.875 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.868 -2.447 11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.474 -1.392 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.341 -0.268 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.069 -0.418 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.420 -1.440 9.147 1.00 0.00 H new ATOM 892 N TYR A 67 -2.890 -4.671 7.320 1.00 0.00 N ATOM 893 CA TYR A 67 -3.591 -5.794 6.720 1.00 0.00 C ATOM 894 C TYR A 67 -5.094 -5.526 6.647 1.00 0.00 C ATOM 895 O TYR A 67 -5.713 -5.165 7.647 1.00 0.00 O ATOM 896 CB TYR A 67 -3.341 -6.989 7.643 1.00 0.00 C ATOM 897 CG TYR A 67 -4.511 -7.972 7.716 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.871 -8.699 6.600 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.204 -8.132 8.898 1.00 0.00 C ATOM 900 CE1 TYR A 67 -5.972 -9.626 6.669 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.305 -9.059 8.968 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.634 -9.759 7.850 1.00 0.00 C ATOM 903 OH TYR A 67 -7.674 -10.634 7.914 1.00 0.00 O ATOM 0 H TYR A 67 -2.684 -4.778 8.313 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.237 -5.969 5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.453 -7.521 7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.125 -6.622 8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.328 -8.573 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.921 -7.562 9.771 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.265 -10.202 5.803 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.856 -9.194 9.887 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.053 -10.627 8.818 1.00 0.00 H new ATOM 912 N ILE A 68 -5.640 -5.713 5.454 1.00 0.00 N ATOM 913 CA ILE A 68 -7.060 -5.496 5.238 1.00 0.00 C ATOM 914 C ILE A 68 -7.673 -6.749 4.611 1.00 0.00 C ATOM 915 O ILE A 68 -8.447 -7.456 5.255 1.00 0.00 O ATOM 916 CB ILE A 68 -7.289 -4.224 4.419 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.908 -2.979 5.223 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.729 -4.155 3.904 1.00 0.00 C ATOM 919 CD1 ILE A 68 -8.103 -2.456 6.024 1.00 0.00 C ATOM 0 H ILE A 68 -5.124 -6.013 4.627 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.569 -5.332 6.188 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.636 -4.257 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.088 -3.216 5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.550 -2.202 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.865 -3.241 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.931 -5.019 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.418 -4.155 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.805 -1.571 6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.913 -2.197 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.443 -3.227 6.715 1.00 0.00 H new ATOM 930 N LYS A 69 -7.305 -6.988 3.361 1.00 0.00 N ATOM 931 CA LYS A 69 -7.809 -8.144 2.640 1.00 0.00 C ATOM 932 C LYS A 69 -6.848 -9.319 2.832 1.00 0.00 C ATOM 933 O LYS A 69 -5.638 -9.168 2.674 1.00 0.00 O ATOM 934 CB LYS A 69 -8.062 -7.791 1.172 1.00 0.00 C ATOM 935 CG LYS A 69 -8.780 -6.446 1.047 1.00 0.00 C ATOM 936 CD LYS A 69 -10.231 -6.552 1.521 1.00 0.00 C ATOM 937 CE LYS A 69 -11.154 -6.964 0.373 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.143 -7.963 0.836 1.00 0.00 N ATOM 0 H LYS A 69 -6.663 -6.400 2.829 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.774 -8.452 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.114 -7.752 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.662 -8.572 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.255 -5.694 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.756 -6.112 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.301 -7.281 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.555 -5.594 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.670 -6.088 -0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.564 -7.379 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.762 -8.232 0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.646 -8.806 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.717 -7.554 1.601 1.00 0.00 H new ATOM 948 N ARG A 70 -7.424 -10.464 3.171 1.00 0.00 N ATOM 949 CA ARG A 70 -6.634 -11.664 3.387 1.00 0.00 C ATOM 950 C ARG A 70 -5.794 -11.976 2.148 1.00 0.00 C ATOM 951 O ARG A 70 -6.205 -11.688 1.025 1.00 0.00 O ATOM 952 CB ARG A 70 -7.530 -12.863 3.703 1.00 0.00 C ATOM 953 CG ARG A 70 -7.592 -13.119 5.210 1.00 0.00 C ATOM 954 CD ARG A 70 -7.168 -14.551 5.542 1.00 0.00 C ATOM 955 NE ARG A 70 -8.363 -15.408 5.704 1.00 0.00 N ATOM 956 CZ ARG A 70 -8.344 -16.746 5.623 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.193 -17.387 5.381 1.00 0.00 N ATOM 958 NH2 ARG A 70 -9.477 -17.443 5.783 1.00 0.00 N ATOM 0 H ARG A 70 -8.428 -10.585 3.301 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.978 -11.481 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.534 -12.682 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.150 -13.749 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.942 -12.414 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.605 -12.943 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.533 -14.944 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.576 -14.561 6.457 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.257 -14.953 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.330 -16.857 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.179 -18.405 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.354 -16.956 5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.463 -18.461 5.721 1.00 0.00 H new ATOM 969 N PRO A 71 -4.600 -12.576 2.399 1.00 0.00 N ATOM 970 CA PRO A 71 -3.697 -12.931 1.318 1.00 0.00 C ATOM 971 C PRO A 71 -4.199 -14.167 0.568 1.00 0.00 C ATOM 972 O PRO A 71 -4.511 -15.186 1.181 1.00 0.00 O ATOM 973 CB PRO A 71 -2.349 -13.149 1.985 1.00 0.00 C ATOM 974 CG PRO A 71 -2.644 -13.364 3.460 1.00 0.00 C ATOM 975 CD PRO A 71 -4.079 -12.932 3.717 1.00 0.00 C ATOM 0 HA PRO A 71 -3.628 -12.154 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.838 -14.012 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.697 -12.288 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.507 -14.412 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.955 -12.785 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.660 -13.736 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.121 -12.085 4.402 1.00 0.00 H new ATOM 980 N GLY A 72 -4.263 -14.034 -0.749 1.00 0.00 N ATOM 981 CA GLY A 72 -4.722 -15.128 -1.590 1.00 0.00 C ATOM 982 C GLY A 72 -6.038 -14.770 -2.283 1.00 0.00 C ATOM 983 O GLY A 72 -6.599 -15.584 -3.016 1.00 0.00 O ATOM 0 H GLY A 72 -4.005 -13.186 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.964 -15.359 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.857 -16.025 -0.985 1.00 0.00 H new ATOM 987 N ALA A 73 -6.494 -13.552 -2.028 1.00 0.00 N ATOM 988 CA ALA A 73 -7.733 -13.077 -2.618 1.00 0.00 C ATOM 989 C ALA A 73 -7.509 -12.794 -4.105 1.00 0.00 C ATOM 990 O ALA A 73 -6.391 -12.919 -4.603 1.00 0.00 O ATOM 991 CB ALA A 73 -8.221 -11.842 -1.857 1.00 0.00 C ATOM 0 H ALA A 73 -6.026 -12.880 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.511 -13.837 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.151 -11.486 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.393 -12.103 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.467 -11.057 -1.916 1.00 0.00 H new ATOM 997 N VAL A 74 -8.589 -12.419 -4.773 1.00 0.00 N ATOM 998 CA VAL A 74 -8.525 -12.117 -6.194 1.00 0.00 C ATOM 999 C VAL A 74 -8.427 -10.603 -6.385 1.00 0.00 C ATOM 1000 O VAL A 74 -9.413 -9.887 -6.211 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.724 -12.736 -6.914 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.026 -12.438 -6.168 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.801 -12.252 -8.363 1.00 0.00 C ATOM 0 H VAL A 74 -9.515 -12.317 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.633 -12.558 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.585 -13.817 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.862 -12.890 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.971 -12.852 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.173 -11.360 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.662 -12.707 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.905 -11.167 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.891 -12.537 -8.891 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.231 -10.159 -6.741 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.992 -8.742 -6.958 1.00 0.00 C ATOM 1015 C LEU A 75 -7.768 -8.282 -8.194 1.00 0.00 C ATOM 1016 O LEU A 75 -7.706 -8.922 -9.243 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.491 -8.457 -7.033 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.940 -7.488 -5.984 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.144 -6.036 -6.421 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.548 -7.764 -4.608 1.00 0.00 C ATOM 0 H LEU A 75 -6.416 -10.756 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.361 -8.160 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.957 -9.403 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.266 -8.058 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.866 -7.651 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.744 -5.367 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.625 -5.863 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.208 -5.842 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.139 -7.061 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.630 -7.645 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.308 -8.782 -4.302 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.480 -7.178 -8.030 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.266 -6.625 -9.119 1.00 0.00 C ATOM 1033 C GLU A 76 -8.876 -5.167 -9.369 1.00 0.00 C ATOM 1034 O GLU A 76 -8.426 -4.475 -8.457 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.764 -6.750 -8.834 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.342 -8.012 -9.476 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.695 -7.726 -10.129 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.875 -6.573 -10.579 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.518 -8.665 -10.165 1.00 0.00 O ATOM 0 H GLU A 76 -8.529 -6.651 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.052 -7.198 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.932 -6.776 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.285 -5.872 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.647 -8.395 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.456 -8.789 -8.720 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.061 -4.743 -10.611 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.734 -3.379 -10.993 1.00 0.00 C ATOM 1046 C ALA A 77 -9.640 -2.409 -10.232 1.00 0.00 C ATOM 1047 O ALA A 77 -10.862 -2.471 -10.354 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.863 -3.229 -12.510 1.00 0.00 C ATOM 0 H ALA A 77 -9.433 -5.320 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.703 -3.143 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.618 -2.206 -12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.178 -3.918 -13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.885 -3.455 -12.812 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.005 -1.538 -9.461 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.738 -0.556 -8.681 1.00 0.00 C ATOM 1056 C GLY A 78 -10.407 -1.208 -7.469 1.00 0.00 C ATOM 1057 O GLY A 78 -11.618 -1.095 -7.287 1.00 0.00 O ATOM 0 H GLY A 78 -7.991 -1.492 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.059 0.229 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.494 -0.080 -9.306 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.588 -1.877 -6.670 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.084 -2.548 -5.480 1.00 0.00 C ATOM 1063 C CYS A 79 -9.219 -2.122 -4.292 1.00 0.00 C ATOM 1064 O CYS A 79 -8.203 -1.450 -4.469 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.105 -4.067 -5.655 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.739 -4.601 -6.285 1.00 0.00 S ATOM 0 H CYS A 79 -8.584 -1.969 -6.824 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.118 -2.255 -5.298 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.321 -4.373 -6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.896 -4.554 -4.703 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.327 -3.600 -6.870 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.652 -2.531 -3.110 1.00 0.00 N ATOM 1072 CA VAL A 80 -8.928 -2.201 -1.893 1.00 0.00 C ATOM 1073 C VAL A 80 -7.959 -3.336 -1.556 1.00 0.00 C ATOM 1074 O VAL A 80 -8.293 -4.509 -1.717 1.00 0.00 O ATOM 1075 CB VAL A 80 -9.915 -1.902 -0.763 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.682 -3.162 -0.357 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.201 -1.283 0.440 1.00 0.00 C ATOM 0 H VAL A 80 -10.495 -3.088 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.333 -1.299 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.638 -1.175 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.377 -2.922 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.237 -3.542 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.979 -3.921 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.926 -1.080 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.445 -1.976 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.722 -0.351 0.139 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.780 -2.947 -1.095 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.761 -3.918 -0.734 1.00 0.00 C ATOM 1089 C VAL A 81 -5.407 -3.753 0.745 1.00 0.00 C ATOM 1090 O VAL A 81 -5.474 -4.712 1.513 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.550 -3.772 -1.658 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.532 -4.887 -1.408 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -4.980 -3.742 -3.126 1.00 0.00 C ATOM 0 H VAL A 81 -6.507 -1.973 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.135 -4.933 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.068 -2.821 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.681 -4.760 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.190 -4.842 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.999 -5.854 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.100 -3.638 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.497 -4.669 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.649 -2.898 -3.292 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.040 -2.531 1.101 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.677 -2.229 2.475 1.00 0.00 C ATOM 1105 C ALA A 82 -4.958 -0.752 2.759 1.00 0.00 C ATOM 1106 O ALA A 82 -5.475 -0.038 1.902 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.210 -2.599 2.708 1.00 0.00 C ATOM 0 H ALA A 82 -4.986 -1.738 0.462 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.276 -2.818 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.937 -2.373 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.069 -3.663 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.578 -2.025 2.031 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.602 -0.338 3.967 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.810 1.041 4.375 1.00 0.00 C ATOM 1115 C ARG A 83 -3.466 1.748 4.560 1.00 0.00 C ATOM 1116 O ARG A 83 -2.479 1.121 4.941 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.601 1.115 5.683 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.105 0.992 5.421 1.00 0.00 C ATOM 1119 CD ARG A 83 -7.781 2.364 5.462 1.00 0.00 C ATOM 1120 NE ARG A 83 -8.615 2.481 6.679 1.00 0.00 N ATOM 1121 CZ ARG A 83 -9.861 2.001 6.786 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -10.427 1.369 5.748 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -10.543 2.154 7.930 1.00 0.00 N ATOM 0 H ARG A 83 -4.172 -0.933 4.675 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.381 1.537 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.278 0.318 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.392 2.059 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.272 0.529 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.556 0.338 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.027 3.151 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.398 2.501 4.574 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.216 2.957 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.909 1.254 4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.376 1.003 5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.113 2.636 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.492 1.788 8.011 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.471 3.043 4.282 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.264 3.842 4.413 1.00 0.00 C ATOM 1136 C LEU A 84 -2.536 5.018 5.354 1.00 0.00 C ATOM 1137 O LEU A 84 -3.336 5.898 5.039 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.749 4.263 3.036 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.358 3.750 2.655 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.007 4.134 1.216 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.697 4.234 3.651 1.00 0.00 C ATOM 0 H LEU A 84 -4.292 3.559 3.966 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.464 3.253 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.460 3.920 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.738 5.352 2.991 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.371 2.661 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.986 3.757 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.738 3.699 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.018 5.219 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.676 3.855 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.717 5.324 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.451 3.868 4.648 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.854 4.995 6.490 1.00 0.00 N ATOM 1153 CA GLU A 85 -2.012 6.048 7.478 1.00 0.00 C ATOM 1154 C GLU A 85 -0.871 7.061 7.361 1.00 0.00 C ATOM 1155 O GLU A 85 0.254 6.784 7.774 1.00 0.00 O ATOM 1156 CB GLU A 85 -2.087 5.467 8.892 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.293 6.023 9.650 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.897 7.235 10.497 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.656 8.299 9.888 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -2.843 7.068 11.735 1.00 0.00 O ATOM 0 H GLU A 85 -1.191 4.264 6.748 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.952 6.564 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.156 4.380 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.172 5.703 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.072 6.308 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.713 5.248 10.291 1.00 0.00 H new