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 30:sc= -3.74! 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= 0.103 USER MOD Single : A 30 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 136:sc= 0.188 USER MOD Single : A 38 HIS : no HD1:sc= -3.23! K(o=-3.2!,f=-1.5) USER MOD Single : A 43 SER OG : rot 77:sc= 1.09 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 -130:sc= -1.93 (180deg=-3.56) 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= 0.00597 USER MOD Single : A 58 ASN : amide:sc= 0.293 K(o=0.29,f=-2.8!) USER MOD Single : A 60 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.17) 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 26:sc= -0.193 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.342 4.814 1.343 1.00 0.00 N ATOM 215 CA VAL A 19 -6.875 3.561 0.834 1.00 0.00 C ATOM 216 C VAL A 19 -6.057 3.121 -0.381 1.00 0.00 C ATOM 217 O VAL A 19 -6.248 3.635 -1.482 1.00 0.00 O ATOM 218 CB VAL A 19 -8.366 3.713 0.528 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.591 4.676 -0.640 1.00 0.00 C ATOM 220 CG2 VAL A 19 -9.010 2.354 0.250 1.00 0.00 C ATOM 0 HA VAL A 19 -6.790 2.776 1.585 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.847 4.137 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.659 4.766 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.185 5.655 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.089 4.293 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.070 2.491 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.523 1.889 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.897 1.712 1.124 1.00 0.00 H new ATOM 230 N LEU A 20 -5.163 2.172 -0.140 1.00 0.00 N ATOM 231 CA LEU A 20 -4.315 1.657 -1.202 1.00 0.00 C ATOM 232 C LEU A 20 -5.145 0.754 -2.118 1.00 0.00 C ATOM 233 O LEU A 20 -5.183 -0.461 -1.929 1.00 0.00 O ATOM 234 CB LEU A 20 -3.081 0.969 -0.615 1.00 0.00 C ATOM 235 CG LEU A 20 -2.066 1.886 0.073 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.220 1.106 1.081 1.00 0.00 C ATOM 237 CD2 LEU A 20 -1.203 2.618 -0.956 1.00 0.00 C ATOM 0 H LEU A 20 -5.008 1.747 0.774 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.935 2.473 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.414 0.223 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.572 0.433 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.614 2.645 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.507 1.780 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.869 0.670 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.680 0.311 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.491 3.263 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.662 1.890 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.840 3.224 -1.600 1.00 0.00 H new ATOM 248 N ARG A 21 -5.787 1.383 -3.091 1.00 0.00 N ATOM 249 CA ARG A 21 -6.613 0.651 -4.036 1.00 0.00 C ATOM 250 C ARG A 21 -5.736 -0.076 -5.056 1.00 0.00 C ATOM 251 O ARG A 21 -4.578 0.289 -5.257 1.00 0.00 O ATOM 252 CB ARG A 21 -7.570 1.591 -4.774 1.00 0.00 C ATOM 253 CG ARG A 21 -8.823 1.863 -3.941 1.00 0.00 C ATOM 254 CD ARG A 21 -10.071 1.300 -4.627 1.00 0.00 C ATOM 255 NE ARG A 21 -10.893 0.554 -3.649 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.614 1.132 -2.678 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.618 2.465 -2.549 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.332 0.375 -1.836 1.00 0.00 N ATOM 0 H ARG A 21 -5.752 2.391 -3.245 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.198 -0.076 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.064 2.531 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.853 1.150 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.712 1.414 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.939 2.936 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.655 2.112 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.780 0.643 -5.447 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.912 -0.463 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.072 3.041 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.167 2.904 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.329 -0.640 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.881 0.814 -1.097 1.00 0.00 H new ATOM 269 N SER A 22 -6.319 -1.092 -5.675 1.00 0.00 N ATOM 270 CA SER A 22 -5.605 -1.875 -6.669 1.00 0.00 C ATOM 271 C SER A 22 -5.585 -1.129 -8.005 1.00 0.00 C ATOM 272 O SER A 22 -6.632 -0.899 -8.608 1.00 0.00 O ATOM 273 CB SER A 22 -6.238 -3.256 -6.842 1.00 0.00 C ATOM 274 OG SER A 22 -5.694 -3.957 -7.957 1.00 0.00 O ATOM 0 H SER A 22 -7.279 -1.391 -5.507 1.00 0.00 H new ATOM 0 HA SER A 22 -4.581 -2.016 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.084 -3.841 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.315 -3.147 -6.972 1.00 0.00 H new ATOM 0 HG SER A 22 -4.764 -3.681 -8.095 1.00 0.00 H new ATOM 279 N PRO A 23 -4.350 -0.763 -8.441 1.00 0.00 N ATOM 280 CA PRO A 23 -4.180 -0.048 -9.694 1.00 0.00 C ATOM 281 C PRO A 23 -4.361 -0.987 -10.889 1.00 0.00 C ATOM 282 O PRO A 23 -4.557 -0.532 -12.015 1.00 0.00 O ATOM 283 CB PRO A 23 -2.787 0.555 -9.618 1.00 0.00 C ATOM 284 CG PRO A 23 -2.055 -0.224 -8.537 1.00 0.00 C ATOM 285 CD PRO A 23 -3.088 -1.017 -7.754 1.00 0.00 C ATOM 0 HA PRO A 23 -4.929 0.731 -9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.273 0.472 -10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.833 1.616 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.317 -0.892 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.514 0.455 -7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.848 -2.080 -7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.131 -0.693 -6.714 1.00 0.00 H new ATOM 290 N SER A 24 -4.288 -2.278 -10.603 1.00 0.00 N ATOM 291 CA SER A 24 -4.441 -3.284 -11.639 1.00 0.00 C ATOM 292 C SER A 24 -4.831 -4.625 -11.013 1.00 0.00 C ATOM 293 O SER A 24 -4.501 -4.895 -9.860 1.00 0.00 O ATOM 294 CB SER A 24 -3.155 -3.434 -12.455 1.00 0.00 C ATOM 295 OG SER A 24 -3.423 -3.617 -13.843 1.00 0.00 O ATOM 0 H SER A 24 -4.125 -2.651 -9.668 1.00 0.00 H new ATOM 0 HA SER A 24 -5.233 -2.961 -12.315 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.534 -2.549 -12.319 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.585 -4.284 -12.080 1.00 0.00 H new ATOM 0 HG SER A 24 -2.578 -3.707 -14.330 1.00 0.00 H new ATOM 300 N ALA A 25 -5.527 -5.429 -11.803 1.00 0.00 N ATOM 301 CA ALA A 25 -5.966 -6.736 -11.341 1.00 0.00 C ATOM 302 C ALA A 25 -4.742 -7.600 -11.031 1.00 0.00 C ATOM 303 O ALA A 25 -3.620 -7.246 -11.392 1.00 0.00 O ATOM 304 CB ALA A 25 -6.876 -7.370 -12.395 1.00 0.00 C ATOM 0 H ALA A 25 -5.798 -5.201 -12.760 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.545 -6.644 -10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.205 -8.350 -12.049 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.744 -6.732 -12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.327 -7.481 -13.330 1.00 0.00 H new ATOM 310 N GLY A 26 -4.998 -8.716 -10.366 1.00 0.00 N ATOM 311 CA GLY A 26 -3.932 -9.633 -10.003 1.00 0.00 C ATOM 312 C GLY A 26 -4.401 -10.626 -8.938 1.00 0.00 C ATOM 313 O GLY A 26 -5.587 -10.943 -8.858 1.00 0.00 O ATOM 0 H GLY A 26 -5.930 -9.006 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.597 -10.175 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.076 -9.071 -9.629 1.00 0.00 H new ATOM 317 N LYS A 27 -3.446 -11.090 -8.145 1.00 0.00 N ATOM 318 CA LYS A 27 -3.746 -12.040 -7.087 1.00 0.00 C ATOM 319 C LYS A 27 -2.818 -11.784 -5.898 1.00 0.00 C ATOM 320 O LYS A 27 -1.616 -12.036 -5.979 1.00 0.00 O ATOM 321 CB LYS A 27 -3.682 -13.472 -7.621 1.00 0.00 C ATOM 322 CG LYS A 27 -4.485 -14.425 -6.732 1.00 0.00 C ATOM 323 CD LYS A 27 -4.977 -15.635 -7.529 1.00 0.00 C ATOM 324 CE LYS A 27 -5.711 -16.626 -6.623 1.00 0.00 C ATOM 325 NZ LYS A 27 -4.764 -17.621 -6.070 1.00 0.00 N ATOM 0 H LYS A 27 -2.463 -10.825 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.766 -11.903 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.072 -13.502 -8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.644 -13.801 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.866 -14.760 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.337 -13.897 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.642 -15.304 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.131 -16.130 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.201 -16.091 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.493 -17.134 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.278 -18.286 -5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.315 -18.144 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.033 -17.133 -5.514 1.00 0.00 H new ATOM 335 N LEU A 28 -3.410 -11.287 -4.823 1.00 0.00 N ATOM 336 CA LEU A 28 -2.650 -10.995 -3.618 1.00 0.00 C ATOM 337 C LEU A 28 -1.893 -12.249 -3.180 1.00 0.00 C ATOM 338 O LEU A 28 -2.347 -13.367 -3.419 1.00 0.00 O ATOM 339 CB LEU A 28 -3.564 -10.417 -2.535 1.00 0.00 C ATOM 340 CG LEU A 28 -2.866 -9.873 -1.288 1.00 0.00 C ATOM 341 CD1 LEU A 28 -1.829 -8.812 -1.660 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.884 -9.348 -0.274 1.00 0.00 C ATOM 0 H LEU A 28 -4.407 -11.079 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.903 -10.226 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.154 -9.614 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.264 -11.193 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.331 -10.694 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.347 -8.441 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.078 -9.251 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.322 -7.986 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.361 -8.967 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.467 -8.545 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.551 -10.157 0.024 1.00 0.00 H new ATOM 353 N THR A 29 -0.751 -12.022 -2.548 1.00 0.00 N ATOM 354 CA THR A 29 0.073 -13.121 -2.074 1.00 0.00 C ATOM 355 C THR A 29 0.419 -12.929 -0.596 1.00 0.00 C ATOM 356 O THR A 29 -0.107 -13.633 0.266 1.00 0.00 O ATOM 357 CB THR A 29 1.302 -13.214 -2.979 1.00 0.00 C ATOM 358 OG1 THR A 29 1.658 -11.856 -3.222 1.00 0.00 O ATOM 359 CG2 THR A 29 0.967 -13.766 -4.366 1.00 0.00 C ATOM 0 H THR A 29 -0.377 -11.093 -2.353 1.00 0.00 H new ATOM 0 HA THR A 29 -0.462 -14.069 -2.129 1.00 0.00 H new ATOM 0 HB THR A 29 2.053 -13.848 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.448 -11.824 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.874 -13.811 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.546 -14.767 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.241 -13.114 -4.852 1.00 0.00 H new ATOM 367 N GLN A 30 1.302 -11.972 -0.347 1.00 0.00 N ATOM 368 CA GLN A 30 1.724 -11.679 1.011 1.00 0.00 C ATOM 369 C GLN A 30 2.287 -10.258 1.097 1.00 0.00 C ATOM 370 O GLN A 30 2.235 -9.507 0.124 1.00 0.00 O ATOM 371 CB GLN A 30 2.750 -12.705 1.500 1.00 0.00 C ATOM 372 CG GLN A 30 3.953 -12.769 0.556 1.00 0.00 C ATOM 373 CD GLN A 30 5.189 -13.308 1.280 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.171 -14.362 1.895 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.261 -12.528 1.173 1.00 0.00 N ATOM 0 H GLN A 30 1.736 -11.390 -1.064 1.00 0.00 H new ATOM 0 HA GLN A 30 0.853 -11.745 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.084 -12.441 2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.283 -13.688 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.718 -13.408 -0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.163 -11.775 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.208 -11.658 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.136 -12.800 1.621 1.00 0.00 H new ATOM 382 N TYR A 31 2.809 -9.933 2.270 1.00 0.00 N ATOM 383 CA TYR A 31 3.380 -8.616 2.495 1.00 0.00 C ATOM 384 C TYR A 31 4.890 -8.704 2.725 1.00 0.00 C ATOM 385 O TYR A 31 5.429 -9.793 2.920 1.00 0.00 O ATOM 386 CB TYR A 31 2.714 -8.079 3.764 1.00 0.00 C ATOM 387 CG TYR A 31 2.518 -9.132 4.857 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.588 -9.527 5.634 1.00 0.00 C ATOM 389 CD2 TYR A 31 1.271 -9.686 5.065 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.403 -10.518 6.662 1.00 0.00 C ATOM 391 CE2 TYR A 31 1.086 -10.677 6.094 1.00 0.00 C ATOM 392 CZ TYR A 31 2.161 -11.044 6.842 1.00 0.00 C ATOM 393 OH TYR A 31 1.988 -11.980 7.813 1.00 0.00 O ATOM 0 H TYR A 31 2.849 -10.559 3.075 1.00 0.00 H new ATOM 0 HA TYR A 31 3.214 -7.973 1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.319 -7.265 4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.744 -7.657 3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.563 -9.093 5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.434 -9.377 4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.232 -10.837 7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.116 -11.118 6.268 1.00 0.00 H new ATOM 0 HH TYR A 31 1.051 -12.266 7.829 1.00 0.00 H new ATOM 402 N THR A 32 5.530 -7.544 2.694 1.00 0.00 N ATOM 403 CA THR A 32 6.967 -7.477 2.896 1.00 0.00 C ATOM 404 C THR A 32 7.296 -6.583 4.094 1.00 0.00 C ATOM 405 O THR A 32 8.463 -6.296 4.357 1.00 0.00 O ATOM 406 CB THR A 32 7.607 -7.003 1.589 1.00 0.00 C ATOM 407 OG1 THR A 32 6.977 -5.752 1.329 1.00 0.00 O ATOM 408 CG2 THR A 32 7.213 -7.874 0.395 1.00 0.00 C ATOM 0 H THR A 32 5.080 -6.643 2.532 1.00 0.00 H new ATOM 0 HA THR A 32 7.379 -8.457 3.139 1.00 0.00 H new ATOM 0 HB THR A 32 8.692 -7.002 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.652 -5.097 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.694 -7.495 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.533 -8.901 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.131 -7.848 0.267 1.00 0.00 H new ATOM 416 N VAL A 33 6.246 -6.167 4.786 1.00 0.00 N ATOM 417 CA VAL A 33 6.409 -5.311 5.949 1.00 0.00 C ATOM 418 C VAL A 33 5.705 -5.948 7.149 1.00 0.00 C ATOM 419 O VAL A 33 4.874 -6.840 6.983 1.00 0.00 O ATOM 420 CB VAL A 33 5.901 -3.902 5.637 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.468 -3.395 4.310 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.371 -3.859 5.631 1.00 0.00 C ATOM 0 H VAL A 33 5.280 -6.406 4.564 1.00 0.00 H new ATOM 0 HA VAL A 33 7.464 -5.213 6.206 1.00 0.00 H new ATOM 0 HB VAL A 33 6.252 -3.238 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.091 -2.392 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.556 -3.369 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.162 -4.063 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.036 -2.846 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.991 -4.543 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.995 -4.157 6.610 1.00 0.00 H new ATOM 432 N GLU A 34 6.063 -5.466 8.330 1.00 0.00 N ATOM 433 CA GLU A 34 5.475 -5.977 9.556 1.00 0.00 C ATOM 434 C GLU A 34 4.247 -5.151 9.942 1.00 0.00 C ATOM 435 O GLU A 34 3.893 -4.199 9.247 1.00 0.00 O ATOM 436 CB GLU A 34 6.503 -5.995 10.690 1.00 0.00 C ATOM 437 CG GLU A 34 7.154 -4.621 10.861 1.00 0.00 C ATOM 438 CD GLU A 34 7.066 -4.149 12.313 1.00 0.00 C ATOM 439 OE1 GLU A 34 7.579 -4.886 13.182 1.00 0.00 O ATOM 440 OE2 GLU A 34 6.485 -3.061 12.521 1.00 0.00 O ATOM 0 H GLU A 34 6.753 -4.727 8.464 1.00 0.00 H new ATOM 0 HA GLU A 34 5.156 -7.005 9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.018 -6.290 11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.269 -6.741 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.199 -4.669 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.663 -3.898 10.210 1.00 0.00 H new ATOM 445 N ASP A 35 3.632 -5.543 11.048 1.00 0.00 N ATOM 446 CA ASP A 35 2.452 -4.850 11.534 1.00 0.00 C ATOM 447 C ASP A 35 2.705 -3.341 11.508 1.00 0.00 C ATOM 448 O ASP A 35 3.671 -2.860 12.097 1.00 0.00 O ATOM 449 CB ASP A 35 2.133 -5.252 12.975 1.00 0.00 C ATOM 450 CG ASP A 35 0.700 -5.736 13.210 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.214 -4.894 13.075 1.00 0.00 O ATOM 452 OD2 ASP A 35 0.551 -6.939 13.516 1.00 0.00 O ATOM 0 H ASP A 35 3.929 -6.332 11.622 1.00 0.00 H new ATOM 0 HA ASP A 35 1.614 -5.118 10.891 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.821 -6.042 13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.323 -4.398 13.625 1.00 0.00 H new ATOM 456 N GLY A 36 1.819 -2.637 10.819 1.00 0.00 N ATOM 457 CA GLY A 36 1.934 -1.192 10.709 1.00 0.00 C ATOM 458 C GLY A 36 3.287 -0.794 10.117 1.00 0.00 C ATOM 459 O GLY A 36 3.871 0.212 10.515 1.00 0.00 O ATOM 0 H GLY A 36 1.019 -3.040 10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.131 -0.806 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.816 -0.738 11.693 1.00 0.00 H new ATOM 463 N GLY A 37 3.745 -1.604 9.173 1.00 0.00 N ATOM 464 CA GLY A 37 5.018 -1.348 8.522 1.00 0.00 C ATOM 465 C GLY A 37 5.055 0.060 7.924 1.00 0.00 C ATOM 466 O GLY A 37 4.168 0.437 7.158 1.00 0.00 O ATOM 0 H GLY A 37 3.257 -2.437 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.828 -1.462 9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.183 -2.085 7.736 1.00 0.00 H new ATOM 470 N HIS A 38 6.090 0.799 8.295 1.00 0.00 N ATOM 471 CA HIS A 38 6.254 2.157 7.805 1.00 0.00 C ATOM 472 C HIS A 38 7.328 2.183 6.715 1.00 0.00 C ATOM 473 O HIS A 38 8.476 1.818 6.960 1.00 0.00 O ATOM 474 CB HIS A 38 6.557 3.118 8.958 1.00 0.00 C ATOM 475 CG HIS A 38 6.455 4.576 8.584 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.450 5.592 9.524 1.00 0.00 N ATOM 477 CD2 HIS A 38 6.356 5.180 7.365 1.00 0.00 C ATOM 478 CE1 HIS A 38 6.350 6.751 8.887 1.00 0.00 C ATOM 479 NE2 HIS A 38 6.292 6.493 7.549 1.00 0.00 N ATOM 0 H HIS A 38 6.824 0.483 8.929 1.00 0.00 H new ATOM 0 HA HIS A 38 5.322 2.501 7.357 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.868 2.915 9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.562 2.918 9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.333 4.675 6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.320 7.728 9.347 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.213 7.193 6.812 1.00 0.00 H new ATOM 486 N VAL A 39 6.915 2.620 5.534 1.00 0.00 N ATOM 487 CA VAL A 39 7.826 2.699 4.405 1.00 0.00 C ATOM 488 C VAL A 39 7.680 4.065 3.732 1.00 0.00 C ATOM 489 O VAL A 39 6.838 4.869 4.127 1.00 0.00 O ATOM 490 CB VAL A 39 7.577 1.531 3.449 1.00 0.00 C ATOM 491 CG1 VAL A 39 8.135 0.226 4.020 1.00 0.00 C ATOM 492 CG2 VAL A 39 6.088 1.395 3.126 1.00 0.00 C ATOM 0 H VAL A 39 5.962 2.923 5.335 1.00 0.00 H new ATOM 0 HA VAL A 39 8.859 2.611 4.741 1.00 0.00 H new ATOM 0 HB VAL A 39 8.104 1.742 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.945 -0.588 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.209 0.327 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.649 0.008 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.939 0.557 2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.531 1.218 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.732 2.312 2.657 1.00 0.00 H new ATOM 502 N GLU A 40 8.513 4.285 2.726 1.00 0.00 N ATOM 503 CA GLU A 40 8.488 5.540 1.994 1.00 0.00 C ATOM 504 C GLU A 40 7.788 5.354 0.646 1.00 0.00 C ATOM 505 O GLU A 40 7.735 4.244 0.118 1.00 0.00 O ATOM 506 CB GLU A 40 9.901 6.093 1.805 1.00 0.00 C ATOM 507 CG GLU A 40 10.439 6.679 3.112 1.00 0.00 C ATOM 508 CD GLU A 40 11.514 7.733 2.839 1.00 0.00 C ATOM 509 OE1 GLU A 40 11.126 8.910 2.673 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.700 7.339 2.802 1.00 0.00 O ATOM 0 H GLU A 40 9.210 3.615 2.400 1.00 0.00 H new ATOM 0 HA GLU A 40 7.924 6.267 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.563 5.299 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.894 6.862 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.622 7.126 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.855 5.882 3.728 1.00 0.00 H new ATOM 515 N ALA A 41 7.266 6.457 0.129 1.00 0.00 N ATOM 516 CA ALA A 41 6.572 6.429 -1.148 1.00 0.00 C ATOM 517 C ALA A 41 7.505 5.859 -2.218 1.00 0.00 C ATOM 518 O ALA A 41 8.463 6.514 -2.624 1.00 0.00 O ATOM 519 CB ALA A 41 6.081 7.836 -1.491 1.00 0.00 C ATOM 0 H ALA A 41 7.310 7.375 0.571 1.00 0.00 H new ATOM 0 HA ALA A 41 5.697 5.782 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.560 7.816 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.399 8.183 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.933 8.513 -1.555 1.00 0.00 H new ATOM 525 N GLY A 42 7.189 4.645 -2.646 1.00 0.00 N ATOM 526 CA GLY A 42 7.986 3.979 -3.662 1.00 0.00 C ATOM 527 C GLY A 42 8.367 2.565 -3.222 1.00 0.00 C ATOM 528 O GLY A 42 8.501 1.667 -4.052 1.00 0.00 O ATOM 0 H GLY A 42 6.392 4.106 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.426 3.934 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.888 4.558 -3.858 1.00 0.00 H new ATOM 532 N SER A 43 8.527 2.408 -1.916 1.00 0.00 N ATOM 533 CA SER A 43 8.888 1.118 -1.354 1.00 0.00 C ATOM 534 C SER A 43 7.757 0.113 -1.583 1.00 0.00 C ATOM 535 O SER A 43 6.631 0.501 -1.892 1.00 0.00 O ATOM 536 CB SER A 43 9.202 1.235 0.138 1.00 0.00 C ATOM 537 OG SER A 43 9.419 2.586 0.535 1.00 0.00 O ATOM 0 H SER A 43 8.413 3.154 -1.230 1.00 0.00 H new ATOM 0 HA SER A 43 9.787 0.764 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.378 0.816 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.087 0.643 0.369 1.00 0.00 H new ATOM 0 HG SER A 43 8.558 3.048 0.607 1.00 0.00 H new ATOM 542 N SER A 44 8.096 -1.158 -1.420 1.00 0.00 N ATOM 543 CA SER A 44 7.122 -2.220 -1.604 1.00 0.00 C ATOM 544 C SER A 44 6.740 -2.820 -0.249 1.00 0.00 C ATOM 545 O SER A 44 7.610 -3.161 0.550 1.00 0.00 O ATOM 546 CB SER A 44 7.664 -3.309 -2.532 1.00 0.00 C ATOM 547 OG SER A 44 8.584 -2.787 -3.488 1.00 0.00 O ATOM 0 H SER A 44 9.031 -1.475 -1.163 1.00 0.00 H new ATOM 0 HA SER A 44 6.234 -1.793 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.156 -4.079 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.834 -3.789 -3.052 1.00 0.00 H new ATOM 0 HG SER A 44 8.908 -3.513 -4.060 1.00 0.00 H new ATOM 552 N TYR A 45 5.437 -2.930 -0.032 1.00 0.00 N ATOM 553 CA TYR A 45 4.930 -3.483 1.211 1.00 0.00 C ATOM 554 C TYR A 45 4.205 -4.808 0.967 1.00 0.00 C ATOM 555 O TYR A 45 3.893 -5.533 1.910 1.00 0.00 O ATOM 556 CB TYR A 45 3.928 -2.459 1.749 1.00 0.00 C ATOM 557 CG TYR A 45 2.633 -2.370 0.940 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.615 -3.275 1.165 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.482 -1.385 -0.015 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.396 -3.190 0.403 1.00 0.00 C ATOM 561 CE2 TYR A 45 1.263 -1.301 -0.778 1.00 0.00 C ATOM 562 CZ TYR A 45 0.281 -2.208 -0.531 1.00 0.00 C ATOM 563 OH TYR A 45 -0.871 -2.129 -1.250 1.00 0.00 O ATOM 0 H TYR A 45 4.718 -2.645 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 45 5.747 -3.676 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.683 -2.713 2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.401 -1.477 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.733 -4.046 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.278 -0.677 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.409 -3.890 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.132 -0.536 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.813 -1.380 -1.879 1.00 0.00 H new ATOM 572 N ALA A 46 3.956 -5.084 -0.305 1.00 0.00 N ATOM 573 CA ALA A 46 3.274 -6.309 -0.685 1.00 0.00 C ATOM 574 C ALA A 46 3.513 -6.580 -2.172 1.00 0.00 C ATOM 575 O ALA A 46 4.167 -5.792 -2.853 1.00 0.00 O ATOM 576 CB ALA A 46 1.786 -6.192 -0.345 1.00 0.00 C ATOM 0 H ALA A 46 4.214 -4.480 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 46 3.670 -7.158 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.274 -7.111 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.669 -6.029 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.353 -5.352 -0.889 1.00 0.00 H new ATOM 582 N GLU A 47 2.969 -7.698 -2.632 1.00 0.00 N ATOM 583 CA GLU A 47 3.115 -8.083 -4.024 1.00 0.00 C ATOM 584 C GLU A 47 1.775 -8.566 -4.585 1.00 0.00 C ATOM 585 O GLU A 47 0.773 -8.591 -3.872 1.00 0.00 O ATOM 586 CB GLU A 47 4.195 -9.155 -4.188 1.00 0.00 C ATOM 587 CG GLU A 47 5.537 -8.668 -3.638 1.00 0.00 C ATOM 588 CD GLU A 47 6.135 -9.689 -2.667 1.00 0.00 C ATOM 589 OE1 GLU A 47 5.780 -10.879 -2.806 1.00 0.00 O ATOM 590 OE2 GLU A 47 6.933 -9.256 -1.809 1.00 0.00 O ATOM 0 H GLU A 47 2.426 -8.349 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 47 3.430 -7.207 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.893 -10.064 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.301 -9.411 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.230 -8.495 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.401 -7.714 -3.129 1.00 0.00 H new ATOM 595 N MET A 48 1.802 -8.937 -5.857 1.00 0.00 N ATOM 596 CA MET A 48 0.602 -9.418 -6.520 1.00 0.00 C ATOM 597 C MET A 48 0.951 -10.167 -7.809 1.00 0.00 C ATOM 598 O MET A 48 1.954 -9.866 -8.454 1.00 0.00 O ATOM 599 CB MET A 48 -0.309 -8.233 -6.850 1.00 0.00 C ATOM 600 CG MET A 48 0.338 -7.317 -7.891 1.00 0.00 C ATOM 601 SD MET A 48 -0.756 -7.111 -9.286 1.00 0.00 S ATOM 602 CE MET A 48 -2.212 -6.503 -8.451 1.00 0.00 C ATOM 0 H MET A 48 2.635 -8.914 -6.445 1.00 0.00 H new ATOM 0 HA MET A 48 0.089 -10.106 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.265 -8.598 -7.226 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.518 -7.667 -5.942 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.560 -6.347 -7.446 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.286 -7.741 -8.221 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.081 -7.080 -8.768 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.082 -6.604 -7.373 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.363 -5.453 -8.701 1.00 0.00 H new ATOM 610 N GLU A 49 0.103 -11.128 -8.144 1.00 0.00 N ATOM 611 CA GLU A 49 0.308 -11.923 -9.343 1.00 0.00 C ATOM 612 C GLU A 49 -0.745 -11.576 -10.397 1.00 0.00 C ATOM 613 O GLU A 49 -1.929 -11.850 -10.210 1.00 0.00 O ATOM 614 CB GLU A 49 0.289 -13.418 -9.020 1.00 0.00 C ATOM 615 CG GLU A 49 0.596 -14.252 -10.265 1.00 0.00 C ATOM 616 CD GLU A 49 0.987 -15.682 -9.886 1.00 0.00 C ATOM 617 OE1 GLU A 49 1.546 -15.841 -8.780 1.00 0.00 O ATOM 618 OE2 GLU A 49 0.718 -16.582 -10.709 1.00 0.00 O ATOM 0 H GLU A 49 -0.728 -11.374 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 49 1.291 -11.685 -9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.022 -13.635 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.688 -13.696 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.276 -14.271 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.406 -13.787 -10.828 1.00 0.00 H new ATOM 623 N VAL A 50 -0.275 -10.977 -11.482 1.00 0.00 N ATOM 624 CA VAL A 50 -1.162 -10.591 -12.566 1.00 0.00 C ATOM 625 C VAL A 50 -0.516 -10.957 -13.903 1.00 0.00 C ATOM 626 O VAL A 50 0.707 -10.934 -14.033 1.00 0.00 O ATOM 627 CB VAL A 50 -1.504 -9.103 -12.456 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.239 -8.259 -12.294 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.324 -8.638 -13.662 1.00 0.00 C ATOM 0 H VAL A 50 0.708 -10.750 -11.633 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.104 -11.135 -12.500 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.114 -8.965 -11.563 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.511 -7.206 -12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.288 -8.563 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.409 -8.405 -13.158 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.554 -7.577 -13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.751 -8.798 -14.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.252 -9.207 -13.712 1.00 0.00 H new ATOM 639 N MET A 51 -1.367 -11.289 -14.864 1.00 0.00 N ATOM 640 CA MET A 51 -0.895 -11.660 -16.187 1.00 0.00 C ATOM 641 C MET A 51 0.195 -12.731 -16.099 1.00 0.00 C ATOM 642 O MET A 51 1.185 -12.676 -16.827 1.00 0.00 O ATOM 643 CB MET A 51 -0.339 -10.424 -16.896 1.00 0.00 C ATOM 644 CG MET A 51 -1.470 -9.500 -17.354 1.00 0.00 C ATOM 645 SD MET A 51 -2.307 -10.211 -18.762 1.00 0.00 S ATOM 646 CE MET A 51 -1.372 -9.466 -20.087 1.00 0.00 C ATOM 0 H MET A 51 -2.381 -11.309 -14.752 1.00 0.00 H new ATOM 0 HA MET A 51 -1.734 -12.067 -16.751 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.327 -9.884 -16.224 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.256 -10.731 -17.756 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.178 -9.346 -16.539 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.068 -8.521 -17.616 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.765 -9.805 -21.045 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.454 -8.381 -20.025 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.325 -9.756 -20.001 1.00 0.00 H new ATOM 654 N LYS A 52 -0.025 -13.681 -15.203 1.00 0.00 N ATOM 655 CA LYS A 52 0.925 -14.764 -15.010 1.00 0.00 C ATOM 656 C LYS A 52 2.274 -14.182 -14.585 1.00 0.00 C ATOM 657 O LYS A 52 3.302 -14.850 -14.686 1.00 0.00 O ATOM 658 CB LYS A 52 1.000 -15.639 -16.262 1.00 0.00 C ATOM 659 CG LYS A 52 -0.120 -16.682 -16.271 1.00 0.00 C ATOM 660 CD LYS A 52 0.003 -17.608 -17.482 1.00 0.00 C ATOM 661 CE LYS A 52 -1.313 -17.670 -18.259 1.00 0.00 C ATOM 662 NZ LYS A 52 -1.397 -18.926 -19.037 1.00 0.00 N ATOM 0 H LYS A 52 -0.848 -13.724 -14.602 1.00 0.00 H new ATOM 0 HA LYS A 52 0.594 -15.423 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.926 -15.014 -17.152 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.968 -16.139 -16.303 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.082 -17.270 -15.354 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.088 -16.181 -16.288 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.800 -17.254 -18.136 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.283 -18.609 -17.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.153 -17.607 -17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.387 -16.814 -18.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.296 -18.952 -19.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.605 -18.971 -19.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.348 -19.739 -18.390 1.00 0.00 H new ATOM 672 N MET A 53 2.228 -12.943 -14.116 1.00 0.00 N ATOM 673 CA MET A 53 3.434 -12.264 -13.674 1.00 0.00 C ATOM 674 C MET A 53 3.308 -11.817 -12.217 1.00 0.00 C ATOM 675 O MET A 53 2.205 -11.569 -11.732 1.00 0.00 O ATOM 676 CB MET A 53 3.688 -11.045 -14.562 1.00 0.00 C ATOM 677 CG MET A 53 4.304 -11.461 -15.900 1.00 0.00 C ATOM 678 SD MET A 53 5.786 -10.515 -16.210 1.00 0.00 S ATOM 679 CE MET A 53 5.783 -10.511 -17.995 1.00 0.00 C ATOM 0 H MET A 53 1.374 -12.392 -14.033 1.00 0.00 H new ATOM 0 HA MET A 53 4.269 -12.960 -13.750 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.751 -10.517 -14.737 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.355 -10.351 -14.051 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.538 -12.525 -15.887 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.586 -11.303 -16.705 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.649 -9.958 -18.359 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.828 -11.537 -18.361 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.871 -10.036 -18.356 1.00 0.00 H new ATOM 687 N ILE A 54 4.454 -11.726 -11.558 1.00 0.00 N ATOM 688 CA ILE A 54 4.487 -11.313 -10.165 1.00 0.00 C ATOM 689 C ILE A 54 4.914 -9.846 -10.083 1.00 0.00 C ATOM 690 O ILE A 54 6.091 -9.528 -10.248 1.00 0.00 O ATOM 691 CB ILE A 54 5.369 -12.257 -9.346 1.00 0.00 C ATOM 692 CG1 ILE A 54 5.070 -13.719 -9.685 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.230 -11.977 -7.849 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.724 -14.153 -9.102 1.00 0.00 C ATOM 0 H ILE A 54 5.367 -11.931 -11.963 1.00 0.00 H new ATOM 0 HA ILE A 54 3.493 -11.382 -9.724 1.00 0.00 H new ATOM 0 HB ILE A 54 6.409 -12.070 -9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.061 -13.851 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.863 -14.356 -9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.867 -12.662 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.531 -10.950 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.192 -12.119 -7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.536 -15.196 -9.358 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.745 -14.043 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.931 -13.530 -9.515 1.00 0.00 H new ATOM 705 N MET A 55 3.935 -8.991 -9.829 1.00 0.00 N ATOM 706 CA MET A 55 4.195 -7.565 -9.723 1.00 0.00 C ATOM 707 C MET A 55 4.213 -7.118 -8.260 1.00 0.00 C ATOM 708 O MET A 55 3.401 -7.576 -7.457 1.00 0.00 O ATOM 709 CB MET A 55 3.113 -6.792 -10.480 1.00 0.00 C ATOM 710 CG MET A 55 3.225 -7.027 -11.988 1.00 0.00 C ATOM 711 SD MET A 55 2.218 -5.843 -12.866 1.00 0.00 S ATOM 712 CE MET A 55 2.933 -5.979 -14.497 1.00 0.00 C ATOM 0 H MET A 55 2.960 -9.258 -9.693 1.00 0.00 H new ATOM 0 HA MET A 55 5.173 -7.359 -10.158 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.128 -7.103 -10.132 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.205 -5.727 -10.266 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.265 -6.937 -12.302 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.905 -8.040 -12.231 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.418 -5.301 -15.178 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.990 -5.716 -14.454 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.828 -7.003 -14.856 1.00 0.00 H new ATOM 720 N THR A 56 5.148 -6.229 -7.957 1.00 0.00 N ATOM 721 CA THR A 56 5.282 -5.715 -6.605 1.00 0.00 C ATOM 722 C THR A 56 4.343 -4.527 -6.391 1.00 0.00 C ATOM 723 O THR A 56 4.033 -3.797 -7.331 1.00 0.00 O ATOM 724 CB THR A 56 6.755 -5.375 -6.373 1.00 0.00 C ATOM 725 OG1 THR A 56 7.456 -6.253 -7.249 1.00 0.00 O ATOM 726 CG2 THR A 56 7.237 -5.779 -4.977 1.00 0.00 C ATOM 0 H THR A 56 5.820 -5.852 -8.625 1.00 0.00 H new ATOM 0 HA THR A 56 4.985 -6.460 -5.867 1.00 0.00 H new ATOM 0 HB THR A 56 6.907 -4.305 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.420 -6.099 -7.164 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.289 -5.515 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.649 -5.255 -4.223 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.117 -6.855 -4.848 1.00 0.00 H new ATOM 734 N LEU A 57 3.915 -4.368 -5.147 1.00 0.00 N ATOM 735 CA LEU A 57 3.017 -3.281 -4.796 1.00 0.00 C ATOM 736 C LEU A 57 3.753 -2.290 -3.891 1.00 0.00 C ATOM 737 O LEU A 57 4.366 -2.685 -2.901 1.00 0.00 O ATOM 738 CB LEU A 57 1.725 -3.829 -4.186 1.00 0.00 C ATOM 739 CG LEU A 57 0.566 -4.052 -5.160 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.503 -4.954 -4.540 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.015 -2.719 -5.636 1.00 0.00 C ATOM 0 H LEU A 57 4.174 -4.975 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 57 2.713 -2.734 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.951 -4.777 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.393 -3.141 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 57 0.953 -4.567 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.316 -5.097 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.064 -5.920 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.892 -4.488 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.837 -2.906 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.383 -2.156 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.761 -2.144 -6.142 1.00 0.00 H new ATOM 752 N ASN A 58 3.667 -1.022 -4.265 1.00 0.00 N ATOM 753 CA ASN A 58 4.316 0.030 -3.500 1.00 0.00 C ATOM 754 C ASN A 58 3.257 1.002 -2.977 1.00 0.00 C ATOM 755 O ASN A 58 2.111 0.973 -3.419 1.00 0.00 O ATOM 756 CB ASN A 58 5.295 0.819 -4.371 1.00 0.00 C ATOM 757 CG ASN A 58 4.735 1.023 -5.779 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.535 1.046 -6.001 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.668 1.169 -6.716 1.00 0.00 N ATOM 0 H ASN A 58 3.158 -0.699 -5.088 1.00 0.00 H new ATOM 0 HA ASN A 58 4.860 -0.436 -2.678 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.496 1.787 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.246 0.289 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.396 1.310 -7.689 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.655 1.139 -6.462 1.00 0.00 H new ATOM 765 N VAL A 59 3.680 1.840 -2.042 1.00 0.00 N ATOM 766 CA VAL A 59 2.783 2.819 -1.454 1.00 0.00 C ATOM 767 C VAL A 59 2.853 4.118 -2.259 1.00 0.00 C ATOM 768 O VAL A 59 3.940 4.611 -2.558 1.00 0.00 O ATOM 769 CB VAL A 59 3.119 3.016 0.027 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.909 1.720 0.813 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.548 3.536 0.200 1.00 0.00 C ATOM 0 H VAL A 59 4.632 1.861 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 59 1.753 2.465 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 59 2.438 3.766 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.155 1.887 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.868 1.408 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.555 0.941 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.761 3.667 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.250 2.819 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.652 4.493 -0.312 1.00 0.00 H new ATOM 781 N GLN A 60 1.679 4.636 -2.590 1.00 0.00 N ATOM 782 CA GLN A 60 1.593 5.868 -3.356 1.00 0.00 C ATOM 783 C GLN A 60 2.200 7.028 -2.564 1.00 0.00 C ATOM 784 O GLN A 60 2.770 7.950 -3.145 1.00 0.00 O ATOM 785 CB GLN A 60 0.146 6.169 -3.750 1.00 0.00 C ATOM 786 CG GLN A 60 -0.262 5.372 -4.990 1.00 0.00 C ATOM 787 CD GLN A 60 0.425 5.919 -6.243 1.00 0.00 C ATOM 788 OE1 GLN A 60 0.190 7.036 -6.674 1.00 0.00 O ATOM 789 NE2 GLN A 60 1.284 5.070 -6.802 1.00 0.00 N ATOM 0 H GLN A 60 0.779 4.225 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 60 2.165 5.743 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.519 5.924 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.033 7.235 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.001 4.323 -4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.344 5.416 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.433 4.149 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.793 5.340 -7.644 1.00 0.00 H new ATOM 796 N GLU A 61 2.055 6.945 -1.250 1.00 0.00 N ATOM 797 CA GLU A 61 2.581 7.978 -0.373 1.00 0.00 C ATOM 798 C GLU A 61 3.015 7.368 0.963 1.00 0.00 C ATOM 799 O GLU A 61 2.268 6.605 1.572 1.00 0.00 O ATOM 800 CB GLU A 61 1.554 9.092 -0.160 1.00 0.00 C ATOM 801 CG GLU A 61 1.255 9.818 -1.472 1.00 0.00 C ATOM 802 CD GLU A 61 2.423 10.717 -1.881 1.00 0.00 C ATOM 803 OE1 GLU A 61 3.364 10.178 -2.502 1.00 0.00 O ATOM 804 OE2 GLU A 61 2.350 11.924 -1.562 1.00 0.00 O ATOM 0 H GLU A 61 1.581 6.179 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 61 3.455 8.422 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.634 8.671 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.930 9.803 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.060 9.089 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.351 10.418 -1.362 1.00 0.00 H new ATOM 809 N ARG A 62 4.220 7.730 1.378 1.00 0.00 N ATOM 810 CA ARG A 62 4.763 7.229 2.629 1.00 0.00 C ATOM 811 C ARG A 62 3.653 7.105 3.676 1.00 0.00 C ATOM 812 O ARG A 62 2.681 7.859 3.648 1.00 0.00 O ATOM 813 CB ARG A 62 5.858 8.153 3.164 1.00 0.00 C ATOM 814 CG ARG A 62 5.309 9.554 3.435 1.00 0.00 C ATOM 815 CD ARG A 62 6.193 10.624 2.790 1.00 0.00 C ATOM 816 NE ARG A 62 5.425 11.877 2.615 1.00 0.00 N ATOM 817 CZ ARG A 62 5.982 13.089 2.493 1.00 0.00 C ATOM 818 NH1 ARG A 62 7.316 13.219 2.525 1.00 0.00 N ATOM 819 NH2 ARG A 62 5.207 14.171 2.337 1.00 0.00 N ATOM 0 H ARG A 62 4.836 8.365 0.870 1.00 0.00 H new ATOM 0 HA ARG A 62 5.196 6.248 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.273 7.737 4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.674 8.211 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.294 9.632 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.252 9.724 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.068 10.808 3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.557 10.273 1.824 1.00 0.00 H new ATOM 0 HE ARG A 62 4.407 11.814 2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.906 12.395 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.741 14.142 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.192 14.072 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.632 15.094 2.244 1.00 0.00 H new ATOM 830 N GLY A 63 3.836 6.149 4.574 1.00 0.00 N ATOM 831 CA GLY A 63 2.863 5.918 5.629 1.00 0.00 C ATOM 832 C GLY A 63 3.070 4.546 6.273 1.00 0.00 C ATOM 833 O GLY A 63 4.197 4.063 6.368 1.00 0.00 O ATOM 0 H GLY A 63 4.643 5.525 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.951 6.697 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.855 5.984 5.220 1.00 0.00 H new ATOM 837 N ARG A 64 1.963 3.955 6.702 1.00 0.00 N ATOM 838 CA ARG A 64 2.009 2.648 7.336 1.00 0.00 C ATOM 839 C ARG A 64 1.036 1.691 6.648 1.00 0.00 C ATOM 840 O ARG A 64 -0.151 1.988 6.524 1.00 0.00 O ATOM 841 CB ARG A 64 1.656 2.745 8.821 1.00 0.00 C ATOM 842 CG ARG A 64 2.661 3.623 9.568 1.00 0.00 C ATOM 843 CD ARG A 64 1.963 4.471 10.634 1.00 0.00 C ATOM 844 NE ARG A 64 2.757 5.689 10.912 1.00 0.00 N ATOM 845 CZ ARG A 64 3.930 5.690 11.557 1.00 0.00 C ATOM 846 NH1 ARG A 64 4.454 4.538 11.996 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.581 6.843 11.764 1.00 0.00 N ATOM 0 H ARG A 64 1.029 4.358 6.623 1.00 0.00 H new ATOM 0 HA ARG A 64 3.026 2.267 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.653 3.157 8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.642 1.748 9.261 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.419 2.996 10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.177 4.273 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.965 4.747 10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.839 3.891 11.548 1.00 0.00 H new ATOM 0 HE ARG A 64 2.387 6.584 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.959 3.660 11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.348 4.539 12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.183 7.721 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.475 6.843 12.256 1.00 0.00 H new ATOM 858 N VAL A 65 1.574 0.558 6.218 1.00 0.00 N ATOM 859 CA VAL A 65 0.767 -0.446 5.545 1.00 0.00 C ATOM 860 C VAL A 65 0.076 -1.324 6.591 1.00 0.00 C ATOM 861 O VAL A 65 0.695 -1.726 7.575 1.00 0.00 O ATOM 862 CB VAL A 65 1.633 -1.247 4.570 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.827 -2.371 3.918 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.256 -0.333 3.513 1.00 0.00 C ATOM 0 H VAL A 65 2.559 0.314 6.323 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.014 0.028 4.951 1.00 0.00 H new ATOM 0 HB VAL A 65 2.444 -1.703 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.466 -2.925 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.454 -3.045 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.014 -1.945 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.866 -0.927 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.466 0.165 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.880 0.415 4.001 1.00 0.00 H new ATOM 874 N LYS A 66 -1.196 -1.595 6.343 1.00 0.00 N ATOM 875 CA LYS A 66 -1.977 -2.418 7.251 1.00 0.00 C ATOM 876 C LYS A 66 -2.701 -3.505 6.453 1.00 0.00 C ATOM 877 O LYS A 66 -2.863 -3.384 5.239 1.00 0.00 O ATOM 878 CB LYS A 66 -2.912 -1.548 8.093 1.00 0.00 C ATOM 879 CG LYS A 66 -3.132 -2.160 9.478 1.00 0.00 C ATOM 880 CD LYS A 66 -2.444 -1.327 10.561 1.00 0.00 C ATOM 881 CE LYS A 66 -3.268 -1.315 11.850 1.00 0.00 C ATOM 882 NZ LYS A 66 -4.029 -0.051 11.967 1.00 0.00 N ATOM 0 H LYS A 66 -1.706 -1.259 5.526 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.325 -2.925 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.490 -0.548 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.869 -1.438 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.200 -2.223 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.743 -3.178 9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.453 -1.733 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.304 -0.306 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.954 -2.162 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.609 -1.431 12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.583 -0.059 12.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.368 0.752 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.672 0.044 11.155 1.00 0.00 H new ATOM 892 N TYR A 67 -3.116 -4.540 7.167 1.00 0.00 N ATOM 893 CA TYR A 67 -3.819 -5.647 6.541 1.00 0.00 C ATOM 894 C TYR A 67 -5.314 -5.347 6.417 1.00 0.00 C ATOM 895 O TYR A 67 -6.006 -5.196 7.422 1.00 0.00 O ATOM 896 CB TYR A 67 -3.628 -6.848 7.470 1.00 0.00 C ATOM 897 CG TYR A 67 -4.836 -7.782 7.535 1.00 0.00 C ATOM 898 CD1 TYR A 67 -5.242 -8.466 6.408 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.522 -7.943 8.723 1.00 0.00 C ATOM 900 CE1 TYR A 67 -6.381 -9.347 6.470 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.659 -8.823 8.785 1.00 0.00 C ATOM 902 CZ TYR A 67 -7.032 -9.481 7.655 1.00 0.00 C ATOM 903 OH TYR A 67 -8.108 -10.312 7.714 1.00 0.00 O ATOM 0 H TYR A 67 -2.979 -4.636 8.173 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.433 -5.828 5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.759 -7.417 7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.407 -6.486 8.474 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.706 -8.341 5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.205 -7.408 9.606 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.709 -9.888 5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.204 -8.958 9.708 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.473 -10.310 8.623 1.00 0.00 H new ATOM 912 N ILE A 68 -5.768 -5.270 5.174 1.00 0.00 N ATOM 913 CA ILE A 68 -7.169 -4.991 4.905 1.00 0.00 C ATOM 914 C ILE A 68 -7.832 -6.242 4.328 1.00 0.00 C ATOM 915 O ILE A 68 -8.710 -6.831 4.956 1.00 0.00 O ATOM 916 CB ILE A 68 -7.308 -3.755 4.015 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.793 -2.504 4.730 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.749 -3.586 3.532 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.380 -2.396 6.139 1.00 0.00 C ATOM 0 H ILE A 68 -5.191 -5.396 4.343 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.694 -4.750 5.830 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.687 -3.900 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.705 -2.536 4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.056 -1.617 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.820 -2.700 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.046 -4.464 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.410 -3.473 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.998 -1.498 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.467 -2.340 6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.094 -3.273 6.720 1.00 0.00 H new ATOM 930 N LYS A 69 -7.386 -6.613 3.136 1.00 0.00 N ATOM 931 CA LYS A 69 -7.925 -7.783 2.466 1.00 0.00 C ATOM 932 C LYS A 69 -7.055 -8.999 2.792 1.00 0.00 C ATOM 933 O LYS A 69 -5.844 -8.871 2.967 1.00 0.00 O ATOM 934 CB LYS A 69 -8.075 -7.521 0.966 1.00 0.00 C ATOM 935 CG LYS A 69 -9.106 -6.422 0.702 1.00 0.00 C ATOM 936 CD LYS A 69 -10.500 -6.855 1.163 1.00 0.00 C ATOM 937 CE LYS A 69 -10.826 -6.275 2.541 1.00 0.00 C ATOM 938 NZ LYS A 69 -11.846 -7.103 3.222 1.00 0.00 N ATOM 0 H LYS A 69 -6.657 -6.123 2.618 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.929 -8.001 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.112 -7.230 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.379 -8.438 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.813 -5.511 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.128 -6.187 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.245 -6.524 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.553 -7.943 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.921 -6.230 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.190 -5.253 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.056 -6.696 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.714 -7.124 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.485 -8.071 3.340 1.00 0.00 H new ATOM 948 N ARG A 70 -7.707 -10.151 2.866 1.00 0.00 N ATOM 949 CA ARG A 70 -7.008 -11.388 3.169 1.00 0.00 C ATOM 950 C ARG A 70 -6.070 -11.763 2.020 1.00 0.00 C ATOM 951 O ARG A 70 -6.353 -11.466 0.861 1.00 0.00 O ATOM 952 CB ARG A 70 -7.993 -12.533 3.407 1.00 0.00 C ATOM 953 CG ARG A 70 -8.204 -12.772 4.904 1.00 0.00 C ATOM 954 CD ARG A 70 -7.869 -14.218 5.281 1.00 0.00 C ATOM 955 NE ARG A 70 -8.869 -14.734 6.243 1.00 0.00 N ATOM 956 CZ ARG A 70 -10.122 -15.074 5.915 1.00 0.00 C ATOM 957 NH1 ARG A 70 -10.539 -14.953 4.646 1.00 0.00 N ATOM 958 NH2 ARG A 70 -10.960 -15.534 6.854 1.00 0.00 N ATOM 0 H ARG A 70 -8.712 -10.253 2.721 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.429 -11.227 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.947 -12.301 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.618 -13.443 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.577 -12.088 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.239 -12.554 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.856 -14.842 4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.872 -14.267 5.719 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.586 -14.837 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.902 -14.602 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.493 -15.212 4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.644 -15.625 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.914 -15.793 6.603 1.00 0.00 H new ATOM 969 N PRO A 71 -4.941 -12.425 2.392 1.00 0.00 N ATOM 970 CA PRO A 71 -3.960 -12.844 1.406 1.00 0.00 C ATOM 971 C PRO A 71 -4.456 -14.058 0.620 1.00 0.00 C ATOM 972 O PRO A 71 -4.733 -15.108 1.199 1.00 0.00 O ATOM 973 CB PRO A 71 -2.698 -13.129 2.203 1.00 0.00 C ATOM 974 CG PRO A 71 -3.147 -13.308 3.645 1.00 0.00 C ATOM 975 CD PRO A 71 -4.573 -12.794 3.756 1.00 0.00 C ATOM 0 HA PRO A 71 -3.774 -12.082 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.198 -14.025 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.986 -12.308 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.096 -14.358 3.933 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.490 -12.760 4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.240 -13.559 4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.634 -11.938 4.428 1.00 0.00 H new ATOM 980 N GLY A 72 -4.554 -13.876 -0.689 1.00 0.00 N ATOM 981 CA GLY A 72 -5.012 -14.944 -1.561 1.00 0.00 C ATOM 982 C GLY A 72 -6.250 -14.514 -2.351 1.00 0.00 C ATOM 983 O GLY A 72 -6.732 -15.254 -3.208 1.00 0.00 O ATOM 0 H GLY A 72 -4.324 -13.005 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.215 -15.222 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.244 -15.829 -0.968 1.00 0.00 H new ATOM 987 N ALA A 73 -6.730 -13.321 -2.034 1.00 0.00 N ATOM 988 CA ALA A 73 -7.902 -12.783 -2.703 1.00 0.00 C ATOM 989 C ALA A 73 -7.561 -12.495 -4.167 1.00 0.00 C ATOM 990 O ALA A 73 -6.389 -12.457 -4.539 1.00 0.00 O ATOM 991 CB ALA A 73 -8.387 -11.537 -1.961 1.00 0.00 C ATOM 0 H ALA A 73 -6.328 -12.711 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.717 -13.507 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.266 -11.134 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.644 -11.801 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.597 -10.786 -1.955 1.00 0.00 H new ATOM 997 N VAL A 74 -8.607 -12.297 -4.956 1.00 0.00 N ATOM 998 CA VAL A 74 -8.432 -12.012 -6.370 1.00 0.00 C ATOM 999 C VAL A 74 -8.323 -10.499 -6.573 1.00 0.00 C ATOM 1000 O VAL A 74 -9.324 -9.788 -6.513 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.571 -12.642 -7.175 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -10.931 -12.289 -6.568 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -9.501 -12.223 -8.645 1.00 0.00 C ATOM 0 H VAL A 74 -9.577 -12.328 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.507 -12.456 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.454 -13.725 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.723 -12.749 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.980 -12.660 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.060 -11.207 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.322 -12.685 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.580 -11.138 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.552 -12.547 -9.071 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.098 -10.054 -6.807 1.00 0.00 N ATOM 1014 CA LEU A 75 -6.845 -8.637 -7.018 1.00 0.00 C ATOM 1015 C LEU A 75 -7.580 -8.175 -8.278 1.00 0.00 C ATOM 1016 O LEU A 75 -7.343 -8.696 -9.366 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.340 -8.362 -7.049 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.813 -7.398 -5.982 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.003 -5.944 -6.416 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.457 -7.680 -4.623 1.00 0.00 C ATOM 0 H LEU A 75 -6.270 -10.648 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.237 -8.051 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.815 -9.311 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.084 -7.962 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.741 -7.563 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.621 -5.280 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.461 -5.768 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.064 -5.747 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.066 -6.982 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.538 -7.559 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.227 -8.700 -4.316 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.458 -7.200 -8.087 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.229 -6.661 -9.194 1.00 0.00 C ATOM 1033 C GLU A 76 -8.969 -5.161 -9.341 1.00 0.00 C ATOM 1034 O GLU A 76 -8.676 -4.478 -8.360 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.721 -6.943 -9.011 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.068 -8.368 -9.449 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.336 -8.863 -8.750 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.579 -8.394 -7.617 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.031 -9.701 -9.363 1.00 0.00 O ATOM 0 H GLU A 76 -8.652 -6.770 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.908 -7.157 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.996 -6.803 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.304 -6.228 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.210 -8.396 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.237 -9.035 -9.219 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.085 -4.691 -10.574 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.865 -3.283 -10.862 1.00 0.00 C ATOM 1046 C ALA A 77 -9.881 -2.443 -10.084 1.00 0.00 C ATOM 1047 O ALA A 77 -11.087 -2.625 -10.236 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.952 -3.052 -12.372 1.00 0.00 C ATOM 0 H ALA A 77 -9.328 -5.259 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.869 -2.976 -10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.787 -1.997 -12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.192 -3.649 -12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.939 -3.346 -12.729 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.354 -1.542 -9.269 1.00 0.00 N ATOM 1055 CA GLY A 78 -10.199 -0.674 -8.467 1.00 0.00 C ATOM 1056 C GLY A 78 -10.793 -1.433 -7.278 1.00 0.00 C ATOM 1057 O GLY A 78 -12.011 -1.483 -7.114 1.00 0.00 O ATOM 0 H GLY A 78 -8.352 -1.394 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.617 0.175 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.002 -0.271 -9.084 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.904 -2.004 -6.478 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.324 -2.758 -5.309 1.00 0.00 C ATOM 1063 C CYS A 79 -9.443 -2.344 -4.129 1.00 0.00 C ATOM 1064 O CYS A 79 -8.483 -1.593 -4.299 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.272 -4.265 -5.560 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.910 -4.866 -6.112 1.00 0.00 S ATOM 0 H CYS A 79 -8.894 -1.959 -6.617 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.365 -2.531 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.520 -4.490 -6.316 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.974 -4.783 -4.649 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.563 -3.892 -6.673 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.800 -2.852 -2.958 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.054 -2.545 -1.751 1.00 0.00 C ATOM 1073 C VAL A 80 -7.993 -3.624 -1.524 1.00 0.00 C ATOM 1074 O VAL A 80 -8.225 -4.797 -1.809 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.013 -2.392 -0.568 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.713 -3.715 -0.255 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.281 -1.853 0.664 1.00 0.00 C ATOM 0 H VAL A 80 -10.596 -3.474 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.533 -1.593 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.778 -1.667 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.389 -3.578 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.282 -4.041 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.968 -4.471 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.985 -1.753 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.486 -2.543 0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.851 -0.878 0.434 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.850 -3.187 -1.012 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.754 -4.102 -0.743 1.00 0.00 C ATOM 1089 C VAL A 81 -5.280 -3.914 0.699 1.00 0.00 C ATOM 1090 O VAL A 81 -5.340 -4.844 1.502 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.638 -3.896 -1.770 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.523 -4.927 -1.582 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.190 -3.938 -3.196 1.00 0.00 C ATOM 0 H VAL A 81 -6.660 -2.213 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.086 -5.135 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.210 -2.907 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.743 -4.758 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.100 -4.828 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.931 -5.930 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.376 -3.789 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.657 -4.906 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.931 -3.149 -3.323 1.00 0.00 H new ATOM 1103 N ALA A 82 -4.822 -2.704 0.985 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.339 -2.382 2.318 1.00 0.00 C ATOM 1105 C ALA A 82 -4.625 -0.910 2.617 1.00 0.00 C ATOM 1106 O ALA A 82 -5.196 -0.203 1.788 1.00 0.00 O ATOM 1107 CB ALA A 82 -2.850 -2.720 2.416 1.00 0.00 C ATOM 0 H ALA A 82 -4.775 -1.935 0.317 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.858 -2.977 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.487 -2.479 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.705 -3.783 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.296 -2.139 1.679 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.213 -0.490 3.805 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.418 0.886 4.224 1.00 0.00 C ATOM 1115 C ARG A 83 -3.083 1.631 4.272 1.00 0.00 C ATOM 1116 O ARG A 83 -2.021 1.011 4.234 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.081 0.950 5.602 1.00 0.00 C ATOM 1118 CG ARG A 83 -6.486 1.546 5.509 1.00 0.00 C ATOM 1119 CD ARG A 83 -6.484 3.019 5.918 1.00 0.00 C ATOM 1120 NE ARG A 83 -7.376 3.222 7.083 1.00 0.00 N ATOM 1121 CZ ARG A 83 -8.706 3.056 7.049 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -9.305 2.685 5.910 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -9.434 3.262 8.154 1.00 0.00 N ATOM 0 H ARG A 83 -3.739 -1.078 4.490 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.076 1.360 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.135 -0.051 6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.471 1.552 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.860 1.448 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.165 0.987 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.471 3.335 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.815 3.637 5.084 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.952 3.506 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.749 2.529 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.317 2.559 5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.977 3.545 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.446 3.136 8.129 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.179 2.949 4.357 1.00 0.00 N ATOM 1135 CA LEU A 84 -1.992 3.785 4.410 1.00 0.00 C ATOM 1136 C LEU A 84 -2.220 4.925 5.405 1.00 0.00 C ATOM 1137 O LEU A 84 -2.952 5.870 5.114 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.607 4.260 3.007 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.226 4.907 2.874 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.261 6.370 3.320 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.831 4.101 3.631 1.00 0.00 C ATOM 0 H LEU A 84 -4.061 3.459 4.391 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.139 3.212 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.653 3.407 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.356 4.976 2.669 1.00 0.00 H new ATOM 0 HG LEU A 84 0.056 4.899 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.732 6.806 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.967 6.923 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.574 6.425 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.803 4.582 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.566 4.056 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.878 3.091 3.225 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.581 4.797 6.558 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.706 5.805 7.598 1.00 0.00 C ATOM 1154 C GLU A 85 -0.657 6.903 7.401 1.00 0.00 C ATOM 1155 O GLU A 85 0.467 6.787 7.887 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.586 5.177 8.988 1.00 0.00 C ATOM 1157 CG GLU A 85 -2.968 4.898 9.583 1.00 0.00 C ATOM 1158 CD GLU A 85 -2.886 3.844 10.689 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.180 2.837 10.462 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -3.530 4.068 11.736 1.00 0.00 O ATOM 0 H GLU A 85 -0.975 4.011 6.796 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.696 6.256 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.019 4.248 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.030 5.845 9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.388 5.820 9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.643 4.556 8.799 1.00 0.00 H new