USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 HIS : no HD1:sc= -0.777 K(o=-2.1,f=-6.5!) USER MOD Set 1.2: A 93 MET CE :methyl -118:sc= -1.32 (180deg=-3.08!) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.687 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 92:sc= -0.967 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.799 K(o=-0.8,f=-2.8) USER MOD Single : A 29 ASN : amide:sc= 0.617 K(o=0.62,f=-0.021) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -45:sc= -2.52 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-8.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 35:sc= 0.605 USER MOD Single : A 78 MET CE :methyl -171:sc= -1.12 (180deg=-1.31) USER MOD Single : A 80 HIS : no HD1:sc=-0.00476 X(o=-0.0048,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 148:sc= 0.351 USER MOD Single : A 89 HIS : no HD1:sc= -6.46! C(o=-6.5!,f=-8.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc=0.000942 USER MOD ----------------------------------------------------------------- ATOM 191 N TYR A 11 14.120 2.791 -2.059 1.00 0.00 N ATOM 192 CA TYR A 11 13.497 1.569 -2.551 1.00 0.00 C ATOM 193 C TYR A 11 12.079 1.422 -2.007 1.00 0.00 C ATOM 194 O TYR A 11 11.879 1.237 -0.806 1.00 0.00 O ATOM 195 CB TYR A 11 14.335 0.351 -2.159 1.00 0.00 C ATOM 196 CG TYR A 11 15.769 0.425 -2.629 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.076 0.463 -3.984 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.819 0.458 -1.720 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.385 0.531 -4.419 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.131 0.527 -2.145 1.00 0.00 C ATOM 201 CZ TYR A 11 18.409 0.563 -3.496 1.00 0.00 C ATOM 202 OH TYR A 11 19.715 0.630 -3.924 1.00 0.00 O ATOM 0 HA TYR A 11 13.444 1.631 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.322 0.246 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.872 -0.546 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.277 0.439 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.605 0.429 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.605 0.559 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.935 0.553 -1.424 1.00 0.00 H new ATOM 0 HH TYR A 11 20.313 0.646 -3.148 1.00 0.00 H new ATOM 212 N VAL A 12 11.098 1.505 -2.900 1.00 0.00 N ATOM 213 CA VAL A 12 9.698 1.379 -2.511 1.00 0.00 C ATOM 214 C VAL A 12 8.911 0.579 -3.542 1.00 0.00 C ATOM 215 O VAL A 12 9.283 0.521 -4.715 1.00 0.00 O ATOM 216 CB VAL A 12 9.038 2.760 -2.337 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.572 2.608 -1.960 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.783 3.578 -1.292 1.00 0.00 C ATOM 0 H VAL A 12 11.247 1.659 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 12 9.681 0.853 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 12 9.091 3.291 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.123 3.594 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.049 2.063 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.493 2.058 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.304 4.551 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.763 3.053 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.817 3.717 -1.608 1.00 0.00 H new ATOM 228 N VAL A 13 7.820 -0.037 -3.098 1.00 0.00 N ATOM 229 CA VAL A 13 6.978 -0.834 -3.983 1.00 0.00 C ATOM 230 C VAL A 13 5.500 -0.604 -3.689 1.00 0.00 C ATOM 231 O VAL A 13 5.101 -0.454 -2.533 1.00 0.00 O ATOM 232 CB VAL A 13 7.289 -2.336 -3.852 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.672 -2.645 -4.404 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.175 -2.779 -2.401 1.00 0.00 C ATOM 0 H VAL A 13 7.498 0.000 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 13 7.197 -0.514 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 13 6.557 -2.893 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.874 -3.711 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.714 -2.366 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.420 -2.080 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.398 -3.843 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.883 -2.217 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.162 -2.595 -2.043 1.00 0.00 H new ATOM 244 N LYS A 14 4.690 -0.579 -4.741 1.00 0.00 N ATOM 245 CA LYS A 14 3.254 -0.371 -4.597 1.00 0.00 C ATOM 246 C LYS A 14 2.489 -1.669 -4.832 1.00 0.00 C ATOM 247 O LYS A 14 2.764 -2.401 -5.784 1.00 0.00 O ATOM 248 CB LYS A 14 2.773 0.701 -5.578 1.00 0.00 C ATOM 249 CG LYS A 14 1.292 0.609 -5.902 1.00 0.00 C ATOM 250 CD LYS A 14 0.905 1.559 -7.023 1.00 0.00 C ATOM 251 CE LYS A 14 0.637 2.961 -6.497 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.315 3.706 -7.366 1.00 0.00 N ATOM 0 H LYS A 14 5.004 -0.700 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 14 3.061 -0.036 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.984 1.685 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.344 0.618 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.044 -0.413 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.709 0.840 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.704 1.594 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.016 1.183 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.234 2.899 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.576 3.510 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.472 4.656 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.081 3.788 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.220 3.195 -7.407 1.00 0.00 H new ATOM 266 N LEU A 15 1.527 -1.949 -3.960 1.00 0.00 N ATOM 267 CA LEU A 15 0.720 -3.160 -4.073 1.00 0.00 C ATOM 268 C LEU A 15 -0.734 -2.818 -4.381 1.00 0.00 C ATOM 269 O LEU A 15 -1.384 -2.091 -3.629 1.00 0.00 O ATOM 270 CB LEU A 15 0.802 -3.974 -2.781 1.00 0.00 C ATOM 271 CG LEU A 15 2.184 -4.518 -2.417 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.139 -5.235 -1.076 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.694 -5.450 -3.506 1.00 0.00 C ATOM 0 H LEU A 15 1.286 -1.354 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 15 1.116 -3.756 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.451 -3.350 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.112 -4.814 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 15 2.874 -3.678 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.131 -5.615 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.818 -4.538 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.435 -6.066 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.679 -5.828 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.004 -6.286 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.765 -4.905 -4.447 1.00 0.00 H new ATOM 285 N ARG A 16 -1.240 -3.349 -5.489 1.00 0.00 N ATOM 286 CA ARG A 16 -2.618 -3.101 -5.896 1.00 0.00 C ATOM 287 C ARG A 16 -3.425 -4.396 -5.899 1.00 0.00 C ATOM 288 O ARG A 16 -2.871 -5.485 -6.047 1.00 0.00 O ATOM 289 CB ARG A 16 -2.655 -2.461 -7.285 1.00 0.00 C ATOM 290 CG ARG A 16 -4.034 -1.969 -7.692 1.00 0.00 C ATOM 291 CD ARG A 16 -3.955 -0.982 -8.846 1.00 0.00 C ATOM 292 NE ARG A 16 -5.195 -0.940 -9.616 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.304 -0.355 -10.804 1.00 0.00 C ATOM 294 NH1 ARG A 16 -4.251 0.234 -11.355 1.00 0.00 N ATOM 295 NH2 ARG A 16 -6.466 -0.359 -11.443 1.00 0.00 N ATOM 0 H ARG A 16 -0.716 -3.954 -6.121 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.065 -2.416 -5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.958 -1.623 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.306 -3.187 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.654 -2.818 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.519 -1.495 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.735 0.013 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.130 -1.257 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.023 -1.384 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.356 0.238 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.337 0.683 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.278 -0.812 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.548 0.091 -12.355 1.00 0.00 H new ATOM 309 N GLY A 17 -4.738 -4.270 -5.734 1.00 0.00 N ATOM 310 CA GLY A 17 -5.600 -5.437 -5.720 1.00 0.00 C ATOM 311 C GLY A 17 -5.702 -6.066 -4.345 1.00 0.00 C ATOM 312 O GLY A 17 -6.146 -7.207 -4.207 1.00 0.00 O ATOM 0 H GLY A 17 -5.220 -3.380 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.596 -5.153 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.219 -6.175 -6.426 1.00 0.00 H new ATOM 316 N LEU A 18 -5.289 -5.323 -3.324 1.00 0.00 N ATOM 317 CA LEU A 18 -5.334 -5.816 -1.951 1.00 0.00 C ATOM 318 C LEU A 18 -6.761 -5.796 -1.412 1.00 0.00 C ATOM 319 O LEU A 18 -7.578 -4.953 -1.782 1.00 0.00 O ATOM 320 CB LEU A 18 -4.426 -4.971 -1.056 1.00 0.00 C ATOM 321 CG LEU A 18 -2.938 -4.980 -1.409 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.233 -3.789 -0.778 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.291 -6.283 -0.963 1.00 0.00 C ATOM 0 H LEU A 18 -4.919 -4.377 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.979 -6.847 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.779 -3.940 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.537 -5.318 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.841 -4.902 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.175 -3.812 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.678 -2.865 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.340 -3.835 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.232 -6.271 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.399 -6.392 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.778 -7.121 -1.463 1.00 0.00 H new ATOM 335 N PRO A 19 -7.068 -6.744 -0.515 1.00 0.00 N ATOM 336 CA PRO A 19 -8.395 -6.855 0.097 1.00 0.00 C ATOM 337 C PRO A 19 -8.687 -5.710 1.061 1.00 0.00 C ATOM 338 O PRO A 19 -7.769 -5.086 1.593 1.00 0.00 O ATOM 339 CB PRO A 19 -8.328 -8.186 0.851 1.00 0.00 C ATOM 340 CG PRO A 19 -6.880 -8.389 1.133 1.00 0.00 C ATOM 341 CD PRO A 19 -6.142 -7.781 -0.028 1.00 0.00 C ATOM 0 HA PRO A 19 -9.191 -6.810 -0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.909 -8.149 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.733 -9.001 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.594 -7.911 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.647 -9.449 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.188 -7.355 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.926 -8.521 -0.799 1.00 0.00 H new ATOM 349 N TRP A 20 -9.968 -5.441 1.282 1.00 0.00 N ATOM 350 CA TRP A 20 -10.380 -4.371 2.184 1.00 0.00 C ATOM 351 C TRP A 20 -10.035 -4.714 3.629 1.00 0.00 C ATOM 352 O TRP A 20 -10.255 -3.912 4.536 1.00 0.00 O ATOM 353 CB TRP A 20 -11.882 -4.114 2.051 1.00 0.00 C ATOM 354 CG TRP A 20 -12.243 -3.309 0.840 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.491 -3.145 -0.289 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.444 -2.558 0.637 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.153 -2.336 -1.181 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.354 -1.964 -0.637 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.588 -2.331 1.406 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.364 -1.158 -1.156 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.590 -1.530 0.890 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.473 -0.952 -0.381 1.00 0.00 C ATOM 0 H TRP A 20 -10.740 -5.949 0.849 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.839 -3.467 1.907 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.405 -5.070 2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.234 -3.594 2.942 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.519 -3.586 -0.456 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.806 -2.058 -2.099 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.688 -2.773 2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.275 -0.711 -2.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.478 -1.347 1.477 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.274 -0.332 -0.756 1.00 0.00 H new ATOM 373 N SER A 21 -9.495 -5.911 3.836 1.00 0.00 N ATOM 374 CA SER A 21 -9.123 -6.361 5.172 1.00 0.00 C ATOM 375 C SER A 21 -7.621 -6.611 5.263 1.00 0.00 C ATOM 376 O SER A 21 -7.141 -7.231 6.212 1.00 0.00 O ATOM 377 CB SER A 21 -9.887 -7.636 5.535 1.00 0.00 C ATOM 378 OG SER A 21 -10.085 -7.731 6.935 1.00 0.00 O ATOM 0 H SER A 21 -9.305 -6.586 3.095 1.00 0.00 H new ATOM 0 HA SER A 21 -9.386 -5.575 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.851 -7.643 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.335 -8.507 5.183 1.00 0.00 H new ATOM 0 HG SER A 21 -10.577 -8.553 7.141 1.00 0.00 H new ATOM 384 N CYS A 22 -6.886 -6.124 4.270 1.00 0.00 N ATOM 385 CA CYS A 22 -5.438 -6.295 4.236 1.00 0.00 C ATOM 386 C CYS A 22 -4.774 -5.540 5.383 1.00 0.00 C ATOM 387 O CYS A 22 -5.123 -4.395 5.669 1.00 0.00 O ATOM 388 CB CYS A 22 -4.877 -5.811 2.898 1.00 0.00 C ATOM 389 SG CYS A 22 -3.188 -6.361 2.563 1.00 0.00 S ATOM 0 H CYS A 22 -7.269 -5.608 3.478 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.220 -7.357 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.527 -6.160 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.904 -4.722 2.878 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.219 -7.481 1.904 1.00 0.00 H new ATOM 395 N SER A 23 -3.816 -6.189 6.036 1.00 0.00 N ATOM 396 CA SER A 23 -3.107 -5.581 7.156 1.00 0.00 C ATOM 397 C SER A 23 -1.597 -5.671 6.956 1.00 0.00 C ATOM 398 O SER A 23 -1.106 -6.542 6.236 1.00 0.00 O ATOM 399 CB SER A 23 -3.500 -6.263 8.467 1.00 0.00 C ATOM 400 OG SER A 23 -4.689 -5.702 8.997 1.00 0.00 O ATOM 0 H SER A 23 -3.513 -7.136 5.809 1.00 0.00 H new ATOM 0 HA SER A 23 -3.388 -4.529 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.642 -7.330 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.691 -6.160 9.191 1.00 0.00 H new ATOM 0 HG SER A 23 -4.920 -6.156 9.834 1.00 0.00 H new ATOM 406 N ILE A 24 -0.866 -4.766 7.598 1.00 0.00 N ATOM 407 CA ILE A 24 0.587 -4.743 7.492 1.00 0.00 C ATOM 408 C ILE A 24 1.159 -6.157 7.475 1.00 0.00 C ATOM 409 O ILE A 24 2.008 -6.483 6.646 1.00 0.00 O ATOM 410 CB ILE A 24 1.224 -3.958 8.653 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.792 -2.491 8.603 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.740 -4.071 8.601 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.239 -1.688 9.805 1.00 0.00 C ATOM 0 H ILE A 24 -1.257 -4.039 8.197 1.00 0.00 H new ATOM 0 HA ILE A 24 0.827 -4.245 6.553 1.00 0.00 H new ATOM 0 HB ILE A 24 0.880 -4.387 9.594 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.195 -2.033 7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.294 -2.443 8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.175 -3.511 9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.030 -5.119 8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.103 -3.665 7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.898 -0.658 9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.815 -2.122 10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.327 -1.705 9.870 1.00 0.00 H new ATOM 425 N GLU A 25 0.687 -6.991 8.395 1.00 0.00 N ATOM 426 CA GLU A 25 1.151 -8.371 8.485 1.00 0.00 C ATOM 427 C GLU A 25 1.082 -9.058 7.124 1.00 0.00 C ATOM 428 O GLU A 25 2.075 -9.603 6.641 1.00 0.00 O ATOM 429 CB GLU A 25 0.316 -9.149 9.504 1.00 0.00 C ATOM 430 CG GLU A 25 0.755 -8.934 10.942 1.00 0.00 C ATOM 431 CD GLU A 25 -0.330 -9.281 11.942 1.00 0.00 C ATOM 432 OE1 GLU A 25 -0.647 -10.481 12.082 1.00 0.00 O ATOM 433 OE2 GLU A 25 -0.863 -8.353 12.586 1.00 0.00 O ATOM 0 H GLU A 25 -0.016 -6.736 9.089 1.00 0.00 H new ATOM 0 HA GLU A 25 2.190 -8.357 8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.729 -8.856 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.372 -10.212 9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.637 -9.542 11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.048 -7.893 11.076 1.00 0.00 H new ATOM 440 N ASP A 26 -0.096 -9.027 6.512 1.00 0.00 N ATOM 441 CA ASP A 26 -0.296 -9.646 5.206 1.00 0.00 C ATOM 442 C ASP A 26 0.759 -9.171 4.213 1.00 0.00 C ATOM 443 O ASP A 26 1.256 -9.950 3.399 1.00 0.00 O ATOM 444 CB ASP A 26 -1.695 -9.326 4.676 1.00 0.00 C ATOM 445 CG ASP A 26 -2.741 -10.304 5.174 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.883 -11.383 4.561 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.417 -9.991 6.176 1.00 0.00 O ATOM 0 H ASP A 26 -0.927 -8.580 6.899 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.198 -10.725 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.973 -8.316 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.679 -9.339 3.586 1.00 0.00 H new ATOM 452 N VAL A 27 1.097 -7.887 4.284 1.00 0.00 N ATOM 453 CA VAL A 27 2.093 -7.308 3.391 1.00 0.00 C ATOM 454 C VAL A 27 3.488 -7.836 3.707 1.00 0.00 C ATOM 455 O VAL A 27 4.195 -8.317 2.823 1.00 0.00 O ATOM 456 CB VAL A 27 2.105 -5.771 3.484 1.00 0.00 C ATOM 457 CG1 VAL A 27 3.032 -5.179 2.434 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.695 -5.218 3.336 1.00 0.00 C ATOM 0 H VAL A 27 0.695 -7.228 4.951 1.00 0.00 H new ATOM 0 HA VAL A 27 1.817 -7.601 2.378 1.00 0.00 H new ATOM 0 HB VAL A 27 2.481 -5.487 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.027 -4.092 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.045 -5.550 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.690 -5.470 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.722 -4.130 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.289 -5.511 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.063 -5.616 4.130 1.00 0.00 H new ATOM 468 N GLN A 28 3.876 -7.743 4.975 1.00 0.00 N ATOM 469 CA GLN A 28 5.187 -8.211 5.408 1.00 0.00 C ATOM 470 C GLN A 28 5.418 -9.656 4.980 1.00 0.00 C ATOM 471 O GLN A 28 6.467 -9.991 4.430 1.00 0.00 O ATOM 472 CB GLN A 28 5.319 -8.090 6.928 1.00 0.00 C ATOM 473 CG GLN A 28 5.424 -6.655 7.417 1.00 0.00 C ATOM 474 CD GLN A 28 5.486 -6.557 8.928 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.478 -6.724 9.615 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.674 -6.284 9.456 1.00 0.00 N ATOM 0 H GLN A 28 3.302 -7.348 5.720 1.00 0.00 H new ATOM 0 HA GLN A 28 5.943 -7.585 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.457 -8.563 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.201 -8.641 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.315 -6.194 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.566 -6.088 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.484 -6.153 8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.777 -6.205 10.468 1.00 0.00 H new ATOM 485 N ASN A 29 4.431 -10.509 5.235 1.00 0.00 N ATOM 486 CA ASN A 29 4.527 -11.919 4.876 1.00 0.00 C ATOM 487 C ASN A 29 4.461 -12.101 3.362 1.00 0.00 C ATOM 488 O ASN A 29 5.168 -12.934 2.795 1.00 0.00 O ATOM 489 CB ASN A 29 3.405 -12.715 5.546 1.00 0.00 C ATOM 490 CG ASN A 29 3.568 -12.789 7.052 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.405 -13.534 7.561 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.767 -12.013 7.772 1.00 0.00 N ATOM 0 H ASN A 29 3.556 -10.248 5.689 1.00 0.00 H new ATOM 0 HA ASN A 29 5.489 -12.293 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.446 -12.255 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.384 -13.725 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.831 -12.019 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.087 -11.411 7.307 1.00 0.00 H new ATOM 499 N PHE A 30 3.607 -11.316 2.714 1.00 0.00 N ATOM 500 CA PHE A 30 3.448 -11.390 1.267 1.00 0.00 C ATOM 501 C PHE A 30 4.768 -11.100 0.559 1.00 0.00 C ATOM 502 O PHE A 30 5.141 -11.789 -0.392 1.00 0.00 O ATOM 503 CB PHE A 30 2.378 -10.401 0.799 1.00 0.00 C ATOM 504 CG PHE A 30 2.121 -10.452 -0.680 1.00 0.00 C ATOM 505 CD1 PHE A 30 2.885 -9.697 -1.556 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.115 -11.254 -1.195 1.00 0.00 C ATOM 507 CE1 PHE A 30 2.649 -9.742 -2.917 1.00 0.00 C ATOM 508 CE2 PHE A 30 0.875 -11.303 -2.555 1.00 0.00 C ATOM 509 CZ PHE A 30 1.644 -10.546 -3.417 1.00 0.00 C ATOM 0 H PHE A 30 3.014 -10.621 3.168 1.00 0.00 H new ATOM 0 HA PHE A 30 3.134 -12.402 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.448 -10.607 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.684 -9.391 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.673 -9.067 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.511 -11.848 -0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.251 -9.148 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.088 -11.932 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.460 -10.583 -4.480 1.00 0.00 H new ATOM 519 N LEU A 31 5.472 -10.075 1.028 1.00 0.00 N ATOM 520 CA LEU A 31 6.751 -9.692 0.441 1.00 0.00 C ATOM 521 C LEU A 31 7.913 -10.192 1.293 1.00 0.00 C ATOM 522 O LEU A 31 8.908 -9.491 1.477 1.00 0.00 O ATOM 523 CB LEU A 31 6.831 -8.172 0.291 1.00 0.00 C ATOM 524 CG LEU A 31 5.683 -7.512 -0.475 1.00 0.00 C ATOM 525 CD1 LEU A 31 5.798 -5.997 -0.406 1.00 0.00 C ATOM 526 CD2 LEU A 31 5.668 -7.983 -1.922 1.00 0.00 C ATOM 0 H LEU A 31 5.178 -9.494 1.813 1.00 0.00 H new ATOM 0 HA LEU A 31 6.823 -10.153 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.878 -7.731 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.766 -7.925 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 31 4.743 -7.806 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.973 -5.544 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.759 -5.676 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.744 -5.683 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.845 -7.504 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.611 -7.719 -2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.537 -9.065 -1.951 1.00 0.00 H new ATOM 538 N SER A 32 7.780 -11.409 1.810 1.00 0.00 N ATOM 539 CA SER A 32 8.819 -12.003 2.645 1.00 0.00 C ATOM 540 C SER A 32 10.153 -12.043 1.906 1.00 0.00 C ATOM 541 O SER A 32 11.217 -11.970 2.519 1.00 0.00 O ATOM 542 CB SER A 32 8.415 -13.416 3.070 1.00 0.00 C ATOM 543 OG SER A 32 8.464 -14.312 1.973 1.00 0.00 O ATOM 0 H SER A 32 6.964 -12.003 1.666 1.00 0.00 H new ATOM 0 HA SER A 32 8.935 -11.383 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.080 -13.766 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.408 -13.400 3.486 1.00 0.00 H new ATOM 0 HG SER A 32 8.203 -15.208 2.271 1.00 0.00 H new ATOM 549 N ASP A 33 10.086 -12.161 0.584 1.00 0.00 N ATOM 550 CA ASP A 33 11.288 -12.210 -0.241 1.00 0.00 C ATOM 551 C ASP A 33 12.041 -10.885 -0.183 1.00 0.00 C ATOM 552 O ASP A 33 13.205 -10.803 -0.578 1.00 0.00 O ATOM 553 CB ASP A 33 10.924 -12.542 -1.689 1.00 0.00 C ATOM 554 CG ASP A 33 10.380 -13.949 -1.842 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.525 -14.346 -1.023 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.810 -14.652 -2.780 1.00 0.00 O ATOM 0 H ASP A 33 9.213 -12.224 0.061 1.00 0.00 H new ATOM 0 HA ASP A 33 11.937 -12.993 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.182 -11.828 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.807 -12.427 -2.318 1.00 0.00 H new ATOM 561 N CYS A 34 11.370 -9.850 0.310 1.00 0.00 N ATOM 562 CA CYS A 34 11.976 -8.527 0.417 1.00 0.00 C ATOM 563 C CYS A 34 12.251 -8.172 1.875 1.00 0.00 C ATOM 564 O CYS A 34 11.593 -8.679 2.784 1.00 0.00 O ATOM 565 CB CYS A 34 11.064 -7.473 -0.214 1.00 0.00 C ATOM 566 SG CYS A 34 9.802 -6.823 0.905 1.00 0.00 S ATOM 0 H CYS A 34 10.407 -9.901 0.642 1.00 0.00 H new ATOM 0 HA CYS A 34 12.925 -8.544 -0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.677 -6.646 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.573 -7.907 -1.085 1.00 0.00 H new ATOM 0 HG CYS A 34 9.251 -7.805 1.555 1.00 0.00 H new ATOM 572 N THR A 35 13.229 -7.298 2.091 1.00 0.00 N ATOM 573 CA THR A 35 13.593 -6.877 3.438 1.00 0.00 C ATOM 574 C THR A 35 13.029 -5.497 3.754 1.00 0.00 C ATOM 575 O THR A 35 13.763 -4.508 3.784 1.00 0.00 O ATOM 576 CB THR A 35 15.122 -6.849 3.623 1.00 0.00 C ATOM 577 OG1 THR A 35 15.669 -8.151 3.385 1.00 0.00 O ATOM 578 CG2 THR A 35 15.489 -6.388 5.026 1.00 0.00 C ATOM 0 H THR A 35 13.783 -6.868 1.350 1.00 0.00 H new ATOM 0 HA THR A 35 13.164 -7.607 4.124 1.00 0.00 H new ATOM 0 HB THR A 35 15.540 -6.143 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.641 -8.124 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.574 -6.376 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.097 -5.385 5.194 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.060 -7.072 5.758 1.00 0.00 H new ATOM 586 N ILE A 36 11.723 -5.436 3.990 1.00 0.00 N ATOM 587 CA ILE A 36 11.062 -4.176 4.306 1.00 0.00 C ATOM 588 C ILE A 36 11.840 -3.396 5.360 1.00 0.00 C ATOM 589 O ILE A 36 12.301 -3.961 6.352 1.00 0.00 O ATOM 590 CB ILE A 36 9.625 -4.405 4.810 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.803 -5.148 3.755 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.969 -3.079 5.163 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.560 -5.807 4.310 1.00 0.00 C ATOM 0 H ILE A 36 11.102 -6.245 3.968 1.00 0.00 H new ATOM 0 HA ILE A 36 11.027 -3.598 3.382 1.00 0.00 H new ATOM 0 HB ILE A 36 9.666 -5.018 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.514 -4.447 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.429 -5.908 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.954 -3.258 5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.545 -2.585 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.937 -2.442 4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.027 -6.315 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.843 -6.533 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.913 -5.049 4.752 1.00 0.00 H new ATOM 605 N HIS A 37 11.982 -2.093 5.139 1.00 0.00 N ATOM 606 CA HIS A 37 12.702 -1.233 6.071 1.00 0.00 C ATOM 607 C HIS A 37 11.823 -0.866 7.263 1.00 0.00 C ATOM 608 O HIS A 37 10.687 -0.421 7.095 1.00 0.00 O ATOM 609 CB HIS A 37 13.179 0.036 5.364 1.00 0.00 C ATOM 610 CG HIS A 37 13.498 1.160 6.301 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.720 1.294 6.926 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.748 2.207 6.716 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.706 2.374 7.687 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.521 2.946 7.577 1.00 0.00 N ATOM 0 H HIS A 37 11.608 -1.610 4.322 1.00 0.00 H new ATOM 0 HA HIS A 37 13.569 -1.783 6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.066 -0.198 4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.409 0.364 4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.731 2.421 6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.525 2.729 8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.228 3.798 8.054 1.00 0.00 H new ATOM 623 N ASP A 38 12.355 -1.056 8.465 1.00 0.00 N ATOM 624 CA ASP A 38 11.619 -0.745 9.685 1.00 0.00 C ATOM 625 C ASP A 38 10.356 -1.595 9.789 1.00 0.00 C ATOM 626 O ASP A 38 9.389 -1.210 10.445 1.00 0.00 O ATOM 627 CB ASP A 38 11.253 0.740 9.720 1.00 0.00 C ATOM 628 CG ASP A 38 12.475 1.637 9.738 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.604 1.103 9.707 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.302 2.873 9.782 1.00 0.00 O ATOM 0 H ASP A 38 13.293 -1.424 8.621 1.00 0.00 H new ATOM 0 HA ASP A 38 12.261 -0.974 10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.642 0.981 8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.645 0.941 10.602 1.00 0.00 H new ATOM 635 N GLY A 39 10.373 -2.754 9.137 1.00 0.00 N ATOM 636 CA GLY A 39 9.224 -3.640 9.169 1.00 0.00 C ATOM 637 C GLY A 39 7.910 -2.885 9.145 1.00 0.00 C ATOM 638 O GLY A 39 7.719 -1.980 8.332 1.00 0.00 O ATOM 0 H GLY A 39 11.162 -3.095 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.267 -4.316 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.269 -4.256 10.067 1.00 0.00 H new ATOM 642 N VAL A 40 6.999 -3.259 10.038 1.00 0.00 N ATOM 643 CA VAL A 40 5.694 -2.612 10.116 1.00 0.00 C ATOM 644 C VAL A 40 5.817 -1.103 9.930 1.00 0.00 C ATOM 645 O VAL A 40 4.911 -0.456 9.407 1.00 0.00 O ATOM 646 CB VAL A 40 5.006 -2.898 11.464 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.656 -4.373 11.582 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.892 -2.457 12.618 1.00 0.00 C ATOM 0 H VAL A 40 7.140 -4.006 10.717 1.00 0.00 H new ATOM 0 HA VAL A 40 5.086 -3.026 9.311 1.00 0.00 H new ATOM 0 HB VAL A 40 4.080 -2.325 11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.171 -4.556 12.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.980 -4.652 10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.566 -4.969 11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.390 -2.667 13.563 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.836 -3.001 12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.086 -1.387 12.540 1.00 0.00 H new ATOM 658 N ALA A 41 6.946 -0.550 10.362 1.00 0.00 N ATOM 659 CA ALA A 41 7.189 0.882 10.242 1.00 0.00 C ATOM 660 C ALA A 41 7.712 1.235 8.853 1.00 0.00 C ATOM 661 O ALA A 41 8.397 2.241 8.674 1.00 0.00 O ATOM 662 CB ALA A 41 8.170 1.343 11.310 1.00 0.00 C ATOM 0 H ALA A 41 7.706 -1.072 10.798 1.00 0.00 H new ATOM 0 HA ALA A 41 6.241 1.400 10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.342 2.415 11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.758 1.134 12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.114 0.811 11.191 1.00 0.00 H new ATOM 668 N GLY A 42 7.384 0.400 7.872 1.00 0.00 N ATOM 669 CA GLY A 42 7.830 0.641 6.512 1.00 0.00 C ATOM 670 C GLY A 42 6.727 0.429 5.495 1.00 0.00 C ATOM 671 O GLY A 42 6.925 0.646 4.299 1.00 0.00 O ATOM 0 H GLY A 42 6.817 -0.439 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.204 1.662 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.664 -0.023 6.283 1.00 0.00 H new ATOM 675 N VAL A 43 5.560 0.001 5.968 1.00 0.00 N ATOM 676 CA VAL A 43 4.421 -0.241 5.091 1.00 0.00 C ATOM 677 C VAL A 43 3.410 0.896 5.177 1.00 0.00 C ATOM 678 O VAL A 43 2.893 1.202 6.252 1.00 0.00 O ATOM 679 CB VAL A 43 3.718 -1.567 5.437 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.526 -1.795 4.521 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.697 -2.728 5.351 1.00 0.00 C ATOM 0 H VAL A 43 5.379 -0.185 6.954 1.00 0.00 H new ATOM 0 HA VAL A 43 4.811 -0.300 4.075 1.00 0.00 H new ATOM 0 HB VAL A 43 3.351 -1.506 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.042 -2.737 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.815 -0.977 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.865 -1.835 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.183 -3.657 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.096 -2.793 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.515 -2.567 6.054 1.00 0.00 H new ATOM 691 N HIS A 44 3.130 1.519 4.036 1.00 0.00 N ATOM 692 CA HIS A 44 2.178 2.623 3.982 1.00 0.00 C ATOM 693 C HIS A 44 0.936 2.231 3.188 1.00 0.00 C ATOM 694 O HIS A 44 1.005 2.000 1.981 1.00 0.00 O ATOM 695 CB HIS A 44 2.830 3.856 3.356 1.00 0.00 C ATOM 696 CG HIS A 44 4.115 4.253 4.013 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.204 5.274 4.937 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.368 3.760 3.878 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.457 5.392 5.340 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.184 4.484 4.713 1.00 0.00 N ATOM 0 H HIS A 44 3.548 1.278 3.137 1.00 0.00 H new ATOM 0 HA HIS A 44 1.875 2.860 5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.017 3.661 2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.132 4.692 3.408 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.670 2.948 3.233 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.824 6.109 6.060 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.187 4.344 4.830 1.00 0.00 H new ATOM 709 N PHE A 45 -0.200 2.156 3.874 1.00 0.00 N ATOM 710 CA PHE A 45 -1.458 1.790 3.233 1.00 0.00 C ATOM 711 C PHE A 45 -2.164 3.023 2.678 1.00 0.00 C ATOM 712 O PHE A 45 -1.952 4.139 3.152 1.00 0.00 O ATOM 713 CB PHE A 45 -2.370 1.069 4.227 1.00 0.00 C ATOM 714 CG PHE A 45 -2.096 -0.404 4.334 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.134 -0.881 5.211 1.00 0.00 C ATOM 716 CD2 PHE A 45 -2.799 -1.311 3.559 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.879 -2.235 5.311 1.00 0.00 C ATOM 718 CE2 PHE A 45 -2.549 -2.667 3.655 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.588 -3.130 4.533 1.00 0.00 C ATOM 0 H PHE A 45 -0.275 2.344 4.874 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.233 1.118 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.254 1.524 5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.408 1.216 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.578 -0.186 5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.552 -0.955 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.126 -2.594 5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.104 -3.364 3.044 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.391 -4.189 4.611 1.00 0.00 H new ATOM 729 N ILE A 46 -3.005 2.812 1.671 1.00 0.00 N ATOM 730 CA ILE A 46 -3.744 3.906 1.052 1.00 0.00 C ATOM 731 C ILE A 46 -5.225 3.839 1.407 1.00 0.00 C ATOM 732 O ILE A 46 -5.838 2.772 1.363 1.00 0.00 O ATOM 733 CB ILE A 46 -3.594 3.889 -0.481 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.127 3.695 -0.870 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.140 5.176 -1.080 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.290 4.945 -0.714 1.00 0.00 C ATOM 0 H ILE A 46 -3.192 1.894 1.267 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.321 4.833 1.441 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.169 3.053 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.699 2.902 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.076 3.360 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.027 5.149 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.196 5.276 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.589 6.027 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.262 4.733 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.693 5.734 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.311 5.269 0.326 1.00 0.00 H new ATOM 881 N GLY A 55 -7.188 0.119 -1.410 1.00 0.00 N ATOM 882 CA GLY A 55 -6.651 -1.100 -1.986 1.00 0.00 C ATOM 883 C GLY A 55 -5.157 -1.017 -2.230 1.00 0.00 C ATOM 884 O GLY A 55 -4.440 -2.003 -2.068 1.00 0.00 O ATOM 0 HA2 GLY A 55 -6.861 -1.936 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.159 -1.308 -2.928 1.00 0.00 H new ATOM 888 N GLU A 56 -4.688 0.164 -2.623 1.00 0.00 N ATOM 889 CA GLU A 56 -3.270 0.370 -2.892 1.00 0.00 C ATOM 890 C GLU A 56 -2.498 0.601 -1.596 1.00 0.00 C ATOM 891 O GLU A 56 -3.008 1.215 -0.659 1.00 0.00 O ATOM 892 CB GLU A 56 -3.074 1.559 -3.834 1.00 0.00 C ATOM 893 CG GLU A 56 -3.575 1.306 -5.246 1.00 0.00 C ATOM 894 CD GLU A 56 -5.019 1.726 -5.437 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.472 2.641 -4.718 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.697 1.140 -6.307 1.00 0.00 O ATOM 0 H GLU A 56 -5.269 0.991 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.883 -0.530 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.592 2.426 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.014 1.810 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.947 1.848 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.475 0.246 -5.478 1.00 0.00 H new ATOM 903 N ALA A 57 -1.266 0.105 -1.551 1.00 0.00 N ATOM 904 CA ALA A 57 -0.423 0.258 -0.372 1.00 0.00 C ATOM 905 C ALA A 57 1.054 0.162 -0.736 1.00 0.00 C ATOM 906 O ALA A 57 1.492 -0.817 -1.341 1.00 0.00 O ATOM 907 CB ALA A 57 -0.780 -0.789 0.672 1.00 0.00 C ATOM 0 H ALA A 57 -0.829 -0.406 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.603 1.248 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.142 -0.663 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.824 -0.671 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.630 -1.785 0.255 1.00 0.00 H new ATOM 913 N PHE A 58 1.818 1.185 -0.367 1.00 0.00 N ATOM 914 CA PHE A 58 3.247 1.216 -0.657 1.00 0.00 C ATOM 915 C PHE A 58 4.038 0.487 0.426 1.00 0.00 C ATOM 916 O PHE A 58 3.540 0.263 1.529 1.00 0.00 O ATOM 917 CB PHE A 58 3.733 2.662 -0.774 1.00 0.00 C ATOM 918 CG PHE A 58 3.153 3.396 -1.949 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.807 3.722 -1.983 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.954 3.762 -3.018 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.271 4.397 -3.063 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.424 4.438 -4.101 1.00 0.00 C ATOM 923 CZ PHE A 58 2.080 4.756 -4.123 1.00 0.00 C ATOM 0 H PHE A 58 1.471 2.003 0.133 1.00 0.00 H new ATOM 0 HA PHE A 58 3.411 0.707 -1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.478 3.198 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.820 2.666 -0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.170 3.446 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.006 3.516 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.220 4.644 -3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.060 4.717 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.663 5.284 -4.967 1.00 0.00 H new ATOM 933 N VAL A 59 5.273 0.120 0.101 1.00 0.00 N ATOM 934 CA VAL A 59 6.134 -0.583 1.045 1.00 0.00 C ATOM 935 C VAL A 59 7.599 -0.223 0.825 1.00 0.00 C ATOM 936 O VAL A 59 8.101 -0.280 -0.297 1.00 0.00 O ATOM 937 CB VAL A 59 5.969 -2.110 0.926 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.852 -2.823 1.938 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.511 -2.503 1.107 1.00 0.00 C ATOM 0 H VAL A 59 5.700 0.298 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 59 5.831 -0.269 2.044 1.00 0.00 H new ATOM 0 HB VAL A 59 6.283 -2.416 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.722 -3.901 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.895 -2.565 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.573 -2.515 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.412 -3.585 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.168 -2.185 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.906 -2.021 0.339 1.00 0.00 H new ATOM 949 N GLU A 60 8.281 0.147 1.905 1.00 0.00 N ATOM 950 CA GLU A 60 9.689 0.516 1.829 1.00 0.00 C ATOM 951 C GLU A 60 10.583 -0.713 1.970 1.00 0.00 C ATOM 952 O GLU A 60 10.230 -1.676 2.652 1.00 0.00 O ATOM 953 CB GLU A 60 10.031 1.536 2.917 1.00 0.00 C ATOM 954 CG GLU A 60 9.436 2.912 2.670 1.00 0.00 C ATOM 955 CD GLU A 60 9.752 3.893 3.783 1.00 0.00 C ATOM 956 OE1 GLU A 60 10.894 3.869 4.288 1.00 0.00 O ATOM 957 OE2 GLU A 60 8.857 4.683 4.150 1.00 0.00 O ATOM 0 H GLU A 60 7.881 0.199 2.842 1.00 0.00 H new ATOM 0 HA GLU A 60 9.868 0.964 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.676 1.163 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.115 1.626 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.816 3.304 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.355 2.823 2.566 1.00 0.00 H new ATOM 964 N LEU A 61 11.741 -0.673 1.320 1.00 0.00 N ATOM 965 CA LEU A 61 12.686 -1.783 1.372 1.00 0.00 C ATOM 966 C LEU A 61 14.008 -1.344 1.993 1.00 0.00 C ATOM 967 O LEU A 61 14.163 -0.192 2.395 1.00 0.00 O ATOM 968 CB LEU A 61 12.928 -2.337 -0.033 1.00 0.00 C ATOM 969 CG LEU A 61 11.683 -2.774 -0.807 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.063 -3.273 -2.192 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.928 -3.849 -0.039 1.00 0.00 C ATOM 0 H LEU A 61 12.048 0.116 0.751 1.00 0.00 H new ATOM 0 HA LEU A 61 12.256 -2.566 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.446 -1.576 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.600 -3.191 0.046 1.00 0.00 H new ATOM 0 HG LEU A 61 11.028 -1.910 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.164 -3.579 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.559 -2.474 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.738 -4.124 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.045 -4.148 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.575 -4.714 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.622 -3.456 0.931 1.00 0.00 H new ATOM 983 N GLU A 62 14.958 -2.271 2.065 1.00 0.00 N ATOM 984 CA GLU A 62 16.268 -1.978 2.636 1.00 0.00 C ATOM 985 C GLU A 62 17.272 -1.625 1.542 1.00 0.00 C ATOM 986 O GLU A 62 17.983 -0.625 1.636 1.00 0.00 O ATOM 987 CB GLU A 62 16.776 -3.174 3.443 1.00 0.00 C ATOM 988 CG GLU A 62 18.122 -2.934 4.105 1.00 0.00 C ATOM 989 CD GLU A 62 18.000 -2.213 5.433 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.711 -0.998 5.423 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.192 -2.863 6.482 1.00 0.00 O ATOM 0 H GLU A 62 14.846 -3.230 1.736 1.00 0.00 H new ATOM 0 HA GLU A 62 16.163 -1.119 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.042 -3.422 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.854 -4.039 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.622 -3.890 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.753 -2.349 3.435 1.00 0.00 H new ATOM 998 N SER A 63 17.323 -2.455 0.505 1.00 0.00 N ATOM 999 CA SER A 63 18.242 -2.234 -0.606 1.00 0.00 C ATOM 1000 C SER A 63 17.539 -2.443 -1.943 1.00 0.00 C ATOM 1001 O SER A 63 16.346 -2.744 -1.988 1.00 0.00 O ATOM 1002 CB SER A 63 19.443 -3.176 -0.496 1.00 0.00 C ATOM 1003 OG SER A 63 20.051 -3.080 0.780 1.00 0.00 O ATOM 0 H SER A 63 16.739 -3.286 0.411 1.00 0.00 H new ATOM 0 HA SER A 63 18.591 -1.203 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.122 -4.202 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.172 -2.933 -1.269 1.00 0.00 H new ATOM 0 HG SER A 63 20.815 -3.693 0.825 1.00 0.00 H new ATOM 1009 N GLU A 64 18.287 -2.280 -3.030 1.00 0.00 N ATOM 1010 CA GLU A 64 17.734 -2.450 -4.369 1.00 0.00 C ATOM 1011 C GLU A 64 17.221 -3.873 -4.570 1.00 0.00 C ATOM 1012 O GLU A 64 16.061 -4.081 -4.923 1.00 0.00 O ATOM 1013 CB GLU A 64 18.792 -2.123 -5.426 1.00 0.00 C ATOM 1014 CG GLU A 64 18.222 -1.955 -6.825 1.00 0.00 C ATOM 1015 CD GLU A 64 19.218 -1.341 -7.790 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.004 -0.472 -7.357 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.211 -1.728 -8.977 1.00 0.00 O ATOM 0 H GLU A 64 19.276 -2.031 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 64 16.896 -1.762 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.308 -1.206 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.538 -2.918 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.906 -2.927 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.332 -1.327 -6.778 1.00 0.00 H new ATOM 1024 N ASP A 65 18.095 -4.847 -4.342 1.00 0.00 N ATOM 1025 CA ASP A 65 17.731 -6.251 -4.498 1.00 0.00 C ATOM 1026 C ASP A 65 16.288 -6.490 -4.064 1.00 0.00 C ATOM 1027 O ASP A 65 15.539 -7.204 -4.731 1.00 0.00 O ATOM 1028 CB ASP A 65 18.675 -7.137 -3.683 1.00 0.00 C ATOM 1029 CG ASP A 65 19.900 -7.557 -4.472 1.00 0.00 C ATOM 1030 OD1 ASP A 65 20.535 -6.680 -5.094 1.00 0.00 O ATOM 1031 OD2 ASP A 65 20.223 -8.763 -4.468 1.00 0.00 O ATOM 0 H ASP A 65 19.059 -4.691 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 65 17.821 -6.510 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.989 -6.601 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.138 -8.026 -3.351 1.00 0.00 H new ATOM 1036 N ASP A 66 15.906 -5.889 -2.942 1.00 0.00 N ATOM 1037 CA ASP A 66 14.553 -6.036 -2.419 1.00 0.00 C ATOM 1038 C ASP A 66 13.518 -5.697 -3.487 1.00 0.00 C ATOM 1039 O ASP A 66 12.562 -6.443 -3.699 1.00 0.00 O ATOM 1040 CB ASP A 66 14.356 -5.139 -1.196 1.00 0.00 C ATOM 1041 CG ASP A 66 15.063 -5.674 0.034 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.268 -6.903 0.114 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.412 -4.863 0.917 1.00 0.00 O ATOM 0 H ASP A 66 16.514 -5.296 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 66 14.415 -7.076 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.728 -4.139 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.291 -5.044 -0.987 1.00 0.00 H new ATOM 1048 N VAL A 67 13.713 -4.564 -4.155 1.00 0.00 N ATOM 1049 CA VAL A 67 12.797 -4.125 -5.200 1.00 0.00 C ATOM 1050 C VAL A 67 12.602 -5.212 -6.252 1.00 0.00 C ATOM 1051 O VAL A 67 11.482 -5.660 -6.498 1.00 0.00 O ATOM 1052 CB VAL A 67 13.303 -2.844 -5.889 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.289 -2.349 -6.908 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.603 -1.768 -4.857 1.00 0.00 C ATOM 0 H VAL A 67 14.498 -3.934 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 67 11.843 -3.915 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 67 14.228 -3.077 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.664 -1.443 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.129 -3.117 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.346 -2.131 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.959 -0.870 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.696 -1.535 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.369 -2.127 -4.170 1.00 0.00 H new ATOM 1064 N LYS A 68 13.701 -5.632 -6.871 1.00 0.00 N ATOM 1065 CA LYS A 68 13.653 -6.667 -7.896 1.00 0.00 C ATOM 1066 C LYS A 68 12.875 -7.884 -7.405 1.00 0.00 C ATOM 1067 O LYS A 68 12.112 -8.491 -8.158 1.00 0.00 O ATOM 1068 CB LYS A 68 15.070 -7.083 -8.296 1.00 0.00 C ATOM 1069 CG LYS A 68 15.943 -5.921 -8.737 1.00 0.00 C ATOM 1070 CD LYS A 68 17.392 -6.347 -8.913 1.00 0.00 C ATOM 1071 CE LYS A 68 18.346 -5.186 -8.677 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.654 -5.397 -9.357 1.00 0.00 N ATOM 0 H LYS A 68 14.636 -5.271 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 68 13.141 -6.257 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.545 -7.583 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.011 -7.810 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.565 -5.517 -9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.885 -5.121 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.622 -7.155 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.537 -6.740 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.893 -4.264 -9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.509 -5.061 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.276 -4.584 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.099 -6.264 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.502 -5.490 -10.382 1.00 0.00 H new ATOM 1086 N LEU A 69 13.071 -8.234 -6.139 1.00 0.00 N ATOM 1087 CA LEU A 69 12.386 -9.378 -5.546 1.00 0.00 C ATOM 1088 C LEU A 69 10.885 -9.122 -5.446 1.00 0.00 C ATOM 1089 O LEU A 69 10.076 -9.941 -5.878 1.00 0.00 O ATOM 1090 CB LEU A 69 12.957 -9.677 -4.159 1.00 0.00 C ATOM 1091 CG LEU A 69 14.449 -10.009 -4.105 1.00 0.00 C ATOM 1092 CD1 LEU A 69 14.984 -9.832 -2.693 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.697 -11.427 -4.598 1.00 0.00 C ATOM 0 H LEU A 69 13.699 -7.742 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 69 12.547 -10.241 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.774 -8.814 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.403 -10.514 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 69 14.980 -9.319 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.047 -10.073 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.840 -8.799 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.449 -10.497 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.764 -11.647 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.155 -12.132 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.351 -11.520 -5.627 1.00 0.00 H new ATOM 1105 N ALA A 70 10.522 -7.978 -4.876 1.00 0.00 N ATOM 1106 CA ALA A 70 9.119 -7.611 -4.723 1.00 0.00 C ATOM 1107 C ALA A 70 8.384 -7.690 -6.056 1.00 0.00 C ATOM 1108 O ALA A 70 7.234 -8.127 -6.118 1.00 0.00 O ATOM 1109 CB ALA A 70 9.000 -6.214 -4.133 1.00 0.00 C ATOM 0 H ALA A 70 11.180 -7.289 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 70 8.655 -8.322 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.947 -5.953 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.483 -6.189 -3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.485 -5.497 -4.795 1.00 0.00 H new ATOM 1115 N LEU A 71 9.052 -7.263 -7.122 1.00 0.00 N ATOM 1116 CA LEU A 71 8.461 -7.284 -8.455 1.00 0.00 C ATOM 1117 C LEU A 71 8.149 -8.712 -8.890 1.00 0.00 C ATOM 1118 O LEU A 71 7.321 -8.937 -9.773 1.00 0.00 O ATOM 1119 CB LEU A 71 9.405 -6.627 -9.464 1.00 0.00 C ATOM 1120 CG LEU A 71 9.632 -5.124 -9.291 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.765 -4.649 -10.187 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.354 -4.354 -9.590 1.00 0.00 C ATOM 0 H LEU A 71 10.004 -6.898 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 71 7.528 -6.722 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.371 -7.129 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.013 -6.802 -10.466 1.00 0.00 H new ATOM 0 HG LEU A 71 9.912 -4.935 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.912 -3.578 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.682 -5.177 -9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.514 -4.851 -11.228 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.534 -3.287 -9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.043 -4.549 -10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.568 -4.674 -8.906 1.00 0.00 H new ATOM 1134 N LYS A 72 8.815 -9.675 -8.262 1.00 0.00 N ATOM 1135 CA LYS A 72 8.607 -11.083 -8.580 1.00 0.00 C ATOM 1136 C LYS A 72 7.289 -11.583 -7.999 1.00 0.00 C ATOM 1137 O LYS A 72 6.808 -12.658 -8.358 1.00 0.00 O ATOM 1138 CB LYS A 72 9.766 -11.925 -8.043 1.00 0.00 C ATOM 1139 CG LYS A 72 11.121 -11.517 -8.594 1.00 0.00 C ATOM 1140 CD LYS A 72 12.186 -12.555 -8.280 1.00 0.00 C ATOM 1141 CE LYS A 72 13.584 -12.018 -8.548 1.00 0.00 C ATOM 1142 NZ LYS A 72 13.995 -12.221 -9.965 1.00 0.00 N ATOM 0 H LYS A 72 9.504 -9.506 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 72 8.566 -11.183 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.787 -11.848 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.585 -12.972 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.050 -11.382 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.412 -10.556 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.105 -12.857 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.016 -13.447 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.616 -10.955 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.296 -12.514 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.953 -11.842 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.989 -13.237 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.330 -11.726 -10.594 1.00 0.00 H new ATOM 1156 N LYS A 73 6.708 -10.797 -7.099 1.00 0.00 N ATOM 1157 CA LYS A 73 5.443 -11.157 -6.469 1.00 0.00 C ATOM 1158 C LYS A 73 4.262 -10.649 -7.290 1.00 0.00 C ATOM 1159 O LYS A 73 3.129 -10.615 -6.809 1.00 0.00 O ATOM 1160 CB LYS A 73 5.375 -10.587 -5.051 1.00 0.00 C ATOM 1161 CG LYS A 73 6.669 -10.742 -4.271 1.00 0.00 C ATOM 1162 CD LYS A 73 6.950 -12.198 -3.939 1.00 0.00 C ATOM 1163 CE LYS A 73 6.185 -12.645 -2.702 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.949 -14.115 -2.698 1.00 0.00 N ATOM 0 H LYS A 73 7.094 -9.905 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 73 5.387 -12.244 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.118 -9.529 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.571 -11.083 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.496 -10.334 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.611 -10.163 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.673 -12.826 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.019 -12.336 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.743 -12.364 -1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.229 -12.123 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.425 -14.380 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.395 -14.380 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.862 -14.613 -2.714 1.00 0.00 H new ATOM 1178 N ASP A 74 4.534 -10.257 -8.530 1.00 0.00 N ATOM 1179 CA ASP A 74 3.493 -9.754 -9.418 1.00 0.00 C ATOM 1180 C ASP A 74 2.540 -10.872 -9.828 1.00 0.00 C ATOM 1181 O ASP A 74 2.948 -12.024 -9.980 1.00 0.00 O ATOM 1182 CB ASP A 74 4.118 -9.118 -10.662 1.00 0.00 C ATOM 1183 CG ASP A 74 3.223 -9.230 -11.880 1.00 0.00 C ATOM 1184 OD1 ASP A 74 2.158 -8.578 -11.896 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.586 -9.971 -12.818 1.00 0.00 O ATOM 0 H ASP A 74 5.467 -10.278 -8.943 1.00 0.00 H new ATOM 0 HA ASP A 74 2.924 -8.997 -8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.327 -8.067 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.074 -9.599 -10.871 1.00 0.00 H new ATOM 1190 N ARG A 75 1.269 -10.525 -10.003 1.00 0.00 N ATOM 1191 CA ARG A 75 0.258 -11.500 -10.392 1.00 0.00 C ATOM 1192 C ARG A 75 0.203 -12.654 -9.395 1.00 0.00 C ATOM 1193 O ARG A 75 -0.107 -13.787 -9.760 1.00 0.00 O ATOM 1194 CB ARG A 75 0.549 -12.037 -11.794 1.00 0.00 C ATOM 1195 CG ARG A 75 -0.108 -11.232 -12.904 1.00 0.00 C ATOM 1196 CD ARG A 75 0.538 -11.511 -14.252 1.00 0.00 C ATOM 1197 NE ARG A 75 -0.267 -11.004 -15.360 1.00 0.00 N ATOM 1198 CZ ARG A 75 -1.325 -11.640 -15.851 1.00 0.00 C ATOM 1199 NH1 ARG A 75 -1.703 -12.802 -15.335 1.00 0.00 N ATOM 1200 NH2 ARG A 75 -2.007 -11.115 -16.861 1.00 0.00 N ATOM 0 H ARG A 75 0.915 -9.576 -9.881 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.710 -10.999 -10.396 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.627 -12.047 -11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.208 -13.071 -11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.170 -11.474 -12.951 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.033 -10.169 -12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.526 -11.052 -14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.681 -12.585 -14.370 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.002 -10.113 -15.780 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.181 -13.209 -14.559 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.516 -13.288 -15.714 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.719 -10.222 -17.261 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.819 -11.604 -17.237 1.00 0.00 H new ATOM 1214 N GLU A 76 0.506 -12.356 -8.136 1.00 0.00 N ATOM 1215 CA GLU A 76 0.493 -13.369 -7.087 1.00 0.00 C ATOM 1216 C GLU A 76 -0.898 -13.497 -6.471 1.00 0.00 C ATOM 1217 O GLU A 76 -1.842 -12.835 -6.902 1.00 0.00 O ATOM 1218 CB GLU A 76 1.514 -13.025 -6.001 1.00 0.00 C ATOM 1219 CG GLU A 76 2.897 -13.600 -6.261 1.00 0.00 C ATOM 1220 CD GLU A 76 3.005 -15.060 -5.868 1.00 0.00 C ATOM 1221 OE1 GLU A 76 1.973 -15.762 -5.906 1.00 0.00 O ATOM 1222 OE2 GLU A 76 4.121 -15.501 -5.522 1.00 0.00 O ATOM 0 H GLU A 76 0.763 -11.422 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 76 0.761 -14.324 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.591 -11.941 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.150 -13.395 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.138 -13.494 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.637 -13.023 -5.706 1.00 0.00 H new ATOM 1229 N SER A 77 -1.015 -14.352 -5.461 1.00 0.00 N ATOM 1230 CA SER A 77 -2.290 -14.570 -4.788 1.00 0.00 C ATOM 1231 C SER A 77 -2.137 -14.434 -3.276 1.00 0.00 C ATOM 1232 O SER A 77 -1.517 -15.276 -2.626 1.00 0.00 O ATOM 1233 CB SER A 77 -2.843 -15.954 -5.133 1.00 0.00 C ATOM 1234 OG SER A 77 -1.938 -16.975 -4.751 1.00 0.00 O ATOM 0 H SER A 77 -0.242 -14.905 -5.090 1.00 0.00 H new ATOM 0 HA SER A 77 -2.990 -13.810 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.798 -16.103 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.035 -16.016 -6.204 1.00 0.00 H new ATOM 0 HG SER A 77 -1.479 -16.713 -3.926 1.00 0.00 H new ATOM 1240 N MET A 78 -2.705 -13.368 -2.723 1.00 0.00 N ATOM 1241 CA MET A 78 -2.633 -13.121 -1.288 1.00 0.00 C ATOM 1242 C MET A 78 -3.941 -13.505 -0.604 1.00 0.00 C ATOM 1243 O MET A 78 -4.951 -12.815 -0.740 1.00 0.00 O ATOM 1244 CB MET A 78 -2.315 -11.649 -1.017 1.00 0.00 C ATOM 1245 CG MET A 78 -2.393 -11.272 0.454 1.00 0.00 C ATOM 1246 SD MET A 78 -2.577 -9.496 0.706 1.00 0.00 S ATOM 1247 CE MET A 78 -0.874 -8.957 0.577 1.00 0.00 C ATOM 0 H MET A 78 -3.221 -12.661 -3.247 1.00 0.00 H new ATOM 0 HA MET A 78 -1.834 -13.739 -0.878 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.314 -11.428 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.009 -11.026 -1.581 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.235 -11.790 0.914 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.492 -11.616 0.962 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.801 -7.909 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.250 -9.561 1.236 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.533 -9.073 -0.452 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.917 -14.612 0.133 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.107 -15.069 0.826 1.00 0.00 C ATOM 1259 C GLY A 79 -6.143 -15.646 -0.118 1.00 0.00 C ATOM 1260 O GLY A 79 -6.107 -16.835 -0.439 1.00 0.00 O ATOM 0 H GLY A 79 -3.094 -15.200 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.828 -15.825 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.545 -14.236 1.376 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.069 -14.804 -0.564 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.121 -15.238 -1.477 1.00 0.00 C ATOM 1266 C HIS A 80 -8.286 -14.248 -2.626 1.00 0.00 C ATOM 1267 O HIS A 80 -9.267 -14.301 -3.368 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.445 -15.392 -0.727 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.986 -14.101 -0.196 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.084 -13.466 -0.736 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.574 -13.326 0.835 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.324 -12.356 -0.061 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.422 -12.247 0.897 1.00 0.00 N ATOM 0 H HIS A 80 -7.113 -13.817 -0.308 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.832 -16.204 -1.892 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.182 -15.838 -1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.305 -16.086 0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.735 -13.520 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.123 -11.656 -0.259 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.364 -11.486 1.573 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.321 -13.345 -2.766 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.361 -12.342 -3.823 1.00 0.00 C ATOM 1284 C ARG A 81 -6.016 -12.252 -4.538 1.00 0.00 C ATOM 1285 O ARG A 81 -5.033 -12.860 -4.112 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.735 -10.976 -3.245 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.147 -10.917 -2.687 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.625 -9.482 -2.529 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.118 -8.928 -3.787 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.348 -9.128 -4.246 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -12.206 -9.866 -3.554 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -11.723 -8.591 -5.400 1.00 0.00 N ATOM 0 H ARG A 81 -6.502 -13.288 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.119 -12.643 -4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.030 -10.720 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.629 -10.220 -4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.824 -11.456 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.179 -11.421 -1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.417 -9.444 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.806 -8.866 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.483 -8.356 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.922 -10.282 -2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.150 -10.018 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.066 -8.024 -5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.668 -8.746 -5.751 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.980 -11.492 -5.627 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.757 -11.325 -6.403 1.00 0.00 C ATOM 1308 C TYR A 82 -4.077 -10.001 -6.071 1.00 0.00 C ATOM 1309 O TYR A 82 -4.742 -8.985 -5.861 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.065 -11.393 -7.900 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.946 -12.783 -8.481 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.841 -13.785 -8.128 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.937 -13.095 -9.385 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.735 -15.057 -8.656 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.824 -14.364 -9.919 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.725 -15.342 -9.551 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.617 -16.607 -10.080 1.00 0.00 O ATOM 0 H TYR A 82 -6.784 -10.982 -5.992 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.077 -12.136 -6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.076 -11.022 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.386 -10.727 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.634 -13.566 -7.428 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.229 -12.332 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.439 -15.824 -8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.035 -14.589 -10.621 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.854 -16.641 -10.694 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.750 -10.019 -6.027 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.979 -8.820 -5.722 1.00 0.00 C ATOM 1329 C ILE A 83 -1.068 -8.442 -6.885 1.00 0.00 C ATOM 1330 O ILE A 83 -0.441 -9.305 -7.500 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.125 -9.007 -4.455 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.954 -9.657 -3.345 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.566 -7.670 -3.991 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.257 -8.942 -3.067 1.00 0.00 C ATOM 0 H ILE A 83 -2.185 -10.851 -6.199 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.697 -8.018 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.290 -9.666 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.167 -10.690 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.362 -9.686 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.036 -7.819 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.055 -7.243 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.388 -6.990 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.792 -9.458 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.051 -7.916 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.869 -8.936 -3.969 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.999 -7.148 -7.180 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.163 -6.656 -8.269 1.00 0.00 C ATOM 1348 C GLU A 84 0.929 -5.729 -7.741 1.00 0.00 C ATOM 1349 O GLU A 84 0.642 -4.679 -7.167 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.016 -5.920 -9.304 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.044 -6.807 -9.987 1.00 0.00 C ATOM 1352 CD GLU A 84 -3.040 -6.016 -10.812 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.601 -5.163 -11.612 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.257 -6.249 -10.658 1.00 0.00 O ATOM 0 H GLU A 84 -1.512 -6.421 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 84 0.312 -7.514 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.530 -5.092 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.361 -5.488 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.531 -7.522 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.579 -7.384 -9.233 1.00 0.00 H new ATOM 1361 N VAL A 85 2.182 -6.127 -7.939 1.00 0.00 N ATOM 1362 CA VAL A 85 3.316 -5.333 -7.484 1.00 0.00 C ATOM 1363 C VAL A 85 3.696 -4.276 -8.515 1.00 0.00 C ATOM 1364 O VAL A 85 3.634 -4.519 -9.721 1.00 0.00 O ATOM 1365 CB VAL A 85 4.543 -6.219 -7.198 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.686 -5.386 -6.638 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.175 -7.344 -6.242 1.00 0.00 C ATOM 0 H VAL A 85 2.437 -6.994 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 85 3.008 -4.842 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 85 4.875 -6.663 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.544 -6.030 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.965 -4.619 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.369 -4.911 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.053 -7.961 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.817 -6.921 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.391 -7.957 -6.686 1.00 0.00 H new ATOM 1377 N PHE A 86 4.091 -3.102 -8.034 1.00 0.00 N ATOM 1378 CA PHE A 86 4.481 -2.007 -8.914 1.00 0.00 C ATOM 1379 C PHE A 86 5.749 -1.326 -8.406 1.00 0.00 C ATOM 1380 O PHE A 86 5.857 -0.990 -7.226 1.00 0.00 O ATOM 1381 CB PHE A 86 3.348 -0.984 -9.023 1.00 0.00 C ATOM 1382 CG PHE A 86 2.163 -1.483 -9.798 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.305 -1.910 -11.108 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.906 -1.524 -9.217 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.216 -2.370 -11.825 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.187 -1.984 -9.928 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.032 -2.406 -11.234 1.00 0.00 C ATOM 0 H PHE A 86 4.149 -2.885 -7.039 1.00 0.00 H new ATOM 0 HA PHE A 86 4.683 -2.422 -9.901 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.025 -0.704 -8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.729 -0.081 -9.499 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.278 -1.883 -11.575 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.778 -1.193 -8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.341 -2.701 -12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.161 -2.013 -9.463 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.885 -2.763 -11.792 1.00 0.00 H new ATOM 1397 N LYS A 87 6.707 -1.127 -9.305 1.00 0.00 N ATOM 1398 CA LYS A 87 7.968 -0.486 -8.951 1.00 0.00 C ATOM 1399 C LYS A 87 7.794 1.024 -8.823 1.00 0.00 C ATOM 1400 O LYS A 87 7.480 1.706 -9.798 1.00 0.00 O ATOM 1401 CB LYS A 87 9.036 -0.801 -10.001 1.00 0.00 C ATOM 1402 CG LYS A 87 10.455 -0.731 -9.465 1.00 0.00 C ATOM 1403 CD LYS A 87 10.864 0.700 -9.154 1.00 0.00 C ATOM 1404 CE LYS A 87 12.307 0.776 -8.680 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.542 1.959 -7.806 1.00 0.00 N ATOM 0 H LYS A 87 6.634 -1.401 -10.285 1.00 0.00 H new ATOM 0 HA LYS A 87 8.289 -0.879 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.857 -1.799 -10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.935 -0.102 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.534 -1.337 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.143 -1.156 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.739 1.317 -10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.206 1.109 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.559 -0.134 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.971 0.825 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.537 1.975 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.326 2.829 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.927 1.900 -6.969 1.00 0.00 H new ATOM 1419 N SER A 88 8.002 1.539 -7.616 1.00 0.00 N ATOM 1420 CA SER A 88 7.866 2.968 -7.361 1.00 0.00 C ATOM 1421 C SER A 88 8.958 3.457 -6.414 1.00 0.00 C ATOM 1422 O SER A 88 9.608 2.663 -5.735 1.00 0.00 O ATOM 1423 CB SER A 88 6.488 3.273 -6.769 1.00 0.00 C ATOM 1424 OG SER A 88 6.078 4.592 -7.086 1.00 0.00 O ATOM 0 H SER A 88 8.265 0.988 -6.799 1.00 0.00 H new ATOM 0 HA SER A 88 7.970 3.493 -8.310 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.758 2.560 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.518 3.148 -5.687 1.00 0.00 H new ATOM 0 HG SER A 88 5.103 4.619 -7.176 1.00 0.00 H new ATOM 1430 N HIS A 89 9.154 4.772 -6.376 1.00 0.00 N ATOM 1431 CA HIS A 89 10.166 5.369 -5.513 1.00 0.00 C ATOM 1432 C HIS A 89 9.535 5.930 -4.242 1.00 0.00 C ATOM 1433 O HIS A 89 8.329 5.805 -4.029 1.00 0.00 O ATOM 1434 CB HIS A 89 10.913 6.476 -6.257 1.00 0.00 C ATOM 1435 CG HIS A 89 10.011 7.521 -6.837 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.778 8.737 -6.228 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.283 7.529 -7.978 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.945 9.445 -6.969 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.630 8.735 -8.037 1.00 0.00 N ATOM 0 H HIS A 89 8.625 5.443 -6.933 1.00 0.00 H new ATOM 0 HA HIS A 89 10.874 4.589 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.615 6.953 -5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.502 6.030 -7.059 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.226 6.734 -8.707 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.583 10.436 -6.740 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.003 9.034 -8.784 1.00 0.00 H new ATOM 1448 N ARG A 90 10.358 6.548 -3.401 1.00 0.00 N ATOM 1449 CA ARG A 90 9.881 7.126 -2.151 1.00 0.00 C ATOM 1450 C ARG A 90 9.238 8.489 -2.393 1.00 0.00 C ATOM 1451 O ARG A 90 8.074 8.707 -2.055 1.00 0.00 O ATOM 1452 CB ARG A 90 11.034 7.264 -1.155 1.00 0.00 C ATOM 1453 CG ARG A 90 10.681 8.086 0.074 1.00 0.00 C ATOM 1454 CD ARG A 90 10.091 7.218 1.174 1.00 0.00 C ATOM 1455 NE ARG A 90 9.636 8.012 2.312 1.00 0.00 N ATOM 1456 CZ ARG A 90 10.440 8.440 3.279 1.00 0.00 C ATOM 1457 NH1 ARG A 90 11.734 8.151 3.246 1.00 0.00 N ATOM 1458 NH2 ARG A 90 9.950 9.157 4.282 1.00 0.00 N ATOM 0 H ARG A 90 11.359 6.661 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 90 9.128 6.457 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.351 6.270 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.884 7.724 -1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.574 8.589 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.968 8.863 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.255 6.645 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.839 6.499 1.509 1.00 0.00 H new ATOM 0 HE ARG A 90 8.646 8.251 2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.114 7.599 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.349 8.481 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.955 9.380 4.311 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.568 9.485 5.024 1.00 0.00 H new ATOM 1472 N THR A 91 10.003 9.403 -2.981 1.00 0.00 N ATOM 1473 CA THR A 91 9.509 10.744 -3.267 1.00 0.00 C ATOM 1474 C THR A 91 8.058 10.708 -3.731 1.00 0.00 C ATOM 1475 O THR A 91 7.302 11.653 -3.507 1.00 0.00 O ATOM 1476 CB THR A 91 10.364 11.439 -4.343 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.749 11.372 -3.989 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.948 12.893 -4.508 1.00 0.00 C ATOM 0 H THR A 91 10.968 9.239 -3.269 1.00 0.00 H new ATOM 0 HA THR A 91 9.576 11.311 -2.338 1.00 0.00 H new ATOM 0 HB THR A 91 10.207 10.922 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.285 11.815 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.566 13.364 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.901 12.940 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.079 13.419 -3.562 1.00 0.00 H new ATOM 1486 N GLU A 92 7.675 9.612 -4.378 1.00 0.00 N ATOM 1487 CA GLU A 92 6.313 9.455 -4.874 1.00 0.00 C ATOM 1488 C GLU A 92 5.363 9.071 -3.743 1.00 0.00 C ATOM 1489 O GLU A 92 4.426 9.804 -3.429 1.00 0.00 O ATOM 1490 CB GLU A 92 6.266 8.394 -5.975 1.00 0.00 C ATOM 1491 CG GLU A 92 4.893 7.770 -6.163 1.00 0.00 C ATOM 1492 CD GLU A 92 4.742 7.085 -7.507 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.346 7.565 -8.489 1.00 0.00 O ATOM 1494 OE2 GLU A 92 4.020 6.069 -7.576 1.00 0.00 O ATOM 0 H GLU A 92 8.288 8.820 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 92 5.992 10.411 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.582 8.845 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.984 7.608 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.716 7.045 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.131 8.543 -6.066 1.00 0.00 H new ATOM 1501 N MET A 93 5.613 7.915 -3.135 1.00 0.00 N ATOM 1502 CA MET A 93 4.781 7.434 -2.038 1.00 0.00 C ATOM 1503 C MET A 93 4.580 8.523 -0.989 1.00 0.00 C ATOM 1504 O MET A 93 3.649 8.460 -0.186 1.00 0.00 O ATOM 1505 CB MET A 93 5.414 6.199 -1.394 1.00 0.00 C ATOM 1506 CG MET A 93 4.716 5.753 -0.119 1.00 0.00 C ATOM 1507 SD MET A 93 5.641 4.489 0.774 1.00 0.00 S ATOM 1508 CE MET A 93 7.059 5.434 1.326 1.00 0.00 C ATOM 0 H MET A 93 6.384 7.295 -3.383 1.00 0.00 H new ATOM 0 HA MET A 93 3.807 7.164 -2.445 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.401 5.378 -2.111 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.460 6.411 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.568 6.616 0.530 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.727 5.367 -0.367 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.967 5.017 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.949 6.472 1.011 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.125 5.390 2.413 1.00 0.00 H new ATOM 1518 N ASP A 94 5.459 9.519 -1.002 1.00 0.00 N ATOM 1519 CA ASP A 94 5.377 10.623 -0.052 1.00 0.00 C ATOM 1520 C ASP A 94 4.195 11.531 -0.374 1.00 0.00 C ATOM 1521 O ASP A 94 3.464 11.955 0.520 1.00 0.00 O ATOM 1522 CB ASP A 94 6.676 11.431 -0.064 1.00 0.00 C ATOM 1523 CG ASP A 94 7.692 10.909 0.932 1.00 0.00 C ATOM 1524 OD1 ASP A 94 8.203 9.788 0.727 1.00 0.00 O ATOM 1525 OD2 ASP A 94 7.977 11.622 1.917 1.00 0.00 O ATOM 0 H ASP A 94 6.236 9.585 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 94 5.228 10.204 0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.107 11.406 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.454 12.474 0.161 1.00 0.00 H new ATOM 1530 N TRP A 95 4.014 11.825 -1.657 1.00 0.00 N ATOM 1531 CA TRP A 95 2.921 12.685 -2.097 1.00 0.00 C ATOM 1532 C TRP A 95 1.597 11.928 -2.091 1.00 0.00 C ATOM 1533 O TRP A 95 0.575 12.449 -1.645 1.00 0.00 O ATOM 1534 CB TRP A 95 3.205 13.229 -3.498 1.00 0.00 C ATOM 1535 CG TRP A 95 2.619 12.389 -4.592 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.302 11.618 -5.488 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.230 12.237 -4.905 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.422 10.996 -6.340 1.00 0.00 N ATOM 1539 CE2 TRP A 95 1.145 11.358 -6.003 1.00 0.00 C ATOM 1540 CE3 TRP A 95 0.051 12.756 -4.364 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.073 10.990 -6.568 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.157 12.390 -4.927 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.212 11.514 -6.019 1.00 0.00 C ATOM 0 H TRP A 95 4.610 11.481 -2.410 1.00 0.00 H new ATOM 0 HA TRP A 95 2.845 13.519 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.807 14.241 -3.574 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.283 13.298 -3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.376 11.513 -5.522 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.678 10.366 -7.101 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.083 13.431 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.118 10.315 -7.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.075 12.786 -4.518 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.172 11.247 -6.436 1.00 0.00 H new ATOM 1554 N VAL A 96 1.623 10.695 -2.589 1.00 0.00 N ATOM 1555 CA VAL A 96 0.425 9.866 -2.639 1.00 0.00 C ATOM 1556 C VAL A 96 -0.175 9.682 -1.250 1.00 0.00 C ATOM 1557 O VAL A 96 -1.386 9.511 -1.102 1.00 0.00 O ATOM 1558 CB VAL A 96 0.726 8.482 -3.244 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.695 8.607 -4.409 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.276 7.545 -2.180 1.00 0.00 C ATOM 0 H VAL A 96 2.461 10.249 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.292 10.384 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.205 8.060 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.895 7.619 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.257 9.242 -5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.628 9.050 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.483 6.572 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.197 7.960 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.543 7.431 -1.382 1.00 0.00 H new ATOM 1570 N LEU A 97 0.679 9.720 -0.233 1.00 0.00 N ATOM 1571 CA LEU A 97 0.233 9.558 1.147 1.00 0.00 C ATOM 1572 C LEU A 97 -0.316 10.869 1.699 1.00 0.00 C ATOM 1573 O LEU A 97 -1.489 10.959 2.064 1.00 0.00 O ATOM 1574 CB LEU A 97 1.388 9.066 2.022 1.00 0.00 C ATOM 1575 CG LEU A 97 1.742 7.584 1.895 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.030 7.278 2.644 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.603 6.718 2.412 1.00 0.00 C ATOM 0 H LEU A 97 1.684 9.861 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.566 8.817 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.275 9.653 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.142 9.272 3.064 1.00 0.00 H new ATOM 0 HG LEU A 97 1.896 7.355 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.267 6.219 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.843 7.873 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.904 7.523 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.872 5.666 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.418 6.949 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.298 6.918 1.832 1.00 0.00 H new