USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 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 -82:sc= -2.29 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= 0.0944 USER MOD Single : A 30 GLN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 142:sc= 0.305 USER MOD Single : A 38 HIS : no HD1:sc= -2.04! K(o=-2!,f=-0.82) USER MOD Single : A 43 SER OG : rot -50:sc= -0.279 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 -119:sc= -1.81 (180deg=-4.19!) 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= 0.0134 USER MOD Single : A 58 ASN : amide:sc= -0.0141 K(o=-0.014,f=-2.1!) USER MOD Single : A 60 GLN : amide:sc= -0.0935 K(o=-0.094,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 1:sc= -1.18 USER MOD Single : A 69 LYS NZ :NH3+ -130:sc= -0.323 (180deg=-1.61!) USER MOD Single : A 79 CYS SG : rot 23:sc= -0.434 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -5.648 5.328 1.202 1.00 0.00 N ATOM 215 CA VAL A 19 -6.102 4.028 0.739 1.00 0.00 C ATOM 216 C VAL A 19 -5.194 3.550 -0.396 1.00 0.00 C ATOM 217 O VAL A 19 -4.736 4.351 -1.209 1.00 0.00 O ATOM 218 CB VAL A 19 -7.575 4.101 0.335 1.00 0.00 C ATOM 219 CG1 VAL A 19 -7.746 4.866 -0.980 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.188 2.703 0.239 1.00 0.00 C ATOM 0 HA VAL A 19 -6.035 3.293 1.541 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.108 4.648 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.803 4.903 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.365 5.881 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.192 4.360 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.236 2.784 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.650 2.120 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.116 2.207 1.207 1.00 0.00 H new ATOM 230 N LEU A 20 -4.959 2.246 -0.413 1.00 0.00 N ATOM 231 CA LEU A 20 -4.114 1.651 -1.434 1.00 0.00 C ATOM 232 C LEU A 20 -4.943 0.677 -2.273 1.00 0.00 C ATOM 233 O LEU A 20 -4.995 -0.516 -1.975 1.00 0.00 O ATOM 234 CB LEU A 20 -2.874 1.017 -0.801 1.00 0.00 C ATOM 235 CG LEU A 20 -1.892 1.983 -0.134 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.176 1.312 1.040 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.907 2.556 -1.156 1.00 0.00 C ATOM 0 H LEU A 20 -5.339 1.585 0.264 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.740 2.418 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.201 0.292 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.340 0.463 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.458 2.821 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.484 2.020 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.910 0.994 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.623 0.444 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.220 3.239 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.342 1.743 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.456 3.094 -1.928 1.00 0.00 H new ATOM 248 N ARG A 21 -5.571 1.220 -3.306 1.00 0.00 N ATOM 249 CA ARG A 21 -6.395 0.413 -4.189 1.00 0.00 C ATOM 250 C ARG A 21 -5.523 -0.300 -5.224 1.00 0.00 C ATOM 251 O ARG A 21 -4.362 0.059 -5.416 1.00 0.00 O ATOM 252 CB ARG A 21 -7.433 1.275 -4.913 1.00 0.00 C ATOM 253 CG ARG A 21 -8.585 1.646 -3.977 1.00 0.00 C ATOM 254 CD ARG A 21 -9.931 1.535 -4.695 1.00 0.00 C ATOM 255 NE ARG A 21 -11.033 1.838 -3.754 1.00 0.00 N ATOM 256 CZ ARG A 21 -12.321 1.555 -3.989 1.00 0.00 C ATOM 257 NH1 ARG A 21 -12.678 0.962 -5.136 1.00 0.00 N ATOM 258 NH2 ARG A 21 -13.253 1.867 -3.077 1.00 0.00 N ATOM 0 H ARG A 21 -5.525 2.209 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.914 -0.324 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.959 2.181 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.821 0.735 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.577 0.989 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.447 2.663 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.961 2.226 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.054 0.531 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.797 2.291 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.969 0.726 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.659 0.746 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.981 2.320 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.234 1.652 -3.256 1.00 0.00 H new ATOM 269 N SER A 22 -6.115 -1.297 -5.864 1.00 0.00 N ATOM 270 CA SER A 22 -5.407 -2.064 -6.875 1.00 0.00 C ATOM 271 C SER A 22 -5.478 -1.344 -8.223 1.00 0.00 C ATOM 272 O SER A 22 -6.565 -1.103 -8.745 1.00 0.00 O ATOM 273 CB SER A 22 -5.980 -3.477 -6.997 1.00 0.00 C ATOM 274 OG SER A 22 -5.305 -4.244 -7.990 1.00 0.00 O ATOM 0 H SER A 22 -7.078 -1.592 -5.702 1.00 0.00 H new ATOM 0 HA SER A 22 -4.364 -2.150 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.904 -3.983 -6.035 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.040 -3.418 -7.243 1.00 0.00 H new ATOM 0 HG SER A 22 -5.662 -4.021 -8.875 1.00 0.00 H new ATOM 279 N PRO A 23 -4.274 -1.013 -8.762 1.00 0.00 N ATOM 280 CA PRO A 23 -4.190 -0.326 -10.039 1.00 0.00 C ATOM 281 C PRO A 23 -4.484 -1.281 -11.197 1.00 0.00 C ATOM 282 O PRO A 23 -4.787 -0.845 -12.306 1.00 0.00 O ATOM 283 CB PRO A 23 -2.783 0.248 -10.085 1.00 0.00 C ATOM 284 CG PRO A 23 -1.983 -0.527 -9.050 1.00 0.00 C ATOM 285 CD PRO A 23 -2.966 -1.283 -8.171 1.00 0.00 C ATOM 0 HA PRO A 23 -4.933 0.465 -10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.348 0.137 -11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.788 1.314 -9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.297 -1.219 -9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.377 0.152 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.749 -2.351 -8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.919 -0.939 -7.138 1.00 0.00 H new ATOM 290 N SER A 24 -4.384 -2.569 -10.899 1.00 0.00 N ATOM 291 CA SER A 24 -4.635 -3.591 -11.901 1.00 0.00 C ATOM 292 C SER A 24 -4.964 -4.921 -11.221 1.00 0.00 C ATOM 293 O SER A 24 -4.492 -5.193 -10.119 1.00 0.00 O ATOM 294 CB SER A 24 -3.433 -3.755 -12.835 1.00 0.00 C ATOM 295 OG SER A 24 -3.828 -3.866 -14.198 1.00 0.00 O ATOM 0 H SER A 24 -4.133 -2.928 -9.978 1.00 0.00 H new ATOM 0 HA SER A 24 -5.488 -3.277 -12.503 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.765 -2.901 -12.720 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.869 -4.642 -12.548 1.00 0.00 H new ATOM 0 HG SER A 24 -3.033 -3.967 -14.762 1.00 0.00 H new ATOM 300 N ALA A 25 -5.774 -5.716 -11.907 1.00 0.00 N ATOM 301 CA ALA A 25 -6.171 -7.011 -11.383 1.00 0.00 C ATOM 302 C ALA A 25 -4.922 -7.843 -11.088 1.00 0.00 C ATOM 303 O ALA A 25 -3.809 -7.436 -11.418 1.00 0.00 O ATOM 304 CB ALA A 25 -7.108 -7.699 -12.379 1.00 0.00 C ATOM 0 H ALA A 25 -6.165 -5.487 -12.821 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.717 -6.895 -10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.406 -8.671 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.994 -7.082 -12.531 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.592 -7.835 -13.330 1.00 0.00 H new ATOM 310 N GLY A 26 -5.148 -8.991 -10.468 1.00 0.00 N ATOM 311 CA GLY A 26 -4.054 -9.885 -10.124 1.00 0.00 C ATOM 312 C GLY A 26 -4.500 -10.927 -9.097 1.00 0.00 C ATOM 313 O GLY A 26 -5.567 -11.523 -9.234 1.00 0.00 O ATOM 0 H GLY A 26 -6.073 -9.324 -10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.693 -10.386 -11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.220 -9.308 -9.724 1.00 0.00 H new ATOM 317 N LYS A 27 -3.660 -11.116 -8.090 1.00 0.00 N ATOM 318 CA LYS A 27 -3.954 -12.076 -7.040 1.00 0.00 C ATOM 319 C LYS A 27 -3.029 -11.820 -5.848 1.00 0.00 C ATOM 320 O LYS A 27 -1.830 -12.084 -5.919 1.00 0.00 O ATOM 321 CB LYS A 27 -3.875 -13.505 -7.583 1.00 0.00 C ATOM 322 CG LYS A 27 -5.238 -14.197 -7.503 1.00 0.00 C ATOM 323 CD LYS A 27 -5.365 -15.281 -8.574 1.00 0.00 C ATOM 324 CE LYS A 27 -6.696 -15.164 -9.320 1.00 0.00 C ATOM 325 NZ LYS A 27 -6.469 -14.763 -10.726 1.00 0.00 N ATOM 0 H LYS A 27 -2.775 -10.620 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.977 -11.950 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.532 -13.487 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.140 -14.074 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.368 -14.639 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.032 -13.461 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.540 -15.197 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.289 -16.265 -8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.222 -16.118 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.334 -14.431 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.382 -14.688 -11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.986 -13.842 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.878 -15.476 -11.199 1.00 0.00 H new ATOM 335 N LEU A 28 -3.623 -11.310 -4.779 1.00 0.00 N ATOM 336 CA LEU A 28 -2.868 -11.016 -3.573 1.00 0.00 C ATOM 337 C LEU A 28 -2.140 -12.279 -3.111 1.00 0.00 C ATOM 338 O LEU A 28 -2.707 -13.370 -3.133 1.00 0.00 O ATOM 339 CB LEU A 28 -3.780 -10.406 -2.505 1.00 0.00 C ATOM 340 CG LEU A 28 -3.077 -9.650 -1.376 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.071 -8.641 -1.934 1.00 0.00 C ATOM 342 CD2 LEU A 28 -4.095 -8.988 -0.444 1.00 0.00 C ATOM 0 H LEU A 28 -4.618 -11.093 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.105 -10.264 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.475 -9.724 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.376 -11.205 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.514 -10.370 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.586 -8.118 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.319 -9.165 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.591 -7.921 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.570 -8.457 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.703 -8.283 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.738 -9.752 -0.006 1.00 0.00 H new ATOM 353 N THR A 29 -0.893 -12.090 -2.705 1.00 0.00 N ATOM 354 CA THR A 29 -0.081 -13.201 -2.239 1.00 0.00 C ATOM 355 C THR A 29 0.318 -12.994 -0.776 1.00 0.00 C ATOM 356 O THR A 29 -0.114 -13.741 0.100 1.00 0.00 O ATOM 357 CB THR A 29 1.118 -13.339 -3.181 1.00 0.00 C ATOM 358 OG1 THR A 29 1.611 -12.009 -3.313 1.00 0.00 O ATOM 359 CG2 THR A 29 0.703 -13.725 -4.603 1.00 0.00 C ATOM 0 H THR A 29 -0.425 -11.184 -2.689 1.00 0.00 H new ATOM 0 HA THR A 29 -0.641 -14.136 -2.262 1.00 0.00 H new ATOM 0 HB THR A 29 1.805 -14.088 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.391 -12.007 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.590 -13.810 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.180 -14.681 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.043 -12.959 -5.010 1.00 0.00 H new ATOM 367 N GLN A 30 1.137 -11.975 -0.558 1.00 0.00 N ATOM 368 CA GLN A 30 1.598 -11.661 0.784 1.00 0.00 C ATOM 369 C GLN A 30 2.136 -10.230 0.838 1.00 0.00 C ATOM 370 O GLN A 30 2.081 -9.505 -0.154 1.00 0.00 O ATOM 371 CB GLN A 30 2.657 -12.663 1.249 1.00 0.00 C ATOM 372 CG GLN A 30 3.887 -12.621 0.339 1.00 0.00 C ATOM 373 CD GLN A 30 5.132 -13.115 1.080 1.00 0.00 C ATOM 374 OE1 GLN A 30 5.135 -14.155 1.717 1.00 0.00 O ATOM 375 NE2 GLN A 30 6.186 -12.313 0.960 1.00 0.00 N ATOM 0 H GLN A 30 1.493 -11.357 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 30 0.751 -11.736 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.951 -12.438 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.236 -13.668 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.714 -13.239 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.049 -11.602 -0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.115 -11.456 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.065 -12.555 1.417 1.00 0.00 H new ATOM 382 N TYR A 31 2.644 -9.866 2.006 1.00 0.00 N ATOM 383 CA TYR A 31 3.192 -8.535 2.203 1.00 0.00 C ATOM 384 C TYR A 31 4.698 -8.595 2.467 1.00 0.00 C ATOM 385 O TYR A 31 5.242 -9.665 2.736 1.00 0.00 O ATOM 386 CB TYR A 31 2.491 -7.969 3.439 1.00 0.00 C ATOM 387 CG TYR A 31 2.321 -8.979 4.576 1.00 0.00 C ATOM 388 CD1 TYR A 31 3.398 -9.304 5.376 1.00 0.00 C ATOM 389 CD2 TYR A 31 1.092 -9.565 4.801 1.00 0.00 C ATOM 390 CE1 TYR A 31 3.238 -10.256 6.445 1.00 0.00 C ATOM 391 CE2 TYR A 31 0.932 -10.516 5.870 1.00 0.00 C ATOM 392 CZ TYR A 31 2.013 -10.814 6.640 1.00 0.00 C ATOM 393 OH TYR A 31 1.863 -11.712 7.650 1.00 0.00 O ATOM 0 H TYR A 31 2.688 -10.470 2.826 1.00 0.00 H new ATOM 0 HA TYR A 31 3.036 -7.921 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.060 -7.115 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.509 -7.596 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.360 -8.845 5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.250 -9.310 4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.072 -10.521 7.078 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.024 -10.982 6.056 1.00 0.00 H new ATOM 0 HH TYR A 31 0.935 -12.027 7.672 1.00 0.00 H new ATOM 402 N THR A 32 5.328 -7.432 2.381 1.00 0.00 N ATOM 403 CA THR A 32 6.760 -7.339 2.608 1.00 0.00 C ATOM 404 C THR A 32 7.048 -6.520 3.868 1.00 0.00 C ATOM 405 O THR A 32 8.203 -6.227 4.171 1.00 0.00 O ATOM 406 CB THR A 32 7.401 -6.759 1.347 1.00 0.00 C ATOM 407 OG1 THR A 32 6.868 -5.441 1.260 1.00 0.00 O ATOM 408 CG2 THR A 32 6.908 -7.445 0.071 1.00 0.00 C ATOM 0 H THR A 32 4.873 -6.547 2.157 1.00 0.00 H new ATOM 0 HA THR A 32 7.197 -8.321 2.790 1.00 0.00 H new ATOM 0 HB THR A 32 8.485 -6.854 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.566 -4.826 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.394 -6.995 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.150 -8.507 0.112 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.828 -7.322 -0.014 1.00 0.00 H new ATOM 416 N VAL A 33 5.978 -6.174 4.568 1.00 0.00 N ATOM 417 CA VAL A 33 6.101 -5.394 5.788 1.00 0.00 C ATOM 418 C VAL A 33 5.161 -5.966 6.851 1.00 0.00 C ATOM 419 O VAL A 33 4.147 -6.580 6.522 1.00 0.00 O ATOM 420 CB VAL A 33 5.841 -3.916 5.492 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.399 -3.523 4.123 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.348 -3.592 5.590 1.00 0.00 C ATOM 0 H VAL A 33 5.021 -6.420 4.314 1.00 0.00 H new ATOM 0 HA VAL A 33 7.115 -5.459 6.183 1.00 0.00 H new ATOM 0 HB VAL A 33 6.362 -3.327 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.200 -2.467 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.475 -3.698 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.920 -4.123 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.190 -2.535 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.797 -4.195 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.993 -3.815 6.596 1.00 0.00 H new ATOM 432 N GLU A 34 5.532 -5.745 8.103 1.00 0.00 N ATOM 433 CA GLU A 34 4.735 -6.231 9.217 1.00 0.00 C ATOM 434 C GLU A 34 3.520 -5.326 9.434 1.00 0.00 C ATOM 435 O GLU A 34 3.349 -4.331 8.732 1.00 0.00 O ATOM 436 CB GLU A 34 5.576 -6.334 10.490 1.00 0.00 C ATOM 437 CG GLU A 34 5.944 -4.946 11.018 1.00 0.00 C ATOM 438 CD GLU A 34 7.448 -4.842 11.284 1.00 0.00 C ATOM 439 OE1 GLU A 34 8.199 -4.797 10.286 1.00 0.00 O ATOM 440 OE2 GLU A 34 7.812 -4.809 12.479 1.00 0.00 O ATOM 0 H GLU A 34 6.374 -5.236 8.371 1.00 0.00 H new ATOM 0 HA GLU A 34 4.380 -7.233 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.022 -6.882 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.484 -6.902 10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.645 -4.187 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.394 -4.745 11.937 1.00 0.00 H new ATOM 445 N ASP A 35 2.707 -5.705 10.410 1.00 0.00 N ATOM 446 CA ASP A 35 1.513 -4.940 10.729 1.00 0.00 C ATOM 447 C ASP A 35 1.876 -3.457 10.836 1.00 0.00 C ATOM 448 O ASP A 35 2.911 -3.107 11.400 1.00 0.00 O ATOM 449 CB ASP A 35 0.919 -5.379 12.069 1.00 0.00 C ATOM 450 CG ASP A 35 -0.324 -4.605 12.509 1.00 0.00 C ATOM 451 OD1 ASP A 35 -0.186 -3.381 12.720 1.00 0.00 O ATOM 452 OD2 ASP A 35 -1.386 -5.256 12.626 1.00 0.00 O ATOM 0 H ASP A 35 2.852 -6.531 10.990 1.00 0.00 H new ATOM 0 HA ASP A 35 0.783 -5.110 9.938 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.667 -6.438 12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.684 -5.277 12.839 1.00 0.00 H new ATOM 456 N GLY A 36 1.003 -2.627 10.284 1.00 0.00 N ATOM 457 CA GLY A 36 1.219 -1.190 10.310 1.00 0.00 C ATOM 458 C GLY A 36 2.683 -0.849 10.026 1.00 0.00 C ATOM 459 O GLY A 36 3.234 0.080 10.615 1.00 0.00 O ATOM 0 H GLY A 36 0.146 -2.922 9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.580 -0.709 9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.932 -0.793 11.284 1.00 0.00 H new ATOM 463 N GLY A 37 3.272 -1.621 9.124 1.00 0.00 N ATOM 464 CA GLY A 37 4.662 -1.413 8.756 1.00 0.00 C ATOM 465 C GLY A 37 4.853 -0.050 8.086 1.00 0.00 C ATOM 466 O GLY A 37 4.059 0.345 7.235 1.00 0.00 O ATOM 0 H GLY A 37 2.812 -2.391 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.291 -1.477 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.985 -2.204 8.079 1.00 0.00 H new ATOM 470 N HIS A 38 5.914 0.631 8.496 1.00 0.00 N ATOM 471 CA HIS A 38 6.220 1.941 7.948 1.00 0.00 C ATOM 472 C HIS A 38 7.258 1.800 6.833 1.00 0.00 C ATOM 473 O HIS A 38 8.235 1.067 6.978 1.00 0.00 O ATOM 474 CB HIS A 38 6.663 2.903 9.052 1.00 0.00 C ATOM 475 CG HIS A 38 7.409 4.115 8.549 1.00 0.00 C ATOM 476 ND1 HIS A 38 6.972 5.409 8.771 1.00 0.00 N ATOM 477 CD2 HIS A 38 8.565 4.216 7.833 1.00 0.00 C ATOM 478 CE1 HIS A 38 7.834 6.244 8.209 1.00 0.00 C ATOM 479 NE2 HIS A 38 8.821 5.503 7.628 1.00 0.00 N ATOM 0 H HIS A 38 6.572 0.299 9.201 1.00 0.00 H new ATOM 0 HA HIS A 38 5.321 2.374 7.509 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.784 3.234 9.605 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.298 2.365 9.755 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.170 3.389 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.767 7.322 8.211 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.623 5.876 7.120 1.00 0.00 H new ATOM 486 N VAL A 39 7.011 2.515 5.745 1.00 0.00 N ATOM 487 CA VAL A 39 7.912 2.479 4.606 1.00 0.00 C ATOM 488 C VAL A 39 8.013 3.880 3.997 1.00 0.00 C ATOM 489 O VAL A 39 7.427 4.829 4.513 1.00 0.00 O ATOM 490 CB VAL A 39 7.445 1.423 3.602 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.665 0.012 4.150 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.980 1.640 3.219 1.00 0.00 C ATOM 0 H VAL A 39 6.200 3.122 5.628 1.00 0.00 H new ATOM 0 HA VAL A 39 8.914 2.188 4.921 1.00 0.00 H new ATOM 0 HB VAL A 39 8.046 1.530 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.325 -0.720 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.726 -0.140 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.101 -0.111 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.674 0.876 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.357 1.573 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.864 2.626 2.768 1.00 0.00 H new ATOM 502 N GLU A 40 8.759 3.962 2.905 1.00 0.00 N ATOM 503 CA GLU A 40 8.944 5.231 2.220 1.00 0.00 C ATOM 504 C GLU A 40 8.078 5.284 0.959 1.00 0.00 C ATOM 505 O GLU A 40 7.709 4.247 0.411 1.00 0.00 O ATOM 506 CB GLU A 40 10.418 5.462 1.883 1.00 0.00 C ATOM 507 CG GLU A 40 11.212 5.853 3.131 1.00 0.00 C ATOM 508 CD GLU A 40 12.429 6.704 2.764 1.00 0.00 C ATOM 509 OE1 GLU A 40 13.414 6.106 2.281 1.00 0.00 O ATOM 510 OE2 GLU A 40 12.346 7.934 2.974 1.00 0.00 O ATOM 0 H GLU A 40 9.242 3.172 2.478 1.00 0.00 H new ATOM 0 HA GLU A 40 8.628 6.032 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.841 4.557 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.504 6.247 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.570 6.407 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.537 4.955 3.655 1.00 0.00 H new ATOM 515 N ALA A 41 7.780 6.503 0.536 1.00 0.00 N ATOM 516 CA ALA A 41 6.966 6.705 -0.650 1.00 0.00 C ATOM 517 C ALA A 41 7.700 6.145 -1.870 1.00 0.00 C ATOM 518 O ALA A 41 8.568 6.808 -2.435 1.00 0.00 O ATOM 519 CB ALA A 41 6.639 8.193 -0.798 1.00 0.00 C ATOM 0 H ALA A 41 8.088 7.361 0.993 1.00 0.00 H new ATOM 0 HA ALA A 41 6.020 6.171 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.028 8.345 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.091 8.534 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.564 8.761 -0.892 1.00 0.00 H new ATOM 525 N GLY A 42 7.323 4.929 -2.240 1.00 0.00 N ATOM 526 CA GLY A 42 7.935 4.273 -3.383 1.00 0.00 C ATOM 527 C GLY A 42 8.331 2.835 -3.040 1.00 0.00 C ATOM 528 O GLY A 42 8.394 1.978 -3.921 1.00 0.00 O ATOM 0 H GLY A 42 6.602 4.382 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.240 4.273 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.816 4.831 -3.699 1.00 0.00 H new ATOM 532 N SER A 43 8.588 2.614 -1.760 1.00 0.00 N ATOM 533 CA SER A 43 8.976 1.295 -1.290 1.00 0.00 C ATOM 534 C SER A 43 7.830 0.304 -1.505 1.00 0.00 C ATOM 535 O SER A 43 6.678 0.708 -1.666 1.00 0.00 O ATOM 536 CB SER A 43 9.377 1.330 0.186 1.00 0.00 C ATOM 537 OG SER A 43 9.734 2.644 0.610 1.00 0.00 O ATOM 0 H SER A 43 8.535 3.327 -1.032 1.00 0.00 H new ATOM 0 HA SER A 43 9.843 0.970 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.551 0.964 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.217 0.655 0.350 1.00 0.00 H new ATOM 0 HG SER A 43 10.382 3.026 -0.018 1.00 0.00 H new ATOM 542 N SER A 44 8.184 -0.972 -1.501 1.00 0.00 N ATOM 543 CA SER A 44 7.199 -2.022 -1.694 1.00 0.00 C ATOM 544 C SER A 44 6.678 -2.505 -0.339 1.00 0.00 C ATOM 545 O SER A 44 7.460 -2.764 0.576 1.00 0.00 O ATOM 546 CB SER A 44 7.790 -3.193 -2.483 1.00 0.00 C ATOM 547 OG SER A 44 9.004 -3.666 -1.907 1.00 0.00 O ATOM 0 H SER A 44 9.140 -1.303 -1.367 1.00 0.00 H new ATOM 0 HA SER A 44 6.370 -1.612 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.066 -4.007 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.974 -2.881 -3.511 1.00 0.00 H new ATOM 0 HG SER A 44 9.348 -4.414 -2.438 1.00 0.00 H new ATOM 552 N TYR A 45 5.359 -2.613 -0.252 1.00 0.00 N ATOM 553 CA TYR A 45 4.725 -3.060 0.976 1.00 0.00 C ATOM 554 C TYR A 45 4.014 -4.399 0.770 1.00 0.00 C ATOM 555 O TYR A 45 3.692 -5.090 1.735 1.00 0.00 O ATOM 556 CB TYR A 45 3.686 -1.993 1.326 1.00 0.00 C ATOM 557 CG TYR A 45 2.349 -2.166 0.603 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.516 -3.215 0.934 1.00 0.00 C ATOM 559 CD2 TYR A 45 1.975 -1.272 -0.380 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.257 -3.378 0.253 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.717 -1.434 -1.061 1.00 0.00 C ATOM 562 CZ TYR A 45 -0.080 -2.479 -0.711 1.00 0.00 C ATOM 563 OH TYR A 45 -1.269 -2.633 -1.354 1.00 0.00 O ATOM 0 H TYR A 45 4.713 -2.399 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 45 5.466 -3.196 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.511 -2.010 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.093 -1.011 1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.808 -3.914 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.627 -0.450 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.404 -4.195 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.413 -0.742 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.378 -1.918 -2.016 1.00 0.00 H new ATOM 572 N ALA A 46 3.790 -4.725 -0.495 1.00 0.00 N ATOM 573 CA ALA A 46 3.124 -5.969 -0.841 1.00 0.00 C ATOM 574 C ALA A 46 3.365 -6.279 -2.319 1.00 0.00 C ATOM 575 O ALA A 46 4.014 -5.504 -3.021 1.00 0.00 O ATOM 576 CB ALA A 46 1.635 -5.860 -0.504 1.00 0.00 C ATOM 0 H ALA A 46 4.058 -4.149 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 46 3.532 -6.797 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.134 -6.793 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.516 -5.669 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.193 -5.041 -1.071 1.00 0.00 H new ATOM 582 N GLU A 47 2.832 -7.413 -2.749 1.00 0.00 N ATOM 583 CA GLU A 47 2.981 -7.834 -4.131 1.00 0.00 C ATOM 584 C GLU A 47 1.668 -8.424 -4.651 1.00 0.00 C ATOM 585 O GLU A 47 0.675 -8.470 -3.927 1.00 0.00 O ATOM 586 CB GLU A 47 4.128 -8.835 -4.278 1.00 0.00 C ATOM 587 CG GLU A 47 5.473 -8.181 -3.953 1.00 0.00 C ATOM 588 CD GLU A 47 6.577 -8.710 -4.871 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.289 -8.856 -6.078 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.683 -8.956 -4.344 1.00 0.00 O ATOM 0 H GLU A 47 2.296 -8.054 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 47 3.227 -6.959 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.962 -9.683 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.146 -9.226 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.391 -7.100 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.735 -8.377 -2.913 1.00 0.00 H new ATOM 595 N MET A 48 1.708 -8.860 -5.901 1.00 0.00 N ATOM 596 CA MET A 48 0.534 -9.444 -6.527 1.00 0.00 C ATOM 597 C MET A 48 0.914 -10.220 -7.789 1.00 0.00 C ATOM 598 O MET A 48 2.025 -10.078 -8.299 1.00 0.00 O ATOM 599 CB MET A 48 -0.458 -8.337 -6.888 1.00 0.00 C ATOM 600 CG MET A 48 0.177 -7.322 -7.840 1.00 0.00 C ATOM 601 SD MET A 48 -0.706 -7.307 -9.392 1.00 0.00 S ATOM 602 CE MET A 48 -2.258 -6.604 -8.860 1.00 0.00 C ATOM 0 H MET A 48 2.535 -8.821 -6.497 1.00 0.00 H new ATOM 0 HA MET A 48 0.077 -10.137 -5.821 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.342 -8.773 -7.353 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.791 -7.832 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.158 -6.329 -7.391 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.224 -7.575 -8.010 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.063 -7.315 -9.046 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.210 -6.381 -7.794 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.450 -5.685 -9.414 1.00 0.00 H new ATOM 610 N GLU A 49 -0.029 -11.024 -8.258 1.00 0.00 N ATOM 611 CA GLU A 49 0.194 -11.823 -9.452 1.00 0.00 C ATOM 612 C GLU A 49 -0.882 -11.523 -10.499 1.00 0.00 C ATOM 613 O GLU A 49 -2.064 -11.768 -10.267 1.00 0.00 O ATOM 614 CB GLU A 49 0.231 -13.315 -9.115 1.00 0.00 C ATOM 615 CG GLU A 49 0.410 -14.158 -10.379 1.00 0.00 C ATOM 616 CD GLU A 49 1.025 -15.519 -10.047 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.509 -16.160 -9.105 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.996 -15.887 -10.741 1.00 0.00 O ATOM 0 H GLU A 49 -0.949 -11.140 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 49 1.165 -11.555 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.048 -13.515 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.692 -13.601 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.555 -14.300 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.049 -13.629 -11.086 1.00 0.00 H new ATOM 623 N VAL A 50 -0.432 -10.998 -11.629 1.00 0.00 N ATOM 624 CA VAL A 50 -1.341 -10.663 -12.712 1.00 0.00 C ATOM 625 C VAL A 50 -0.736 -11.121 -14.041 1.00 0.00 C ATOM 626 O VAL A 50 0.479 -11.057 -14.227 1.00 0.00 O ATOM 627 CB VAL A 50 -1.658 -9.166 -12.685 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.380 -8.337 -12.546 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.450 -8.751 -13.926 1.00 0.00 C ATOM 0 H VAL A 50 0.550 -10.796 -11.818 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.290 -11.186 -12.589 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.279 -8.971 -11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.634 -7.277 -12.529 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.127 -8.603 -11.619 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.279 -8.539 -13.391 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.662 -7.683 -13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.866 -8.968 -14.820 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.387 -9.306 -13.962 1.00 0.00 H new ATOM 639 N MET A 51 -1.609 -11.572 -14.928 1.00 0.00 N ATOM 640 CA MET A 51 -1.176 -12.040 -16.234 1.00 0.00 C ATOM 641 C MET A 51 -0.028 -13.042 -16.103 1.00 0.00 C ATOM 642 O MET A 51 0.893 -13.047 -16.918 1.00 0.00 O ATOM 643 CB MET A 51 -0.721 -10.849 -17.079 1.00 0.00 C ATOM 644 CG MET A 51 -1.903 -10.210 -17.808 1.00 0.00 C ATOM 645 SD MET A 51 -1.851 -10.631 -19.542 1.00 0.00 S ATOM 646 CE MET A 51 -1.556 -9.017 -20.245 1.00 0.00 C ATOM 0 H MET A 51 -2.615 -11.624 -14.769 1.00 0.00 H new ATOM 0 HA MET A 51 -2.016 -12.539 -16.718 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.240 -10.108 -16.440 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.024 -11.177 -17.804 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.840 -10.554 -17.370 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.873 -9.127 -17.687 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.496 -9.098 -21.330 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.374 -8.348 -19.976 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.618 -8.618 -19.858 1.00 0.00 H new ATOM 654 N LYS A 52 -0.120 -13.868 -15.070 1.00 0.00 N ATOM 655 CA LYS A 52 0.900 -14.873 -14.822 1.00 0.00 C ATOM 656 C LYS A 52 2.231 -14.180 -14.524 1.00 0.00 C ATOM 657 O LYS A 52 3.296 -14.739 -14.778 1.00 0.00 O ATOM 658 CB LYS A 52 0.970 -15.864 -15.986 1.00 0.00 C ATOM 659 CG LYS A 52 -0.095 -16.955 -15.842 1.00 0.00 C ATOM 660 CD LYS A 52 0.249 -18.173 -16.702 1.00 0.00 C ATOM 661 CE LYS A 52 -0.234 -19.464 -16.040 1.00 0.00 C ATOM 662 NZ LYS A 52 0.423 -20.639 -16.656 1.00 0.00 N ATOM 0 H LYS A 52 -0.885 -13.861 -14.396 1.00 0.00 H new ATOM 0 HA LYS A 52 0.645 -15.466 -13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.828 -15.335 -16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.960 -16.319 -16.022 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.175 -17.254 -14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.067 -16.560 -16.136 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.210 -18.070 -17.685 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.327 -18.221 -16.857 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.016 -19.436 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.316 -19.550 -16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.084 -21.508 -16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.194 -20.673 -17.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.453 -20.563 -16.536 1.00 0.00 H new ATOM 672 N MET A 53 2.126 -12.973 -13.990 1.00 0.00 N ATOM 673 CA MET A 53 3.309 -12.197 -13.654 1.00 0.00 C ATOM 674 C MET A 53 3.196 -11.607 -12.248 1.00 0.00 C ATOM 675 O MET A 53 2.133 -11.131 -11.852 1.00 0.00 O ATOM 676 CB MET A 53 3.482 -11.066 -14.670 1.00 0.00 C ATOM 677 CG MET A 53 3.491 -11.609 -16.100 1.00 0.00 C ATOM 678 SD MET A 53 4.594 -10.639 -17.114 1.00 0.00 S ATOM 679 CE MET A 53 4.081 -11.180 -18.736 1.00 0.00 C ATOM 0 H MET A 53 1.240 -12.512 -13.781 1.00 0.00 H new ATOM 0 HA MET A 53 4.175 -12.858 -13.681 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.673 -10.344 -14.557 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.413 -10.535 -14.473 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.807 -12.652 -16.100 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.483 -11.581 -16.515 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.673 -10.668 -19.494 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.230 -12.256 -18.825 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.026 -10.946 -18.881 1.00 0.00 H new ATOM 687 N ILE A 54 4.309 -11.658 -11.529 1.00 0.00 N ATOM 688 CA ILE A 54 4.349 -11.135 -10.174 1.00 0.00 C ATOM 689 C ILE A 54 4.819 -9.680 -10.208 1.00 0.00 C ATOM 690 O ILE A 54 5.932 -9.393 -10.646 1.00 0.00 O ATOM 691 CB ILE A 54 5.200 -12.036 -9.277 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.810 -13.506 -9.447 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.121 -11.588 -7.816 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.364 -13.744 -9.006 1.00 0.00 C ATOM 0 H ILE A 54 5.189 -12.053 -11.860 1.00 0.00 H new ATOM 0 HA ILE A 54 3.352 -11.138 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 54 6.241 -11.941 -9.587 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.929 -13.799 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.481 -14.134 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.735 -12.245 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.485 -10.564 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.086 -11.635 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.112 -14.796 -9.137 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.254 -13.473 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.694 -13.133 -9.610 1.00 0.00 H new ATOM 705 N MET A 55 3.947 -8.799 -9.738 1.00 0.00 N ATOM 706 CA MET A 55 4.260 -7.380 -9.710 1.00 0.00 C ATOM 707 C MET A 55 4.319 -6.862 -8.271 1.00 0.00 C ATOM 708 O MET A 55 3.514 -7.258 -7.430 1.00 0.00 O ATOM 709 CB MET A 55 3.193 -6.606 -10.487 1.00 0.00 C ATOM 710 CG MET A 55 3.480 -5.103 -10.464 1.00 0.00 C ATOM 711 SD MET A 55 2.316 -4.244 -11.509 1.00 0.00 S ATOM 712 CE MET A 55 3.342 -3.948 -12.939 1.00 0.00 C ATOM 0 H MET A 55 3.025 -9.040 -9.374 1.00 0.00 H new ATOM 0 HA MET A 55 5.236 -7.232 -10.171 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.162 -6.958 -11.518 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.211 -6.799 -10.054 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.412 -4.727 -9.443 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.497 -4.913 -10.806 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.766 -3.416 -13.696 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.204 -3.347 -12.650 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.683 -4.900 -13.346 1.00 0.00 H new ATOM 720 N THR A 56 5.282 -5.982 -8.032 1.00 0.00 N ATOM 721 CA THR A 56 5.458 -5.405 -6.711 1.00 0.00 C ATOM 722 C THR A 56 4.460 -4.266 -6.489 1.00 0.00 C ATOM 723 O THR A 56 4.048 -3.603 -7.440 1.00 0.00 O ATOM 724 CB THR A 56 6.918 -4.968 -6.575 1.00 0.00 C ATOM 725 OG1 THR A 56 7.635 -5.906 -7.374 1.00 0.00 O ATOM 726 CG2 THR A 56 7.465 -5.185 -5.163 1.00 0.00 C ATOM 0 H THR A 56 5.948 -5.655 -8.732 1.00 0.00 H new ATOM 0 HA THR A 56 5.249 -6.136 -5.930 1.00 0.00 H new ATOM 0 HB THR A 56 7.009 -3.915 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.592 -5.697 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.504 -4.859 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.874 -4.608 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.407 -6.243 -4.909 1.00 0.00 H new ATOM 734 N LEU A 57 4.099 -4.075 -5.228 1.00 0.00 N ATOM 735 CA LEU A 57 3.158 -3.028 -4.870 1.00 0.00 C ATOM 736 C LEU A 57 3.856 -2.007 -3.968 1.00 0.00 C ATOM 737 O LEU A 57 4.324 -2.350 -2.884 1.00 0.00 O ATOM 738 CB LEU A 57 1.895 -3.632 -4.253 1.00 0.00 C ATOM 739 CG LEU A 57 0.726 -3.865 -5.213 1.00 0.00 C ATOM 740 CD1 LEU A 57 -0.190 -4.978 -4.700 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.039 -2.566 -5.471 1.00 0.00 C ATOM 0 H LEU A 57 4.441 -4.628 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 57 2.826 -2.493 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.158 -4.585 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.556 -2.976 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 57 1.130 -4.195 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.013 -5.124 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.378 -5.904 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.589 -4.700 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.864 -2.760 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.432 -2.182 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.633 -1.829 -5.911 1.00 0.00 H new ATOM 752 N ASN A 58 3.903 -0.774 -4.450 1.00 0.00 N ATOM 753 CA ASN A 58 4.536 0.299 -3.701 1.00 0.00 C ATOM 754 C ASN A 58 3.460 1.251 -3.176 1.00 0.00 C ATOM 755 O ASN A 58 2.326 1.236 -3.653 1.00 0.00 O ATOM 756 CB ASN A 58 5.488 1.103 -4.588 1.00 0.00 C ATOM 757 CG ASN A 58 4.908 1.283 -5.993 1.00 0.00 C ATOM 758 OD1 ASN A 58 4.776 0.347 -6.763 1.00 0.00 O ATOM 759 ND2 ASN A 58 4.568 2.536 -6.281 1.00 0.00 N ATOM 0 H ASN A 58 3.513 -0.494 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 58 5.099 -0.148 -2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.672 2.079 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.450 0.594 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.170 2.760 -7.193 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.705 3.273 -5.590 1.00 0.00 H new ATOM 765 N VAL A 59 3.855 2.057 -2.201 1.00 0.00 N ATOM 766 CA VAL A 59 2.938 3.015 -1.606 1.00 0.00 C ATOM 767 C VAL A 59 3.009 4.333 -2.381 1.00 0.00 C ATOM 768 O VAL A 59 4.091 4.769 -2.772 1.00 0.00 O ATOM 769 CB VAL A 59 3.248 3.180 -0.117 1.00 0.00 C ATOM 770 CG1 VAL A 59 3.005 1.874 0.643 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.680 3.678 0.093 1.00 0.00 C ATOM 0 H VAL A 59 4.796 2.066 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 59 1.912 2.654 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 59 2.569 3.932 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.233 2.020 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.961 1.579 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.647 1.092 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.875 3.787 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.381 2.960 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.806 4.643 -0.399 1.00 0.00 H new ATOM 781 N GLN A 60 1.843 4.928 -2.580 1.00 0.00 N ATOM 782 CA GLN A 60 1.759 6.186 -3.302 1.00 0.00 C ATOM 783 C GLN A 60 2.326 7.325 -2.451 1.00 0.00 C ATOM 784 O GLN A 60 2.792 8.331 -2.984 1.00 0.00 O ATOM 785 CB GLN A 60 0.319 6.483 -3.724 1.00 0.00 C ATOM 786 CG GLN A 60 0.000 5.839 -5.075 1.00 0.00 C ATOM 787 CD GLN A 60 0.507 6.707 -6.229 1.00 0.00 C ATOM 788 OE1 GLN A 60 0.474 7.925 -6.184 1.00 0.00 O ATOM 789 NE2 GLN A 60 0.977 6.013 -7.261 1.00 0.00 N ATOM 0 H GLN A 60 0.948 4.563 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 60 2.358 6.101 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.370 6.109 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.169 7.561 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.459 4.852 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.076 5.696 -5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.975 4.993 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.339 6.500 -8.081 1.00 0.00 H new ATOM 796 N GLU A 61 2.267 7.129 -1.142 1.00 0.00 N ATOM 797 CA GLU A 61 2.769 8.127 -0.212 1.00 0.00 C ATOM 798 C GLU A 61 3.195 7.463 1.099 1.00 0.00 C ATOM 799 O GLU A 61 2.410 6.752 1.724 1.00 0.00 O ATOM 800 CB GLU A 61 1.725 9.216 0.039 1.00 0.00 C ATOM 801 CG GLU A 61 1.077 9.668 -1.272 1.00 0.00 C ATOM 802 CD GLU A 61 0.054 10.778 -1.024 1.00 0.00 C ATOM 803 OE1 GLU A 61 0.448 11.780 -0.389 1.00 0.00 O ATOM 804 OE2 GLU A 61 -1.097 10.601 -1.476 1.00 0.00 O ATOM 0 H GLU A 61 1.879 6.294 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 61 3.643 8.603 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.959 8.841 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.195 10.069 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.846 10.024 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.589 8.820 -1.752 1.00 0.00 H new ATOM 809 N ARG A 62 4.439 7.719 1.477 1.00 0.00 N ATOM 810 CA ARG A 62 4.979 7.156 2.703 1.00 0.00 C ATOM 811 C ARG A 62 3.896 7.091 3.780 1.00 0.00 C ATOM 812 O ARG A 62 2.952 7.879 3.764 1.00 0.00 O ATOM 813 CB ARG A 62 6.155 7.987 3.219 1.00 0.00 C ATOM 814 CG ARG A 62 5.700 9.395 3.612 1.00 0.00 C ATOM 815 CD ARG A 62 6.900 10.297 3.904 1.00 0.00 C ATOM 816 NE ARG A 62 6.563 11.704 3.592 1.00 0.00 N ATOM 817 CZ ARG A 62 6.391 12.179 2.352 1.00 0.00 C ATOM 818 NH1 ARG A 62 6.525 11.361 1.298 1.00 0.00 N ATOM 819 NH2 ARG A 62 6.087 13.470 2.164 1.00 0.00 N ATOM 0 H ARG A 62 5.088 8.309 0.956 1.00 0.00 H new ATOM 0 HA ARG A 62 5.332 6.149 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.605 7.492 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.925 8.051 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.104 9.826 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.058 9.341 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.187 10.207 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.757 9.979 3.310 1.00 0.00 H new ATOM 0 HE ARG A 62 6.455 12.353 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.758 10.378 1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.394 11.721 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.986 14.092 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.956 13.831 1.219 1.00 0.00 H new ATOM 830 N GLY A 63 4.067 6.145 4.691 1.00 0.00 N ATOM 831 CA GLY A 63 3.115 5.967 5.774 1.00 0.00 C ATOM 832 C GLY A 63 3.269 4.588 6.420 1.00 0.00 C ATOM 833 O GLY A 63 4.383 4.089 6.568 1.00 0.00 O ATOM 0 H GLY A 63 4.851 5.493 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.264 6.743 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.100 6.083 5.393 1.00 0.00 H new ATOM 837 N ARG A 64 2.133 4.010 6.784 1.00 0.00 N ATOM 838 CA ARG A 64 2.128 2.699 7.410 1.00 0.00 C ATOM 839 C ARG A 64 1.165 1.766 6.675 1.00 0.00 C ATOM 840 O ARG A 64 -0.037 2.024 6.621 1.00 0.00 O ATOM 841 CB ARG A 64 1.716 2.792 8.880 1.00 0.00 C ATOM 842 CG ARG A 64 2.909 3.170 9.761 1.00 0.00 C ATOM 843 CD ARG A 64 2.490 3.290 11.228 1.00 0.00 C ATOM 844 NE ARG A 64 3.455 4.140 11.961 1.00 0.00 N ATOM 845 CZ ARG A 64 3.499 4.246 13.297 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.634 3.556 14.052 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.409 5.041 13.876 1.00 0.00 N ATOM 0 H ARG A 64 1.210 4.426 6.657 1.00 0.00 H new ATOM 0 HA ARG A 64 3.141 2.300 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.926 3.534 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.306 1.837 9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.691 2.417 9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.332 4.115 9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.490 3.719 11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.444 2.301 11.684 1.00 0.00 H new ATOM 0 HE ARG A 64 4.128 4.679 11.416 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.942 2.950 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.667 3.636 15.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.068 5.565 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.443 5.122 14.892 1.00 0.00 H new ATOM 858 N VAL A 65 1.727 0.699 6.126 1.00 0.00 N ATOM 859 CA VAL A 65 0.933 -0.275 5.397 1.00 0.00 C ATOM 860 C VAL A 65 0.352 -1.293 6.381 1.00 0.00 C ATOM 861 O VAL A 65 1.021 -1.694 7.332 1.00 0.00 O ATOM 862 CB VAL A 65 1.779 -0.922 4.298 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.960 -1.945 3.507 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.375 0.138 3.370 1.00 0.00 C ATOM 0 H VAL A 65 2.724 0.488 6.172 1.00 0.00 H new ATOM 0 HA VAL A 65 0.094 0.212 4.900 1.00 0.00 H new ATOM 0 HB VAL A 65 2.604 -1.450 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.584 -2.390 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.605 -2.726 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.107 -1.449 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.972 -0.348 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.571 0.706 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.008 0.812 3.947 1.00 0.00 H new ATOM 874 N LYS A 66 -0.888 -1.680 6.119 1.00 0.00 N ATOM 875 CA LYS A 66 -1.566 -2.643 6.970 1.00 0.00 C ATOM 876 C LYS A 66 -2.448 -3.548 6.107 1.00 0.00 C ATOM 877 O LYS A 66 -3.113 -3.076 5.186 1.00 0.00 O ATOM 878 CB LYS A 66 -2.327 -1.927 8.087 1.00 0.00 C ATOM 879 CG LYS A 66 -2.799 -2.921 9.152 1.00 0.00 C ATOM 880 CD LYS A 66 -4.320 -3.087 9.111 1.00 0.00 C ATOM 881 CE LYS A 66 -4.828 -3.801 10.363 1.00 0.00 C ATOM 882 NZ LYS A 66 -5.814 -2.959 11.077 1.00 0.00 N ATOM 0 H LYS A 66 -1.440 -1.344 5.330 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.842 -3.286 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.685 -1.175 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.185 -1.402 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.320 -3.887 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.494 -2.574 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.794 -2.109 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.604 -3.654 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.285 -4.751 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.991 -4.030 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.149 -3.460 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.367 -2.063 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.620 -2.762 10.451 1.00 0.00 H new ATOM 892 N TYR A 67 -2.425 -4.831 6.435 1.00 0.00 N ATOM 893 CA TYR A 67 -3.215 -5.805 5.701 1.00 0.00 C ATOM 894 C TYR A 67 -4.658 -5.834 6.206 1.00 0.00 C ATOM 895 O TYR A 67 -4.898 -5.999 7.402 1.00 0.00 O ATOM 896 CB TYR A 67 -2.565 -7.163 5.971 1.00 0.00 C ATOM 897 CG TYR A 67 -2.406 -8.035 4.724 1.00 0.00 C ATOM 898 CD1 TYR A 67 -1.468 -7.705 3.767 1.00 0.00 C ATOM 899 CD2 TYR A 67 -3.198 -9.153 4.556 1.00 0.00 C ATOM 900 CE1 TYR A 67 -1.317 -8.526 2.593 1.00 0.00 C ATOM 901 CE2 TYR A 67 -3.048 -9.973 3.382 1.00 0.00 C ATOM 902 CZ TYR A 67 -2.115 -9.619 2.459 1.00 0.00 C ATOM 903 OH TYR A 67 -1.972 -10.394 1.351 1.00 0.00 O ATOM 0 H TYR A 67 -1.872 -5.219 7.199 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.241 -5.557 4.640 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.584 -7.002 6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.164 -7.702 6.705 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.847 -6.831 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.931 -9.413 5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.587 -8.279 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.663 -10.849 3.238 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.258 -10.030 0.787 1.00 0.00 H new ATOM 912 N ILE A 68 -5.583 -5.670 5.271 1.00 0.00 N ATOM 913 CA ILE A 68 -6.996 -5.675 5.608 1.00 0.00 C ATOM 914 C ILE A 68 -7.656 -6.917 5.003 1.00 0.00 C ATOM 915 O ILE A 68 -8.375 -7.640 5.691 1.00 0.00 O ATOM 916 CB ILE A 68 -7.653 -4.362 5.180 1.00 0.00 C ATOM 917 CG1 ILE A 68 -7.417 -3.266 6.222 1.00 0.00 C ATOM 918 CG2 ILE A 68 -9.142 -4.562 4.888 1.00 0.00 C ATOM 919 CD1 ILE A 68 -8.499 -2.188 6.140 1.00 0.00 C ATOM 0 H ILE A 68 -5.381 -5.533 4.281 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.129 -5.735 6.688 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.184 -4.033 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.410 -3.704 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.437 -2.815 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.584 -3.613 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.261 -5.289 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.643 -4.927 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.307 -1.422 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.487 -1.735 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.475 -2.638 6.322 1.00 0.00 H new ATOM 930 N LYS A 69 -7.386 -7.127 3.723 1.00 0.00 N ATOM 931 CA LYS A 69 -7.944 -8.268 3.018 1.00 0.00 C ATOM 932 C LYS A 69 -7.055 -9.491 3.252 1.00 0.00 C ATOM 933 O LYS A 69 -5.832 -9.399 3.162 1.00 0.00 O ATOM 934 CB LYS A 69 -8.154 -7.935 1.539 1.00 0.00 C ATOM 935 CG LYS A 69 -8.868 -6.592 1.377 1.00 0.00 C ATOM 936 CD LYS A 69 -10.315 -6.676 1.867 1.00 0.00 C ATOM 937 CE LYS A 69 -11.168 -7.518 0.916 1.00 0.00 C ATOM 938 NZ LYS A 69 -11.248 -8.917 1.392 1.00 0.00 N ATOM 0 H LYS A 69 -6.788 -6.526 3.156 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.932 -8.511 3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.191 -7.903 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.740 -8.722 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.335 -5.823 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.852 -6.292 0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.340 -7.112 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.735 -5.673 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.170 -7.094 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.739 -7.493 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.016 -9.563 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.573 -9.058 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.212 -9.114 1.730 1.00 0.00 H new ATOM 948 N ARG A 70 -7.704 -10.607 3.547 1.00 0.00 N ATOM 949 CA ARG A 70 -6.987 -11.846 3.795 1.00 0.00 C ATOM 950 C ARG A 70 -6.047 -12.158 2.629 1.00 0.00 C ATOM 951 O ARG A 70 -6.336 -11.811 1.485 1.00 0.00 O ATOM 952 CB ARG A 70 -7.957 -13.015 3.986 1.00 0.00 C ATOM 953 CG ARG A 70 -8.234 -13.260 5.470 1.00 0.00 C ATOM 954 CD ARG A 70 -9.389 -12.388 5.964 1.00 0.00 C ATOM 955 NE ARG A 70 -10.394 -13.224 6.659 1.00 0.00 N ATOM 956 CZ ARG A 70 -11.559 -12.760 7.133 1.00 0.00 C ATOM 957 NH1 ARG A 70 -11.873 -11.466 6.989 1.00 0.00 N ATOM 958 NH2 ARG A 70 -12.409 -13.591 7.749 1.00 0.00 N ATOM 0 H ARG A 70 -8.719 -10.679 3.620 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.407 -11.716 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.892 -12.804 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.539 -13.916 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.473 -14.311 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.337 -13.045 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.012 -11.620 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.852 -11.873 5.123 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.187 -14.215 6.785 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.226 -10.833 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.759 -11.113 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.170 -14.577 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.296 -13.238 8.110 1.00 0.00 H new ATOM 969 N PRO A 71 -4.912 -12.826 2.968 1.00 0.00 N ATOM 970 CA PRO A 71 -3.928 -13.189 1.963 1.00 0.00 C ATOM 971 C PRO A 71 -4.414 -14.371 1.121 1.00 0.00 C ATOM 972 O PRO A 71 -4.659 -15.455 1.649 1.00 0.00 O ATOM 973 CB PRO A 71 -2.661 -13.497 2.745 1.00 0.00 C ATOM 974 CG PRO A 71 -3.107 -13.748 4.177 1.00 0.00 C ATOM 975 CD PRO A 71 -4.538 -13.254 4.313 1.00 0.00 C ATOM 0 HA PRO A 71 -3.750 -12.392 1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.152 -14.369 2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.959 -12.665 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.045 -14.810 4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.455 -13.226 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.197 -14.043 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.607 -12.431 5.024 1.00 0.00 H new ATOM 980 N GLY A 72 -4.538 -14.122 -0.174 1.00 0.00 N ATOM 981 CA GLY A 72 -4.990 -15.152 -1.094 1.00 0.00 C ATOM 982 C GLY A 72 -6.344 -14.785 -1.705 1.00 0.00 C ATOM 983 O GLY A 72 -7.113 -15.665 -2.089 1.00 0.00 O ATOM 0 H GLY A 72 -4.333 -13.222 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.254 -15.286 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.070 -16.104 -0.569 1.00 0.00 H new ATOM 987 N ALA A 73 -6.595 -13.487 -1.774 1.00 0.00 N ATOM 988 CA ALA A 73 -7.843 -12.994 -2.330 1.00 0.00 C ATOM 989 C ALA A 73 -7.667 -12.752 -3.831 1.00 0.00 C ATOM 990 O ALA A 73 -6.571 -12.915 -4.365 1.00 0.00 O ATOM 991 CB ALA A 73 -8.272 -11.729 -1.582 1.00 0.00 C ATOM 0 H ALA A 73 -5.955 -12.761 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.636 -13.731 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.209 -11.359 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.412 -11.960 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.501 -10.965 -1.687 1.00 0.00 H new ATOM 997 N VAL A 74 -8.763 -12.368 -4.468 1.00 0.00 N ATOM 998 CA VAL A 74 -8.744 -12.104 -5.896 1.00 0.00 C ATOM 999 C VAL A 74 -8.538 -10.605 -6.130 1.00 0.00 C ATOM 1000 O VAL A 74 -9.417 -9.800 -5.826 1.00 0.00 O ATOM 1001 CB VAL A 74 -10.022 -12.640 -6.545 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.258 -12.232 -5.741 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -10.136 -12.174 -7.999 1.00 0.00 C ATOM 0 H VAL A 74 -9.670 -12.233 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.912 -12.625 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.966 -13.729 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.152 -12.626 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.184 -12.634 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.319 -11.145 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.053 -12.569 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.158 -11.085 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.278 -12.536 -8.566 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.373 -10.278 -6.668 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.041 -8.891 -6.946 1.00 0.00 C ATOM 1015 C LEU A 75 -7.709 -8.463 -8.254 1.00 0.00 C ATOM 1016 O LEU A 75 -7.530 -9.106 -9.287 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.524 -8.690 -6.937 1.00 0.00 C ATOM 1018 CG LEU A 75 -4.972 -7.791 -5.829 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.018 -6.319 -6.244 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.704 -8.037 -4.508 1.00 0.00 C ATOM 0 H LEU A 75 -6.647 -10.949 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.430 -8.243 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.049 -9.667 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.227 -8.271 -7.899 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.925 -8.048 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.620 -5.701 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.418 -6.175 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.049 -6.030 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.292 -7.385 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.765 -7.823 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.576 -9.078 -4.210 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.467 -7.378 -8.167 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.163 -6.858 -9.330 1.00 0.00 C ATOM 1033 C GLU A 76 -8.865 -5.366 -9.504 1.00 0.00 C ATOM 1034 O GLU A 76 -8.473 -4.693 -8.552 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.670 -7.105 -9.225 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.025 -8.523 -9.680 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.513 -8.632 -10.022 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -12.859 -8.274 -11.168 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.268 -9.071 -9.129 1.00 0.00 O ATOM 0 H GLU A 76 -8.613 -6.846 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.801 -7.388 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.996 -6.957 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.205 -6.378 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.427 -8.790 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.776 -9.235 -8.893 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.061 -4.895 -10.727 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.817 -3.497 -11.038 1.00 0.00 C ATOM 1046 C ALA A 77 -9.748 -2.622 -10.196 1.00 0.00 C ATOM 1047 O ALA A 77 -10.932 -2.924 -10.056 1.00 0.00 O ATOM 1048 CB ALA A 77 -9.001 -3.268 -12.539 1.00 0.00 C ATOM 0 H ALA A 77 -9.386 -5.457 -11.514 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.792 -3.222 -10.790 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.818 -2.219 -12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.297 -3.891 -13.091 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.019 -3.531 -12.825 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.177 -1.555 -9.656 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.941 -0.634 -8.831 1.00 0.00 C ATOM 1056 C GLY A 78 -10.611 -1.367 -7.667 1.00 0.00 C ATOM 1057 O GLY A 78 -11.836 -1.376 -7.558 1.00 0.00 O ATOM 0 H GLY A 78 -8.194 -1.308 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.284 0.145 -8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.699 -0.139 -9.438 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.777 -1.963 -6.827 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.273 -2.697 -5.675 1.00 0.00 C ATOM 1063 C CYS A 79 -9.482 -2.251 -4.444 1.00 0.00 C ATOM 1064 O CYS A 79 -8.525 -1.486 -4.560 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.191 -4.210 -5.889 1.00 0.00 C ATOM 1066 SG CYS A 79 -11.753 -4.825 -6.616 1.00 0.00 S ATOM 0 H CYS A 79 -8.761 -1.953 -6.921 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.330 -2.474 -5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.356 -4.448 -6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.001 -4.710 -4.939 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.367 -3.848 -7.215 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.909 -2.747 -3.293 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.252 -2.410 -2.042 1.00 0.00 C ATOM 1073 C VAL A 80 -8.308 -3.545 -1.644 1.00 0.00 C ATOM 1074 O VAL A 80 -8.625 -4.717 -1.836 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.299 -2.099 -0.969 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -11.055 -3.364 -0.558 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.656 -1.425 0.244 1.00 0.00 C ATOM 0 H VAL A 80 -10.703 -3.381 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.647 -1.511 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.020 -1.402 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.793 -3.115 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.560 -3.785 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.352 -4.095 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.421 -1.215 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.903 -2.087 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.185 -0.492 -0.065 1.00 0.00 H new ATOM 1087 N VAL A 81 -7.165 -3.156 -1.097 1.00 0.00 N ATOM 1088 CA VAL A 81 -6.172 -4.127 -0.670 1.00 0.00 C ATOM 1089 C VAL A 81 -5.734 -3.808 0.762 1.00 0.00 C ATOM 1090 O VAL A 81 -5.865 -4.643 1.655 1.00 0.00 O ATOM 1091 CB VAL A 81 -5.005 -4.151 -1.660 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.991 -5.235 -1.286 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.506 -4.340 -3.093 1.00 0.00 C ATOM 0 H VAL A 81 -6.905 -2.182 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.598 -5.130 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.500 -3.187 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.172 -5.231 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.599 -5.038 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.479 -6.209 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.657 -4.353 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.047 -5.283 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.171 -3.518 -3.357 1.00 0.00 H new ATOM 1103 N ALA A 82 -5.225 -2.598 0.934 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.768 -2.158 2.242 1.00 0.00 C ATOM 1105 C ALA A 82 -4.872 -0.634 2.328 1.00 0.00 C ATOM 1106 O ALA A 82 -4.920 0.048 1.304 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.342 -2.659 2.480 1.00 0.00 C ATOM 0 H ALA A 82 -5.119 -1.908 0.190 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.396 -2.576 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.999 -2.329 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.327 -3.748 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.682 -2.257 1.711 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.903 -0.142 3.557 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.999 1.289 3.790 1.00 0.00 C ATOM 1115 C ARG A 83 -3.669 1.833 4.313 1.00 0.00 C ATOM 1116 O ARG A 83 -2.889 1.099 4.919 1.00 0.00 O ATOM 1117 CB ARG A 83 -6.106 1.609 4.798 1.00 0.00 C ATOM 1118 CG ARG A 83 -7.399 2.005 4.084 1.00 0.00 C ATOM 1119 CD ARG A 83 -8.387 0.837 4.052 1.00 0.00 C ATOM 1120 NE ARG A 83 -9.577 1.157 4.873 1.00 0.00 N ATOM 1121 CZ ARG A 83 -10.494 2.075 4.539 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -10.364 2.769 3.400 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -11.542 2.299 5.345 1.00 0.00 N ATOM 0 H ARG A 83 -4.863 -0.710 4.404 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.240 1.764 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.288 0.741 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.784 2.420 5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.853 2.856 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.174 2.324 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.688 0.633 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.907 -0.066 4.429 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.707 0.647 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.567 2.598 2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.062 3.468 3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.641 1.771 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.240 2.998 5.091 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.450 3.115 4.059 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.226 3.765 4.497 1.00 0.00 C ATOM 1136 C LEU A 84 -2.549 4.733 5.637 1.00 0.00 C ATOM 1137 O LEU A 84 -3.600 5.374 5.635 1.00 0.00 O ATOM 1138 CB LEU A 84 -1.517 4.425 3.312 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.110 3.910 3.002 1.00 0.00 C ATOM 1140 CD1 LEU A 84 0.320 4.309 1.589 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.891 4.378 4.059 1.00 0.00 C ATOM 0 H LEU A 84 -4.099 3.721 3.556 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.523 3.031 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.135 4.292 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.457 5.497 3.501 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.129 2.821 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.323 3.931 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.375 3.885 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.318 5.395 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.883 3.998 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.915 5.468 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.590 4.003 5.037 1.00 0.00 H new ATOM 1152 N GLU A 85 -1.625 4.810 6.584 1.00 0.00 N ATOM 1153 CA GLU A 85 -1.798 5.690 7.727 1.00 0.00 C ATOM 1154 C GLU A 85 -0.657 6.707 7.793 1.00 0.00 C ATOM 1155 O GLU A 85 0.455 6.371 8.198 1.00 0.00 O ATOM 1156 CB GLU A 85 -1.893 4.887 9.028 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.186 5.211 9.779 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.559 4.079 10.739 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -2.641 3.611 11.447 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -4.753 3.709 10.744 1.00 0.00 O ATOM 0 H GLU A 85 -0.755 4.278 6.583 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.735 6.233 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.855 3.821 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.035 5.111 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.065 6.140 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.995 5.370 9.066 1.00 0.00 H new