USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 439 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 31 LYS NZ :NH3+ -115:sc= 0.376 (180deg=0.0443) USER MOD Set 1.2: A 67 TYR OH : rot 113:sc= 0.0775 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00216 (180deg=-0.078) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -15:sc= -0.986 USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.478 USER MOD Single : A 38 GLN : amide:sc= -0.0874 K(o=-0.087,f=-0.78) USER MOD Single : A 39 MET CE :methyl -164:sc= -0.238 (180deg=-1.26) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.158 (180deg=-0.592) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 169:sc= -2.62 (180deg=-3.03!) USER MOD Single : A 60 LYS NZ :NH3+ 143:sc= -0.261 (180deg=-1.8!) USER MOD Single : A 61 ASN : amide:sc= 0.12 K(o=0.12,f=-3.2!) USER MOD Single : A 66 MET CE :methyl 146:sc= -0.75 (180deg=-4.97!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -0.824 -3.768 7.736 1.00 0.00 N ATOM 288 CA ASN A 23 -1.858 -3.007 8.429 1.00 0.00 C ATOM 289 C ASN A 23 -2.499 -1.985 7.495 1.00 0.00 C ATOM 290 O ASN A 23 -2.027 -1.768 6.379 1.00 0.00 O ATOM 291 CB ASN A 23 -1.267 -2.299 9.649 1.00 0.00 C ATOM 292 CG ASN A 23 -0.359 -3.203 10.459 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.756 -4.294 10.870 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.869 -2.753 10.693 1.00 0.00 N ATOM 0 HA ASN A 23 -2.628 -3.704 8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.705 -1.424 9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.076 -1.939 10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.525 -3.318 11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.156 -1.843 10.333 1.00 0.00 H new ATOM 301 N ALA A 24 -3.575 -1.360 7.959 1.00 0.00 N ATOM 302 CA ALA A 24 -4.280 -0.359 7.167 1.00 0.00 C ATOM 303 C ALA A 24 -3.343 0.770 6.752 1.00 0.00 C ATOM 304 O ALA A 24 -3.252 1.113 5.573 1.00 0.00 O ATOM 305 CB ALA A 24 -5.464 0.193 7.947 1.00 0.00 C ATOM 0 H ALA A 24 -3.979 -1.529 8.880 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.650 -0.841 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.981 0.939 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.151 -0.618 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.109 0.654 8.869 1.00 0.00 H new ATOM 311 N PHE A 25 -2.649 1.346 7.729 1.00 0.00 N ATOM 312 CA PHE A 25 -1.721 2.439 7.464 1.00 0.00 C ATOM 313 C PHE A 25 -0.719 2.052 6.381 1.00 0.00 C ATOM 314 O PHE A 25 -0.416 2.844 5.489 1.00 0.00 O ATOM 315 CB PHE A 25 -0.979 2.827 8.745 1.00 0.00 C ATOM 316 CG PHE A 25 -0.066 4.007 8.575 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.583 5.274 8.355 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.309 3.851 8.636 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.255 6.362 8.197 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.153 4.935 8.479 1.00 0.00 C ATOM 321 CZ PHE A 25 1.625 6.192 8.261 1.00 0.00 C ATOM 0 H PHE A 25 -2.712 1.074 8.710 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.297 3.294 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.708 3.051 9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.396 1.973 9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.653 5.413 8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.727 2.870 8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.160 7.344 8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.223 4.799 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.282 7.041 8.141 1.00 0.00 H new ATOM 331 N MET A 26 -0.209 0.828 6.465 1.00 0.00 N ATOM 332 CA MET A 26 0.759 0.334 5.492 1.00 0.00 C ATOM 333 C MET A 26 0.243 0.525 4.069 1.00 0.00 C ATOM 334 O MET A 26 0.982 0.958 3.183 1.00 0.00 O ATOM 335 CB MET A 26 1.059 -1.144 5.744 1.00 0.00 C ATOM 336 CG MET A 26 1.625 -1.422 7.127 1.00 0.00 C ATOM 337 SD MET A 26 2.809 -2.781 7.134 1.00 0.00 S ATOM 338 CE MET A 26 3.993 -2.194 8.343 1.00 0.00 C ATOM 0 H MET A 26 -0.450 0.160 7.197 1.00 0.00 H new ATOM 0 HA MET A 26 1.679 0.908 5.607 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.143 -1.720 5.613 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.767 -1.496 4.993 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.110 -0.522 7.504 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.808 -1.654 7.810 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.790 -2.929 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.418 -1.248 8.007 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.493 -2.047 9.300 1.00 0.00 H new ATOM 348 N LEU A 27 -1.027 0.200 3.856 1.00 0.00 N ATOM 349 CA LEU A 27 -1.641 0.335 2.540 1.00 0.00 C ATOM 350 C LEU A 27 -1.736 1.801 2.131 1.00 0.00 C ATOM 351 O LEU A 27 -1.689 2.131 0.946 1.00 0.00 O ATOM 352 CB LEU A 27 -3.033 -0.299 2.537 1.00 0.00 C ATOM 353 CG LEU A 27 -3.430 -1.042 1.261 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.470 -2.189 0.990 1.00 0.00 C ATOM 355 CD2 LEU A 27 -4.860 -1.553 1.364 1.00 0.00 C ATOM 0 H LEU A 27 -1.652 -0.159 4.578 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.011 -0.184 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.095 -0.996 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.768 0.485 2.720 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.374 -0.344 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.769 -2.706 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.460 -1.797 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.492 -2.887 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.125 -2.079 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.943 -2.235 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.538 -0.711 1.508 1.00 0.00 H new ATOM 367 N PHE A 28 -1.869 2.678 3.121 1.00 0.00 N ATOM 368 CA PHE A 28 -1.970 4.110 2.865 1.00 0.00 C ATOM 369 C PHE A 28 -0.603 4.701 2.530 1.00 0.00 C ATOM 370 O PHE A 28 -0.399 5.245 1.446 1.00 0.00 O ATOM 371 CB PHE A 28 -2.563 4.826 4.081 1.00 0.00 C ATOM 372 CG PHE A 28 -2.428 6.321 4.020 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.310 6.951 4.542 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.420 7.096 3.441 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.184 8.326 4.488 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.300 8.472 3.385 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.180 9.088 3.908 1.00 0.00 C ATOM 0 H PHE A 28 -1.909 2.422 4.108 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.629 4.255 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.618 4.567 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.072 4.461 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.528 6.361 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.297 6.620 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.307 8.805 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.081 9.065 2.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.083 10.163 3.864 1.00 0.00 H new ATOM 387 N ALA A 29 0.330 4.589 3.471 1.00 0.00 N ATOM 388 CA ALA A 29 1.677 5.109 3.276 1.00 0.00 C ATOM 389 C ALA A 29 2.305 4.546 2.005 1.00 0.00 C ATOM 390 O ALA A 29 3.177 5.171 1.401 1.00 0.00 O ATOM 391 CB ALA A 29 2.547 4.789 4.482 1.00 0.00 C ATOM 0 H ALA A 29 0.177 4.143 4.375 1.00 0.00 H new ATOM 0 HA ALA A 29 1.609 6.191 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.550 5.184 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.116 5.245 5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.599 3.709 4.616 1.00 0.00 H new ATOM 397 N LYS A 30 1.856 3.362 1.603 1.00 0.00 N ATOM 398 CA LYS A 30 2.372 2.714 0.404 1.00 0.00 C ATOM 399 C LYS A 30 1.676 3.246 -0.845 1.00 0.00 C ATOM 400 O LYS A 30 2.327 3.718 -1.777 1.00 0.00 O ATOM 401 CB LYS A 30 2.185 1.198 0.498 1.00 0.00 C ATOM 402 CG LYS A 30 2.953 0.423 -0.559 1.00 0.00 C ATOM 403 CD LYS A 30 2.388 -0.974 -0.748 1.00 0.00 C ATOM 404 CE LYS A 30 1.237 -0.980 -1.742 1.00 0.00 C ATOM 405 NZ LYS A 30 1.715 -0.831 -3.145 1.00 0.00 N ATOM 0 H LYS A 30 1.135 2.831 2.091 1.00 0.00 H new ATOM 0 HA LYS A 30 3.436 2.939 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.502 0.862 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.124 0.965 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.916 0.962 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.002 0.356 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.175 -1.642 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.044 -1.361 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.679 -1.911 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.548 -0.169 -1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.932 -1.025 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.059 0.139 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.489 -1.503 -3.321 1.00 0.00 H new ATOM 419 N LYS A 31 0.350 3.168 -0.856 1.00 0.00 N ATOM 420 CA LYS A 31 -0.435 3.645 -1.988 1.00 0.00 C ATOM 421 C LYS A 31 -0.172 5.124 -2.249 1.00 0.00 C ATOM 422 O LYS A 31 -0.220 5.582 -3.391 1.00 0.00 O ATOM 423 CB LYS A 31 -1.927 3.418 -1.732 1.00 0.00 C ATOM 424 CG LYS A 31 -2.792 3.608 -2.966 1.00 0.00 C ATOM 425 CD LYS A 31 -4.259 3.355 -2.664 1.00 0.00 C ATOM 426 CE LYS A 31 -4.984 4.642 -2.301 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.462 4.464 -2.295 1.00 0.00 N ATOM 0 H LYS A 31 -0.204 2.779 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.134 3.080 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.072 2.408 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.262 4.104 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.668 4.622 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.459 2.930 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.737 2.899 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.345 2.644 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.655 4.979 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.715 5.423 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.885 5.045 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.692 3.463 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.843 4.759 -1.374 1.00 0.00 H new ATOM 441 N TYR A 32 0.106 5.867 -1.183 1.00 0.00 N ATOM 442 CA TYR A 32 0.376 7.296 -1.297 1.00 0.00 C ATOM 443 C TYR A 32 1.877 7.566 -1.331 1.00 0.00 C ATOM 444 O TYR A 32 2.314 8.714 -1.258 1.00 0.00 O ATOM 445 CB TYR A 32 -0.264 8.051 -0.131 1.00 0.00 C ATOM 446 CG TYR A 32 -1.705 8.436 -0.376 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.593 7.541 -0.961 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.180 9.693 -0.023 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.911 7.888 -1.187 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.496 10.048 -0.244 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.358 9.142 -0.827 1.00 0.00 C ATOM 452 OH TYR A 32 -5.670 9.492 -1.050 1.00 0.00 O ATOM 0 H TYR A 32 0.150 5.504 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.059 7.649 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.209 7.432 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.315 8.953 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.247 6.558 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.508 10.405 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.588 7.181 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.849 11.029 0.038 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.822 10.409 -0.738 1.00 0.00 H new ATOM 462 N ARG A 33 2.661 6.499 -1.443 1.00 0.00 N ATOM 463 CA ARG A 33 4.113 6.619 -1.486 1.00 0.00 C ATOM 464 C ARG A 33 4.564 7.309 -2.770 1.00 0.00 C ATOM 465 O ARG A 33 5.031 8.448 -2.744 1.00 0.00 O ATOM 466 CB ARG A 33 4.764 5.238 -1.381 1.00 0.00 C ATOM 467 CG ARG A 33 6.276 5.287 -1.236 1.00 0.00 C ATOM 468 CD ARG A 33 6.784 4.184 -0.321 1.00 0.00 C ATOM 469 NE ARG A 33 8.141 3.769 -0.665 1.00 0.00 N ATOM 470 CZ ARG A 33 8.448 3.109 -1.777 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.499 2.792 -2.647 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.706 2.765 -2.020 1.00 0.00 N ATOM 0 H ARG A 33 2.315 5.542 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 33 4.427 7.227 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.342 4.711 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.511 4.658 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.740 5.190 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.573 6.257 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.762 4.531 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.116 3.325 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 33 8.894 3.998 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.531 3.055 -2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.737 2.285 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.439 3.007 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.940 2.258 -2.874 1.00 0.00 H new ATOM 486 N VAL A 34 4.420 6.611 -3.892 1.00 0.00 N ATOM 487 CA VAL A 34 4.812 7.157 -5.187 1.00 0.00 C ATOM 488 C VAL A 34 4.105 8.479 -5.462 1.00 0.00 C ATOM 489 O VAL A 34 4.639 9.347 -6.151 1.00 0.00 O ATOM 490 CB VAL A 34 4.498 6.172 -6.329 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.996 6.000 -6.488 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.130 6.646 -7.629 1.00 0.00 C ATOM 0 H VAL A 34 4.035 5.667 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 34 5.888 7.325 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 34 4.925 5.201 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.794 5.301 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.574 5.612 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.542 6.964 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.898 5.939 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.734 7.628 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.211 6.712 -7.505 1.00 0.00 H new ATOM 502 N GLU A 35 2.900 8.625 -4.919 1.00 0.00 N ATOM 503 CA GLU A 35 2.120 9.842 -5.107 1.00 0.00 C ATOM 504 C GLU A 35 2.797 11.032 -4.433 1.00 0.00 C ATOM 505 O GLU A 35 2.692 12.166 -4.900 1.00 0.00 O ATOM 506 CB GLU A 35 0.708 9.661 -4.547 1.00 0.00 C ATOM 507 CG GLU A 35 0.066 8.337 -4.930 1.00 0.00 C ATOM 508 CD GLU A 35 0.206 8.027 -6.408 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.293 8.981 -7.209 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.229 6.830 -6.762 1.00 0.00 O ATOM 0 H GLU A 35 2.443 7.916 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 35 2.056 10.040 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.745 9.736 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.078 10.477 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.522 7.535 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.991 8.360 -4.666 1.00 0.00 H new ATOM 517 N TYR A 36 3.492 10.764 -3.333 1.00 0.00 N ATOM 518 CA TYR A 36 4.184 11.812 -2.592 1.00 0.00 C ATOM 519 C TYR A 36 5.641 11.919 -3.032 1.00 0.00 C ATOM 520 O TYR A 36 6.263 12.975 -2.915 1.00 0.00 O ATOM 521 CB TYR A 36 4.112 11.537 -1.090 1.00 0.00 C ATOM 522 CG TYR A 36 2.816 11.985 -0.453 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.590 11.573 -0.962 1.00 0.00 C ATOM 524 CD2 TYR A 36 2.817 12.821 0.657 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.404 11.982 -0.384 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.635 13.233 1.242 1.00 0.00 C ATOM 527 CZ TYR A 36 0.431 12.811 0.718 1.00 0.00 C ATOM 528 OH TYR A 36 -0.748 13.218 1.297 1.00 0.00 O ATOM 0 H TYR A 36 3.591 9.830 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 36 3.689 12.759 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.241 10.468 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 36 4.943 12.041 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.564 10.922 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.758 13.154 1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.540 11.654 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.654 13.882 2.105 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.492 13.040 0.684 1.00 0.00 H new ATOM 538 N THR A 37 6.182 10.815 -3.540 1.00 0.00 N ATOM 539 CA THR A 37 7.565 10.781 -3.997 1.00 0.00 C ATOM 540 C THR A 37 7.787 11.756 -5.148 1.00 0.00 C ATOM 541 O THR A 37 8.879 12.300 -5.309 1.00 0.00 O ATOM 542 CB THR A 37 7.973 9.367 -4.451 1.00 0.00 C ATOM 543 OG1 THR A 37 7.518 8.397 -3.500 1.00 0.00 O ATOM 544 CG2 THR A 37 9.482 9.263 -4.607 1.00 0.00 C ATOM 0 H THR A 37 5.682 9.932 -3.645 1.00 0.00 H new ATOM 0 HA THR A 37 8.185 11.075 -3.150 1.00 0.00 H new ATOM 0 HB THR A 37 7.510 9.172 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.538 8.394 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.746 8.255 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.821 9.982 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.962 9.477 -3.652 1.00 0.00 H new ATOM 552 N GLN A 38 6.745 11.972 -5.944 1.00 0.00 N ATOM 553 CA GLN A 38 6.828 12.882 -7.080 1.00 0.00 C ATOM 554 C GLN A 38 6.222 14.239 -6.736 1.00 0.00 C ATOM 555 O GLN A 38 6.616 15.264 -7.291 1.00 0.00 O ATOM 556 CB GLN A 38 6.114 12.284 -8.293 1.00 0.00 C ATOM 557 CG GLN A 38 6.674 10.938 -8.726 1.00 0.00 C ATOM 558 CD GLN A 38 6.396 10.632 -10.184 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.471 11.514 -11.041 1.00 0.00 O ATOM 560 NE2 GLN A 38 6.073 9.378 -10.475 1.00 0.00 N ATOM 0 H GLN A 38 5.834 11.530 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 38 7.881 13.026 -7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.055 12.170 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.184 12.983 -9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.750 10.925 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.243 10.153 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.023 8.679 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.875 9.113 -11.440 1.00 0.00 H new ATOM 569 N MET A 39 5.261 14.237 -5.818 1.00 0.00 N ATOM 570 CA MET A 39 4.601 15.468 -5.400 1.00 0.00 C ATOM 571 C MET A 39 5.516 16.300 -4.507 1.00 0.00 C ATOM 572 O MET A 39 5.488 17.530 -4.547 1.00 0.00 O ATOM 573 CB MET A 39 3.300 15.149 -4.661 1.00 0.00 C ATOM 574 CG MET A 39 2.093 15.032 -5.577 1.00 0.00 C ATOM 575 SD MET A 39 0.531 15.174 -4.689 1.00 0.00 S ATOM 576 CE MET A 39 0.015 13.459 -4.635 1.00 0.00 C ATOM 0 H MET A 39 4.922 13.397 -5.350 1.00 0.00 H new ATOM 0 HA MET A 39 4.370 16.048 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.422 14.214 -4.114 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.111 15.928 -3.922 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.144 15.808 -6.340 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.126 14.073 -6.095 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.043 13.405 -4.380 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.177 12.999 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.597 12.928 -3.882 1.00 0.00 H new ATOM 586 N TYR A 40 6.327 15.621 -3.703 1.00 0.00 N ATOM 587 CA TYR A 40 7.249 16.297 -2.798 1.00 0.00 C ATOM 588 C TYR A 40 8.680 15.819 -3.021 1.00 0.00 C ATOM 589 O TYR A 40 9.271 15.135 -2.185 1.00 0.00 O ATOM 590 CB TYR A 40 6.839 16.056 -1.345 1.00 0.00 C ATOM 591 CG TYR A 40 5.438 16.526 -1.025 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.330 15.778 -1.402 1.00 0.00 C ATOM 593 CD2 TYR A 40 5.223 17.718 -0.344 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.048 16.204 -1.112 1.00 0.00 C ATOM 595 CE2 TYR A 40 3.944 18.151 -0.049 1.00 0.00 C ATOM 596 CZ TYR A 40 2.860 17.391 -0.435 1.00 0.00 C ATOM 597 OH TYR A 40 1.585 17.818 -0.144 1.00 0.00 O ATOM 0 H TYR A 40 6.365 14.603 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 40 7.206 17.366 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.914 14.991 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.543 16.566 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.473 14.847 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.069 18.316 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.198 15.611 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.794 19.080 0.481 1.00 0.00 H new ATOM 0 HH TYR A 40 1.627 18.671 0.337 1.00 0.00 H new ATOM 607 N PRO A 41 9.253 16.187 -4.177 1.00 0.00 N ATOM 608 CA PRO A 41 10.623 15.808 -4.537 1.00 0.00 C ATOM 609 C PRO A 41 11.665 16.518 -3.681 1.00 0.00 C ATOM 610 O PRO A 41 11.418 17.605 -3.159 1.00 0.00 O ATOM 611 CB PRO A 41 10.740 16.250 -5.998 1.00 0.00 C ATOM 612 CG PRO A 41 9.744 17.348 -6.143 1.00 0.00 C ATOM 613 CD PRO A 41 8.608 17.002 -5.220 1.00 0.00 C ATOM 0 HA PRO A 41 10.806 14.745 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.748 16.597 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.524 15.427 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.183 18.310 -5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.399 17.428 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.143 17.895 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.825 16.447 -5.737 1.00 0.00 H new ATOM 621 N GLY A 42 12.832 15.897 -3.541 1.00 0.00 N ATOM 622 CA GLY A 42 13.895 16.485 -2.747 1.00 0.00 C ATOM 623 C GLY A 42 13.826 16.074 -1.289 1.00 0.00 C ATOM 624 O GLY A 42 14.836 15.701 -0.692 1.00 0.00 O ATOM 0 H GLY A 42 13.060 14.997 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.859 16.188 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.839 17.571 -2.818 1.00 0.00 H new ATOM 628 N LYS A 43 12.630 16.144 -0.713 1.00 0.00 N ATOM 629 CA LYS A 43 12.432 15.776 0.684 1.00 0.00 C ATOM 630 C LYS A 43 12.927 14.358 0.950 1.00 0.00 C ATOM 631 O LYS A 43 12.946 13.519 0.049 1.00 0.00 O ATOM 632 CB LYS A 43 10.952 15.889 1.057 1.00 0.00 C ATOM 633 CG LYS A 43 10.470 17.321 1.209 1.00 0.00 C ATOM 634 CD LYS A 43 9.078 17.380 1.816 1.00 0.00 C ATOM 635 CE LYS A 43 8.540 18.803 1.839 1.00 0.00 C ATOM 636 NZ LYS A 43 7.224 18.886 2.530 1.00 0.00 N ATOM 0 H LYS A 43 11.784 16.452 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 43 13.010 16.465 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.354 15.393 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.780 15.356 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.166 17.875 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.464 17.809 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.403 16.744 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.105 16.984 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.256 19.454 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.438 19.169 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.781 19.804 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.606 18.120 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.364 18.792 3.556 1.00 0.00 H new ATOM 650 N ASP A 44 13.326 14.098 2.190 1.00 0.00 N ATOM 651 CA ASP A 44 13.819 12.781 2.574 1.00 0.00 C ATOM 652 C ASP A 44 12.665 11.858 2.953 1.00 0.00 C ATOM 653 O ASP A 44 11.577 12.318 3.299 1.00 0.00 O ATOM 654 CB ASP A 44 14.798 12.900 3.743 1.00 0.00 C ATOM 655 CG ASP A 44 15.555 11.612 3.998 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.513 11.329 3.248 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.190 10.886 4.946 1.00 0.00 O ATOM 0 H ASP A 44 13.318 14.782 2.946 1.00 0.00 H new ATOM 0 HA ASP A 44 14.338 12.351 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.508 13.701 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.252 13.181 4.643 1.00 0.00 H new ATOM 662 N ASN A 45 12.910 10.554 2.885 1.00 0.00 N ATOM 663 CA ASN A 45 11.890 9.566 3.219 1.00 0.00 C ATOM 664 C ASN A 45 11.285 9.852 4.590 1.00 0.00 C ATOM 665 O ASN A 45 10.068 9.787 4.768 1.00 0.00 O ATOM 666 CB ASN A 45 12.488 8.158 3.197 1.00 0.00 C ATOM 667 CG ASN A 45 11.513 7.108 3.693 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.435 6.929 3.127 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.889 6.407 4.757 1.00 0.00 N ATOM 0 H ASN A 45 13.806 10.156 2.602 1.00 0.00 H new ATOM 0 HA ASN A 45 11.099 9.629 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.796 7.913 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.385 8.138 3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.275 5.687 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.792 6.589 5.195 1.00 0.00 H new ATOM 676 N ARG A 46 12.142 10.169 5.555 1.00 0.00 N ATOM 677 CA ARG A 46 11.692 10.464 6.910 1.00 0.00 C ATOM 678 C ARG A 46 10.629 11.558 6.903 1.00 0.00 C ATOM 679 O ARG A 46 9.776 11.615 7.789 1.00 0.00 O ATOM 680 CB ARG A 46 12.875 10.893 7.781 1.00 0.00 C ATOM 681 CG ARG A 46 12.545 10.964 9.263 1.00 0.00 C ATOM 682 CD ARG A 46 12.509 9.580 9.892 1.00 0.00 C ATOM 683 NE ARG A 46 12.083 9.625 11.288 1.00 0.00 N ATOM 684 CZ ARG A 46 12.255 8.621 12.142 1.00 0.00 C ATOM 685 NH1 ARG A 46 12.841 7.501 11.743 1.00 0.00 N ATOM 686 NH2 ARG A 46 11.840 8.738 13.397 1.00 0.00 N ATOM 0 H ARG A 46 13.152 10.228 5.424 1.00 0.00 H new ATOM 0 HA ARG A 46 11.253 9.557 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.697 10.192 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.225 11.870 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.287 11.578 9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.580 11.452 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.830 8.942 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.499 9.127 9.829 1.00 0.00 H new ATOM 0 HE ARG A 46 11.629 10.473 11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.161 7.408 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.972 6.732 12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.389 9.599 13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.972 7.967 14.052 1.00 0.00 H new ATOM 700 N ALA A 47 10.686 12.426 5.898 1.00 0.00 N ATOM 701 CA ALA A 47 9.727 13.517 5.775 1.00 0.00 C ATOM 702 C ALA A 47 8.429 13.038 5.133 1.00 0.00 C ATOM 703 O ALA A 47 7.338 13.384 5.586 1.00 0.00 O ATOM 704 CB ALA A 47 10.328 14.659 4.968 1.00 0.00 C ATOM 0 H ALA A 47 11.386 12.395 5.157 1.00 0.00 H new ATOM 0 HA ALA A 47 9.494 13.878 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.601 15.467 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.223 15.027 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.591 14.302 3.972 1.00 0.00 H new ATOM 710 N ILE A 48 8.556 12.242 4.077 1.00 0.00 N ATOM 711 CA ILE A 48 7.392 11.716 3.374 1.00 0.00 C ATOM 712 C ILE A 48 6.478 10.948 4.322 1.00 0.00 C ATOM 713 O ILE A 48 5.272 10.852 4.096 1.00 0.00 O ATOM 714 CB ILE A 48 7.806 10.790 2.215 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.699 11.542 1.226 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.575 10.238 1.513 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.999 12.691 0.534 1.00 0.00 C ATOM 0 H ILE A 48 9.452 11.947 3.689 1.00 0.00 H new ATOM 0 HA ILE A 48 6.854 12.573 2.969 1.00 0.00 H new ATOM 0 HB ILE A 48 8.373 9.953 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.572 11.924 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.063 10.843 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.884 9.585 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.975 9.670 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.983 11.062 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.691 13.179 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.142 12.312 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.659 13.411 1.278 1.00 0.00 H new ATOM 729 N SER A 49 7.060 10.404 5.386 1.00 0.00 N ATOM 730 CA SER A 49 6.298 9.643 6.369 1.00 0.00 C ATOM 731 C SER A 49 5.549 10.575 7.316 1.00 0.00 C ATOM 732 O SER A 49 4.348 10.418 7.539 1.00 0.00 O ATOM 733 CB SER A 49 7.227 8.726 7.167 1.00 0.00 C ATOM 734 OG SER A 49 6.597 8.265 8.349 1.00 0.00 O ATOM 0 H SER A 49 8.057 10.476 5.589 1.00 0.00 H new ATOM 0 HA SER A 49 5.569 9.034 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.520 7.875 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.140 9.263 7.424 1.00 0.00 H new ATOM 0 HG SER A 49 7.211 7.680 8.840 1.00 0.00 H new ATOM 740 N VAL A 50 6.266 11.546 7.871 1.00 0.00 N ATOM 741 CA VAL A 50 5.671 12.505 8.794 1.00 0.00 C ATOM 742 C VAL A 50 4.475 13.208 8.160 1.00 0.00 C ATOM 743 O VAL A 50 3.473 13.470 8.825 1.00 0.00 O ATOM 744 CB VAL A 50 6.696 13.564 9.242 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.052 14.561 10.194 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.900 12.898 9.889 1.00 0.00 C ATOM 0 H VAL A 50 7.261 11.690 7.697 1.00 0.00 H new ATOM 0 HA VAL A 50 5.338 11.941 9.665 1.00 0.00 H new ATOM 0 HB VAL A 50 7.039 14.108 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.791 15.301 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.224 15.061 9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.679 14.036 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.614 13.660 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.576 12.328 10.760 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.374 12.228 9.172 1.00 0.00 H new ATOM 756 N ILE A 51 4.588 13.509 6.871 1.00 0.00 N ATOM 757 CA ILE A 51 3.515 14.180 6.147 1.00 0.00 C ATOM 758 C ILE A 51 2.380 13.213 5.826 1.00 0.00 C ATOM 759 O ILE A 51 1.210 13.595 5.812 1.00 0.00 O ATOM 760 CB ILE A 51 4.027 14.807 4.836 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.212 15.732 5.117 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.907 15.567 4.141 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.910 16.217 3.866 1.00 0.00 C ATOM 0 H ILE A 51 5.411 13.299 6.306 1.00 0.00 H new ATOM 0 HA ILE A 51 3.142 14.971 6.797 1.00 0.00 H new ATOM 0 HB ILE A 51 4.363 14.009 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.863 16.594 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.932 15.206 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.283 16.005 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.090 14.883 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.544 16.359 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.740 16.868 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.290 15.362 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.204 16.771 3.247 1.00 0.00 H new ATOM 775 N LEU A 52 2.734 11.958 5.570 1.00 0.00 N ATOM 776 CA LEU A 52 1.746 10.934 5.250 1.00 0.00 C ATOM 777 C LEU A 52 0.865 10.632 6.458 1.00 0.00 C ATOM 778 O LEU A 52 -0.360 10.587 6.351 1.00 0.00 O ATOM 779 CB LEU A 52 2.441 9.656 4.779 1.00 0.00 C ATOM 780 CG LEU A 52 2.733 9.564 3.281 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.558 8.324 2.973 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.437 9.555 2.484 1.00 0.00 C ATOM 0 H LEU A 52 3.698 11.625 5.578 1.00 0.00 H new ATOM 0 HA LEU A 52 1.113 11.313 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.383 9.558 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.822 8.804 5.061 1.00 0.00 H new ATOM 0 HG LEU A 52 3.310 10.441 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.756 8.275 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.503 8.372 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.008 7.435 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.665 9.489 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.834 8.697 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.883 10.473 2.680 1.00 0.00 H new ATOM 794 N GLY A 53 1.498 10.427 7.610 1.00 0.00 N ATOM 795 CA GLY A 53 0.757 10.134 8.822 1.00 0.00 C ATOM 796 C GLY A 53 -0.322 11.160 9.104 1.00 0.00 C ATOM 797 O GLY A 53 -1.473 10.807 9.364 1.00 0.00 O ATOM 0 H GLY A 53 2.511 10.459 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.302 9.147 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.446 10.095 9.665 1.00 0.00 H new ATOM 801 N ASP A 54 0.049 12.435 9.056 1.00 0.00 N ATOM 802 CA ASP A 54 -0.895 13.517 9.309 1.00 0.00 C ATOM 803 C ASP A 54 -2.141 13.364 8.442 1.00 0.00 C ATOM 804 O ASP A 54 -3.265 13.524 8.919 1.00 0.00 O ATOM 805 CB ASP A 54 -0.236 14.871 9.043 1.00 0.00 C ATOM 806 CG ASP A 54 -0.869 15.991 9.845 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.018 15.829 11.074 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.214 17.029 9.243 1.00 0.00 O ATOM 0 H ASP A 54 0.998 12.744 8.844 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.194 13.468 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.825 14.809 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.307 15.104 7.981 1.00 0.00 H new ATOM 813 N ARG A 55 -1.934 13.055 7.166 1.00 0.00 N ATOM 814 CA ARG A 55 -3.041 12.884 6.232 1.00 0.00 C ATOM 815 C ARG A 55 -3.973 11.768 6.694 1.00 0.00 C ATOM 816 O ARG A 55 -5.185 11.833 6.487 1.00 0.00 O ATOM 817 CB ARG A 55 -2.510 12.573 4.832 1.00 0.00 C ATOM 818 CG ARG A 55 -1.939 13.785 4.114 1.00 0.00 C ATOM 819 CD ARG A 55 -2.871 14.271 3.015 1.00 0.00 C ATOM 820 NE ARG A 55 -2.491 15.591 2.519 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.650 16.712 3.215 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.180 16.672 4.429 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.280 17.875 2.695 1.00 0.00 N ATOM 0 H ARG A 55 -1.010 12.918 6.755 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.606 13.816 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.737 11.808 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.317 12.152 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.770 14.588 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.969 13.532 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.862 13.558 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.892 14.307 3.395 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.081 15.656 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.467 15.780 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.301 17.534 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.873 17.909 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.402 18.735 3.230 1.00 0.00 H new ATOM 837 N TRP A 56 -3.400 10.746 7.319 1.00 0.00 N ATOM 838 CA TRP A 56 -4.181 9.615 7.809 1.00 0.00 C ATOM 839 C TRP A 56 -5.038 10.022 9.002 1.00 0.00 C ATOM 840 O TRP A 56 -6.068 9.407 9.278 1.00 0.00 O ATOM 841 CB TRP A 56 -3.255 8.462 8.200 1.00 0.00 C ATOM 842 CG TRP A 56 -3.983 7.289 8.784 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.247 7.063 10.105 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.537 6.180 8.067 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.932 5.881 10.251 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.123 5.321 9.016 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.597 5.832 6.715 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.759 4.136 8.655 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.228 4.655 6.358 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.803 3.819 7.324 1.00 0.00 C ATOM 0 H TRP A 56 -2.398 10.677 7.499 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.841 9.286 7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.701 8.136 7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.522 8.822 8.922 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.960 7.717 10.915 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.247 5.485 11.136 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.158 6.471 5.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.202 3.490 9.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.279 4.375 5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.290 2.907 7.013 1.00 0.00 H new ATOM 861 N LYS A 57 -4.608 11.063 9.707 1.00 0.00 N ATOM 862 CA LYS A 57 -5.337 11.554 10.871 1.00 0.00 C ATOM 863 C LYS A 57 -6.365 12.605 10.465 1.00 0.00 C ATOM 864 O LYS A 57 -7.416 12.735 11.092 1.00 0.00 O ATOM 865 CB LYS A 57 -4.365 12.143 11.895 1.00 0.00 C ATOM 866 CG LYS A 57 -3.317 11.156 12.378 1.00 0.00 C ATOM 867 CD LYS A 57 -2.116 11.867 12.978 1.00 0.00 C ATOM 868 CE LYS A 57 -2.507 12.693 14.194 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.314 13.194 14.931 1.00 0.00 N ATOM 0 H LYS A 57 -3.757 11.584 9.492 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.863 10.712 11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.864 13.005 11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.931 12.508 12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.757 10.492 13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.993 10.532 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.362 11.133 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.663 12.515 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.120 13.537 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.119 12.088 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.623 13.752 15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.742 12.388 15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.743 13.792 14.301 1.00 0.00 H new ATOM 883 N LYS A 58 -6.055 13.353 9.411 1.00 0.00 N ATOM 884 CA LYS A 58 -6.952 14.392 8.919 1.00 0.00 C ATOM 885 C LYS A 58 -8.116 13.782 8.144 1.00 0.00 C ATOM 886 O LYS A 58 -9.193 14.372 8.058 1.00 0.00 O ATOM 887 CB LYS A 58 -6.189 15.373 8.027 1.00 0.00 C ATOM 888 CG LYS A 58 -5.957 16.728 8.673 1.00 0.00 C ATOM 889 CD LYS A 58 -4.515 16.890 9.126 1.00 0.00 C ATOM 890 CE LYS A 58 -4.304 16.328 10.523 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.287 17.400 11.556 1.00 0.00 N ATOM 0 H LYS A 58 -5.189 13.259 8.881 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.352 14.929 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.226 14.937 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.742 15.513 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.208 17.518 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.623 16.843 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.853 16.382 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.245 17.946 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.097 15.616 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.363 15.778 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.141 16.976 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.514 18.066 11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.194 17.909 11.544 1.00 0.00 H new ATOM 905 N MET A 59 -7.892 12.599 7.583 1.00 0.00 N ATOM 906 CA MET A 59 -8.924 11.909 6.817 1.00 0.00 C ATOM 907 C MET A 59 -10.125 11.578 7.698 1.00 0.00 C ATOM 908 O MET A 59 -10.135 11.880 8.891 1.00 0.00 O ATOM 909 CB MET A 59 -8.361 10.627 6.200 1.00 0.00 C ATOM 910 CG MET A 59 -7.795 10.823 4.803 1.00 0.00 C ATOM 911 SD MET A 59 -7.495 9.263 3.951 1.00 0.00 S ATOM 912 CE MET A 59 -6.432 8.432 5.129 1.00 0.00 C ATOM 0 H MET A 59 -7.006 12.098 7.644 1.00 0.00 H new ATOM 0 HA MET A 59 -9.253 12.574 6.018 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.578 10.235 6.849 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.149 9.875 6.162 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.488 11.426 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.862 11.382 4.868 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.318 7.387 4.842 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.454 8.914 5.140 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.876 8.489 6.123 1.00 0.00 H new ATOM 922 N LYS A 60 -11.137 10.957 7.102 1.00 0.00 N ATOM 923 CA LYS A 60 -12.343 10.584 7.831 1.00 0.00 C ATOM 924 C LYS A 60 -12.354 9.090 8.137 1.00 0.00 C ATOM 925 O LYS A 60 -11.356 8.398 7.935 1.00 0.00 O ATOM 926 CB LYS A 60 -13.588 10.959 7.025 1.00 0.00 C ATOM 927 CG LYS A 60 -13.530 12.355 6.429 1.00 0.00 C ATOM 928 CD LYS A 60 -14.920 12.912 6.176 1.00 0.00 C ATOM 929 CE LYS A 60 -15.498 12.393 4.868 1.00 0.00 C ATOM 930 NZ LYS A 60 -15.935 10.974 4.978 1.00 0.00 N ATOM 0 H LYS A 60 -11.146 10.701 6.115 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.350 11.130 8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.721 10.235 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.464 10.884 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.989 13.018 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.972 12.329 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.579 12.638 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.878 14.001 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.346 13.012 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.750 12.482 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.802 10.834 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.186 10.351 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.123 10.745 5.975 1.00 0.00 H new ATOM 944 N ASN A 61 -13.488 8.598 8.625 1.00 0.00 N ATOM 945 CA ASN A 61 -13.628 7.185 8.958 1.00 0.00 C ATOM 946 C ASN A 61 -13.700 6.333 7.694 1.00 0.00 C ATOM 947 O ASN A 61 -13.012 5.320 7.578 1.00 0.00 O ATOM 948 CB ASN A 61 -14.880 6.962 9.809 1.00 0.00 C ATOM 949 CG ASN A 61 -16.112 7.610 9.207 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.224 8.835 9.163 1.00 0.00 O ATOM 951 ND2 ASN A 61 -17.043 6.788 8.739 1.00 0.00 N ATOM 0 H ASN A 61 -14.323 9.157 8.799 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.750 6.883 9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.054 5.892 9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.713 7.364 10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.894 7.166 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.908 5.779 8.796 1.00 0.00 H new ATOM 958 N GLU A 62 -14.538 6.753 6.751 1.00 0.00 N ATOM 959 CA GLU A 62 -14.700 6.028 5.497 1.00 0.00 C ATOM 960 C GLU A 62 -13.450 6.153 4.631 1.00 0.00 C ATOM 961 O GLU A 62 -13.066 5.211 3.939 1.00 0.00 O ATOM 962 CB GLU A 62 -15.918 6.551 4.733 1.00 0.00 C ATOM 963 CG GLU A 62 -16.217 5.778 3.459 1.00 0.00 C ATOM 964 CD GLU A 62 -17.673 5.873 3.047 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.089 6.957 2.586 1.00 0.00 O ATOM 966 OE2 GLU A 62 -18.396 4.865 3.185 1.00 0.00 O ATOM 0 H GLU A 62 -15.114 7.591 6.832 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.853 4.975 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.790 6.510 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.756 7.599 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.590 6.158 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.952 4.731 3.603 1.00 0.00 H new ATOM 973 N GLU A 63 -12.822 7.324 4.675 1.00 0.00 N ATOM 974 CA GLU A 63 -11.616 7.573 3.893 1.00 0.00 C ATOM 975 C GLU A 63 -10.527 6.560 4.236 1.00 0.00 C ATOM 976 O GLU A 63 -9.654 6.272 3.417 1.00 0.00 O ATOM 977 CB GLU A 63 -11.104 8.993 4.143 1.00 0.00 C ATOM 978 CG GLU A 63 -12.146 10.069 3.887 1.00 0.00 C ATOM 979 CD GLU A 63 -12.426 10.272 2.411 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.729 11.097 1.783 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.341 9.606 1.884 1.00 0.00 O ATOM 0 H GLU A 63 -13.128 8.114 5.243 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.869 7.466 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.760 9.070 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.240 9.176 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.072 9.800 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.806 11.009 4.321 1.00 0.00 H new ATOM 988 N ARG A 64 -10.586 6.025 5.451 1.00 0.00 N ATOM 989 CA ARG A 64 -9.604 5.046 5.903 1.00 0.00 C ATOM 990 C ARG A 64 -10.155 3.629 5.784 1.00 0.00 C ATOM 991 O ARG A 64 -9.399 2.667 5.653 1.00 0.00 O ATOM 992 CB ARG A 64 -9.200 5.329 7.351 1.00 0.00 C ATOM 993 CG ARG A 64 -8.444 6.635 7.528 1.00 0.00 C ATOM 994 CD ARG A 64 -8.181 6.932 8.996 1.00 0.00 C ATOM 995 NE ARG A 64 -9.205 7.802 9.570 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.072 8.423 10.737 1.00 0.00 C ATOM 997 NH1 ARG A 64 -7.965 8.271 11.450 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.048 9.198 11.192 1.00 0.00 N ATOM 0 H ARG A 64 -11.303 6.253 6.140 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.724 5.129 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.096 5.351 7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.581 4.509 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.497 6.584 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.017 7.451 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.145 5.997 9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.204 7.404 9.101 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.069 7.940 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.213 7.676 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.866 8.749 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.901 9.317 10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.945 9.674 12.088 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.478 3.508 5.833 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.131 2.208 5.733 1.00 0.00 C ATOM 1014 C ARG A 65 -11.641 1.446 4.505 1.00 0.00 C ATOM 1015 O ARG A 65 -11.453 0.231 4.550 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.649 2.380 5.667 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.421 1.147 6.110 1.00 0.00 C ATOM 1018 CD ARG A 65 -15.923 1.359 5.994 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.676 0.366 6.756 1.00 0.00 N ATOM 1020 CZ ARG A 65 -17.987 0.432 6.955 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.688 1.439 6.450 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.601 -0.510 7.659 1.00 0.00 N ATOM 0 H ARG A 65 -12.118 4.294 5.941 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.876 1.632 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.938 3.224 6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.934 2.629 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.125 0.293 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.165 0.907 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.177 2.358 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.216 1.310 4.945 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.167 -0.421 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.220 2.165 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.695 1.487 6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.066 -1.286 8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.608 -0.458 7.811 1.00 0.00 H new ATOM 1036 N MET A 66 -11.436 2.170 3.409 1.00 0.00 N ATOM 1037 CA MET A 66 -10.967 1.562 2.169 1.00 0.00 C ATOM 1038 C MET A 66 -9.715 0.727 2.412 1.00 0.00 C ATOM 1039 O MET A 66 -9.497 -0.290 1.752 1.00 0.00 O ATOM 1040 CB MET A 66 -10.679 2.642 1.124 1.00 0.00 C ATOM 1041 CG MET A 66 -9.654 3.668 1.578 1.00 0.00 C ATOM 1042 SD MET A 66 -9.630 5.136 0.531 1.00 0.00 S ATOM 1043 CE MET A 66 -11.261 5.804 0.847 1.00 0.00 C ATOM 0 H MET A 66 -11.587 3.177 3.354 1.00 0.00 H new ATOM 0 HA MET A 66 -11.753 0.905 1.796 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.324 2.166 0.210 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.609 3.154 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.871 3.962 2.605 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.664 3.211 1.579 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.221 6.893 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.955 5.444 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.602 5.482 1.831 1.00 0.00 H new ATOM 1053 N TYR A 67 -8.895 1.161 3.363 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.663 0.454 3.691 1.00 0.00 C ATOM 1055 C TYR A 67 -7.874 -0.489 4.872 1.00 0.00 C ATOM 1056 O TYR A 67 -7.239 -1.540 4.965 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.549 1.450 4.014 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.458 2.596 3.031 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -5.908 2.413 1.768 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -6.924 3.862 3.365 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.823 3.457 0.868 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.844 4.912 2.470 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.292 4.704 1.223 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.210 5.746 0.329 1.00 0.00 O ATOM 0 H TYR A 67 -9.061 1.999 3.920 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.372 -0.138 2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.711 1.852 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.595 0.922 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.541 1.437 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.356 4.028 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.391 3.297 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.211 5.890 2.745 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.112 6.013 0.054 1.00 0.00 H new ATOM 1074 N THR A 68 -8.773 -0.106 5.774 1.00 0.00 N ATOM 1075 CA THR A 68 -9.069 -0.916 6.949 1.00 0.00 C ATOM 1076 C THR A 68 -9.561 -2.303 6.552 1.00 0.00 C ATOM 1077 O THR A 68 -8.909 -3.309 6.835 1.00 0.00 O ATOM 1078 CB THR A 68 -10.130 -0.243 7.841 1.00 0.00 C ATOM 1079 OG1 THR A 68 -9.967 1.179 7.808 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.022 -0.738 9.276 1.00 0.00 C ATOM 0 H THR A 68 -9.308 0.760 5.713 1.00 0.00 H new ATOM 0 HA THR A 68 -8.139 -1.011 7.510 1.00 0.00 H new ATOM 0 HB THR A 68 -11.116 -0.504 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.646 1.599 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.781 -0.249 9.887 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.175 -1.817 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.033 -0.503 9.669 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.714 -2.350 5.894 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.294 -3.615 5.456 1.00 0.00 C ATOM 1090 C LEU A 69 -10.380 -4.316 4.456 1.00 0.00 C ATOM 1091 O LEU A 69 -10.173 -5.527 4.533 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.669 -3.379 4.829 1.00 0.00 C ATOM 1093 CG LEU A 69 -13.802 -3.050 5.801 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.841 -2.165 5.130 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.444 -4.326 6.325 1.00 0.00 C ATOM 0 H LEU A 69 -11.266 -1.527 5.652 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.406 -4.257 6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.584 -2.563 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.947 -4.270 4.266 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.382 -2.505 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.640 -1.941 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.373 -1.236 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.256 -2.683 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.248 -4.072 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.849 -4.898 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.695 -4.923 6.845 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.834 -3.546 3.520 1.00 0.00 N ATOM 1108 CA GLU A 70 -8.941 -4.094 2.506 1.00 0.00 C ATOM 1109 C GLU A 70 -7.806 -4.885 3.150 1.00 0.00 C ATOM 1110 O GLU A 70 -7.645 -6.078 2.896 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.367 -2.971 1.640 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.355 -3.451 0.613 1.00 0.00 C ATOM 1113 CD GLU A 70 -7.924 -4.505 -0.317 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -7.902 -5.697 0.054 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.390 -4.137 -1.416 1.00 0.00 O ATOM 0 H GLU A 70 -9.994 -2.542 3.443 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.520 -4.770 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.185 -2.467 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.894 -2.231 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.009 -2.601 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.485 -3.858 1.128 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.023 -4.210 3.985 1.00 0.00 N ATOM 1123 CA ALA A 71 -5.904 -4.849 4.667 1.00 0.00 C ATOM 1124 C ALA A 71 -6.383 -5.994 5.554 1.00 0.00 C ATOM 1125 O ALA A 71 -5.672 -6.979 5.752 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.135 -3.827 5.491 1.00 0.00 C ATOM 0 H ALA A 71 -7.143 -3.221 4.205 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.239 -5.264 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.302 -4.318 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.752 -3.045 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.799 -3.385 6.234 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.593 -5.857 6.086 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.168 -6.880 6.952 1.00 0.00 C ATOM 1134 C LYS A 72 -8.345 -8.194 6.198 1.00 0.00 C ATOM 1135 O LYS A 72 -7.791 -9.222 6.585 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.516 -6.411 7.504 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.044 -7.275 8.635 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.398 -6.788 9.124 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.277 -5.472 9.878 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.384 -5.290 10.858 1.00 0.00 N ATOM 0 H LYS A 72 -8.194 -5.048 5.933 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.481 -7.047 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.417 -5.385 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.246 -6.400 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.128 -8.308 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.334 -7.268 9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.069 -6.662 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.844 -7.541 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.321 -5.439 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.281 -4.645 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.265 -4.382 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.295 -5.296 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.365 -6.065 11.551 1.00 0.00 H new