USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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 Single : A 23 ASN : amide:sc= -2.05 K(o=-2.1,f=-6.1!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0598) USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00297) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -15:sc= -0.665 USER MOD Single : A 37 THR OG1 : rot 67:sc= 0.571 USER MOD Single : A 38 GLN : amide:sc= -0.008 X(o=-0.008,f=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -2.28! (180deg=-3.76!) USER MOD Single : A 45 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.51) 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 168:sc= -3.25 (180deg=-3.92!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 66 MET CE :methyl 139:sc= -0.566 (180deg=-5.09!) USER MOD Single : A 67 TYR OH : rot 109:sc= -0.296 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.125 -3.725 7.900 1.00 0.00 N ATOM 288 CA ASN A 23 -2.217 -2.963 8.495 1.00 0.00 C ATOM 289 C ASN A 23 -2.785 -1.958 7.497 1.00 0.00 C ATOM 290 O ASN A 23 -2.248 -1.782 6.404 1.00 0.00 O ATOM 291 CB ASN A 23 -1.733 -2.233 9.750 1.00 0.00 C ATOM 292 CG ASN A 23 -0.357 -1.622 9.569 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.214 -0.553 8.975 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.663 -2.299 10.082 1.00 0.00 N ATOM 0 HA ASN A 23 -3.007 -3.662 8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.445 -1.449 10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.710 -2.931 10.587 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.612 -1.937 9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.497 -3.181 10.566 1.00 0.00 H new ATOM 301 N ALA A 24 -3.876 -1.303 7.882 1.00 0.00 N ATOM 302 CA ALA A 24 -4.516 -0.315 7.023 1.00 0.00 C ATOM 303 C ALA A 24 -3.545 0.800 6.650 1.00 0.00 C ATOM 304 O ALA A 24 -3.501 1.242 5.501 1.00 0.00 O ATOM 305 CB ALA A 24 -5.747 0.262 7.707 1.00 0.00 C ATOM 0 H ALA A 24 -4.334 -1.439 8.783 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.825 -0.815 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.215 0.999 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.456 -0.539 7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.453 0.740 8.641 1.00 0.00 H new ATOM 311 N PHE A 25 -2.767 1.253 7.628 1.00 0.00 N ATOM 312 CA PHE A 25 -1.797 2.318 7.403 1.00 0.00 C ATOM 313 C PHE A 25 -0.828 1.944 6.286 1.00 0.00 C ATOM 314 O PHE A 25 -0.526 2.757 5.413 1.00 0.00 O ATOM 315 CB PHE A 25 -1.022 2.612 8.689 1.00 0.00 C ATOM 316 CG PHE A 25 -0.065 3.762 8.563 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.533 5.053 8.378 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.303 3.553 8.629 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.345 6.114 8.262 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.186 4.610 8.514 1.00 0.00 C ATOM 321 CZ PHE A 25 1.707 5.892 8.329 1.00 0.00 C ATOM 0 H PHE A 25 -2.790 0.899 8.584 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.342 3.213 7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.730 2.825 9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.469 1.720 8.982 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.597 5.232 8.324 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.684 2.553 8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.033 7.116 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.250 4.433 8.569 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.395 6.719 8.237 1.00 0.00 H new ATOM 331 N MET A 26 -0.343 0.707 6.321 1.00 0.00 N ATOM 332 CA MET A 26 0.592 0.224 5.311 1.00 0.00 C ATOM 333 C MET A 26 0.050 0.469 3.907 1.00 0.00 C ATOM 334 O MET A 26 0.762 0.964 3.033 1.00 0.00 O ATOM 335 CB MET A 26 0.867 -1.268 5.512 1.00 0.00 C ATOM 336 CG MET A 26 1.759 -1.566 6.706 1.00 0.00 C ATOM 337 SD MET A 26 2.838 -2.984 6.430 1.00 0.00 S ATOM 338 CE MET A 26 4.426 -2.297 6.893 1.00 0.00 C ATOM 0 H MET A 26 -0.582 0.021 7.037 1.00 0.00 H new ATOM 0 HA MET A 26 1.525 0.776 5.422 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.081 -1.790 5.638 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.334 -1.668 4.612 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.367 -0.689 6.928 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.137 -1.752 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.199 -3.056 6.776 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.654 -1.445 6.253 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.392 -1.971 7.933 1.00 0.00 H new ATOM 348 N LEU A 27 -1.214 0.118 3.696 1.00 0.00 N ATOM 349 CA LEU A 27 -1.852 0.299 2.397 1.00 0.00 C ATOM 350 C LEU A 27 -1.937 1.778 2.034 1.00 0.00 C ATOM 351 O LEU A 27 -1.934 2.141 0.857 1.00 0.00 O ATOM 352 CB LEU A 27 -3.252 -0.317 2.403 1.00 0.00 C ATOM 353 CG LEU A 27 -3.710 -0.956 1.092 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.770 -2.080 0.688 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.137 -1.470 1.219 1.00 0.00 C ATOM 0 H LEU A 27 -1.817 -0.294 4.408 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.243 -0.206 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.290 -1.074 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.967 0.459 2.675 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.687 -0.195 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.113 -2.522 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.764 -1.683 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.758 -2.842 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.446 -1.922 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.186 -2.216 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.802 -0.641 1.460 1.00 0.00 H new ATOM 367 N PHE A 28 -2.011 2.629 3.052 1.00 0.00 N ATOM 368 CA PHE A 28 -2.095 4.069 2.840 1.00 0.00 C ATOM 369 C PHE A 28 -0.730 4.646 2.476 1.00 0.00 C ATOM 370 O PHE A 28 -0.552 5.214 1.399 1.00 0.00 O ATOM 371 CB PHE A 28 -2.635 4.760 4.094 1.00 0.00 C ATOM 372 CG PHE A 28 -2.479 6.254 4.070 1.00 0.00 C ATOM 373 CD1 PHE A 28 -3.471 7.059 3.535 1.00 0.00 C ATOM 374 CD2 PHE A 28 -1.340 6.852 4.584 1.00 0.00 C ATOM 375 CE1 PHE A 28 -3.329 8.433 3.511 1.00 0.00 C ATOM 376 CE2 PHE A 28 -1.193 8.226 4.564 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.189 9.018 4.028 1.00 0.00 C ATOM 0 H PHE A 28 -2.014 2.346 4.032 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.779 4.249 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.691 4.515 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.119 4.363 4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.366 6.608 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.558 6.237 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.109 9.049 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.300 8.680 4.967 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.077 10.092 4.013 1.00 0.00 H new ATOM 387 N ALA A 29 0.230 4.497 3.383 1.00 0.00 N ATOM 388 CA ALA A 29 1.579 5.001 3.158 1.00 0.00 C ATOM 389 C ALA A 29 2.164 4.445 1.864 1.00 0.00 C ATOM 390 O ALA A 29 3.040 5.057 1.253 1.00 0.00 O ATOM 391 CB ALA A 29 2.476 4.654 4.337 1.00 0.00 C ATOM 0 H ALA A 29 0.098 4.031 4.281 1.00 0.00 H new ATOM 0 HA ALA A 29 1.524 6.086 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.480 5.037 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.075 5.105 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.516 3.571 4.457 1.00 0.00 H new ATOM 397 N LYS A 30 1.675 3.281 1.451 1.00 0.00 N ATOM 398 CA LYS A 30 2.148 2.641 0.230 1.00 0.00 C ATOM 399 C LYS A 30 1.450 3.224 -0.995 1.00 0.00 C ATOM 400 O LYS A 30 2.102 3.679 -1.936 1.00 0.00 O ATOM 401 CB LYS A 30 1.910 1.131 0.295 1.00 0.00 C ATOM 402 CG LYS A 30 2.488 0.372 -0.887 1.00 0.00 C ATOM 403 CD LYS A 30 1.801 -0.970 -1.079 1.00 0.00 C ATOM 404 CE LYS A 30 2.315 -1.687 -2.317 1.00 0.00 C ATOM 405 NZ LYS A 30 1.852 -1.031 -3.571 1.00 0.00 N ATOM 0 H LYS A 30 0.950 2.761 1.945 1.00 0.00 H new ATOM 0 HA LYS A 30 3.218 2.830 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.347 0.742 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.838 0.943 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.380 0.970 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.556 0.216 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.967 -1.594 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.725 -0.820 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.405 -1.707 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.977 -2.723 -2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.078 -1.639 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.824 -0.881 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.331 -0.114 -3.680 1.00 0.00 H new ATOM 419 N LYS A 31 0.122 3.209 -0.977 1.00 0.00 N ATOM 420 CA LYS A 31 -0.665 3.739 -2.084 1.00 0.00 C ATOM 421 C LYS A 31 -0.364 5.217 -2.308 1.00 0.00 C ATOM 422 O LYS A 31 -0.354 5.694 -3.443 1.00 0.00 O ATOM 423 CB LYS A 31 -2.159 3.547 -1.813 1.00 0.00 C ATOM 424 CG LYS A 31 -3.031 3.748 -3.040 1.00 0.00 C ATOM 425 CD LYS A 31 -4.504 3.572 -2.712 1.00 0.00 C ATOM 426 CE LYS A 31 -5.144 4.888 -2.299 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.439 5.755 -3.473 1.00 0.00 N ATOM 0 H LYS A 31 -0.433 2.835 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.392 3.191 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.323 2.543 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.472 4.246 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.864 4.746 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.742 3.036 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.026 3.169 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.614 2.844 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.067 4.688 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.479 5.416 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.905 6.627 -3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.551 5.995 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.067 5.249 -4.130 1.00 0.00 H new ATOM 441 N TYR A 32 -0.118 5.937 -1.219 1.00 0.00 N ATOM 442 CA TYR A 32 0.182 7.362 -1.296 1.00 0.00 C ATOM 443 C TYR A 32 1.689 7.600 -1.332 1.00 0.00 C ATOM 444 O TYR A 32 2.152 8.736 -1.231 1.00 0.00 O ATOM 445 CB TYR A 32 -0.433 8.100 -0.106 1.00 0.00 C ATOM 446 CG TYR A 32 -1.864 8.531 -0.336 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.780 7.677 -0.938 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.301 9.792 0.051 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.088 8.068 -1.150 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.607 10.191 -0.156 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.497 9.325 -0.758 1.00 0.00 C ATOM 452 OH TYR A 32 -5.799 9.717 -0.966 1.00 0.00 O ATOM 0 H TYR A 32 -0.120 5.557 -0.272 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.252 7.749 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.393 7.454 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.171 8.979 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.464 6.691 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.607 10.472 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.787 7.392 -1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.930 11.175 0.151 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.923 10.630 -0.631 1.00 0.00 H new ATOM 462 N ARG A 33 2.449 6.519 -1.477 1.00 0.00 N ATOM 463 CA ARG A 33 3.903 6.608 -1.526 1.00 0.00 C ATOM 464 C ARG A 33 4.361 7.344 -2.782 1.00 0.00 C ATOM 465 O ARG A 33 4.890 8.453 -2.706 1.00 0.00 O ATOM 466 CB ARG A 33 4.523 5.210 -1.487 1.00 0.00 C ATOM 467 CG ARG A 33 5.974 5.200 -1.035 1.00 0.00 C ATOM 468 CD ARG A 33 6.294 3.957 -0.219 1.00 0.00 C ATOM 469 NE ARG A 33 6.818 2.876 -1.050 1.00 0.00 N ATOM 470 CZ ARG A 33 6.853 1.605 -0.666 1.00 0.00 C ATOM 471 NH1 ARG A 33 6.398 1.257 0.530 1.00 0.00 N ATOM 472 NH2 ARG A 33 7.345 0.679 -1.478 1.00 0.00 N ATOM 0 H ARG A 33 2.081 5.571 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 33 4.237 7.170 -0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.938 4.581 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.457 4.765 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.628 5.243 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.177 6.090 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.023 4.207 0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.393 3.617 0.292 1.00 0.00 H new ATOM 0 HE ARG A 33 7.177 3.110 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.020 1.966 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.426 0.280 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.697 0.943 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.371 -0.297 -1.182 1.00 0.00 H new ATOM 486 N VAL A 34 4.153 6.719 -3.936 1.00 0.00 N ATOM 487 CA VAL A 34 4.543 7.315 -5.209 1.00 0.00 C ATOM 488 C VAL A 34 3.900 8.684 -5.395 1.00 0.00 C ATOM 489 O VAL A 34 4.454 9.554 -6.067 1.00 0.00 O ATOM 490 CB VAL A 34 4.153 6.411 -6.394 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.640 6.332 -6.530 1.00 0.00 C ATOM 492 CG2 VAL A 34 4.786 6.919 -7.681 1.00 0.00 C ATOM 0 H VAL A 34 3.717 5.800 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 34 5.627 7.427 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 34 4.529 5.406 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.383 5.689 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.214 5.920 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.237 7.331 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.500 6.269 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.441 7.933 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.871 6.919 -7.578 1.00 0.00 H new ATOM 502 N GLU A 35 2.729 8.869 -4.794 1.00 0.00 N ATOM 503 CA GLU A 35 2.010 10.134 -4.895 1.00 0.00 C ATOM 504 C GLU A 35 2.806 11.264 -4.247 1.00 0.00 C ATOM 505 O GLU A 35 2.768 12.406 -4.706 1.00 0.00 O ATOM 506 CB GLU A 35 0.635 10.019 -4.233 1.00 0.00 C ATOM 507 CG GLU A 35 -0.118 8.755 -4.611 1.00 0.00 C ATOM 508 CD GLU A 35 -0.109 8.494 -6.105 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.063 9.474 -6.878 1.00 0.00 O ATOM 510 OE2 GLU A 35 -0.147 7.310 -6.500 1.00 0.00 O ATOM 0 H GLU A 35 2.258 8.160 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 35 1.878 10.365 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.759 10.048 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.035 10.886 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.326 7.904 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.149 8.834 -4.266 1.00 0.00 H new ATOM 517 N TYR A 36 3.523 10.937 -3.178 1.00 0.00 N ATOM 518 CA TYR A 36 4.325 11.924 -2.465 1.00 0.00 C ATOM 519 C TYR A 36 5.770 11.909 -2.955 1.00 0.00 C ATOM 520 O TYR A 36 6.477 12.914 -2.872 1.00 0.00 O ATOM 521 CB TYR A 36 4.283 11.654 -0.960 1.00 0.00 C ATOM 522 CG TYR A 36 3.040 12.188 -0.284 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.779 11.730 -0.644 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.128 13.149 0.716 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.641 12.215 -0.029 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.995 13.639 1.337 1.00 0.00 C ATOM 527 CZ TYR A 36 0.754 13.169 0.961 1.00 0.00 C ATOM 528 OH TYR A 36 -0.378 13.653 1.576 1.00 0.00 O ATOM 0 H TYR A 36 3.565 9.996 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 36 3.903 12.909 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.346 10.579 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.161 12.102 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.687 10.982 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.098 13.519 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.332 11.849 -0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.081 14.386 2.112 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.167 13.410 1.047 1.00 0.00 H new ATOM 538 N THR A 37 6.202 10.762 -3.468 1.00 0.00 N ATOM 539 CA THR A 37 7.562 10.614 -3.972 1.00 0.00 C ATOM 540 C THR A 37 7.808 11.527 -5.167 1.00 0.00 C ATOM 541 O THR A 37 8.935 11.956 -5.409 1.00 0.00 O ATOM 542 CB THR A 37 7.853 9.158 -4.384 1.00 0.00 C ATOM 543 OG1 THR A 37 7.399 8.260 -3.366 1.00 0.00 O ATOM 544 CG2 THR A 37 9.341 8.951 -4.623 1.00 0.00 C ATOM 0 H THR A 37 5.630 9.921 -3.546 1.00 0.00 H new ATOM 0 HA THR A 37 8.232 10.895 -3.160 1.00 0.00 H new ATOM 0 HB THR A 37 7.320 8.953 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.421 8.291 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.522 7.916 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.677 9.615 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.891 9.174 -3.709 1.00 0.00 H new ATOM 552 N GLN A 38 6.745 11.821 -5.910 1.00 0.00 N ATOM 553 CA GLN A 38 6.847 12.685 -7.080 1.00 0.00 C ATOM 554 C GLN A 38 6.429 14.112 -6.742 1.00 0.00 C ATOM 555 O GLN A 38 6.867 15.066 -7.384 1.00 0.00 O ATOM 556 CB GLN A 38 5.980 12.143 -8.217 1.00 0.00 C ATOM 557 CG GLN A 38 6.270 10.691 -8.564 1.00 0.00 C ATOM 558 CD GLN A 38 5.388 10.172 -9.683 1.00 0.00 C ATOM 559 OE1 GLN A 38 5.879 9.725 -10.720 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.077 10.228 -9.478 1.00 0.00 N ATOM 0 H GLN A 38 5.804 11.474 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 38 7.889 12.698 -7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.930 12.239 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.133 12.758 -9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.316 10.593 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.127 10.074 -7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.713 10.606 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.434 9.893 -10.195 1.00 0.00 H new ATOM 569 N MET A 39 5.579 14.250 -5.729 1.00 0.00 N ATOM 570 CA MET A 39 5.103 15.562 -5.306 1.00 0.00 C ATOM 571 C MET A 39 6.160 16.282 -4.475 1.00 0.00 C ATOM 572 O MET A 39 6.314 17.500 -4.570 1.00 0.00 O ATOM 573 CB MET A 39 3.811 15.422 -4.498 1.00 0.00 C ATOM 574 CG MET A 39 2.552 15.499 -5.347 1.00 0.00 C ATOM 575 SD MET A 39 1.109 16.028 -4.403 1.00 0.00 S ATOM 576 CE MET A 39 0.508 14.455 -3.794 1.00 0.00 C ATOM 0 H MET A 39 5.206 13.471 -5.187 1.00 0.00 H new ATOM 0 HA MET A 39 4.903 16.154 -6.199 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.825 14.469 -3.969 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.778 16.206 -3.742 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.716 16.193 -6.171 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.355 14.522 -5.787 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.385 14.616 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.264 13.808 -4.636 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.278 13.983 -3.184 1.00 0.00 H new ATOM 586 N TYR A 40 6.885 15.522 -3.661 1.00 0.00 N ATOM 587 CA TYR A 40 7.926 16.089 -2.812 1.00 0.00 C ATOM 588 C TYR A 40 9.271 15.418 -3.077 1.00 0.00 C ATOM 589 O TYR A 40 9.807 14.693 -2.238 1.00 0.00 O ATOM 590 CB TYR A 40 7.549 15.937 -1.337 1.00 0.00 C ATOM 591 CG TYR A 40 6.288 16.679 -0.956 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.038 16.202 -1.332 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.346 17.856 -0.220 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.883 16.876 -0.986 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.196 18.536 0.131 1.00 0.00 C ATOM 596 CZ TYR A 40 3.967 18.042 -0.254 1.00 0.00 C ATOM 597 OH TYR A 40 2.819 18.717 0.093 1.00 0.00 O ATOM 0 H TYR A 40 6.771 14.512 -3.571 1.00 0.00 H new ATOM 0 HA TYR A 40 8.016 17.149 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.420 14.879 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.373 16.297 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.968 15.289 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.307 18.246 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.919 16.492 -1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.259 19.449 0.704 1.00 0.00 H new ATOM 0 HH TYR A 40 3.053 19.517 0.608 1.00 0.00 H new ATOM 607 N PRO A 41 9.829 15.665 -4.271 1.00 0.00 N ATOM 608 CA PRO A 41 11.118 15.095 -4.674 1.00 0.00 C ATOM 609 C PRO A 41 12.285 15.692 -3.895 1.00 0.00 C ATOM 610 O PRO A 41 13.381 15.133 -3.874 1.00 0.00 O ATOM 611 CB PRO A 41 11.220 15.465 -6.156 1.00 0.00 C ATOM 612 CG PRO A 41 10.370 16.679 -6.304 1.00 0.00 C ATOM 613 CD PRO A 41 9.246 16.519 -5.318 1.00 0.00 C ATOM 0 HA PRO A 41 11.168 14.023 -4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.252 15.667 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.865 14.654 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.943 17.584 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.988 16.766 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.922 17.480 -4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.373 16.054 -5.776 1.00 0.00 H new ATOM 621 N GLY A 42 12.042 16.832 -3.255 1.00 0.00 N ATOM 622 CA GLY A 42 13.083 17.486 -2.483 1.00 0.00 C ATOM 623 C GLY A 42 13.141 16.990 -1.052 1.00 0.00 C ATOM 624 O GLY A 42 14.154 17.151 -0.371 1.00 0.00 O ATOM 0 H GLY A 42 11.143 17.314 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.047 17.317 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.911 18.562 -2.485 1.00 0.00 H new ATOM 628 N LYS A 43 12.051 16.385 -0.592 1.00 0.00 N ATOM 629 CA LYS A 43 11.980 15.864 0.768 1.00 0.00 C ATOM 630 C LYS A 43 12.559 14.454 0.841 1.00 0.00 C ATOM 631 O LYS A 43 12.616 13.744 -0.162 1.00 0.00 O ATOM 632 CB LYS A 43 10.530 15.857 1.259 1.00 0.00 C ATOM 633 CG LYS A 43 9.945 17.246 1.445 1.00 0.00 C ATOM 634 CD LYS A 43 8.716 17.218 2.338 1.00 0.00 C ATOM 635 CE LYS A 43 8.258 18.622 2.701 1.00 0.00 C ATOM 636 NZ LYS A 43 7.559 18.656 4.015 1.00 0.00 N ATOM 0 H LYS A 43 11.204 16.243 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 43 12.572 16.515 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.916 15.306 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.478 15.320 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.697 17.903 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.681 17.664 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.908 16.691 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.939 16.660 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.120 19.289 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.591 18.998 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.593 19.621 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.568 18.368 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.027 18.002 4.674 1.00 0.00 H new ATOM 650 N ASP A 44 12.987 14.057 2.034 1.00 0.00 N ATOM 651 CA ASP A 44 13.559 12.731 2.239 1.00 0.00 C ATOM 652 C ASP A 44 12.481 11.729 2.639 1.00 0.00 C ATOM 653 O ASP A 44 11.413 12.110 3.117 1.00 0.00 O ATOM 654 CB ASP A 44 14.648 12.783 3.311 1.00 0.00 C ATOM 655 CG ASP A 44 15.908 13.472 2.825 1.00 0.00 C ATOM 656 OD1 ASP A 44 15.876 14.057 1.721 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.925 13.429 3.548 1.00 0.00 O ATOM 0 H ASP A 44 12.949 14.634 2.874 1.00 0.00 H new ATOM 0 HA ASP A 44 14.001 12.404 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.266 13.307 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.891 11.769 3.627 1.00 0.00 H new ATOM 662 N ASN A 45 12.768 10.447 2.439 1.00 0.00 N ATOM 663 CA ASN A 45 11.822 9.390 2.778 1.00 0.00 C ATOM 664 C ASN A 45 11.338 9.534 4.218 1.00 0.00 C ATOM 665 O ASN A 45 10.172 9.278 4.520 1.00 0.00 O ATOM 666 CB ASN A 45 12.466 8.017 2.579 1.00 0.00 C ATOM 667 CG ASN A 45 13.882 7.959 3.121 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.845 8.219 2.400 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.013 7.616 4.397 1.00 0.00 N ATOM 0 H ASN A 45 13.648 10.115 2.044 1.00 0.00 H new ATOM 0 HA ASN A 45 10.962 9.480 2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.859 7.259 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.476 7.774 1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.941 7.560 4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.186 7.409 4.957 1.00 0.00 H new ATOM 676 N ARG A 46 12.241 9.945 5.101 1.00 0.00 N ATOM 677 CA ARG A 46 11.907 10.123 6.509 1.00 0.00 C ATOM 678 C ARG A 46 10.794 11.153 6.678 1.00 0.00 C ATOM 679 O ARG A 46 9.973 11.050 7.589 1.00 0.00 O ATOM 680 CB ARG A 46 13.144 10.558 7.298 1.00 0.00 C ATOM 681 CG ARG A 46 12.976 10.446 8.804 1.00 0.00 C ATOM 682 CD ARG A 46 13.295 9.043 9.297 1.00 0.00 C ATOM 683 NE ARG A 46 13.496 9.003 10.743 1.00 0.00 N ATOM 684 CZ ARG A 46 13.685 7.880 11.428 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.699 6.712 10.802 1.00 0.00 N ATOM 686 NH2 ARG A 46 13.861 7.926 12.742 1.00 0.00 N ATOM 0 H ARG A 46 13.210 10.161 4.867 1.00 0.00 H new ATOM 0 HA ARG A 46 11.555 9.167 6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.994 9.949 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.382 11.591 7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.630 11.164 9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.953 10.705 9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.482 8.370 9.025 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.192 8.678 8.796 1.00 0.00 H new ATOM 0 HE ARG A 46 13.491 9.885 11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.565 6.673 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.844 5.852 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.851 8.823 13.227 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.006 7.064 13.268 1.00 0.00 H new ATOM 700 N ALA A 47 10.775 12.145 5.795 1.00 0.00 N ATOM 701 CA ALA A 47 9.762 13.193 5.845 1.00 0.00 C ATOM 702 C ALA A 47 8.460 12.730 5.202 1.00 0.00 C ATOM 703 O ALA A 47 7.372 13.023 5.699 1.00 0.00 O ATOM 704 CB ALA A 47 10.272 14.453 5.162 1.00 0.00 C ATOM 0 H ALA A 47 11.449 12.246 5.036 1.00 0.00 H new ATOM 0 HA ALA A 47 9.559 13.418 6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.506 15.227 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.171 14.803 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.505 14.233 4.120 1.00 0.00 H new ATOM 710 N ILE A 48 8.578 12.006 4.094 1.00 0.00 N ATOM 711 CA ILE A 48 7.409 11.502 3.383 1.00 0.00 C ATOM 712 C ILE A 48 6.473 10.754 4.326 1.00 0.00 C ATOM 713 O ILE A 48 5.253 10.895 4.246 1.00 0.00 O ATOM 714 CB ILE A 48 7.813 10.566 2.229 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.728 11.298 1.245 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.575 10.039 1.517 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.079 12.502 0.599 1.00 0.00 C ATOM 0 H ILE A 48 9.471 11.755 3.669 1.00 0.00 H new ATOM 0 HA ILE A 48 6.891 12.369 2.972 1.00 0.00 H new ATOM 0 HB ILE A 48 8.360 9.719 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.629 11.618 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.041 10.603 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.876 9.379 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.957 9.485 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.004 10.875 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.785 12.972 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.194 12.186 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.790 13.217 1.369 1.00 0.00 H new ATOM 729 N SER A 49 7.053 9.959 5.220 1.00 0.00 N ATOM 730 CA SER A 49 6.270 9.187 6.177 1.00 0.00 C ATOM 731 C SER A 49 5.594 10.104 7.192 1.00 0.00 C ATOM 732 O SER A 49 4.388 10.016 7.419 1.00 0.00 O ATOM 733 CB SER A 49 7.163 8.177 6.901 1.00 0.00 C ATOM 734 OG SER A 49 6.525 7.670 8.060 1.00 0.00 O ATOM 0 H SER A 49 8.062 9.833 5.301 1.00 0.00 H new ATOM 0 HA SER A 49 5.497 8.650 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.407 7.355 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.104 8.652 7.179 1.00 0.00 H new ATOM 0 HG SER A 49 7.116 7.026 8.503 1.00 0.00 H new ATOM 740 N VAL A 50 6.382 10.984 7.801 1.00 0.00 N ATOM 741 CA VAL A 50 5.862 11.919 8.791 1.00 0.00 C ATOM 742 C VAL A 50 4.660 12.684 8.247 1.00 0.00 C ATOM 743 O VAL A 50 3.677 12.901 8.956 1.00 0.00 O ATOM 744 CB VAL A 50 6.940 12.927 9.233 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.370 13.909 10.245 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.146 12.199 9.806 1.00 0.00 C ATOM 0 H VAL A 50 7.383 11.069 7.626 1.00 0.00 H new ATOM 0 HA VAL A 50 5.553 11.327 9.653 1.00 0.00 H new ATOM 0 HB VAL A 50 7.266 13.491 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.146 14.613 10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.540 14.454 9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.015 13.365 11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.898 12.926 10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.838 11.608 10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.568 11.540 9.047 1.00 0.00 H new ATOM 756 N ILE A 51 4.746 13.089 6.985 1.00 0.00 N ATOM 757 CA ILE A 51 3.665 13.828 6.345 1.00 0.00 C ATOM 758 C ILE A 51 2.484 12.914 6.033 1.00 0.00 C ATOM 759 O ILE A 51 1.327 13.332 6.099 1.00 0.00 O ATOM 760 CB ILE A 51 4.137 14.501 5.042 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.310 15.442 5.325 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.989 15.258 4.391 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.032 15.898 4.077 1.00 0.00 C ATOM 0 H ILE A 51 5.553 12.918 6.385 1.00 0.00 H new ATOM 0 HA ILE A 51 3.350 14.598 7.049 1.00 0.00 H new ATOM 0 HB ILE A 51 4.474 13.727 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.943 16.316 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.019 14.938 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.338 15.728 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.181 14.564 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.625 16.025 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.851 16.562 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.429 15.031 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.336 16.430 3.428 1.00 0.00 H new ATOM 775 N LEU A 52 2.783 11.665 5.693 1.00 0.00 N ATOM 776 CA LEU A 52 1.747 10.690 5.373 1.00 0.00 C ATOM 777 C LEU A 52 0.868 10.410 6.588 1.00 0.00 C ATOM 778 O LEU A 52 -0.358 10.402 6.491 1.00 0.00 O ATOM 779 CB LEU A 52 2.379 9.389 4.875 1.00 0.00 C ATOM 780 CG LEU A 52 2.708 9.331 3.383 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.403 8.022 3.040 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.445 9.500 2.551 1.00 0.00 C ATOM 0 H LEU A 52 3.735 11.304 5.632 1.00 0.00 H new ATOM 0 HA LEU A 52 1.121 11.108 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.297 9.217 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.703 8.567 5.110 1.00 0.00 H new ATOM 0 HG LEU A 52 3.386 10.151 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.629 7.999 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.329 7.942 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.749 7.186 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.698 9.456 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.743 8.701 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.988 10.464 2.775 1.00 0.00 H new ATOM 794 N GLY A 53 1.505 10.182 7.732 1.00 0.00 N ATOM 795 CA GLY A 53 0.766 9.907 8.950 1.00 0.00 C ATOM 796 C GLY A 53 -0.278 10.965 9.247 1.00 0.00 C ATOM 797 O GLY A 53 -1.439 10.647 9.505 1.00 0.00 O ATOM 0 H GLY A 53 2.520 10.183 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.280 8.935 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.462 9.843 9.787 1.00 0.00 H new ATOM 801 N ASP A 54 0.136 12.227 9.213 1.00 0.00 N ATOM 802 CA ASP A 54 -0.771 13.337 9.482 1.00 0.00 C ATOM 803 C ASP A 54 -2.023 13.237 8.615 1.00 0.00 C ATOM 804 O ASP A 54 -3.136 13.469 9.087 1.00 0.00 O ATOM 805 CB ASP A 54 -0.068 14.672 9.230 1.00 0.00 C ATOM 806 CG ASP A 54 -0.660 15.802 10.049 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.688 15.572 10.719 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.096 16.916 10.018 1.00 0.00 O ATOM 0 H ASP A 54 1.094 12.507 9.002 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.069 13.284 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.991 14.572 9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.136 14.921 8.171 1.00 0.00 H new ATOM 813 N ARG A 55 -1.832 12.891 7.347 1.00 0.00 N ATOM 814 CA ARG A 55 -2.946 12.762 6.414 1.00 0.00 C ATOM 815 C ARG A 55 -3.900 11.657 6.856 1.00 0.00 C ATOM 816 O ARG A 55 -5.113 11.759 6.669 1.00 0.00 O ATOM 817 CB ARG A 55 -2.427 12.470 5.005 1.00 0.00 C ATOM 818 CG ARG A 55 -1.880 13.695 4.291 1.00 0.00 C ATOM 819 CD ARG A 55 -2.867 14.229 3.264 1.00 0.00 C ATOM 820 NE ARG A 55 -2.527 15.581 2.831 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.642 16.653 3.608 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.085 16.529 4.851 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.314 17.851 3.141 1.00 0.00 N ATOM 0 H ARG A 55 -0.917 12.695 6.941 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.491 13.706 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.643 11.715 5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.235 12.044 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.656 14.473 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.942 13.441 3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.886 13.565 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.870 14.226 3.690 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.182 15.710 1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.338 15.610 5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.173 17.353 5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.973 17.950 2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.403 18.673 3.738 1.00 0.00 H new ATOM 837 N TRP A 56 -3.345 10.602 7.442 1.00 0.00 N ATOM 838 CA TRP A 56 -4.147 9.478 7.909 1.00 0.00 C ATOM 839 C TRP A 56 -4.964 9.865 9.137 1.00 0.00 C ATOM 840 O TRP A 56 -6.033 9.307 9.385 1.00 0.00 O ATOM 841 CB TRP A 56 -3.248 8.284 8.236 1.00 0.00 C ATOM 842 CG TRP A 56 -3.993 7.119 8.814 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.236 6.876 10.136 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.590 6.039 8.089 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.949 5.709 10.276 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.179 5.177 9.035 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.686 5.717 6.733 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.852 4.016 8.666 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.354 4.563 6.368 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.931 3.725 7.331 1.00 0.00 C ATOM 0 H TRP A 56 -2.343 10.502 7.605 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.835 9.199 7.111 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.736 7.964 7.328 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.479 8.600 8.941 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.915 7.508 10.951 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.257 5.305 11.161 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.246 6.358 5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.296 3.368 9.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.432 4.303 5.323 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.448 2.832 7.014 1.00 0.00 H new ATOM 861 N LYS A 57 -4.456 10.825 9.902 1.00 0.00 N ATOM 862 CA LYS A 57 -5.140 11.289 11.103 1.00 0.00 C ATOM 863 C LYS A 57 -6.148 12.384 10.767 1.00 0.00 C ATOM 864 O LYS A 57 -7.137 12.571 11.477 1.00 0.00 O ATOM 865 CB LYS A 57 -4.125 11.812 12.123 1.00 0.00 C ATOM 866 CG LYS A 57 -3.076 10.786 12.517 1.00 0.00 C ATOM 867 CD LYS A 57 -1.821 11.452 13.057 1.00 0.00 C ATOM 868 CE LYS A 57 -2.057 12.049 14.436 1.00 0.00 C ATOM 869 NZ LYS A 57 -2.020 11.010 15.503 1.00 0.00 N ATOM 0 H LYS A 57 -3.572 11.297 9.711 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.677 10.444 11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.627 12.689 11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.656 12.138 13.017 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.487 10.115 13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.821 10.174 11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.014 10.722 13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.499 12.235 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.299 12.805 14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.023 12.553 14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.185 11.456 16.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.760 10.302 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.089 10.546 15.504 1.00 0.00 H new ATOM 883 N LYS A 58 -5.892 13.104 9.680 1.00 0.00 N ATOM 884 CA LYS A 58 -6.778 14.178 9.248 1.00 0.00 C ATOM 885 C LYS A 58 -7.970 13.622 8.474 1.00 0.00 C ATOM 886 O LYS A 58 -9.061 14.191 8.504 1.00 0.00 O ATOM 887 CB LYS A 58 -6.014 15.178 8.378 1.00 0.00 C ATOM 888 CG LYS A 58 -5.874 16.552 9.010 1.00 0.00 C ATOM 889 CD LYS A 58 -4.938 17.442 8.211 1.00 0.00 C ATOM 890 CE LYS A 58 -4.279 18.493 9.092 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.184 19.647 9.349 1.00 0.00 N ATOM 0 H LYS A 58 -5.078 12.963 9.082 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.150 14.688 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.021 14.781 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.525 15.278 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.855 17.023 9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.498 16.448 10.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.170 16.831 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.494 17.932 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.988 18.041 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.366 18.847 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.699 20.341 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.442 20.094 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.045 19.313 9.828 1.00 0.00 H new ATOM 905 N MET A 59 -7.753 12.507 7.783 1.00 0.00 N ATOM 906 CA MET A 59 -8.811 11.874 7.004 1.00 0.00 C ATOM 907 C MET A 59 -10.010 11.541 7.886 1.00 0.00 C ATOM 908 O MET A 59 -9.965 11.711 9.104 1.00 0.00 O ATOM 909 CB MET A 59 -8.288 10.602 6.334 1.00 0.00 C ATOM 910 CG MET A 59 -7.692 10.843 4.956 1.00 0.00 C ATOM 911 SD MET A 59 -7.423 9.314 4.039 1.00 0.00 S ATOM 912 CE MET A 59 -6.408 8.399 5.197 1.00 0.00 C ATOM 0 H MET A 59 -6.855 12.024 7.747 1.00 0.00 H new ATOM 0 HA MET A 59 -9.132 12.576 6.235 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.531 10.149 6.974 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.104 9.885 6.248 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.356 11.492 4.386 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.744 11.370 5.062 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.334 7.360 4.875 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.411 8.839 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.860 8.440 6.188 1.00 0.00 H new ATOM 922 N LYS A 60 -11.083 11.067 7.262 1.00 0.00 N ATOM 923 CA LYS A 60 -12.296 10.709 7.989 1.00 0.00 C ATOM 924 C LYS A 60 -12.334 9.212 8.280 1.00 0.00 C ATOM 925 O LYS A 60 -11.364 8.498 8.033 1.00 0.00 O ATOM 926 CB LYS A 60 -13.534 11.116 7.188 1.00 0.00 C ATOM 927 CG LYS A 60 -13.568 12.591 6.828 1.00 0.00 C ATOM 928 CD LYS A 60 -14.344 13.398 7.855 1.00 0.00 C ATOM 929 CE LYS A 60 -13.423 13.989 8.911 1.00 0.00 C ATOM 930 NZ LYS A 60 -12.904 15.326 8.509 1.00 0.00 N ATOM 0 H LYS A 60 -11.138 10.922 6.254 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.293 11.245 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.574 10.526 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.426 10.871 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.549 12.973 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.024 12.716 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.887 14.200 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.087 12.761 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.962 14.077 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.587 13.312 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.280 15.695 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.368 15.238 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.701 15.980 8.369 1.00 0.00 H new ATOM 944 N ASN A 61 -13.462 8.745 8.804 1.00 0.00 N ATOM 945 CA ASN A 61 -13.627 7.332 9.127 1.00 0.00 C ATOM 946 C ASN A 61 -13.859 6.509 7.864 1.00 0.00 C ATOM 947 O ASN A 61 -13.510 5.330 7.808 1.00 0.00 O ATOM 948 CB ASN A 61 -14.797 7.142 10.095 1.00 0.00 C ATOM 949 CG ASN A 61 -14.508 7.710 11.471 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.278 8.910 11.623 1.00 0.00 O ATOM 951 ND2 ASN A 61 -14.517 6.848 12.481 1.00 0.00 N ATOM 0 H ASN A 61 -14.275 9.324 9.014 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.710 6.984 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.685 7.623 9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.022 6.079 10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.328 7.172 13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.713 5.862 12.308 1.00 0.00 H new ATOM 958 N GLU A 62 -14.448 7.139 6.853 1.00 0.00 N ATOM 959 CA GLU A 62 -14.726 6.464 5.590 1.00 0.00 C ATOM 960 C GLU A 62 -13.506 6.501 4.674 1.00 0.00 C ATOM 961 O GLU A 62 -13.199 5.523 3.994 1.00 0.00 O ATOM 962 CB GLU A 62 -15.923 7.113 4.892 1.00 0.00 C ATOM 963 CG GLU A 62 -17.093 7.390 5.821 1.00 0.00 C ATOM 964 CD GLU A 62 -17.726 6.120 6.355 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.474 5.466 5.599 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.473 5.781 7.530 1.00 0.00 O ATOM 0 H GLU A 62 -14.742 8.115 6.883 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.963 5.423 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.603 8.050 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.258 6.463 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.752 8.001 6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.846 7.971 5.288 1.00 0.00 H new ATOM 973 N GLU A 63 -12.817 7.638 4.662 1.00 0.00 N ATOM 974 CA GLU A 63 -11.632 7.802 3.828 1.00 0.00 C ATOM 975 C GLU A 63 -10.591 6.732 4.144 1.00 0.00 C ATOM 976 O GLU A 63 -9.753 6.400 3.305 1.00 0.00 O ATOM 977 CB GLU A 63 -11.028 9.193 4.031 1.00 0.00 C ATOM 978 CG GLU A 63 -11.994 10.327 3.732 1.00 0.00 C ATOM 979 CD GLU A 63 -12.333 10.431 2.257 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.518 10.998 1.500 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.413 9.945 1.861 1.00 0.00 O ATOM 0 H GLU A 63 -13.058 8.458 5.219 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.934 7.693 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.683 9.283 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.151 9.296 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.911 10.178 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.559 11.268 4.068 1.00 0.00 H new ATOM 988 N ARG A 64 -10.650 6.198 5.359 1.00 0.00 N ATOM 989 CA ARG A 64 -9.713 5.167 5.787 1.00 0.00 C ATOM 990 C ARG A 64 -10.317 3.777 5.616 1.00 0.00 C ATOM 991 O ARG A 64 -9.597 2.789 5.474 1.00 0.00 O ATOM 992 CB ARG A 64 -9.314 5.385 7.248 1.00 0.00 C ATOM 993 CG ARG A 64 -8.496 6.646 7.474 1.00 0.00 C ATOM 994 CD ARG A 64 -8.206 6.865 8.951 1.00 0.00 C ATOM 995 NE ARG A 64 -9.231 7.683 9.594 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.093 8.219 10.802 1.00 0.00 C ATOM 997 NH1 ARG A 64 -7.979 8.024 11.493 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.071 8.952 11.319 1.00 0.00 N ATOM 0 H ARG A 64 -11.337 6.462 6.065 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.824 5.237 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.216 5.432 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.741 4.524 7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.557 6.575 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.034 7.506 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.143 5.901 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.235 7.347 9.062 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.100 7.852 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.225 7.462 11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.875 8.436 12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.929 9.104 10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.965 9.363 12.246 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.644 3.708 5.632 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.346 2.439 5.480 1.00 0.00 C ATOM 1014 C ARG A 65 -11.857 1.692 4.243 1.00 0.00 C ATOM 1015 O ARG A 65 -11.714 0.470 4.261 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.855 2.675 5.384 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.682 1.626 6.109 1.00 0.00 C ATOM 1018 CD ARG A 65 -14.733 1.893 7.605 1.00 0.00 C ATOM 1019 NE ARG A 65 -14.879 0.661 8.376 1.00 0.00 N ATOM 1020 CZ ARG A 65 -14.964 0.630 9.702 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -14.917 1.757 10.399 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -15.096 -0.530 10.332 1.00 0.00 N ATOM 0 H ARG A 65 -12.255 4.516 5.749 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.136 1.829 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.088 3.657 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.146 2.692 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.694 1.616 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.258 0.638 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.823 2.407 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.566 2.560 7.826 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.918 -0.223 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.815 2.651 9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.982 1.730 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.132 -1.399 9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.161 -0.553 11.350 1.00 0.00 H new ATOM 1036 N MET A 66 -11.602 2.435 3.172 1.00 0.00 N ATOM 1037 CA MET A 66 -11.128 1.843 1.926 1.00 0.00 C ATOM 1038 C MET A 66 -9.914 0.952 2.175 1.00 0.00 C ATOM 1039 O MET A 66 -9.718 -0.051 1.489 1.00 0.00 O ATOM 1040 CB MET A 66 -10.774 2.937 0.918 1.00 0.00 C ATOM 1041 CG MET A 66 -9.718 3.908 1.421 1.00 0.00 C ATOM 1042 SD MET A 66 -9.576 5.378 0.386 1.00 0.00 S ATOM 1043 CE MET A 66 -11.165 6.152 0.678 1.00 0.00 C ATOM 0 H MET A 66 -11.715 3.448 3.141 1.00 0.00 H new ATOM 0 HA MET A 66 -11.930 1.229 1.517 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.419 2.471 -0.002 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.677 3.493 0.666 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.962 4.208 2.440 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.754 3.402 1.460 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.032 7.229 0.779 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.830 5.946 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.602 5.753 1.593 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.104 1.326 3.159 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.909 0.563 3.496 1.00 0.00 C ATOM 1055 C TYR A 67 -8.184 -0.403 4.645 1.00 0.00 C ATOM 1056 O TYR A 67 -7.607 -1.489 4.712 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.765 1.506 3.871 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.608 2.674 2.925 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.043 2.503 1.666 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.023 3.950 3.288 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.897 3.568 0.798 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.882 5.019 2.426 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.319 4.824 1.182 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.175 5.887 0.321 1.00 0.00 O ATOM 0 H TYR A 67 -9.253 2.153 3.737 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.621 -0.017 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.934 1.886 4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.833 0.941 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.713 1.521 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.463 4.108 4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.455 3.418 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.211 6.003 2.724 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.055 6.157 -0.015 1.00 0.00 H new ATOM 1074 N THR A 68 -9.072 0.001 5.548 1.00 0.00 N ATOM 1075 CA THR A 68 -9.426 -0.826 6.695 1.00 0.00 C ATOM 1076 C THR A 68 -9.920 -2.198 6.252 1.00 0.00 C ATOM 1077 O THR A 68 -9.299 -3.219 6.548 1.00 0.00 O ATOM 1078 CB THR A 68 -10.511 -0.156 7.558 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.297 1.260 7.602 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.504 -0.719 8.971 1.00 0.00 C ATOM 0 H THR A 68 -9.559 0.896 5.507 1.00 0.00 H new ATOM 0 HA THR A 68 -8.521 -0.944 7.291 1.00 0.00 H new ATOM 0 HB THR A 68 -11.481 -0.363 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.992 1.679 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.279 -0.230 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.696 -1.791 8.936 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.531 -0.540 9.429 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.042 -2.216 5.540 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.620 -3.464 5.055 1.00 0.00 C ATOM 1090 C LEU A 69 -10.642 -4.200 4.145 1.00 0.00 C ATOM 1091 O LEU A 69 -10.477 -5.415 4.249 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.924 -3.186 4.303 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.112 -2.749 5.159 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.005 -1.792 4.384 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.906 -3.960 5.629 1.00 0.00 C ATOM 0 H LEU A 69 -11.569 -1.380 5.286 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.832 -4.097 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.733 -2.412 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.206 -4.088 3.759 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.730 -2.227 6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.846 -1.492 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.432 -0.910 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.378 -2.288 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.748 -3.629 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.277 -4.510 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.262 -4.609 6.223 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.995 -3.455 3.254 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.031 -4.038 2.328 1.00 0.00 C ATOM 1109 C GLU A 70 -7.948 -4.804 3.080 1.00 0.00 C ATOM 1110 O GLU A 70 -7.803 -6.015 2.917 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.394 -2.945 1.466 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.692 -3.479 0.229 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.611 -4.297 -0.657 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.745 -3.843 -0.917 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.197 -5.393 -1.089 1.00 0.00 O ATOM 0 H GLU A 70 -10.121 -2.448 3.154 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.563 -4.737 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.166 -2.239 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.676 -2.390 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.289 -2.644 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.845 -4.094 0.534 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.189 -4.089 3.904 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.119 -4.701 4.682 1.00 0.00 C ATOM 1124 C ALA A 71 -6.647 -5.856 5.527 1.00 0.00 C ATOM 1125 O ALA A 71 -5.911 -6.788 5.852 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.449 -3.660 5.568 1.00 0.00 C ATOM 0 H ALA A 71 -7.295 -3.085 4.050 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.380 -5.101 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.652 -4.131 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.029 -2.869 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.185 -3.234 6.249 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.926 -5.788 5.880 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.553 -6.828 6.686 1.00 0.00 C ATOM 1134 C LYS A 72 -8.579 -8.157 5.937 1.00 0.00 C ATOM 1135 O LYS A 72 -8.014 -9.149 6.395 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.978 -6.418 7.067 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.524 -7.163 8.272 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.674 -6.410 8.920 1.00 0.00 C ATOM 1139 CE LYS A 72 -13.006 -6.768 8.278 1.00 0.00 C ATOM 1140 NZ LYS A 72 -14.158 -6.253 9.068 1.00 0.00 N ATOM 0 H LYS A 72 -8.549 -5.023 5.620 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.962 -6.954 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.996 -5.348 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.636 -6.590 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.863 -8.153 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.727 -7.310 9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.708 -6.641 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.503 -5.337 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.045 -6.357 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.085 -7.851 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.047 -6.517 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.136 -6.664 10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.097 -5.217 9.136 1.00 0.00 H new