USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 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= -2.37 K(o=-2.4,f=-5.8!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -0.149 (180deg=-1.47!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.736 USER MOD Single : A 37 THR OG1 : rot 51:sc= 0.278 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 177:sc= -0.108 (180deg=-0.134) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0329 (180deg=-0.511) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 79:sc= 0.505 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.698) USER MOD Single : A 59 MET CE :methyl 177:sc= -2.07 (180deg=-2.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.3) USER MOD Single : A 66 MET CE :methyl 151:sc= -1.37 (180deg=-4.8!) USER MOD Single : A 67 TYR OH : rot -82:sc= 0.656 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.064 -3.466 8.546 1.00 0.00 N ATOM 288 CA ASN A 23 -2.090 -2.551 9.033 1.00 0.00 C ATOM 289 C ASN A 23 -2.588 -1.646 7.910 1.00 0.00 C ATOM 290 O ASN A 23 -1.961 -1.544 6.856 1.00 0.00 O ATOM 291 CB ASN A 23 -1.542 -1.702 10.182 1.00 0.00 C ATOM 292 CG ASN A 23 -0.121 -1.237 9.931 1.00 0.00 C ATOM 293 OD1 ASN A 23 0.104 -0.217 9.279 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.847 -1.985 10.448 1.00 0.00 N ATOM 0 HA ASN A 23 -2.929 -3.145 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.185 -0.834 10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.574 -2.281 11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.823 -1.722 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.614 -2.823 10.982 1.00 0.00 H new ATOM 301 N ALA A 24 -3.720 -0.990 8.144 1.00 0.00 N ATOM 302 CA ALA A 24 -4.301 -0.092 7.155 1.00 0.00 C ATOM 303 C ALA A 24 -3.295 0.968 6.717 1.00 0.00 C ATOM 304 O ALA A 24 -3.182 1.278 5.531 1.00 0.00 O ATOM 305 CB ALA A 24 -5.555 0.567 7.711 1.00 0.00 C ATOM 0 H ALA A 24 -4.253 -1.064 9.011 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.572 -0.683 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.978 1.235 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.286 -0.200 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.300 1.138 8.604 1.00 0.00 H new ATOM 311 N PHE A 25 -2.567 1.520 7.682 1.00 0.00 N ATOM 312 CA PHE A 25 -1.571 2.546 7.396 1.00 0.00 C ATOM 313 C PHE A 25 -0.616 2.086 6.298 1.00 0.00 C ATOM 314 O PHE A 25 -0.309 2.838 5.374 1.00 0.00 O ATOM 315 CB PHE A 25 -0.784 2.889 8.662 1.00 0.00 C ATOM 316 CG PHE A 25 0.154 4.050 8.489 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.335 5.317 8.213 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.523 3.874 8.602 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.525 6.386 8.052 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.389 4.940 8.442 1.00 0.00 C ATOM 321 CZ PHE A 25 1.889 6.198 8.168 1.00 0.00 C ATOM 0 H PHE A 25 -2.648 1.274 8.669 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.093 3.437 7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.485 3.115 9.466 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.213 2.014 8.973 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.400 5.470 8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.919 2.893 8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.131 7.368 7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.455 4.789 8.531 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.563 7.033 8.045 1.00 0.00 H new ATOM 331 N MET A 26 -0.150 0.846 6.409 1.00 0.00 N ATOM 332 CA MET A 26 0.770 0.286 5.426 1.00 0.00 C ATOM 333 C MET A 26 0.223 0.452 4.012 1.00 0.00 C ATOM 334 O MET A 26 0.944 0.859 3.100 1.00 0.00 O ATOM 335 CB MET A 26 1.021 -1.195 5.718 1.00 0.00 C ATOM 336 CG MET A 26 1.802 -1.439 6.999 1.00 0.00 C ATOM 337 SD MET A 26 2.962 -2.811 6.855 1.00 0.00 S ATOM 338 CE MET A 26 4.384 -2.144 7.717 1.00 0.00 C ATOM 0 H MET A 26 -0.394 0.211 7.169 1.00 0.00 H new ATOM 0 HA MET A 26 1.713 0.828 5.497 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.063 -1.711 5.782 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.565 -1.635 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.347 -0.534 7.265 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.105 -1.642 7.812 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.189 -2.879 7.713 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.719 -1.235 7.217 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.110 -1.912 8.746 1.00 0.00 H new ATOM 348 N LEU A 27 -1.055 0.135 3.837 1.00 0.00 N ATOM 349 CA LEU A 27 -1.700 0.249 2.533 1.00 0.00 C ATOM 350 C LEU A 27 -1.796 1.708 2.099 1.00 0.00 C ATOM 351 O LEU A 27 -1.854 2.010 0.907 1.00 0.00 O ATOM 352 CB LEU A 27 -3.095 -0.376 2.575 1.00 0.00 C ATOM 353 CG LEU A 27 -3.565 -1.057 1.289 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.627 -2.193 0.914 1.00 0.00 C ATOM 355 CD2 LEU A 27 -4.989 -1.569 1.446 1.00 0.00 C ATOM 0 H LEU A 27 -1.665 -0.203 4.581 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.091 -0.288 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.118 -1.110 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.813 0.403 2.833 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.552 -0.321 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.977 -2.666 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.623 -1.799 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.608 -2.929 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.307 -2.051 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.028 -2.290 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.654 -0.734 1.667 1.00 0.00 H new ATOM 367 N PHE A 28 -1.812 2.610 3.075 1.00 0.00 N ATOM 368 CA PHE A 28 -1.900 4.039 2.794 1.00 0.00 C ATOM 369 C PHE A 28 -0.540 4.598 2.387 1.00 0.00 C ATOM 370 O PHE A 28 -0.375 5.116 1.283 1.00 0.00 O ATOM 371 CB PHE A 28 -2.426 4.789 4.019 1.00 0.00 C ATOM 372 CG PHE A 28 -2.268 6.280 3.923 1.00 0.00 C ATOM 373 CD1 PHE A 28 -3.263 7.059 3.354 1.00 0.00 C ATOM 374 CD2 PHE A 28 -1.126 6.901 4.401 1.00 0.00 C ATOM 375 CE1 PHE A 28 -3.120 8.431 3.263 1.00 0.00 C ATOM 376 CE2 PHE A 28 -0.978 8.273 4.313 1.00 0.00 C ATOM 377 CZ PHE A 28 -1.976 9.039 3.744 1.00 0.00 C ATOM 0 H PHE A 28 -1.765 2.377 4.067 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.594 4.179 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.481 4.552 4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.902 4.433 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.160 6.589 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.342 6.307 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.902 9.027 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.082 8.745 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.863 10.111 3.675 1.00 0.00 H new ATOM 387 N ALA A 29 0.432 4.489 3.287 1.00 0.00 N ATOM 388 CA ALA A 29 1.778 4.982 3.022 1.00 0.00 C ATOM 389 C ALA A 29 2.359 4.343 1.765 1.00 0.00 C ATOM 390 O ALA A 29 3.235 4.912 1.114 1.00 0.00 O ATOM 391 CB ALA A 29 2.681 4.718 4.217 1.00 0.00 C ATOM 0 H ALA A 29 0.312 4.063 4.206 1.00 0.00 H new ATOM 0 HA ALA A 29 1.719 6.058 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.683 5.091 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.282 5.227 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.726 3.646 4.409 1.00 0.00 H new ATOM 397 N LYS A 30 1.866 3.155 1.429 1.00 0.00 N ATOM 398 CA LYS A 30 2.335 2.437 0.250 1.00 0.00 C ATOM 399 C LYS A 30 1.672 2.975 -1.014 1.00 0.00 C ATOM 400 O LYS A 30 2.350 3.379 -1.959 1.00 0.00 O ATOM 401 CB LYS A 30 2.049 0.940 0.392 1.00 0.00 C ATOM 402 CG LYS A 30 2.573 0.109 -0.766 1.00 0.00 C ATOM 403 CD LYS A 30 2.012 -1.303 -0.738 1.00 0.00 C ATOM 404 CE LYS A 30 0.588 -1.346 -1.271 1.00 0.00 C ATOM 405 NZ LYS A 30 0.553 -1.370 -2.760 1.00 0.00 N ATOM 0 H LYS A 30 1.141 2.669 1.957 1.00 0.00 H new ATOM 0 HA LYS A 30 3.411 2.589 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.496 0.579 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.973 0.791 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.308 0.588 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.661 0.070 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.645 -1.959 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.031 -1.683 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.081 -2.229 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.038 -0.477 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.435 -1.399 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.014 -0.515 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.055 -2.213 -3.106 1.00 0.00 H new ATOM 419 N LYS A 31 0.344 2.979 -1.024 1.00 0.00 N ATOM 420 CA LYS A 31 -0.412 3.470 -2.170 1.00 0.00 C ATOM 421 C LYS A 31 -0.144 4.953 -2.404 1.00 0.00 C ATOM 422 O LYS A 31 -0.292 5.452 -3.520 1.00 0.00 O ATOM 423 CB LYS A 31 -1.910 3.239 -1.957 1.00 0.00 C ATOM 424 CG LYS A 31 -2.749 3.509 -3.194 1.00 0.00 C ATOM 425 CD LYS A 31 -4.221 3.226 -2.941 1.00 0.00 C ATOM 426 CE LYS A 31 -4.551 1.758 -3.161 1.00 0.00 C ATOM 427 NZ LYS A 31 -4.322 0.947 -1.933 1.00 0.00 N ATOM 0 H LYS A 31 -0.232 2.647 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.087 2.917 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.069 2.209 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.256 3.880 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.624 4.548 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.395 2.889 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.477 3.509 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.830 3.840 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.592 1.662 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.940 1.366 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.026 0.183 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.367 0.537 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.413 1.554 -1.094 1.00 0.00 H new ATOM 441 N TYR A 32 0.253 5.651 -1.346 1.00 0.00 N ATOM 442 CA TYR A 32 0.541 7.078 -1.437 1.00 0.00 C ATOM 443 C TYR A 32 2.039 7.340 -1.320 1.00 0.00 C ATOM 444 O TYR A 32 2.474 8.486 -1.207 1.00 0.00 O ATOM 445 CB TYR A 32 -0.208 7.841 -0.343 1.00 0.00 C ATOM 446 CG TYR A 32 -1.679 8.031 -0.636 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.518 6.939 -0.819 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.230 9.304 -0.729 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.863 7.109 -1.087 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.574 9.482 -0.996 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.386 8.382 -1.174 1.00 0.00 C ATOM 452 OH TYR A 32 -5.725 8.555 -1.440 1.00 0.00 O ATOM 0 H TYR A 32 0.383 5.253 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 32 0.204 7.429 -2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.100 7.306 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.257 8.818 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.112 5.940 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.597 10.168 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.501 6.249 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.986 10.478 -1.065 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.932 9.512 -1.467 1.00 0.00 H new ATOM 462 N ARG A 33 2.824 6.268 -1.349 1.00 0.00 N ATOM 463 CA ARG A 33 4.274 6.380 -1.247 1.00 0.00 C ATOM 464 C ARG A 33 4.838 7.212 -2.395 1.00 0.00 C ATOM 465 O ARG A 33 5.400 8.286 -2.179 1.00 0.00 O ATOM 466 CB ARG A 33 4.916 4.991 -1.246 1.00 0.00 C ATOM 467 CG ARG A 33 6.150 4.890 -0.365 1.00 0.00 C ATOM 468 CD ARG A 33 7.428 4.972 -1.185 1.00 0.00 C ATOM 469 NE ARG A 33 7.504 3.911 -2.187 1.00 0.00 N ATOM 470 CZ ARG A 33 7.876 2.666 -1.912 1.00 0.00 C ATOM 471 NH1 ARG A 33 8.203 2.326 -0.673 1.00 0.00 N ATOM 472 NH2 ARG A 33 7.920 1.757 -2.878 1.00 0.00 N ATOM 0 H ARG A 33 2.480 5.312 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 33 4.509 6.882 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.180 4.260 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.187 4.725 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.138 5.692 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.129 3.950 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.480 5.942 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.290 4.906 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 33 7.258 4.139 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.169 3.021 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.488 1.369 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.668 2.014 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.206 0.801 -2.666 1.00 0.00 H new ATOM 486 N VAL A 34 4.684 6.709 -3.615 1.00 0.00 N ATOM 487 CA VAL A 34 5.176 7.405 -4.797 1.00 0.00 C ATOM 488 C VAL A 34 4.442 8.725 -5.003 1.00 0.00 C ATOM 489 O VAL A 34 5.008 9.687 -5.521 1.00 0.00 O ATOM 490 CB VAL A 34 5.022 6.541 -6.063 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.551 6.304 -6.371 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.723 7.196 -7.244 1.00 0.00 C ATOM 0 H VAL A 34 4.222 5.821 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 34 6.234 7.604 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 34 5.492 5.574 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.461 5.692 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.082 5.789 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.054 7.261 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.604 6.572 -8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.284 8.176 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.784 7.310 -7.020 1.00 0.00 H new ATOM 502 N GLU A 35 3.178 8.763 -4.593 1.00 0.00 N ATOM 503 CA GLU A 35 2.366 9.967 -4.733 1.00 0.00 C ATOM 504 C GLU A 35 3.082 11.178 -4.142 1.00 0.00 C ATOM 505 O GLU A 35 2.985 12.287 -4.667 1.00 0.00 O ATOM 506 CB GLU A 35 1.011 9.777 -4.049 1.00 0.00 C ATOM 507 CG GLU A 35 0.160 8.686 -4.676 1.00 0.00 C ATOM 508 CD GLU A 35 0.182 8.727 -6.192 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.345 9.702 -6.766 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.727 7.784 -6.803 1.00 0.00 O ATOM 0 H GLU A 35 2.694 7.975 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 35 2.206 10.145 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.174 9.540 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.462 10.718 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.516 7.713 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.868 8.788 -4.328 1.00 0.00 H new ATOM 517 N TYR A 36 3.800 10.956 -3.047 1.00 0.00 N ATOM 518 CA TYR A 36 4.530 12.029 -2.381 1.00 0.00 C ATOM 519 C TYR A 36 5.981 12.074 -2.850 1.00 0.00 C ATOM 520 O TYR A 36 6.624 13.124 -2.822 1.00 0.00 O ATOM 521 CB TYR A 36 4.478 11.845 -0.864 1.00 0.00 C ATOM 522 CG TYR A 36 3.159 12.255 -0.249 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.971 11.648 -0.636 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.101 13.249 0.721 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.764 12.020 -0.077 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.899 13.626 1.286 1.00 0.00 C ATOM 527 CZ TYR A 36 0.733 13.009 0.884 1.00 0.00 C ATOM 528 OH TYR A 36 -0.468 13.382 1.444 1.00 0.00 O ATOM 0 H TYR A 36 3.892 10.043 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 36 4.054 12.974 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.670 10.799 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.279 12.428 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.991 10.872 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.012 13.735 1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.151 11.539 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.872 14.400 2.039 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.187 13.253 0.791 1.00 0.00 H new ATOM 538 N THR A 37 6.491 10.925 -3.284 1.00 0.00 N ATOM 539 CA THR A 37 7.866 10.830 -3.759 1.00 0.00 C ATOM 540 C THR A 37 8.094 11.736 -4.964 1.00 0.00 C ATOM 541 O THR A 37 9.204 12.219 -5.186 1.00 0.00 O ATOM 542 CB THR A 37 8.229 9.383 -4.142 1.00 0.00 C ATOM 543 OG1 THR A 37 7.822 8.485 -3.104 1.00 0.00 O ATOM 544 CG2 THR A 37 9.725 9.246 -4.380 1.00 0.00 C ATOM 0 H THR A 37 5.972 10.047 -3.316 1.00 0.00 H new ATOM 0 HA THR A 37 8.508 11.152 -2.939 1.00 0.00 H new ATOM 0 HB THR A 37 7.706 9.132 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.884 8.653 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.958 8.216 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.027 9.910 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.264 9.514 -3.471 1.00 0.00 H new ATOM 552 N GLN A 38 7.038 11.962 -5.737 1.00 0.00 N ATOM 553 CA GLN A 38 7.125 12.810 -6.920 1.00 0.00 C ATOM 554 C GLN A 38 6.574 14.203 -6.633 1.00 0.00 C ATOM 555 O GLN A 38 7.016 15.189 -7.221 1.00 0.00 O ATOM 556 CB GLN A 38 6.362 12.177 -8.085 1.00 0.00 C ATOM 557 CG GLN A 38 6.655 10.697 -8.272 1.00 0.00 C ATOM 558 CD GLN A 38 6.369 10.219 -9.682 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.258 10.191 -10.532 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.122 9.839 -9.937 1.00 0.00 N ATOM 0 H GLN A 38 6.112 11.570 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 38 8.176 12.904 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.292 12.309 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.613 12.707 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.701 10.504 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.055 10.120 -7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.416 9.879 -9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.870 9.507 -10.868 1.00 0.00 H new ATOM 569 N MET A 39 5.606 14.276 -5.725 1.00 0.00 N ATOM 570 CA MET A 39 4.996 15.549 -5.359 1.00 0.00 C ATOM 571 C MET A 39 5.948 16.384 -4.509 1.00 0.00 C ATOM 572 O MET A 39 5.903 17.614 -4.537 1.00 0.00 O ATOM 573 CB MET A 39 3.689 15.312 -4.599 1.00 0.00 C ATOM 574 CG MET A 39 2.469 15.228 -5.501 1.00 0.00 C ATOM 575 SD MET A 39 0.930 15.553 -4.620 1.00 0.00 S ATOM 576 CE MET A 39 0.720 14.016 -3.725 1.00 0.00 C ATOM 0 H MET A 39 5.227 13.469 -5.229 1.00 0.00 H new ATOM 0 HA MET A 39 4.781 16.098 -6.276 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.773 14.387 -4.028 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.545 16.119 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.575 15.944 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.423 14.237 -5.952 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.164 14.082 -3.090 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.597 13.196 -4.433 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.598 13.832 -3.106 1.00 0.00 H new ATOM 586 N TYR A 40 6.808 15.708 -3.755 1.00 0.00 N ATOM 587 CA TYR A 40 7.769 16.389 -2.895 1.00 0.00 C ATOM 588 C TYR A 40 9.170 15.816 -3.084 1.00 0.00 C ATOM 589 O TYR A 40 9.708 15.124 -2.220 1.00 0.00 O ATOM 590 CB TYR A 40 7.350 16.266 -1.429 1.00 0.00 C ATOM 591 CG TYR A 40 6.028 16.931 -1.120 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.828 16.358 -1.523 1.00 0.00 C ATOM 593 CD2 TYR A 40 5.978 18.133 -0.425 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.617 16.962 -1.243 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.772 18.744 -0.139 1.00 0.00 C ATOM 596 CZ TYR A 40 3.595 18.155 -0.551 1.00 0.00 C ATOM 597 OH TYR A 40 2.392 18.761 -0.270 1.00 0.00 O ATOM 0 H TYR A 40 6.859 14.690 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 40 7.785 17.442 -3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.287 15.210 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.124 16.706 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.842 15.424 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.898 18.598 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.694 16.503 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.751 19.677 0.404 1.00 0.00 H new ATOM 0 HH TYR A 40 2.552 19.592 0.224 1.00 0.00 H new ATOM 607 N PRO A 41 9.777 16.111 -4.243 1.00 0.00 N ATOM 608 CA PRO A 41 11.124 15.638 -4.575 1.00 0.00 C ATOM 609 C PRO A 41 12.200 16.310 -3.728 1.00 0.00 C ATOM 610 O PRO A 41 13.216 15.700 -3.399 1.00 0.00 O ATOM 611 CB PRO A 41 11.284 16.025 -6.047 1.00 0.00 C ATOM 612 CG PRO A 41 10.360 17.177 -6.238 1.00 0.00 C ATOM 613 CD PRO A 41 9.195 16.931 -5.319 1.00 0.00 C ATOM 0 HA PRO A 41 11.239 14.571 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.314 16.301 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.024 15.196 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.855 18.118 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.031 17.246 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.782 17.864 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.385 16.409 -5.828 1.00 0.00 H new ATOM 621 N GLY A 42 11.968 17.571 -3.377 1.00 0.00 N ATOM 622 CA GLY A 42 12.926 18.305 -2.570 1.00 0.00 C ATOM 623 C GLY A 42 13.025 17.768 -1.156 1.00 0.00 C ATOM 624 O GLY A 42 14.014 18.005 -0.461 1.00 0.00 O ATOM 0 H GLY A 42 11.134 18.098 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.907 18.257 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.639 19.356 -2.537 1.00 0.00 H new ATOM 628 N LYS A 43 11.998 17.043 -0.727 1.00 0.00 N ATOM 629 CA LYS A 43 11.972 16.470 0.614 1.00 0.00 C ATOM 630 C LYS A 43 12.488 15.035 0.603 1.00 0.00 C ATOM 631 O LYS A 43 12.484 14.372 -0.435 1.00 0.00 O ATOM 632 CB LYS A 43 10.551 16.508 1.179 1.00 0.00 C ATOM 633 CG LYS A 43 10.024 17.915 1.406 1.00 0.00 C ATOM 634 CD LYS A 43 8.635 17.897 2.024 1.00 0.00 C ATOM 635 CE LYS A 43 8.052 19.298 2.124 1.00 0.00 C ATOM 636 NZ LYS A 43 6.646 19.280 2.614 1.00 0.00 N ATOM 0 H LYS A 43 11.172 16.838 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 43 12.626 17.067 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.883 15.985 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.530 15.964 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.707 18.459 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.994 18.451 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.976 17.270 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.683 17.450 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.664 19.899 2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.090 19.778 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.187 20.185 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.128 18.504 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.639 19.139 3.644 1.00 0.00 H new ATOM 650 N ASP A 44 12.929 14.561 1.762 1.00 0.00 N ATOM 651 CA ASP A 44 13.445 13.202 1.886 1.00 0.00 C ATOM 652 C ASP A 44 12.362 12.253 2.390 1.00 0.00 C ATOM 653 O ASP A 44 11.333 12.688 2.906 1.00 0.00 O ATOM 654 CB ASP A 44 14.646 13.175 2.834 1.00 0.00 C ATOM 655 CG ASP A 44 14.355 13.855 4.157 1.00 0.00 C ATOM 656 OD1 ASP A 44 13.257 13.634 4.709 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.225 14.610 4.640 1.00 0.00 O ATOM 0 H ASP A 44 12.940 15.097 2.630 1.00 0.00 H new ATOM 0 HA ASP A 44 13.763 12.869 0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.938 12.141 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.494 13.665 2.356 1.00 0.00 H new ATOM 662 N ASN A 45 12.602 10.955 2.235 1.00 0.00 N ATOM 663 CA ASN A 45 11.646 9.944 2.673 1.00 0.00 C ATOM 664 C ASN A 45 11.253 10.162 4.131 1.00 0.00 C ATOM 665 O ASN A 45 10.119 9.890 4.526 1.00 0.00 O ATOM 666 CB ASN A 45 12.236 8.544 2.496 1.00 0.00 C ATOM 667 CG ASN A 45 11.307 7.457 3.001 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.209 7.271 2.478 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.746 6.732 4.024 1.00 0.00 N ATOM 0 H ASN A 45 13.449 10.579 1.810 1.00 0.00 H new ATOM 0 HA ASN A 45 10.751 10.035 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.450 8.374 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.185 8.483 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.165 5.986 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.664 6.921 4.427 1.00 0.00 H new ATOM 676 N ARG A 46 12.197 10.655 4.925 1.00 0.00 N ATOM 677 CA ARG A 46 11.950 10.910 6.339 1.00 0.00 C ATOM 678 C ARG A 46 10.814 11.912 6.521 1.00 0.00 C ATOM 679 O ARG A 46 10.066 11.848 7.496 1.00 0.00 O ATOM 680 CB ARG A 46 13.219 11.432 7.015 1.00 0.00 C ATOM 681 CG ARG A 46 13.150 11.420 8.533 1.00 0.00 C ATOM 682 CD ARG A 46 14.422 11.976 9.153 1.00 0.00 C ATOM 683 NE ARG A 46 15.450 10.950 9.307 1.00 0.00 N ATOM 684 CZ ARG A 46 15.440 10.038 10.273 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.461 10.026 11.167 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.411 9.137 10.347 1.00 0.00 N ATOM 0 H ARG A 46 13.140 10.886 4.613 1.00 0.00 H new ATOM 0 HA ARG A 46 11.659 9.969 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 46 14.067 10.827 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.408 12.451 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.295 12.009 8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.989 10.400 8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.806 12.783 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.192 12.408 10.127 1.00 0.00 H new ATOM 0 HE ARG A 46 16.218 10.933 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.713 10.718 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.455 9.325 11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.166 9.144 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.402 8.437 11.089 1.00 0.00 H new ATOM 700 N ALA A 47 10.692 12.838 5.575 1.00 0.00 N ATOM 701 CA ALA A 47 9.647 13.853 5.630 1.00 0.00 C ATOM 702 C ALA A 47 8.350 13.339 5.014 1.00 0.00 C ATOM 703 O ALA A 47 7.261 13.608 5.523 1.00 0.00 O ATOM 704 CB ALA A 47 10.104 15.120 4.923 1.00 0.00 C ATOM 0 H ALA A 47 11.304 12.906 4.762 1.00 0.00 H new ATOM 0 HA ALA A 47 9.454 14.085 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.314 15.869 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.000 15.505 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.326 14.895 3.880 1.00 0.00 H new ATOM 710 N ILE A 48 8.474 12.601 3.917 1.00 0.00 N ATOM 711 CA ILE A 48 7.310 12.050 3.233 1.00 0.00 C ATOM 712 C ILE A 48 6.450 11.228 4.186 1.00 0.00 C ATOM 713 O ILE A 48 5.228 11.369 4.214 1.00 0.00 O ATOM 714 CB ILE A 48 7.725 11.166 2.041 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.611 11.956 1.076 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.493 10.634 1.323 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.903 13.123 0.423 1.00 0.00 C ATOM 0 H ILE A 48 9.368 12.371 3.483 1.00 0.00 H new ATOM 0 HA ILE A 48 6.731 12.896 2.864 1.00 0.00 H new ATOM 0 HB ILE A 48 8.297 10.318 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.482 12.326 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.978 11.284 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.802 10.011 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.897 10.040 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.897 11.469 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.591 13.637 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.048 12.758 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.559 13.816 1.191 1.00 0.00 H new ATOM 729 N SER A 49 7.097 10.369 4.968 1.00 0.00 N ATOM 730 CA SER A 49 6.391 9.522 5.922 1.00 0.00 C ATOM 731 C SER A 49 5.651 10.368 6.954 1.00 0.00 C ATOM 732 O SER A 49 4.479 10.127 7.245 1.00 0.00 O ATOM 733 CB SER A 49 7.372 8.582 6.625 1.00 0.00 C ATOM 734 OG SER A 49 8.219 7.937 5.690 1.00 0.00 O ATOM 0 H SER A 49 8.109 10.242 4.959 1.00 0.00 H new ATOM 0 HA SER A 49 5.661 8.928 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.974 9.146 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.820 7.835 7.196 1.00 0.00 H new ATOM 0 HG SER A 49 8.932 8.551 5.416 1.00 0.00 H new ATOM 740 N VAL A 50 6.343 11.360 7.504 1.00 0.00 N ATOM 741 CA VAL A 50 5.753 12.242 8.504 1.00 0.00 C ATOM 742 C VAL A 50 4.507 12.932 7.959 1.00 0.00 C ATOM 743 O VAL A 50 3.444 12.897 8.581 1.00 0.00 O ATOM 744 CB VAL A 50 6.757 13.313 8.970 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.112 14.242 9.988 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.003 12.658 9.548 1.00 0.00 C ATOM 0 H VAL A 50 7.314 11.573 7.274 1.00 0.00 H new ATOM 0 HA VAL A 50 5.478 11.618 9.355 1.00 0.00 H new ATOM 0 HB VAL A 50 7.054 13.909 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.836 14.992 10.306 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.252 14.736 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.785 13.664 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.702 13.429 9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.726 12.038 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.475 12.038 8.786 1.00 0.00 H new ATOM 756 N ILE A 51 4.645 13.559 6.796 1.00 0.00 N ATOM 757 CA ILE A 51 3.530 14.256 6.167 1.00 0.00 C ATOM 758 C ILE A 51 2.412 13.285 5.799 1.00 0.00 C ATOM 759 O ILE A 51 1.238 13.657 5.765 1.00 0.00 O ATOM 760 CB ILE A 51 3.978 15.008 4.900 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.100 15.994 5.237 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.799 15.734 4.270 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.839 16.506 4.020 1.00 0.00 C ATOM 0 H ILE A 51 5.518 13.599 6.270 1.00 0.00 H new ATOM 0 HA ILE A 51 3.158 14.977 6.895 1.00 0.00 H new ATOM 0 HB ILE A 51 4.359 14.284 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.678 16.840 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.810 15.509 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.132 16.261 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.029 15.011 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.390 16.451 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.619 17.199 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.290 15.668 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.141 17.020 3.360 1.00 0.00 H new ATOM 775 N LEU A 52 2.784 12.040 5.526 1.00 0.00 N ATOM 776 CA LEU A 52 1.813 11.014 5.163 1.00 0.00 C ATOM 777 C LEU A 52 0.945 10.636 6.359 1.00 0.00 C ATOM 778 O LEU A 52 -0.263 10.446 6.227 1.00 0.00 O ATOM 779 CB LEU A 52 2.529 9.773 4.626 1.00 0.00 C ATOM 780 CG LEU A 52 2.842 9.773 3.129 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.634 8.532 2.749 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.558 9.859 2.316 1.00 0.00 C ATOM 0 H LEU A 52 3.751 11.716 5.549 1.00 0.00 H new ATOM 0 HA LEU A 52 1.168 11.420 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.465 9.653 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.916 8.900 4.849 1.00 0.00 H new ATOM 0 HG LEU A 52 3.450 10.649 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.847 8.550 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.571 8.514 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.052 7.642 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.800 9.858 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.924 9.002 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.029 10.779 2.567 1.00 0.00 H new ATOM 794 N GLY A 53 1.571 10.533 7.528 1.00 0.00 N ATOM 795 CA GLY A 53 0.840 10.181 8.732 1.00 0.00 C ATOM 796 C GLY A 53 -0.265 11.169 9.048 1.00 0.00 C ATOM 797 O GLY A 53 -1.403 10.776 9.308 1.00 0.00 O ATOM 0 H GLY A 53 2.570 10.687 7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.411 9.186 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.532 10.133 9.573 1.00 0.00 H new ATOM 801 N ASP A 54 0.069 12.454 9.029 1.00 0.00 N ATOM 802 CA ASP A 54 -0.904 13.502 9.317 1.00 0.00 C ATOM 803 C ASP A 54 -2.153 13.334 8.457 1.00 0.00 C ATOM 804 O ASP A 54 -3.274 13.520 8.931 1.00 0.00 O ATOM 805 CB ASP A 54 -0.287 14.881 9.078 1.00 0.00 C ATOM 806 CG ASP A 54 -0.952 15.964 9.904 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.150 15.746 11.118 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.275 17.029 9.337 1.00 0.00 O ATOM 0 H ASP A 54 1.006 12.796 8.817 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.192 13.419 10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.776 14.847 9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.368 15.134 8.021 1.00 0.00 H new ATOM 813 N ARG A 55 -1.952 12.984 7.191 1.00 0.00 N ATOM 814 CA ARG A 55 -3.061 12.794 6.265 1.00 0.00 C ATOM 815 C ARG A 55 -3.978 11.669 6.738 1.00 0.00 C ATOM 816 O ARG A 55 -5.190 11.715 6.533 1.00 0.00 O ATOM 817 CB ARG A 55 -2.535 12.482 4.863 1.00 0.00 C ATOM 818 CG ARG A 55 -1.957 13.691 4.147 1.00 0.00 C ATOM 819 CD ARG A 55 -2.909 14.219 3.085 1.00 0.00 C ATOM 820 NE ARG A 55 -2.642 15.616 2.756 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.472 16.377 2.051 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.617 15.878 1.605 1.00 0.00 N ATOM 823 NH2 ARG A 55 -3.158 17.640 1.792 1.00 0.00 N ATOM 0 H ARG A 55 -1.031 12.826 6.783 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.636 13.719 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.767 11.712 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.346 12.069 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.746 14.478 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.008 13.421 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.820 13.611 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.936 14.119 3.437 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.770 16.031 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.862 14.908 1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.253 16.464 1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.279 18.027 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.796 18.223 1.251 1.00 0.00 H new ATOM 837 N TRP A 56 -3.389 10.660 7.370 1.00 0.00 N ATOM 838 CA TRP A 56 -4.152 9.522 7.871 1.00 0.00 C ATOM 839 C TRP A 56 -5.002 9.924 9.072 1.00 0.00 C ATOM 840 O TRP A 56 -6.006 9.280 9.378 1.00 0.00 O ATOM 841 CB TRP A 56 -3.211 8.380 8.256 1.00 0.00 C ATOM 842 CG TRP A 56 -3.914 7.220 8.894 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.033 6.969 10.231 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.594 6.155 8.221 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.745 5.811 10.430 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.102 5.293 9.213 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.825 5.846 6.878 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.824 4.144 8.902 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.542 4.705 6.571 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.035 3.866 7.579 1.00 0.00 C ATOM 0 H TRP A 56 -2.386 10.607 7.548 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.816 9.183 7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.689 8.033 7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.454 8.759 8.942 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.627 7.589 11.016 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.971 5.403 11.337 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.450 6.487 6.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.204 3.495 9.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.725 4.456 5.536 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.593 2.982 7.306 1.00 0.00 H new ATOM 861 N LYS A 57 -4.594 10.992 9.749 1.00 0.00 N ATOM 862 CA LYS A 57 -5.318 11.481 10.917 1.00 0.00 C ATOM 863 C LYS A 57 -6.355 12.525 10.515 1.00 0.00 C ATOM 864 O LYS A 57 -7.405 12.648 11.148 1.00 0.00 O ATOM 865 CB LYS A 57 -4.344 12.079 11.933 1.00 0.00 C ATOM 866 CG LYS A 57 -3.116 11.219 12.179 1.00 0.00 C ATOM 867 CD LYS A 57 -2.262 11.774 13.306 1.00 0.00 C ATOM 868 CE LYS A 57 -1.582 13.073 12.903 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.060 13.815 14.083 1.00 0.00 N ATOM 0 H LYS A 57 -3.765 11.536 9.509 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.835 10.637 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.025 13.061 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.866 12.231 12.878 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.426 10.203 12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.523 11.161 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.884 11.945 14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.508 11.039 13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.762 12.856 12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.290 13.701 12.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.604 14.694 13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.846 14.044 14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.365 13.226 14.584 1.00 0.00 H new ATOM 883 N LYS A 58 -6.056 13.274 9.460 1.00 0.00 N ATOM 884 CA LYS A 58 -6.963 14.306 8.971 1.00 0.00 C ATOM 885 C LYS A 58 -8.114 13.690 8.183 1.00 0.00 C ATOM 886 O LYS A 58 -9.207 14.252 8.120 1.00 0.00 O ATOM 887 CB LYS A 58 -6.206 15.305 8.093 1.00 0.00 C ATOM 888 CG LYS A 58 -5.940 16.635 8.776 1.00 0.00 C ATOM 889 CD LYS A 58 -4.526 16.707 9.326 1.00 0.00 C ATOM 890 CE LYS A 58 -4.343 17.908 10.242 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.307 17.891 11.377 1.00 0.00 N ATOM 0 H LYS A 58 -5.191 13.186 8.926 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.376 14.830 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.256 14.864 7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.778 15.482 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.097 17.447 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.654 16.778 9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.301 15.792 9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.816 16.766 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.325 17.917 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.473 18.826 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.930 18.460 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.216 18.289 11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.449 16.912 11.697 1.00 0.00 H new ATOM 905 N MET A 59 -7.861 12.531 7.583 1.00 0.00 N ATOM 906 CA MET A 59 -8.878 11.838 6.801 1.00 0.00 C ATOM 907 C MET A 59 -10.078 11.473 7.670 1.00 0.00 C ATOM 908 O MET A 59 -10.085 11.726 8.875 1.00 0.00 O ATOM 909 CB MET A 59 -8.292 10.575 6.166 1.00 0.00 C ATOM 910 CG MET A 59 -7.721 10.803 4.776 1.00 0.00 C ATOM 911 SD MET A 59 -7.376 9.262 3.906 1.00 0.00 S ATOM 912 CE MET A 59 -6.300 8.443 5.080 1.00 0.00 C ATOM 0 H MET A 59 -6.961 12.053 7.624 1.00 0.00 H new ATOM 0 HA MET A 59 -9.214 12.511 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.507 10.184 6.813 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.069 9.812 6.110 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.424 11.396 4.191 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.802 11.384 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.043 7.451 4.708 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.390 9.029 5.210 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.811 8.350 6.038 1.00 0.00 H new ATOM 922 N LYS A 60 -11.092 10.879 7.051 1.00 0.00 N ATOM 923 CA LYS A 60 -12.298 10.479 7.767 1.00 0.00 C ATOM 924 C LYS A 60 -12.320 8.971 7.995 1.00 0.00 C ATOM 925 O LYS A 60 -11.354 8.273 7.690 1.00 0.00 O ATOM 926 CB LYS A 60 -13.544 10.906 6.989 1.00 0.00 C ATOM 927 CG LYS A 60 -13.502 12.350 6.519 1.00 0.00 C ATOM 928 CD LYS A 60 -14.898 12.939 6.401 1.00 0.00 C ATOM 929 CE LYS A 60 -14.918 14.144 5.472 1.00 0.00 C ATOM 930 NZ LYS A 60 -14.607 15.407 6.196 1.00 0.00 N ATOM 0 H LYS A 60 -11.103 10.664 6.054 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.296 10.976 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.663 10.254 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.422 10.763 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.913 12.944 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.000 12.405 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.584 12.179 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.255 13.233 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.194 13.997 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.899 14.226 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.630 16.204 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.313 15.561 6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.660 15.339 6.621 1.00 0.00 H new ATOM 944 N ASN A 61 -13.430 8.474 8.531 1.00 0.00 N ATOM 945 CA ASN A 61 -13.578 7.048 8.798 1.00 0.00 C ATOM 946 C ASN A 61 -13.613 6.252 7.497 1.00 0.00 C ATOM 947 O ASN A 61 -12.846 5.307 7.315 1.00 0.00 O ATOM 948 CB ASN A 61 -14.854 6.788 9.602 1.00 0.00 C ATOM 949 CG ASN A 61 -16.049 7.540 9.049 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.739 7.056 8.152 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.299 8.729 9.584 1.00 0.00 N ATOM 0 H ASN A 61 -14.240 9.038 8.789 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.716 6.722 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.069 5.719 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.692 7.081 10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.090 9.281 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.700 9.091 10.326 1.00 0.00 H new ATOM 958 N GLU A 62 -14.509 6.641 6.595 1.00 0.00 N ATOM 959 CA GLU A 62 -14.644 5.963 5.311 1.00 0.00 C ATOM 960 C GLU A 62 -13.363 6.091 4.491 1.00 0.00 C ATOM 961 O GLU A 62 -12.945 5.145 3.824 1.00 0.00 O ATOM 962 CB GLU A 62 -15.824 6.540 4.526 1.00 0.00 C ATOM 963 CG GLU A 62 -16.180 5.737 3.286 1.00 0.00 C ATOM 964 CD GLU A 62 -17.110 4.578 3.588 1.00 0.00 C ATOM 965 OE1 GLU A 62 -17.935 4.705 4.517 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.014 3.544 2.894 1.00 0.00 O ATOM 0 H GLU A 62 -15.152 7.422 6.730 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.827 4.906 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.695 6.589 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.588 7.563 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.651 6.394 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.266 5.355 2.830 1.00 0.00 H new ATOM 973 N GLU A 63 -12.746 7.267 4.547 1.00 0.00 N ATOM 974 CA GLU A 63 -11.514 7.519 3.809 1.00 0.00 C ATOM 975 C GLU A 63 -10.440 6.501 4.180 1.00 0.00 C ATOM 976 O GLU A 63 -9.529 6.230 3.397 1.00 0.00 O ATOM 977 CB GLU A 63 -11.007 8.936 4.087 1.00 0.00 C ATOM 978 CG GLU A 63 -12.035 10.017 3.801 1.00 0.00 C ATOM 979 CD GLU A 63 -12.296 10.197 2.318 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.486 9.700 1.509 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.310 10.835 1.968 1.00 0.00 O ATOM 0 H GLU A 63 -13.079 8.060 5.096 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.731 7.421 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.700 9.005 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.120 9.121 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.970 9.766 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.691 10.961 4.223 1.00 0.00 H new ATOM 988 N ARG A 64 -10.554 5.940 5.380 1.00 0.00 N ATOM 989 CA ARG A 64 -9.592 4.953 5.856 1.00 0.00 C ATOM 990 C ARG A 64 -10.159 3.541 5.739 1.00 0.00 C ATOM 991 O ARG A 64 -9.412 2.569 5.623 1.00 0.00 O ATOM 992 CB ARG A 64 -9.209 5.242 7.309 1.00 0.00 C ATOM 993 CG ARG A 64 -8.480 6.562 7.495 1.00 0.00 C ATOM 994 CD ARG A 64 -8.254 6.870 8.967 1.00 0.00 C ATOM 995 NE ARG A 64 -9.351 7.647 9.538 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.358 8.101 10.787 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.331 7.857 11.590 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.393 8.800 11.234 1.00 0.00 N ATOM 0 H ARG A 64 -11.302 6.152 6.040 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.701 5.021 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.112 5.246 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.578 4.433 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.521 6.525 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.058 7.366 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.144 5.937 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.321 7.421 9.083 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.156 7.852 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.534 7.320 11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.339 8.206 12.548 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.184 8.989 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.398 9.148 12.193 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.483 3.436 5.771 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.150 2.144 5.671 1.00 0.00 C ATOM 1014 C ARG A 65 -11.655 1.370 4.452 1.00 0.00 C ATOM 1015 O ARG A 65 -11.480 0.153 4.507 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.666 2.333 5.587 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.447 1.030 5.652 1.00 0.00 C ATOM 1018 CD ARG A 65 -15.918 1.277 5.948 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.766 0.200 5.445 1.00 0.00 N ATOM 1020 CZ ARG A 65 -16.984 -0.021 4.153 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -16.420 0.757 3.240 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -17.768 -1.021 3.773 1.00 0.00 N ATOM 0 H ARG A 65 -12.115 4.231 5.865 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.912 1.570 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.989 2.981 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.909 2.846 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.349 0.498 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.022 0.388 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.059 1.377 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.225 2.221 5.497 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.215 -0.416 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.817 1.527 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.589 0.585 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.204 -1.621 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.935 -1.190 2.781 1.00 0.00 H new ATOM 1036 N MET A 66 -11.433 2.085 3.354 1.00 0.00 N ATOM 1037 CA MET A 66 -10.958 1.465 2.123 1.00 0.00 C ATOM 1038 C MET A 66 -9.717 0.617 2.384 1.00 0.00 C ATOM 1039 O MET A 66 -9.503 -0.405 1.731 1.00 0.00 O ATOM 1040 CB MET A 66 -10.647 2.535 1.075 1.00 0.00 C ATOM 1041 CG MET A 66 -9.633 3.567 1.542 1.00 0.00 C ATOM 1042 SD MET A 66 -9.643 5.059 0.530 1.00 0.00 S ATOM 1043 CE MET A 66 -11.294 5.675 0.850 1.00 0.00 C ATOM 0 H MET A 66 -11.574 3.093 3.292 1.00 0.00 H new ATOM 0 HA MET A 66 -11.747 0.815 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.271 2.051 0.174 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.571 3.044 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.843 3.834 2.578 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.636 3.126 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.302 6.761 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.989 5.244 0.130 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.597 5.396 1.859 1.00 0.00 H new ATOM 1053 N TYR A 67 -8.904 1.047 3.342 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.683 0.329 3.687 1.00 0.00 C ATOM 1055 C TYR A 67 -7.916 -0.603 4.873 1.00 0.00 C ATOM 1056 O TYR A 67 -7.308 -1.669 4.969 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.560 1.315 4.012 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.446 2.451 3.020 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -5.878 2.251 1.768 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -6.905 3.724 3.336 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.771 3.286 0.859 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.804 4.764 2.432 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.235 4.540 1.195 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.131 5.574 0.293 1.00 0.00 O ATOM 0 H TYR A 67 -9.068 1.889 3.894 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.391 -0.273 2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.727 1.728 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.613 0.776 4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.514 1.270 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.348 3.903 4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.326 3.114 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.168 5.747 2.692 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.226 5.949 0.328 1.00 0.00 H new ATOM 1074 N THR A 68 -8.802 -0.192 5.774 1.00 0.00 N ATOM 1075 CA THR A 68 -9.116 -0.987 6.954 1.00 0.00 C ATOM 1076 C THR A 68 -9.565 -2.392 6.567 1.00 0.00 C ATOM 1077 O THR A 68 -8.908 -3.379 6.901 1.00 0.00 O ATOM 1078 CB THR A 68 -10.218 -0.324 7.802 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.043 1.098 7.807 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.192 -0.848 9.230 1.00 0.00 C ATOM 0 H THR A 68 -9.315 0.687 5.709 1.00 0.00 H new ATOM 0 HA THR A 68 -8.202 -1.050 7.545 1.00 0.00 H new ATOM 0 HB THR A 68 -11.183 -0.570 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.748 1.512 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.979 -0.365 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.354 -1.926 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.224 -0.629 9.680 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.687 -2.475 5.861 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.224 -3.760 5.427 1.00 0.00 C ATOM 1090 C LEU A 69 -10.240 -4.480 4.511 1.00 0.00 C ATOM 1091 O LEU A 69 -10.014 -5.681 4.650 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.558 -3.560 4.706 1.00 0.00 C ATOM 1093 CG LEU A 69 -13.754 -3.207 5.591 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.741 -2.334 4.832 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.435 -4.470 6.097 1.00 0.00 C ATOM 0 H LEU A 69 -11.243 -1.668 5.577 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.385 -4.376 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.433 -2.769 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.793 -4.473 4.160 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.391 -2.645 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.585 -2.093 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.248 -1.413 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.098 -2.869 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.284 -4.199 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.784 -5.060 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.725 -5.057 6.680 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.658 -3.736 3.575 1.00 0.00 N ATOM 1108 CA GLU A 70 -8.697 -4.304 2.637 1.00 0.00 C ATOM 1109 C GLU A 70 -7.570 -5.019 3.378 1.00 0.00 C ATOM 1110 O GLU A 70 -7.373 -6.223 3.217 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.118 -3.208 1.740 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.331 -3.744 0.556 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.214 -4.423 -0.473 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.451 -4.277 -0.380 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.670 -5.100 -1.369 1.00 0.00 O ATOM 0 H GLU A 70 -9.835 -2.740 3.446 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.220 -5.032 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.932 -2.584 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.469 -2.567 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.792 -2.924 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.584 -4.453 0.912 1.00 0.00 H new ATOM 1122 N ALA A 71 -6.834 -4.267 4.190 1.00 0.00 N ATOM 1123 CA ALA A 71 -5.728 -4.828 4.956 1.00 0.00 C ATOM 1124 C ALA A 71 -6.185 -6.025 5.783 1.00 0.00 C ATOM 1125 O ALA A 71 -5.445 -6.995 5.951 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.118 -3.764 5.857 1.00 0.00 C ATOM 0 H ALA A 71 -6.984 -3.268 4.334 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.969 -5.173 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.293 -4.196 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.747 -2.940 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.876 -3.393 6.546 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.407 -5.950 6.298 1.00 0.00 N ATOM 1133 CA LYS A 72 -7.964 -7.028 7.108 1.00 0.00 C ATOM 1134 C LYS A 72 -8.093 -8.310 6.292 1.00 0.00 C ATOM 1135 O LYS A 72 -7.529 -9.344 6.649 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.332 -6.623 7.661 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.672 -7.285 8.985 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.019 -6.819 9.512 1.00 0.00 C ATOM 1139 CE LYS A 72 -10.903 -5.484 10.232 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.136 -5.161 11.003 1.00 0.00 N ATOM 0 H LYS A 72 -8.031 -5.154 6.169 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.284 -7.214 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.357 -5.541 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.100 -6.876 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.684 -8.368 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.896 -7.058 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.723 -6.728 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.423 -7.567 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.048 -5.509 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.712 -4.695 9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.017 -4.244 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.948 -5.112 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.305 -5.901 11.714 1.00 0.00 H new