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= -0.541 K(o=-0.54,f=-8.8!) 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+ -167:sc= -0.0205 (180deg=-0.204) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.921 USER MOD Single : A 37 THR OG1 : rot 47:sc= -0.114 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,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+ 159:sc= 0.604 (180deg=0.144) USER MOD Single : A 45 ASN : amide:sc= 0.262 K(o=0.26,f=-1.8!) USER MOD Single : A 49 SER OG : rot 51:sc= 0.206 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 179:sc= -0.553 (180deg=-0.558) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0126 (180deg=-0.195) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 146:sc= -0.242 (180deg=-3.31!) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.0679 USER MOD Single : A 68 THR OG1 : rot -179:sc= -0.806 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.082 -3.583 7.093 1.00 0.00 N ATOM 288 CA ASN A 23 -2.245 -3.074 7.810 1.00 0.00 C ATOM 289 C ASN A 23 -2.971 -2.014 6.987 1.00 0.00 C ATOM 290 O ASN A 23 -2.613 -1.751 5.840 1.00 0.00 O ATOM 291 CB ASN A 23 -1.822 -2.488 9.159 1.00 0.00 C ATOM 292 CG ASN A 23 -0.715 -1.461 9.021 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.941 -0.347 8.549 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.491 -1.834 9.434 1.00 0.00 N ATOM 0 HA ASN A 23 -2.928 -3.906 7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.685 -2.026 9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.488 -3.293 9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.276 -1.186 9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.632 -2.768 9.819 1.00 0.00 H new ATOM 301 N ALA A 24 -3.993 -1.408 7.583 1.00 0.00 N ATOM 302 CA ALA A 24 -4.768 -0.375 6.907 1.00 0.00 C ATOM 303 C ALA A 24 -3.884 0.802 6.508 1.00 0.00 C ATOM 304 O ALA A 24 -3.893 1.237 5.356 1.00 0.00 O ATOM 305 CB ALA A 24 -5.909 0.097 7.796 1.00 0.00 C ATOM 0 H ALA A 24 -4.303 -1.615 8.532 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.186 -0.807 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.479 0.868 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.563 -0.744 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.504 0.506 8.722 1.00 0.00 H new ATOM 311 N PHE A 25 -3.121 1.315 7.468 1.00 0.00 N ATOM 312 CA PHE A 25 -2.232 2.443 7.218 1.00 0.00 C ATOM 313 C PHE A 25 -1.249 2.123 6.096 1.00 0.00 C ATOM 314 O PHE A 25 -0.976 2.961 5.237 1.00 0.00 O ATOM 315 CB PHE A 25 -1.467 2.810 8.492 1.00 0.00 C ATOM 316 CG PHE A 25 -0.424 3.869 8.281 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.791 5.188 8.065 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.923 3.547 8.298 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.168 6.165 7.869 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.886 4.519 8.104 1.00 0.00 C ATOM 321 CZ PHE A 25 1.508 5.830 7.890 1.00 0.00 C ATOM 0 H PHE A 25 -3.101 0.967 8.427 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.842 3.293 6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.176 3.154 9.245 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.989 1.915 8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.837 5.456 8.050 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.225 2.523 8.465 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.130 7.189 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.933 4.254 8.120 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.259 6.592 7.739 1.00 0.00 H new ATOM 331 N MET A 26 -0.720 0.904 6.111 1.00 0.00 N ATOM 332 CA MET A 26 0.232 0.471 5.095 1.00 0.00 C ATOM 333 C MET A 26 -0.318 0.719 3.694 1.00 0.00 C ATOM 334 O MET A 26 0.390 1.214 2.816 1.00 0.00 O ATOM 335 CB MET A 26 0.561 -1.012 5.271 1.00 0.00 C ATOM 336 CG MET A 26 1.582 -1.282 6.364 1.00 0.00 C ATOM 337 SD MET A 26 3.121 -1.969 5.723 1.00 0.00 S ATOM 338 CE MET A 26 3.943 -2.439 7.244 1.00 0.00 C ATOM 0 H MET A 26 -0.935 0.198 6.816 1.00 0.00 H new ATOM 0 HA MET A 26 1.145 1.054 5.217 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.356 -1.555 5.500 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.938 -1.407 4.327 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.796 -0.353 6.893 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.156 -1.973 7.091 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.912 -2.881 7.012 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.086 -1.557 7.868 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.331 -3.166 7.779 1.00 0.00 H new ATOM 348 N LEU A 27 -1.584 0.372 3.491 1.00 0.00 N ATOM 349 CA LEU A 27 -2.230 0.556 2.195 1.00 0.00 C ATOM 350 C LEU A 27 -2.253 2.030 1.803 1.00 0.00 C ATOM 351 O LEU A 27 -2.196 2.370 0.621 1.00 0.00 O ATOM 352 CB LEU A 27 -3.656 0.004 2.231 1.00 0.00 C ATOM 353 CG LEU A 27 -4.165 -0.623 0.933 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.286 -1.796 0.526 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.612 -1.068 1.087 1.00 0.00 C ATOM 0 H LEU A 27 -2.184 -0.038 4.207 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.654 0.009 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.714 -0.745 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.331 0.814 2.509 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.119 0.130 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.664 -2.230 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.264 -1.449 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.300 -2.551 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.957 -1.512 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.683 -1.805 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.234 -0.206 1.331 1.00 0.00 H new ATOM 367 N PHE A 28 -2.334 2.902 2.803 1.00 0.00 N ATOM 368 CA PHE A 28 -2.363 4.340 2.563 1.00 0.00 C ATOM 369 C PHE A 28 -0.976 4.858 2.196 1.00 0.00 C ATOM 370 O PHE A 28 -0.771 5.400 1.111 1.00 0.00 O ATOM 371 CB PHE A 28 -2.884 5.074 3.801 1.00 0.00 C ATOM 372 CG PHE A 28 -2.671 6.560 3.749 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.506 7.124 4.244 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.636 7.393 3.207 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.307 8.491 4.198 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.442 8.761 3.158 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.277 9.311 3.655 1.00 0.00 C ATOM 0 H PHE A 28 -2.381 2.638 3.787 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.035 4.531 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.949 4.871 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.389 4.674 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.745 6.488 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.550 6.969 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.394 8.918 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.201 9.399 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.125 10.380 3.619 1.00 0.00 H new ATOM 387 N ALA A 29 -0.026 4.688 3.110 1.00 0.00 N ATOM 388 CA ALA A 29 1.342 5.136 2.883 1.00 0.00 C ATOM 389 C ALA A 29 1.907 4.545 1.596 1.00 0.00 C ATOM 390 O ALA A 29 2.767 5.144 0.951 1.00 0.00 O ATOM 391 CB ALA A 29 2.222 4.766 4.068 1.00 0.00 C ATOM 0 H ALA A 29 -0.179 4.243 4.015 1.00 0.00 H new ATOM 0 HA ALA A 29 1.330 6.221 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.241 5.107 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.837 5.242 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.219 3.684 4.199 1.00 0.00 H new ATOM 397 N LYS A 30 1.419 3.365 1.228 1.00 0.00 N ATOM 398 CA LYS A 30 1.874 2.692 0.018 1.00 0.00 C ATOM 399 C LYS A 30 1.222 3.299 -1.220 1.00 0.00 C ATOM 400 O LYS A 30 1.908 3.756 -2.135 1.00 0.00 O ATOM 401 CB LYS A 30 1.559 1.196 0.092 1.00 0.00 C ATOM 402 CG LYS A 30 2.109 0.399 -1.078 1.00 0.00 C ATOM 403 CD LYS A 30 2.106 -1.092 -0.788 1.00 0.00 C ATOM 404 CE LYS A 30 2.606 -1.893 -1.980 1.00 0.00 C ATOM 405 NZ LYS A 30 4.089 -1.840 -2.102 1.00 0.00 N ATOM 0 H LYS A 30 0.708 2.855 1.751 1.00 0.00 H new ATOM 0 HA LYS A 30 2.953 2.826 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.967 0.793 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.478 1.063 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.512 0.599 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.126 0.726 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.735 -1.296 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.096 -1.412 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.287 -2.930 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.153 -1.507 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.390 -2.398 -2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.392 -0.853 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.522 -2.232 -1.242 1.00 0.00 H new ATOM 419 N LYS A 31 -0.106 3.301 -1.243 1.00 0.00 N ATOM 420 CA LYS A 31 -0.852 3.854 -2.368 1.00 0.00 C ATOM 421 C LYS A 31 -0.489 5.318 -2.593 1.00 0.00 C ATOM 422 O LYS A 31 -0.604 5.832 -3.706 1.00 0.00 O ATOM 423 CB LYS A 31 -2.356 3.721 -2.123 1.00 0.00 C ATOM 424 CG LYS A 31 -3.207 4.338 -3.220 1.00 0.00 C ATOM 425 CD LYS A 31 -4.679 4.355 -2.841 1.00 0.00 C ATOM 426 CE LYS A 31 -5.229 2.946 -2.678 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.184 2.182 -3.956 1.00 0.00 N ATOM 0 H LYS A 31 -0.689 2.926 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.585 3.291 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.609 2.665 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.604 4.194 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.869 5.356 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.075 3.775 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.810 4.908 -1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.247 4.882 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.654 2.417 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.258 2.997 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.759 1.320 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.561 2.771 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.200 1.921 -4.170 1.00 0.00 H new ATOM 441 N TYR A 32 -0.051 5.984 -1.531 1.00 0.00 N ATOM 442 CA TYR A 32 0.327 7.390 -1.612 1.00 0.00 C ATOM 443 C TYR A 32 1.839 7.556 -1.487 1.00 0.00 C ATOM 444 O TYR A 32 2.344 8.672 -1.367 1.00 0.00 O ATOM 445 CB TYR A 32 -0.378 8.194 -0.518 1.00 0.00 C ATOM 446 CG TYR A 32 -1.830 8.485 -0.821 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.820 7.554 -0.531 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.213 9.689 -1.398 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.149 7.814 -0.806 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.539 9.959 -1.675 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.503 9.018 -1.378 1.00 0.00 C ATOM 452 OH TYR A 32 -5.825 9.283 -1.654 1.00 0.00 O ATOM 0 H TYR A 32 0.051 5.573 -0.603 1.00 0.00 H new ATOM 0 HA TYR A 32 0.018 7.767 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.315 7.646 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.150 9.136 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.546 6.610 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.461 10.427 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.906 7.079 -0.574 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.819 10.901 -2.122 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.903 10.174 -2.054 1.00 0.00 H new ATOM 462 N ARG A 33 2.554 6.437 -1.517 1.00 0.00 N ATOM 463 CA ARG A 33 4.008 6.456 -1.407 1.00 0.00 C ATOM 464 C ARG A 33 4.628 7.282 -2.531 1.00 0.00 C ATOM 465 O ARG A 33 5.204 8.343 -2.291 1.00 0.00 O ATOM 466 CB ARG A 33 4.563 5.031 -1.441 1.00 0.00 C ATOM 467 CG ARG A 33 5.940 4.898 -0.813 1.00 0.00 C ATOM 468 CD ARG A 33 7.043 5.111 -1.838 1.00 0.00 C ATOM 469 NE ARG A 33 8.356 4.746 -1.313 1.00 0.00 N ATOM 470 CZ ARG A 33 8.773 3.492 -1.183 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.983 2.487 -1.538 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.981 3.240 -0.697 1.00 0.00 N ATOM 0 H ARG A 33 2.151 5.505 -1.617 1.00 0.00 H new ATOM 0 HA ARG A 33 4.269 6.917 -0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.871 4.368 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.611 4.694 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.045 5.625 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.043 3.909 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.831 4.518 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.054 6.156 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 33 8.987 5.496 -1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.053 2.677 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.306 1.525 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.591 4.010 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.300 2.276 -0.598 1.00 0.00 H new ATOM 486 N VAL A 34 4.505 6.787 -3.758 1.00 0.00 N ATOM 487 CA VAL A 34 5.052 7.479 -4.919 1.00 0.00 C ATOM 488 C VAL A 34 4.375 8.829 -5.124 1.00 0.00 C ATOM 489 O VAL A 34 4.991 9.774 -5.616 1.00 0.00 O ATOM 490 CB VAL A 34 4.893 6.638 -6.200 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.422 6.458 -6.542 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.643 7.282 -7.356 1.00 0.00 C ATOM 0 H VAL A 34 4.032 5.910 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 34 6.113 7.634 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 34 5.323 5.652 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.330 5.862 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.917 5.949 -5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.963 7.434 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.520 6.675 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.245 8.281 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.702 7.353 -7.108 1.00 0.00 H new ATOM 502 N GLU A 35 3.105 8.912 -4.742 1.00 0.00 N ATOM 503 CA GLU A 35 2.344 10.148 -4.884 1.00 0.00 C ATOM 504 C GLU A 35 3.087 11.320 -4.250 1.00 0.00 C ATOM 505 O GLU A 35 3.050 12.441 -4.758 1.00 0.00 O ATOM 506 CB GLU A 35 0.962 9.999 -4.244 1.00 0.00 C ATOM 507 CG GLU A 35 0.100 8.933 -4.899 1.00 0.00 C ATOM 508 CD GLU A 35 0.181 8.965 -6.412 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.197 9.998 -7.004 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.622 7.959 -7.005 1.00 0.00 O ATOM 0 H GLU A 35 2.581 8.139 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 35 2.223 10.350 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.084 9.758 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.442 10.956 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.411 7.951 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.937 9.070 -4.592 1.00 0.00 H new ATOM 517 N TYR A 36 3.760 11.053 -3.136 1.00 0.00 N ATOM 518 CA TYR A 36 4.509 12.086 -2.430 1.00 0.00 C ATOM 519 C TYR A 36 5.975 12.080 -2.852 1.00 0.00 C ATOM 520 O TYR A 36 6.660 13.101 -2.776 1.00 0.00 O ATOM 521 CB TYR A 36 4.402 11.879 -0.918 1.00 0.00 C ATOM 522 CG TYR A 36 3.073 12.313 -0.340 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.886 11.727 -0.761 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.006 13.308 0.627 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.670 12.121 -0.237 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.795 13.707 1.158 1.00 0.00 C ATOM 527 CZ TYR A 36 0.630 13.111 0.723 1.00 0.00 C ATOM 528 OH TYR A 36 -0.579 13.505 1.249 1.00 0.00 O ATOM 0 H TYR A 36 3.802 10.131 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 36 4.078 13.053 -2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.560 10.824 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.201 12.434 -0.426 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.914 10.950 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.916 13.778 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.244 11.657 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.761 14.482 1.910 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.282 13.389 0.576 1.00 0.00 H new ATOM 538 N THR A 37 6.451 10.922 -3.299 1.00 0.00 N ATOM 539 CA THR A 37 7.835 10.781 -3.733 1.00 0.00 C ATOM 540 C THR A 37 8.144 11.717 -4.896 1.00 0.00 C ATOM 541 O THR A 37 9.277 12.170 -5.055 1.00 0.00 O ATOM 542 CB THR A 37 8.146 9.333 -4.157 1.00 0.00 C ATOM 543 OG1 THR A 37 7.646 8.417 -3.176 1.00 0.00 O ATOM 544 CG2 THR A 37 9.644 9.130 -4.331 1.00 0.00 C ATOM 0 H THR A 37 5.898 10.068 -3.370 1.00 0.00 H new ATOM 0 HA THR A 37 8.462 11.045 -2.881 1.00 0.00 H new ATOM 0 HB THR A 37 7.656 9.144 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.730 8.666 -2.932 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.839 8.100 -4.630 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.016 9.808 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.151 9.336 -3.388 1.00 0.00 H new ATOM 552 N GLN A 38 7.130 12.001 -5.706 1.00 0.00 N ATOM 553 CA GLN A 38 7.295 12.884 -6.855 1.00 0.00 C ATOM 554 C GLN A 38 6.882 14.311 -6.509 1.00 0.00 C ATOM 555 O GLN A 38 7.386 15.271 -7.091 1.00 0.00 O ATOM 556 CB GLN A 38 6.470 12.375 -8.039 1.00 0.00 C ATOM 557 CG GLN A 38 6.740 10.920 -8.388 1.00 0.00 C ATOM 558 CD GLN A 38 6.162 10.525 -9.732 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.872 10.022 -10.603 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.865 10.752 -9.908 1.00 0.00 N ATOM 0 H GLN A 38 6.186 11.633 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 38 8.350 12.887 -7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.411 12.495 -7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.681 12.994 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.816 10.746 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.318 10.280 -7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.314 11.171 -9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.420 10.507 -10.792 1.00 0.00 H new ATOM 569 N MET A 39 5.963 14.442 -5.559 1.00 0.00 N ATOM 570 CA MET A 39 5.484 15.752 -5.135 1.00 0.00 C ATOM 571 C MET A 39 6.518 16.452 -4.259 1.00 0.00 C ATOM 572 O MET A 39 6.597 17.681 -4.237 1.00 0.00 O ATOM 573 CB MET A 39 4.163 15.615 -4.374 1.00 0.00 C ATOM 574 CG MET A 39 2.936 15.688 -5.268 1.00 0.00 C ATOM 575 SD MET A 39 1.459 16.215 -4.379 1.00 0.00 S ATOM 576 CE MET A 39 0.763 14.632 -3.911 1.00 0.00 C ATOM 0 H MET A 39 5.535 13.657 -5.068 1.00 0.00 H new ATOM 0 HA MET A 39 5.320 16.357 -6.027 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.158 14.665 -3.840 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.103 16.403 -3.623 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.129 16.381 -6.087 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.757 14.709 -5.714 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.159 14.791 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.548 14.050 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.476 14.091 -3.289 1.00 0.00 H new ATOM 586 N TYR A 40 7.308 15.664 -3.540 1.00 0.00 N ATOM 587 CA TYR A 40 8.336 16.209 -2.660 1.00 0.00 C ATOM 588 C TYR A 40 9.666 15.491 -2.867 1.00 0.00 C ATOM 589 O TYR A 40 10.133 14.736 -2.014 1.00 0.00 O ATOM 590 CB TYR A 40 7.901 16.089 -1.199 1.00 0.00 C ATOM 591 CG TYR A 40 6.640 16.859 -0.877 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.395 16.388 -1.277 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.693 18.056 -0.175 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.240 17.087 -0.986 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.543 18.762 0.121 1.00 0.00 C ATOM 596 CZ TYR A 40 4.319 18.273 -0.286 1.00 0.00 C ATOM 597 OH TYR A 40 3.171 18.974 0.006 1.00 0.00 O ATOM 0 H TYR A 40 7.257 14.645 -3.549 1.00 0.00 H new ATOM 0 HA TYR A 40 8.470 17.262 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.745 15.037 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.708 16.445 -0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.330 15.460 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.650 18.442 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.280 16.707 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.602 19.691 0.668 1.00 0.00 H new ATOM 0 HH TYR A 40 3.401 19.786 0.504 1.00 0.00 H new ATOM 607 N PRO A 41 10.293 15.732 -4.029 1.00 0.00 N ATOM 608 CA PRO A 41 11.579 15.121 -4.376 1.00 0.00 C ATOM 609 C PRO A 41 12.726 15.664 -3.531 1.00 0.00 C ATOM 610 O PRO A 41 13.740 14.994 -3.339 1.00 0.00 O ATOM 611 CB PRO A 41 11.768 15.504 -5.846 1.00 0.00 C ATOM 612 CG PRO A 41 10.971 16.751 -6.018 1.00 0.00 C ATOM 613 CD PRO A 41 9.794 16.621 -5.092 1.00 0.00 C ATOM 0 HA PRO A 41 11.581 14.046 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.820 15.671 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.416 14.714 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.565 17.631 -5.772 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.644 16.866 -7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.486 17.588 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.929 16.194 -5.599 1.00 0.00 H new ATOM 621 N GLY A 42 12.559 16.884 -3.029 1.00 0.00 N ATOM 622 CA GLY A 42 13.589 17.496 -2.210 1.00 0.00 C ATOM 623 C GLY A 42 13.625 16.931 -0.804 1.00 0.00 C ATOM 624 O GLY A 42 14.665 16.949 -0.146 1.00 0.00 O ATOM 0 H GLY A 42 11.729 17.459 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.560 17.348 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.419 18.572 -2.162 1.00 0.00 H new ATOM 628 N LYS A 43 12.485 16.429 -0.341 1.00 0.00 N ATOM 629 CA LYS A 43 12.389 15.856 0.996 1.00 0.00 C ATOM 630 C LYS A 43 12.882 14.412 1.006 1.00 0.00 C ATOM 631 O LYS A 43 12.900 13.745 -0.029 1.00 0.00 O ATOM 632 CB LYS A 43 10.944 15.916 1.496 1.00 0.00 C ATOM 633 CG LYS A 43 10.516 17.299 1.956 1.00 0.00 C ATOM 634 CD LYS A 43 9.208 17.251 2.727 1.00 0.00 C ATOM 635 CE LYS A 43 8.876 18.600 3.346 1.00 0.00 C ATOM 636 NZ LYS A 43 8.113 19.468 2.407 1.00 0.00 N ATOM 0 H LYS A 43 11.615 16.408 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 43 13.022 16.442 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.279 15.586 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.825 15.215 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.294 17.731 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.406 17.953 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.402 16.948 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.274 16.496 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.294 18.449 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.798 19.103 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.606 20.200 2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.771 19.921 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.428 18.890 1.879 1.00 0.00 H new ATOM 650 N ASP A 44 13.278 13.936 2.181 1.00 0.00 N ATOM 651 CA ASP A 44 13.769 12.570 2.326 1.00 0.00 C ATOM 652 C ASP A 44 12.627 11.616 2.664 1.00 0.00 C ATOM 653 O ASP A 44 11.572 12.038 3.134 1.00 0.00 O ATOM 654 CB ASP A 44 14.844 12.504 3.412 1.00 0.00 C ATOM 655 CG ASP A 44 16.079 13.306 3.053 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.613 13.106 1.942 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.513 14.132 3.883 1.00 0.00 O ATOM 0 H ASP A 44 13.269 14.475 3.047 1.00 0.00 H new ATOM 0 HA ASP A 44 14.206 12.264 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.432 12.877 4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.125 11.464 3.578 1.00 0.00 H new ATOM 662 N ASN A 45 12.848 10.328 2.421 1.00 0.00 N ATOM 663 CA ASN A 45 11.837 9.314 2.698 1.00 0.00 C ATOM 664 C ASN A 45 11.331 9.428 4.133 1.00 0.00 C ATOM 665 O ASN A 45 10.129 9.346 4.387 1.00 0.00 O ATOM 666 CB ASN A 45 12.408 7.915 2.457 1.00 0.00 C ATOM 667 CG ASN A 45 13.829 7.775 2.967 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.780 8.211 2.317 1.00 0.00 O ATOM 669 ND2 ASN A 45 13.980 7.165 4.137 1.00 0.00 N ATOM 0 H ASN A 45 13.718 9.962 2.033 1.00 0.00 H new ATOM 0 HA ASN A 45 10.999 9.479 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.774 7.177 2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.385 7.695 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.913 7.042 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.163 6.819 4.641 1.00 0.00 H new ATOM 676 N ARG A 46 12.257 9.619 5.067 1.00 0.00 N ATOM 677 CA ARG A 46 11.905 9.744 6.477 1.00 0.00 C ATOM 678 C ARG A 46 10.881 10.856 6.685 1.00 0.00 C ATOM 679 O ARG A 46 10.056 10.791 7.596 1.00 0.00 O ATOM 680 CB ARG A 46 13.155 10.024 7.313 1.00 0.00 C ATOM 681 CG ARG A 46 12.942 9.840 8.807 1.00 0.00 C ATOM 682 CD ARG A 46 13.170 8.397 9.228 1.00 0.00 C ATOM 683 NE ARG A 46 14.591 8.065 9.297 1.00 0.00 N ATOM 684 CZ ARG A 46 15.058 6.943 9.833 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.222 6.050 10.344 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.365 6.713 9.859 1.00 0.00 N ATOM 0 H ARG A 46 13.256 9.691 4.873 1.00 0.00 H new ATOM 0 HA ARG A 46 11.463 8.802 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.957 9.363 6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.487 11.045 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.622 10.492 9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.928 10.141 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.710 8.226 10.201 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.676 7.731 8.521 1.00 0.00 H new ATOM 0 HE ARG A 46 15.261 8.731 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.217 6.224 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.584 5.189 10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.011 7.398 9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.723 5.851 10.271 1.00 0.00 H new ATOM 700 N ALA A 47 10.940 11.875 5.834 1.00 0.00 N ATOM 701 CA ALA A 47 10.018 13.000 5.924 1.00 0.00 C ATOM 702 C ALA A 47 8.692 12.678 5.243 1.00 0.00 C ATOM 703 O ALA A 47 7.622 12.969 5.778 1.00 0.00 O ATOM 704 CB ALA A 47 10.641 14.244 5.309 1.00 0.00 C ATOM 0 H ALA A 47 11.617 11.944 5.074 1.00 0.00 H new ATOM 0 HA ALA A 47 9.818 13.191 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.941 15.076 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.559 14.493 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.870 14.056 4.260 1.00 0.00 H new ATOM 710 N ILE A 48 8.770 12.078 4.060 1.00 0.00 N ATOM 711 CA ILE A 48 7.576 11.717 3.307 1.00 0.00 C ATOM 712 C ILE A 48 6.605 10.914 4.167 1.00 0.00 C ATOM 713 O ILE A 48 5.404 11.184 4.183 1.00 0.00 O ATOM 714 CB ILE A 48 7.928 10.898 2.051 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.880 11.689 1.151 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.664 10.521 1.293 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.273 12.960 0.599 1.00 0.00 C ATOM 0 H ILE A 48 9.648 11.832 3.603 1.00 0.00 H new ATOM 0 HA ILE A 48 7.102 12.650 3.002 1.00 0.00 H new ATOM 0 HB ILE A 48 8.429 9.981 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.777 11.940 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.193 11.055 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.929 9.943 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.018 9.924 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.138 11.426 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.004 13.469 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.392 12.715 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.985 13.613 1.423 1.00 0.00 H new ATOM 729 N SER A 49 7.134 9.927 4.883 1.00 0.00 N ATOM 730 CA SER A 49 6.315 9.084 5.745 1.00 0.00 C ATOM 731 C SER A 49 5.627 9.915 6.824 1.00 0.00 C ATOM 732 O SER A 49 4.444 9.727 7.108 1.00 0.00 O ATOM 733 CB SER A 49 7.172 7.995 6.394 1.00 0.00 C ATOM 734 OG SER A 49 8.518 8.418 6.526 1.00 0.00 O ATOM 0 H SER A 49 8.126 9.692 4.883 1.00 0.00 H new ATOM 0 HA SER A 49 5.549 8.614 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.768 7.746 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.130 7.087 5.792 1.00 0.00 H new ATOM 0 HG SER A 49 8.544 9.293 6.966 1.00 0.00 H new ATOM 740 N VAL A 50 6.377 10.835 7.421 1.00 0.00 N ATOM 741 CA VAL A 50 5.841 11.697 8.468 1.00 0.00 C ATOM 742 C VAL A 50 4.673 12.529 7.950 1.00 0.00 C ATOM 743 O VAL A 50 3.670 12.708 8.642 1.00 0.00 O ATOM 744 CB VAL A 50 6.922 12.641 9.027 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.347 13.521 10.125 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.112 11.843 9.539 1.00 0.00 C ATOM 0 H VAL A 50 7.358 11.003 7.198 1.00 0.00 H new ATOM 0 HA VAL A 50 5.492 11.044 9.268 1.00 0.00 H new ATOM 0 HB VAL A 50 7.267 13.288 8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.126 14.181 10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.530 14.119 9.721 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.972 12.895 10.935 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.866 12.525 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.785 11.170 10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.538 11.261 8.722 1.00 0.00 H new ATOM 756 N ILE A 51 4.810 13.036 6.729 1.00 0.00 N ATOM 757 CA ILE A 51 3.766 13.848 6.118 1.00 0.00 C ATOM 758 C ILE A 51 2.555 12.998 5.747 1.00 0.00 C ATOM 759 O ILE A 51 1.424 13.486 5.726 1.00 0.00 O ATOM 760 CB ILE A 51 4.279 14.569 4.857 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.477 15.456 5.203 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.166 15.394 4.229 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.267 15.902 3.992 1.00 0.00 C ATOM 0 H ILE A 51 5.634 12.898 6.144 1.00 0.00 H new ATOM 0 HA ILE A 51 3.472 14.592 6.858 1.00 0.00 H new ATOM 0 HB ILE A 51 4.602 13.820 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.124 16.336 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.138 14.913 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.544 15.897 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.340 14.739 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.816 16.137 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.101 16.527 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.650 15.028 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.620 16.473 3.326 1.00 0.00 H new ATOM 775 N LEU A 52 2.800 11.725 5.456 1.00 0.00 N ATOM 776 CA LEU A 52 1.729 10.806 5.087 1.00 0.00 C ATOM 777 C LEU A 52 0.815 10.529 6.277 1.00 0.00 C ATOM 778 O LEU A 52 -0.408 10.597 6.162 1.00 0.00 O ATOM 779 CB LEU A 52 2.315 9.493 4.564 1.00 0.00 C ATOM 780 CG LEU A 52 2.677 9.465 3.079 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.309 8.132 2.708 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.446 9.730 2.224 1.00 0.00 C ATOM 0 H LEU A 52 3.730 11.306 5.468 1.00 0.00 H new ATOM 0 HA LEU A 52 1.138 11.273 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.211 9.263 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.598 8.695 4.758 1.00 0.00 H new ATOM 0 HG LEU A 52 3.404 10.254 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.560 8.131 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.215 7.983 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.606 7.326 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.723 9.706 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.696 8.964 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.037 10.710 2.469 1.00 0.00 H new ATOM 794 N GLY A 53 1.418 10.219 7.421 1.00 0.00 N ATOM 795 CA GLY A 53 0.643 9.939 8.616 1.00 0.00 C ATOM 796 C GLY A 53 -0.333 11.050 8.947 1.00 0.00 C ATOM 797 O GLY A 53 -1.506 10.794 9.221 1.00 0.00 O ATOM 0 H GLY A 53 2.429 10.157 7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.095 9.007 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.320 9.791 9.458 1.00 0.00 H new ATOM 801 N ASP A 54 0.151 12.287 8.924 1.00 0.00 N ATOM 802 CA ASP A 54 -0.687 13.442 9.225 1.00 0.00 C ATOM 803 C ASP A 54 -1.958 13.426 8.381 1.00 0.00 C ATOM 804 O ASP A 54 -3.049 13.703 8.879 1.00 0.00 O ATOM 805 CB ASP A 54 0.086 14.738 8.980 1.00 0.00 C ATOM 806 CG ASP A 54 -0.425 15.887 9.827 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.078 15.941 11.025 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.174 16.732 9.291 1.00 0.00 O ATOM 0 H ASP A 54 1.119 12.516 8.700 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.970 13.390 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.142 14.574 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.013 15.007 7.926 1.00 0.00 H new ATOM 813 N ARG A 55 -1.808 13.101 7.101 1.00 0.00 N ATOM 814 CA ARG A 55 -2.943 13.051 6.188 1.00 0.00 C ATOM 815 C ARG A 55 -3.941 11.979 6.618 1.00 0.00 C ATOM 816 O ARG A 55 -5.150 12.142 6.454 1.00 0.00 O ATOM 817 CB ARG A 55 -2.465 12.775 4.761 1.00 0.00 C ATOM 818 CG ARG A 55 -1.811 13.975 4.095 1.00 0.00 C ATOM 819 CD ARG A 55 -2.679 14.535 2.980 1.00 0.00 C ATOM 820 NE ARG A 55 -2.197 15.832 2.510 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.941 16.683 1.813 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.194 16.378 1.506 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.431 17.844 1.421 1.00 0.00 N ATOM 0 H ARG A 55 -0.912 12.869 6.673 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.442 14.020 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.755 11.948 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.314 12.454 4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.628 14.750 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.841 13.685 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.698 13.832 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.705 14.636 3.335 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.237 16.098 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.590 15.487 1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.762 17.034 0.971 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.467 18.083 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.003 18.497 0.886 1.00 0.00 H new ATOM 837 N TRP A 56 -3.425 10.886 7.167 1.00 0.00 N ATOM 838 CA TRP A 56 -4.271 9.787 7.620 1.00 0.00 C ATOM 839 C TRP A 56 -5.088 10.196 8.840 1.00 0.00 C ATOM 840 O TRP A 56 -6.161 9.647 9.094 1.00 0.00 O ATOM 841 CB TRP A 56 -3.417 8.562 7.951 1.00 0.00 C ATOM 842 CG TRP A 56 -4.202 7.435 8.551 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.504 7.258 9.871 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.782 6.328 7.853 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.238 6.108 10.035 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.422 5.519 8.812 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.825 5.942 6.510 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.094 4.349 8.470 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.492 4.780 6.172 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.120 3.995 7.149 1.00 0.00 C ATOM 0 H TRP A 56 -2.426 10.736 7.309 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.959 9.535 6.813 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.929 8.212 7.041 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.628 8.855 8.644 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.209 7.924 10.669 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.589 5.751 10.924 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.345 6.541 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.578 3.742 9.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.530 4.471 5.138 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.635 3.093 6.853 1.00 0.00 H new ATOM 861 N LYS A 57 -4.576 11.164 9.592 1.00 0.00 N ATOM 862 CA LYS A 57 -5.260 11.649 10.786 1.00 0.00 C ATOM 863 C LYS A 57 -6.355 12.645 10.419 1.00 0.00 C ATOM 864 O LYS A 57 -7.331 12.809 11.152 1.00 0.00 O ATOM 865 CB LYS A 57 -4.259 12.305 11.740 1.00 0.00 C ATOM 866 CG LYS A 57 -2.986 11.500 11.934 1.00 0.00 C ATOM 867 CD LYS A 57 -2.351 11.776 13.287 1.00 0.00 C ATOM 868 CE LYS A 57 -1.955 13.238 13.428 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.878 13.425 14.439 1.00 0.00 N ATOM 0 H LYS A 57 -3.689 11.629 9.396 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.721 10.795 11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.000 13.293 11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.736 12.453 12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.210 10.437 11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.277 11.743 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.050 11.509 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.471 11.146 13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.618 13.618 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.828 13.825 13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.636 14.434 14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.208 13.086 15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.036 12.885 14.153 1.00 0.00 H new ATOM 883 N LYS A 58 -6.189 13.306 9.278 1.00 0.00 N ATOM 884 CA LYS A 58 -7.165 14.284 8.811 1.00 0.00 C ATOM 885 C LYS A 58 -8.386 13.592 8.214 1.00 0.00 C ATOM 886 O LYS A 58 -9.511 14.069 8.352 1.00 0.00 O ATOM 887 CB LYS A 58 -6.532 15.211 7.772 1.00 0.00 C ATOM 888 CG LYS A 58 -6.712 16.687 8.083 1.00 0.00 C ATOM 889 CD LYS A 58 -6.076 17.564 7.017 1.00 0.00 C ATOM 890 CE LYS A 58 -5.921 18.999 7.495 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.593 19.924 6.375 1.00 0.00 N ATOM 0 H LYS A 58 -5.387 13.182 8.659 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.487 14.876 9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.467 14.990 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.967 14.999 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.775 16.917 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.268 16.912 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.099 17.161 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.688 17.544 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.844 19.323 7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.135 19.048 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.495 20.892 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.699 19.630 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.355 19.897 5.668 1.00 0.00 H new ATOM 905 N MET A 59 -8.155 12.463 7.550 1.00 0.00 N ATOM 906 CA MET A 59 -9.237 11.704 6.934 1.00 0.00 C ATOM 907 C MET A 59 -10.306 11.349 7.962 1.00 0.00 C ATOM 908 O MET A 59 -10.141 11.598 9.157 1.00 0.00 O ATOM 909 CB MET A 59 -8.691 10.430 6.287 1.00 0.00 C ATOM 910 CG MET A 59 -8.242 10.623 4.848 1.00 0.00 C ATOM 911 SD MET A 59 -7.973 9.061 3.989 1.00 0.00 S ATOM 912 CE MET A 59 -6.575 8.409 4.900 1.00 0.00 C ATOM 0 H MET A 59 -7.229 12.054 7.425 1.00 0.00 H new ATOM 0 HA MET A 59 -9.692 12.327 6.164 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.849 10.066 6.876 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.460 9.658 6.319 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.993 11.203 4.312 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.320 11.204 4.834 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.301 7.434 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.730 9.091 4.807 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.843 8.305 5.951 1.00 0.00 H new ATOM 922 N LYS A 60 -11.403 10.765 7.491 1.00 0.00 N ATOM 923 CA LYS A 60 -12.499 10.374 8.369 1.00 0.00 C ATOM 924 C LYS A 60 -12.490 8.869 8.614 1.00 0.00 C ATOM 925 O LYS A 60 -11.620 8.155 8.117 1.00 0.00 O ATOM 926 CB LYS A 60 -13.840 10.796 7.763 1.00 0.00 C ATOM 927 CG LYS A 60 -13.871 12.242 7.301 1.00 0.00 C ATOM 928 CD LYS A 60 -15.264 12.836 7.421 1.00 0.00 C ATOM 929 CE LYS A 60 -15.218 14.355 7.492 1.00 0.00 C ATOM 930 NZ LYS A 60 -14.682 14.834 8.796 1.00 0.00 N ATOM 0 H LYS A 60 -11.556 10.552 6.505 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.364 10.880 9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.066 10.148 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.627 10.642 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.171 12.830 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.537 12.301 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.867 12.529 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.752 12.444 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.597 14.738 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.220 14.756 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.928 15.836 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.096 14.274 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.648 14.727 8.807 1.00 0.00 H new ATOM 944 N ASN A 61 -13.466 8.393 9.381 1.00 0.00 N ATOM 945 CA ASN A 61 -13.570 6.971 9.690 1.00 0.00 C ATOM 946 C ASN A 61 -13.880 6.163 8.434 1.00 0.00 C ATOM 947 O ASN A 61 -13.411 5.036 8.278 1.00 0.00 O ATOM 948 CB ASN A 61 -14.655 6.735 10.743 1.00 0.00 C ATOM 949 CG ASN A 61 -14.605 5.334 11.320 1.00 0.00 C ATOM 950 OD1 ASN A 61 -15.515 4.532 11.111 1.00 0.00 O ATOM 951 ND2 ASN A 61 -13.538 5.033 12.051 1.00 0.00 N ATOM 0 H ASN A 61 -14.195 8.970 9.800 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.610 6.639 10.086 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.540 7.461 11.548 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.634 6.906 10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.449 4.105 12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.808 5.730 12.198 1.00 0.00 H new ATOM 958 N GLU A 62 -14.673 6.747 7.541 1.00 0.00 N ATOM 959 CA GLU A 62 -15.046 6.081 6.299 1.00 0.00 C ATOM 960 C GLU A 62 -13.916 6.163 5.277 1.00 0.00 C ATOM 961 O GLU A 62 -13.642 5.200 4.561 1.00 0.00 O ATOM 962 CB GLU A 62 -16.318 6.705 5.721 1.00 0.00 C ATOM 963 CG GLU A 62 -16.183 8.187 5.415 1.00 0.00 C ATOM 964 CD GLU A 62 -17.482 8.805 4.936 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.316 8.067 4.369 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.666 10.025 5.127 1.00 0.00 O ATOM 0 H GLU A 62 -15.069 7.680 7.655 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.235 5.031 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.589 6.177 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.136 6.561 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.845 8.709 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.415 8.329 4.654 1.00 0.00 H new ATOM 973 N GLU A 63 -13.264 7.320 5.216 1.00 0.00 N ATOM 974 CA GLU A 63 -12.165 7.528 4.281 1.00 0.00 C ATOM 975 C GLU A 63 -11.059 6.500 4.504 1.00 0.00 C ATOM 976 O GLU A 63 -10.296 6.186 3.591 1.00 0.00 O ATOM 977 CB GLU A 63 -11.600 8.942 4.430 1.00 0.00 C ATOM 978 CG GLU A 63 -12.647 10.034 4.293 1.00 0.00 C ATOM 979 CD GLU A 63 -13.165 10.170 2.874 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.451 10.762 2.038 1.00 0.00 O ATOM 981 OE2 GLU A 63 -14.283 9.686 2.601 1.00 0.00 O ATOM 0 H GLU A 63 -13.478 8.127 5.802 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.553 7.405 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.120 9.031 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.826 9.096 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.481 9.819 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.220 10.984 4.613 1.00 0.00 H new ATOM 988 N ARG A 64 -10.979 5.981 5.725 1.00 0.00 N ATOM 989 CA ARG A 64 -9.966 4.990 6.069 1.00 0.00 C ATOM 990 C ARG A 64 -10.531 3.577 5.965 1.00 0.00 C ATOM 991 O ARG A 64 -9.789 2.614 5.768 1.00 0.00 O ATOM 992 CB ARG A 64 -9.441 5.238 7.484 1.00 0.00 C ATOM 993 CG ARG A 64 -8.787 6.599 7.662 1.00 0.00 C ATOM 994 CD ARG A 64 -8.443 6.866 9.119 1.00 0.00 C ATOM 995 NE ARG A 64 -9.614 7.269 9.892 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.582 7.527 11.195 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.443 7.423 11.866 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.690 7.889 11.829 1.00 0.00 N ATOM 0 H ARG A 64 -11.603 6.230 6.492 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.143 5.087 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.266 5.146 8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.719 4.462 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.881 6.650 7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.458 7.377 7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.009 5.968 9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.685 7.647 9.175 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.506 7.357 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.589 7.145 11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.420 7.621 12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.568 7.970 11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.664 8.087 12.829 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.848 3.460 6.098 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.511 2.164 6.021 1.00 0.00 C ATOM 1014 C ARG A 65 -12.107 1.421 4.751 1.00 0.00 C ATOM 1015 O ARG A 65 -11.920 0.204 4.765 1.00 0.00 O ATOM 1016 CB ARG A 65 -14.030 2.342 6.058 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.776 1.111 6.548 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.269 1.375 6.668 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.939 0.366 7.483 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.258 0.211 7.523 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.044 0.996 6.798 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.794 -0.730 8.290 1.00 0.00 N ATOM 0 H ARG A 65 -12.477 4.247 6.260 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.199 1.573 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.273 3.185 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.382 2.596 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.606 0.283 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.380 0.806 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.429 2.360 7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.715 1.393 5.674 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.363 -0.254 8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.636 1.721 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.056 0.875 6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.193 -1.335 8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.807 -0.848 8.320 1.00 0.00 H new ATOM 1036 N MET A 66 -11.974 2.161 3.655 1.00 0.00 N ATOM 1037 CA MET A 66 -11.591 1.572 2.377 1.00 0.00 C ATOM 1038 C MET A 66 -10.327 0.730 2.524 1.00 0.00 C ATOM 1039 O MET A 66 -10.154 -0.272 1.830 1.00 0.00 O ATOM 1040 CB MET A 66 -11.371 2.667 1.332 1.00 0.00 C ATOM 1041 CG MET A 66 -10.311 3.682 1.730 1.00 0.00 C ATOM 1042 SD MET A 66 -10.316 5.142 0.672 1.00 0.00 S ATOM 1043 CE MET A 66 -11.954 5.789 0.996 1.00 0.00 C ATOM 0 H MET A 66 -12.126 3.169 3.626 1.00 0.00 H new ATOM 0 HA MET A 66 -12.402 0.923 2.046 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.083 2.204 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.313 3.187 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.475 3.987 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.329 3.211 1.688 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.930 6.878 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.649 5.414 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.282 5.470 1.985 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.448 1.144 3.429 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.199 0.430 3.664 1.00 0.00 C ATOM 1055 C TYR A 67 -8.335 -0.533 4.839 1.00 0.00 C ATOM 1056 O TYR A 67 -7.722 -1.601 4.857 1.00 0.00 O ATOM 1057 CB TYR A 67 -7.063 1.420 3.929 1.00 0.00 C ATOM 1058 CG TYR A 67 -7.034 2.582 2.963 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.577 2.417 1.661 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.465 3.845 3.351 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.548 3.477 0.775 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.441 4.909 2.471 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.981 4.720 1.184 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.955 5.778 0.304 1.00 0.00 O ATOM 0 H TYR A 67 -9.577 1.971 4.012 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.966 -0.148 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.158 1.805 4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.112 0.891 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.239 1.444 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.825 3.997 4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.188 3.332 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.780 5.884 2.788 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.872 6.020 0.057 1.00 0.00 H new ATOM 1074 N THR A 68 -9.144 -0.148 5.821 1.00 0.00 N ATOM 1075 CA THR A 68 -9.361 -0.975 7.001 1.00 0.00 C ATOM 1076 C THR A 68 -9.870 -2.359 6.616 1.00 0.00 C ATOM 1077 O THR A 68 -9.199 -3.365 6.851 1.00 0.00 O ATOM 1078 CB THR A 68 -10.367 -0.321 7.968 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.221 1.103 7.937 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.160 -0.827 9.387 1.00 0.00 C ATOM 0 H THR A 68 -9.660 0.732 5.822 1.00 0.00 H new ATOM 0 HA THR A 68 -8.397 -1.071 7.501 1.00 0.00 H new ATOM 0 HB THR A 68 -11.374 -0.589 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.854 1.510 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.881 -0.352 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.301 -1.908 9.412 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.149 -0.585 9.716 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.057 -2.404 6.023 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.656 -3.667 5.604 1.00 0.00 C ATOM 1090 C LEU A 69 -10.806 -4.343 4.533 1.00 0.00 C ATOM 1091 O LEU A 69 -10.579 -5.551 4.580 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.072 -3.432 5.075 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.134 -3.100 6.124 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.213 -2.209 5.528 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.744 -4.375 6.687 1.00 0.00 C ATOM 0 H LEU A 69 -11.624 -1.581 5.821 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.704 -4.324 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.037 -2.617 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.389 -4.324 4.535 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.655 -2.559 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.960 -1.983 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.764 -1.281 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.689 -2.723 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.498 -4.120 7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.208 -4.943 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.964 -4.977 7.152 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.339 -3.555 3.570 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.513 -4.078 2.488 1.00 0.00 C ATOM 1109 C GLU A 70 -8.310 -4.837 3.041 1.00 0.00 C ATOM 1110 O GLU A 70 -8.124 -6.020 2.757 1.00 0.00 O ATOM 1111 CB GLU A 70 -9.040 -2.941 1.581 1.00 0.00 C ATOM 1112 CG GLU A 70 -8.101 -3.394 0.476 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.767 -4.340 -0.504 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.344 -3.853 -1.500 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.713 -5.566 -0.276 1.00 0.00 O ATOM 0 H GLU A 70 -10.518 -2.552 3.517 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.120 -4.769 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.909 -2.460 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.537 -2.189 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.731 -2.521 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.235 -3.886 0.919 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.495 -4.146 3.832 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.310 -4.754 4.425 1.00 0.00 C ATOM 1124 C ALA A 71 -6.688 -5.916 5.338 1.00 0.00 C ATOM 1125 O ALA A 71 -5.900 -6.839 5.544 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.513 -3.712 5.196 1.00 0.00 C ATOM 0 H ALA A 71 -7.634 -3.166 4.077 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.690 -5.146 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.631 -4.179 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.204 -2.916 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.133 -3.293 5.989 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.898 -5.864 5.883 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.382 -6.912 6.774 1.00 0.00 C ATOM 1134 C LYS A 72 -8.477 -8.247 6.042 1.00 0.00 C ATOM 1135 O LYS A 72 -7.843 -9.227 6.433 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.750 -6.534 7.345 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.125 -7.312 8.594 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.620 -7.257 8.859 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.000 -6.017 9.653 1.00 0.00 C ATOM 1140 NZ LYS A 72 -11.921 -6.253 11.121 1.00 0.00 N ATOM 0 H LYS A 72 -8.562 -5.107 5.723 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.670 -7.015 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.756 -5.469 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.511 -6.699 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.812 -8.350 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.588 -6.906 9.451 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.159 -7.263 7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.927 -8.149 9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.338 -5.195 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.012 -5.712 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.187 -5.384 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.571 -7.021 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.949 -6.519 11.378 1.00 0.00 H new