USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 180:sc= 0.136 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -4.05! C(o=-3.9!,f=-4.1!) USER MOD Set 2.1: A 42 MET CE :methyl 168:sc= -1.56 (180deg=-1.79!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.193 K(o=-1.7,f=-3) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0991) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -105:sc= -0.374 (180deg=-2.53) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= 0.622 (180deg=-0.248) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.7!) USER MOD Single : A 68 ASN : amide:sc= -3.08 K(o=-3.1,f=-4.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.135 USER MOD Single : A 78 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.38) USER MOD Single : A 80 GLN : amide:sc= -5.13! C(o=-5.1!,f=-4.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.014) USER MOD Single : A 85 SER OG : rot 93:sc= 0.83 USER MOD Single : A 86 SER OG : rot 180:sc= -0.247 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 94 SER OG : rot -52:sc= -0.87 USER MOD Single : A 99 CYS SG : rot 150:sc= -5.73! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl -102:sc= -0.017 (180deg=-0.546) USER MOD Single : A 109 THR OG1 : rot -130:sc= -0.0815 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-4.3!) USER MOD Single : A 113 GLN : amide:sc= -1.51 K(o=-1.5,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 0.116 4.597 -12.935 1.00 0.00 N ATOM 299 CA LEU A 24 0.101 4.538 -11.484 1.00 0.00 C ATOM 300 C LEU A 24 -1.340 4.361 -11.000 1.00 0.00 C ATOM 301 O LEU A 24 -2.210 5.169 -11.322 1.00 0.00 O ATOM 302 CB LEU A 24 0.804 5.760 -10.890 1.00 0.00 C ATOM 303 CG LEU A 24 1.801 5.479 -9.764 1.00 0.00 C ATOM 304 CD1 LEU A 24 3.232 5.418 -10.302 1.00 0.00 C ATOM 305 CD2 LEU A 24 1.656 6.502 -8.635 1.00 0.00 C ATOM 0 HA LEU A 24 0.664 3.674 -11.132 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.329 6.278 -11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.044 6.444 -10.513 1.00 0.00 H new ATOM 0 HG LEU A 24 1.573 4.500 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.921 5.217 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.308 4.622 -11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.488 6.371 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.376 6.279 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.842 7.503 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.646 6.453 -8.227 1.00 0.00 H new ATOM 317 N VAL A 25 -1.548 3.300 -10.234 1.00 0.00 N ATOM 318 CA VAL A 25 -2.868 3.008 -9.703 1.00 0.00 C ATOM 319 C VAL A 25 -2.743 2.603 -8.233 1.00 0.00 C ATOM 320 O VAL A 25 -2.459 1.446 -7.925 1.00 0.00 O ATOM 321 CB VAL A 25 -3.552 1.941 -10.560 1.00 0.00 C ATOM 322 CG1 VAL A 25 -4.937 1.598 -10.007 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.641 2.386 -12.021 1.00 0.00 C ATOM 0 H VAL A 25 -0.824 2.632 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.501 3.894 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.942 1.038 -10.520 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.401 0.837 -10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.839 1.219 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.559 2.493 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.131 1.610 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.218 3.309 -12.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.638 2.557 -12.411 1.00 0.00 H new ATOM 333 N VAL A 26 -2.961 3.578 -7.363 1.00 0.00 N ATOM 334 CA VAL A 26 -2.877 3.338 -5.932 1.00 0.00 C ATOM 335 C VAL A 26 -4.207 2.768 -5.436 1.00 0.00 C ATOM 336 O VAL A 26 -5.258 3.374 -5.632 1.00 0.00 O ATOM 337 CB VAL A 26 -2.471 4.624 -5.209 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.468 4.422 -3.692 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.110 5.122 -5.699 1.00 0.00 C ATOM 0 H VAL A 26 -3.196 4.536 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.105 2.600 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.211 5.389 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.176 5.351 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.466 4.135 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.760 3.636 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.845 6.037 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.354 4.360 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.160 5.324 -6.769 1.00 0.00 H new ATOM 349 N PHE A 27 -4.116 1.607 -4.803 1.00 0.00 N ATOM 350 CA PHE A 27 -5.299 0.948 -4.277 1.00 0.00 C ATOM 351 C PHE A 27 -5.202 0.775 -2.760 1.00 0.00 C ATOM 352 O PHE A 27 -4.388 -0.007 -2.271 1.00 0.00 O ATOM 353 CB PHE A 27 -5.370 -0.433 -4.932 1.00 0.00 C ATOM 354 CG PHE A 27 -6.444 -1.349 -4.339 1.00 0.00 C ATOM 355 CD1 PHE A 27 -6.143 -2.159 -3.290 1.00 0.00 C ATOM 356 CD2 PHE A 27 -7.699 -1.351 -4.863 1.00 0.00 C ATOM 357 CE1 PHE A 27 -7.139 -3.009 -2.740 1.00 0.00 C ATOM 358 CE2 PHE A 27 -8.696 -2.201 -4.313 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.395 -3.011 -3.264 1.00 0.00 C ATOM 0 H PHE A 27 -3.242 1.107 -4.643 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.184 1.547 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.561 -0.309 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.399 -0.919 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.146 -2.156 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.938 -0.707 -5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.900 -3.653 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.693 -2.203 -4.729 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.153 -3.657 -2.846 1.00 0.00 H new ATOM 369 N ILE A 28 -6.044 1.518 -2.057 1.00 0.00 N ATOM 370 CA ILE A 28 -6.064 1.458 -0.605 1.00 0.00 C ATOM 371 C ILE A 28 -6.829 0.209 -0.161 1.00 0.00 C ATOM 372 O ILE A 28 -7.876 -0.113 -0.721 1.00 0.00 O ATOM 373 CB ILE A 28 -6.619 2.759 -0.022 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.700 3.940 -0.344 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.871 2.622 1.481 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.046 5.155 0.519 1.00 0.00 C ATOM 0 H ILE A 28 -6.718 2.165 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.051 1.368 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.581 2.962 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.662 3.654 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.792 4.200 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.265 3.560 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.592 1.824 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.935 2.384 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.378 5.980 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.077 5.453 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.929 4.899 1.572 1.00 0.00 H new ATOM 388 N LEU A 29 -6.277 -0.459 0.841 1.00 0.00 N ATOM 389 CA LEU A 29 -6.894 -1.665 1.366 1.00 0.00 C ATOM 390 C LEU A 29 -7.656 -1.325 2.649 1.00 0.00 C ATOM 391 O LEU A 29 -7.047 -1.072 3.687 1.00 0.00 O ATOM 392 CB LEU A 29 -5.849 -2.768 1.545 1.00 0.00 C ATOM 393 CG LEU A 29 -6.331 -4.043 2.240 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.036 -4.973 1.251 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.179 -4.742 2.963 1.00 0.00 C ATOM 0 H LEU A 29 -5.409 -0.188 1.303 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.622 -2.060 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.463 -3.038 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.014 -2.361 2.115 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.064 -3.764 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.369 -5.872 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.898 -4.462 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.345 -5.249 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.549 -5.645 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.405 -5.008 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.761 -4.072 3.714 1.00 0.00 H new ATOM 407 N GLU A 30 -8.976 -1.332 2.535 1.00 0.00 N ATOM 408 CA GLU A 30 -9.827 -1.028 3.673 1.00 0.00 C ATOM 409 C GLU A 30 -9.261 -1.664 4.944 1.00 0.00 C ATOM 410 O GLU A 30 -9.046 -0.978 5.943 1.00 0.00 O ATOM 411 CB GLU A 30 -11.264 -1.490 3.422 1.00 0.00 C ATOM 412 CG GLU A 30 -12.205 -0.968 4.509 1.00 0.00 C ATOM 413 CD GLU A 30 -12.759 -2.118 5.353 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.868 -3.231 4.794 1.00 0.00 O ATOM 415 OE2 GLU A 30 -13.061 -1.858 6.538 1.00 0.00 O ATOM 0 H GLU A 30 -9.477 -1.543 1.672 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.846 0.053 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.598 -1.137 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.301 -2.579 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.672 -0.266 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.028 -0.420 4.050 1.00 0.00 H new ATOM 422 N LYS A 31 -9.034 -2.967 4.865 1.00 0.00 N ATOM 423 CA LYS A 31 -8.497 -3.703 5.997 1.00 0.00 C ATOM 424 C LYS A 31 -7.494 -2.821 6.744 1.00 0.00 C ATOM 425 O LYS A 31 -6.519 -2.352 6.159 1.00 0.00 O ATOM 426 CB LYS A 31 -7.916 -5.042 5.538 1.00 0.00 C ATOM 427 CG LYS A 31 -9.028 -6.058 5.268 1.00 0.00 C ATOM 428 CD LYS A 31 -9.130 -6.374 3.774 1.00 0.00 C ATOM 429 CE LYS A 31 -10.401 -7.169 3.468 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.376 -8.475 4.163 1.00 0.00 N ATOM 0 H LYS A 31 -9.212 -3.532 4.035 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.291 -3.951 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.325 -4.895 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.241 -5.430 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.832 -6.974 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.980 -5.665 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.130 -5.446 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.256 -6.943 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.277 -6.601 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.490 -7.324 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.195 -9.043 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.499 -8.980 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.416 -8.322 5.191 1.00 0.00 H new ATOM 444 N LYS A 32 -7.769 -2.621 8.024 1.00 0.00 N ATOM 445 CA LYS A 32 -6.903 -1.804 8.857 1.00 0.00 C ATOM 446 C LYS A 32 -7.065 -0.334 8.464 1.00 0.00 C ATOM 447 O LYS A 32 -6.083 0.344 8.166 1.00 0.00 O ATOM 448 CB LYS A 32 -5.460 -2.305 8.783 1.00 0.00 C ATOM 449 CG LYS A 32 -5.378 -3.795 9.125 1.00 0.00 C ATOM 450 CD LYS A 32 -4.532 -4.024 10.379 1.00 0.00 C ATOM 451 CE LYS A 32 -5.359 -3.803 11.647 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.782 -4.558 12.781 1.00 0.00 N ATOM 0 H LYS A 32 -8.580 -3.011 8.505 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.191 -1.888 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.063 -2.136 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.838 -1.735 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.381 -4.192 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.947 -4.341 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.134 -5.039 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.678 -3.346 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.389 -2.740 11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.388 -4.121 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.356 -4.397 13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.776 -5.573 12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.808 -4.236 12.953 1.00 0.00 H new ATOM 466 N MET A 33 -8.311 0.115 8.477 1.00 0.00 N ATOM 467 CA MET A 33 -8.614 1.493 8.126 1.00 0.00 C ATOM 468 C MET A 33 -10.121 1.749 8.164 1.00 0.00 C ATOM 469 O MET A 33 -10.611 2.469 9.033 1.00 0.00 O ATOM 470 CB MET A 33 -8.079 1.791 6.724 1.00 0.00 C ATOM 471 CG MET A 33 -7.584 3.235 6.622 1.00 0.00 C ATOM 472 SD MET A 33 -5.800 3.266 6.573 1.00 0.00 S ATOM 473 CE MET A 33 -5.529 2.812 4.868 1.00 0.00 C ATOM 0 H MET A 33 -9.123 -0.450 8.725 1.00 0.00 H new ATOM 0 HA MET A 33 -8.136 2.148 8.854 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.264 1.106 6.488 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.864 1.619 5.987 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.989 3.705 5.726 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.943 3.812 7.474 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.187 1.778 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.461 2.914 4.312 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.773 3.466 4.433 1.00 0.00 H new ATOM 483 N GLY A 34 -10.816 1.147 7.210 1.00 0.00 N ATOM 484 CA GLY A 34 -12.258 1.301 7.123 1.00 0.00 C ATOM 485 C GLY A 34 -12.662 1.941 5.793 1.00 0.00 C ATOM 486 O GLY A 34 -11.902 1.905 4.827 1.00 0.00 O ATOM 0 H GLY A 34 -10.407 0.551 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.738 0.327 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.612 1.917 7.950 1.00 0.00 H new ATOM 490 N THR A 35 -13.858 2.511 5.787 1.00 0.00 N ATOM 491 CA THR A 35 -14.372 3.158 4.591 1.00 0.00 C ATOM 492 C THR A 35 -13.995 4.640 4.583 1.00 0.00 C ATOM 493 O THR A 35 -13.438 5.137 3.605 1.00 0.00 O ATOM 494 CB THR A 35 -15.881 2.914 4.534 1.00 0.00 C ATOM 495 OG1 THR A 35 -16.000 1.500 4.406 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.514 3.458 3.251 1.00 0.00 C ATOM 0 H THR A 35 -14.486 2.538 6.590 1.00 0.00 H new ATOM 0 HA THR A 35 -13.926 2.737 3.690 1.00 0.00 H new ATOM 0 HB THR A 35 -16.356 3.377 5.399 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.948 1.254 4.364 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.586 3.259 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.345 4.533 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.062 2.970 2.387 1.00 0.00 H new ATOM 504 N THR A 36 -14.314 5.305 5.684 1.00 0.00 N ATOM 505 CA THR A 36 -14.016 6.721 5.816 1.00 0.00 C ATOM 506 C THR A 36 -12.583 7.009 5.364 1.00 0.00 C ATOM 507 O THR A 36 -12.368 7.618 4.317 1.00 0.00 O ATOM 508 CB THR A 36 -14.290 7.129 7.264 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.701 6.987 7.404 1.00 0.00 O ATOM 510 CG2 THR A 36 -14.039 8.618 7.511 1.00 0.00 C ATOM 0 H THR A 36 -14.776 4.889 6.493 1.00 0.00 H new ATOM 0 HA THR A 36 -14.654 7.321 5.168 1.00 0.00 H new ATOM 0 HB THR A 36 -13.662 6.540 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.965 7.230 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.249 8.854 8.554 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.998 8.854 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.691 9.209 6.867 1.00 0.00 H new ATOM 518 N ARG A 37 -11.638 6.557 6.176 1.00 0.00 N ATOM 519 CA ARG A 37 -10.232 6.758 5.874 1.00 0.00 C ATOM 520 C ARG A 37 -9.916 6.262 4.461 1.00 0.00 C ATOM 521 O ARG A 37 -9.460 7.031 3.617 1.00 0.00 O ATOM 522 CB ARG A 37 -9.342 6.021 6.876 1.00 0.00 C ATOM 523 CG ARG A 37 -8.779 6.985 7.923 1.00 0.00 C ATOM 524 CD ARG A 37 -7.318 6.659 8.239 1.00 0.00 C ATOM 525 NE ARG A 37 -6.887 7.392 9.451 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.495 8.673 9.454 1.00 0.00 C ATOM 527 NH1 ARG A 37 -6.477 9.371 8.310 1.00 0.00 N ATOM 528 NH2 ARG A 37 -6.121 9.256 10.601 1.00 0.00 N ATOM 0 H ARG A 37 -11.820 6.052 7.043 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.028 7.827 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.916 5.237 7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.523 5.532 6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.856 8.009 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.374 6.926 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.201 5.586 8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.685 6.932 7.395 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.889 6.890 10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.762 8.927 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.179 10.346 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.135 8.724 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.822 10.231 10.604 1.00 0.00 H new ATOM 542 N ARG A 38 -10.173 4.980 4.248 1.00 0.00 N ATOM 543 CA ARG A 38 -9.923 4.372 2.952 1.00 0.00 C ATOM 544 C ARG A 38 -10.313 5.335 1.829 1.00 0.00 C ATOM 545 O ARG A 38 -9.486 5.682 0.988 1.00 0.00 O ATOM 546 CB ARG A 38 -10.709 3.069 2.793 1.00 0.00 C ATOM 547 CG ARG A 38 -10.708 2.602 1.336 1.00 0.00 C ATOM 548 CD ARG A 38 -11.139 1.138 1.230 1.00 0.00 C ATOM 549 NE ARG A 38 -10.720 0.580 -0.076 1.00 0.00 N ATOM 550 CZ ARG A 38 -11.289 -0.486 -0.655 1.00 0.00 C ATOM 551 NH1 ARG A 38 -12.304 -1.116 -0.048 1.00 0.00 N ATOM 552 NH2 ARG A 38 -10.843 -0.921 -1.841 1.00 0.00 N ATOM 0 H ARG A 38 -10.552 4.345 4.951 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.858 4.150 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.272 2.297 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.735 3.215 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.382 3.227 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.711 2.723 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.695 0.560 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.221 1.060 1.338 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.950 1.036 -0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.643 -0.784 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.737 -1.927 -0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.071 -0.441 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.276 -1.732 -2.282 1.00 0.00 H new ATOM 566 N ALA A 39 -11.575 5.739 1.852 1.00 0.00 N ATOM 567 CA ALA A 39 -12.085 6.655 0.847 1.00 0.00 C ATOM 568 C ALA A 39 -11.316 7.975 0.928 1.00 0.00 C ATOM 569 O ALA A 39 -10.774 8.445 -0.071 1.00 0.00 O ATOM 570 CB ALA A 39 -13.591 6.845 1.045 1.00 0.00 C ATOM 0 H ALA A 39 -12.259 5.449 2.551 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.936 6.248 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.973 7.533 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.095 5.883 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.779 7.255 2.038 1.00 0.00 H new ATOM 576 N LEU A 40 -11.293 8.537 2.128 1.00 0.00 N ATOM 577 CA LEU A 40 -10.599 9.794 2.353 1.00 0.00 C ATOM 578 C LEU A 40 -9.235 9.749 1.661 1.00 0.00 C ATOM 579 O LEU A 40 -9.026 10.417 0.650 1.00 0.00 O ATOM 580 CB LEU A 40 -10.520 10.101 3.850 1.00 0.00 C ATOM 581 CG LEU A 40 -9.490 11.154 4.264 1.00 0.00 C ATOM 582 CD1 LEU A 40 -8.091 10.542 4.363 1.00 0.00 C ATOM 583 CD2 LEU A 40 -9.524 12.357 3.320 1.00 0.00 C ATOM 0 H LEU A 40 -11.744 8.145 2.955 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.154 10.621 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.503 10.431 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.297 9.175 4.380 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.754 11.518 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.378 11.311 4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.094 9.745 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.803 10.133 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.782 13.090 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.299 12.029 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.515 12.810 3.344 1.00 0.00 H new ATOM 595 N LEU A 41 -8.342 8.955 2.234 1.00 0.00 N ATOM 596 CA LEU A 41 -7.004 8.814 1.685 1.00 0.00 C ATOM 597 C LEU A 41 -7.089 8.734 0.160 1.00 0.00 C ATOM 598 O LEU A 41 -6.496 9.551 -0.542 1.00 0.00 O ATOM 599 CB LEU A 41 -6.285 7.625 2.325 1.00 0.00 C ATOM 600 CG LEU A 41 -5.563 7.907 3.644 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.885 9.278 3.615 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.517 7.764 4.832 1.00 0.00 C ATOM 0 H LEU A 41 -8.519 8.403 3.073 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.399 9.689 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.015 6.834 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.557 7.239 1.611 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.777 7.162 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.379 9.454 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.156 9.307 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.636 10.052 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.979 7.970 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.339 8.471 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.913 6.749 4.860 1.00 0.00 H new ATOM 614 N MET A 42 -7.832 7.742 -0.308 1.00 0.00 N ATOM 615 CA MET A 42 -8.003 7.544 -1.737 1.00 0.00 C ATOM 616 C MET A 42 -8.342 8.862 -2.437 1.00 0.00 C ATOM 617 O MET A 42 -7.857 9.130 -3.535 1.00 0.00 O ATOM 618 CB MET A 42 -9.124 6.533 -1.983 1.00 0.00 C ATOM 619 CG MET A 42 -8.642 5.105 -1.718 1.00 0.00 C ATOM 620 SD MET A 42 -10.022 4.071 -1.257 1.00 0.00 S ATOM 621 CE MET A 42 -11.262 4.689 -2.382 1.00 0.00 C ATOM 0 H MET A 42 -8.323 7.066 0.278 1.00 0.00 H new ATOM 0 HA MET A 42 -7.066 7.167 -2.146 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.972 6.760 -1.337 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.475 6.617 -3.011 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.158 4.704 -2.609 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.896 5.106 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.121 4.018 -2.381 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.578 5.683 -2.065 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.846 4.744 -3.388 1.00 0.00 H new ATOM 631 N GLU A 43 -9.173 9.652 -1.771 1.00 0.00 N ATOM 632 CA GLU A 43 -9.582 10.935 -2.315 1.00 0.00 C ATOM 633 C GLU A 43 -8.420 11.929 -2.263 1.00 0.00 C ATOM 634 O GLU A 43 -8.263 12.753 -3.163 1.00 0.00 O ATOM 635 CB GLU A 43 -10.804 11.481 -1.572 1.00 0.00 C ATOM 636 CG GLU A 43 -10.796 13.010 -1.553 1.00 0.00 C ATOM 637 CD GLU A 43 -12.160 13.561 -1.131 1.00 0.00 C ATOM 638 OE1 GLU A 43 -13.163 13.102 -1.718 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.167 14.428 -0.230 1.00 0.00 O ATOM 0 H GLU A 43 -9.573 9.428 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.865 10.792 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.715 11.125 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.813 11.101 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.028 13.365 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.537 13.388 -2.542 1.00 0.00 H new ATOM 646 N LEU A 44 -7.636 11.818 -1.201 1.00 0.00 N ATOM 647 CA LEU A 44 -6.492 12.697 -1.020 1.00 0.00 C ATOM 648 C LEU A 44 -5.472 12.433 -2.129 1.00 0.00 C ATOM 649 O LEU A 44 -4.906 13.369 -2.692 1.00 0.00 O ATOM 650 CB LEU A 44 -5.920 12.547 0.391 1.00 0.00 C ATOM 651 CG LEU A 44 -6.916 12.715 1.540 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.201 13.118 2.831 1.00 0.00 C ATOM 653 CD2 LEU A 44 -8.023 13.703 1.166 1.00 0.00 C ATOM 0 H LEU A 44 -7.770 11.133 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.795 13.741 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.464 11.561 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.122 13.279 0.518 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.392 11.752 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.932 13.231 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.480 12.347 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.681 14.064 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.717 13.804 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.583 14.674 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.558 13.335 0.291 1.00 0.00 H new ATOM 665 N ALA A 45 -5.267 11.155 -2.410 1.00 0.00 N ATOM 666 CA ALA A 45 -4.325 10.756 -3.442 1.00 0.00 C ATOM 667 C ALA A 45 -4.790 11.307 -4.791 1.00 0.00 C ATOM 668 O ALA A 45 -4.030 11.982 -5.485 1.00 0.00 O ATOM 669 CB ALA A 45 -4.190 9.232 -3.449 1.00 0.00 C ATOM 0 H ALA A 45 -5.738 10.381 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.337 11.169 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.483 8.933 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.829 8.894 -2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.162 8.782 -3.651 1.00 0.00 H new ATOM 675 N ARG A 46 -6.035 10.998 -5.123 1.00 0.00 N ATOM 676 CA ARG A 46 -6.610 11.454 -6.377 1.00 0.00 C ATOM 677 C ARG A 46 -6.326 12.944 -6.581 1.00 0.00 C ATOM 678 O ARG A 46 -5.934 13.362 -7.669 1.00 0.00 O ATOM 679 CB ARG A 46 -8.121 11.220 -6.407 1.00 0.00 C ATOM 680 CG ARG A 46 -8.448 9.802 -6.880 1.00 0.00 C ATOM 681 CD ARG A 46 -9.959 9.601 -7.005 1.00 0.00 C ATOM 682 NE ARG A 46 -10.421 10.048 -8.338 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.710 10.137 -8.696 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.672 9.808 -7.823 1.00 0.00 N ATOM 685 NH2 ARG A 46 -12.036 10.553 -9.927 1.00 0.00 N ATOM 0 H ARG A 46 -6.661 10.437 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.149 10.880 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.537 11.380 -5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.592 11.946 -7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.972 9.617 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.038 9.077 -6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.208 8.550 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.474 10.162 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.715 10.304 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.424 9.490 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.653 9.876 -8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.304 10.802 -10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.017 10.621 -10.199 1.00 0.00 H new ATOM 699 N ARG A 47 -6.536 13.704 -5.517 1.00 0.00 N ATOM 700 CA ARG A 47 -6.309 15.138 -5.565 1.00 0.00 C ATOM 701 C ARG A 47 -4.902 15.435 -6.090 1.00 0.00 C ATOM 702 O ARG A 47 -4.646 16.521 -6.607 1.00 0.00 O ATOM 703 CB ARG A 47 -6.473 15.769 -4.180 1.00 0.00 C ATOM 704 CG ARG A 47 -7.947 15.829 -3.776 1.00 0.00 C ATOM 705 CD ARG A 47 -8.101 16.316 -2.334 1.00 0.00 C ATOM 706 NE ARG A 47 -8.900 17.561 -2.303 1.00 0.00 N ATOM 707 CZ ARG A 47 -8.873 18.446 -1.297 1.00 0.00 C ATOM 708 NH1 ARG A 47 -8.086 18.229 -0.234 1.00 0.00 N ATOM 709 NH2 ARG A 47 -9.632 19.549 -1.354 1.00 0.00 N ATOM 0 H ARG A 47 -6.861 13.354 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.051 15.569 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.914 15.191 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.052 16.774 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.485 16.497 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.397 14.842 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.586 15.548 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.119 16.493 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.509 17.758 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.507 17.390 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.066 18.903 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.230 19.715 -2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.611 20.222 -0.588 1.00 0.00 H new ATOM 723 N LYS A 48 -4.029 14.451 -5.938 1.00 0.00 N ATOM 724 CA LYS A 48 -2.655 14.593 -6.390 1.00 0.00 C ATOM 725 C LYS A 48 -2.567 14.210 -7.868 1.00 0.00 C ATOM 726 O LYS A 48 -1.690 14.688 -8.586 1.00 0.00 O ATOM 727 CB LYS A 48 -1.710 13.794 -5.490 1.00 0.00 C ATOM 728 CG LYS A 48 -1.777 14.291 -4.045 1.00 0.00 C ATOM 729 CD LYS A 48 -1.198 15.702 -3.923 1.00 0.00 C ATOM 730 CE LYS A 48 -0.830 16.021 -2.473 1.00 0.00 C ATOM 731 NZ LYS A 48 0.150 17.129 -2.418 1.00 0.00 N ATOM 0 H LYS A 48 -4.246 13.552 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.333 15.631 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.974 12.737 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.689 13.881 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.812 14.288 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.225 13.610 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.314 15.792 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.924 16.429 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.726 16.293 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.413 15.135 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.055 16.774 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.294 17.513 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.209 17.880 -1.794 1.00 0.00 H new ATOM 745 N GLY A 49 -3.488 13.351 -8.280 1.00 0.00 N ATOM 746 CA GLY A 49 -3.526 12.899 -9.660 1.00 0.00 C ATOM 747 C GLY A 49 -3.502 11.371 -9.737 1.00 0.00 C ATOM 748 O GLY A 49 -3.979 10.787 -10.709 1.00 0.00 O ATOM 0 H GLY A 49 -4.214 12.956 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.426 13.277 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.674 13.308 -10.204 1.00 0.00 H new ATOM 752 N PHE A 50 -2.941 10.767 -8.700 1.00 0.00 N ATOM 753 CA PHE A 50 -2.849 9.318 -8.638 1.00 0.00 C ATOM 754 C PHE A 50 -4.197 8.668 -8.957 1.00 0.00 C ATOM 755 O PHE A 50 -5.215 9.020 -8.364 1.00 0.00 O ATOM 756 CB PHE A 50 -2.448 8.956 -7.206 1.00 0.00 C ATOM 757 CG PHE A 50 -1.022 9.369 -6.836 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.037 8.797 -7.470 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.813 10.307 -5.874 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.361 9.179 -7.126 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.511 10.690 -5.531 1.00 0.00 C ATOM 762 CZ PHE A 50 1.570 10.117 -6.164 1.00 0.00 C ATOM 0 H PHE A 50 -2.546 11.254 -7.896 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.122 8.960 -9.367 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.144 9.430 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.550 7.879 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.129 8.053 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.654 10.761 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.202 8.724 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.677 11.436 -4.768 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.577 10.407 -5.902 1.00 0.00 H new ATOM 772 N ARG A 51 -4.159 7.731 -9.893 1.00 0.00 N ATOM 773 CA ARG A 51 -5.365 7.029 -10.298 1.00 0.00 C ATOM 774 C ARG A 51 -5.766 6.005 -9.234 1.00 0.00 C ATOM 775 O ARG A 51 -5.470 4.819 -9.367 1.00 0.00 O ATOM 776 CB ARG A 51 -5.163 6.313 -11.635 1.00 0.00 C ATOM 777 CG ARG A 51 -6.423 5.547 -12.043 1.00 0.00 C ATOM 778 CD ARG A 51 -6.148 4.639 -13.243 1.00 0.00 C ATOM 779 NE ARG A 51 -6.856 5.152 -14.438 1.00 0.00 N ATOM 780 CZ ARG A 51 -6.994 4.466 -15.581 1.00 0.00 C ATOM 781 NH1 ARG A 51 -6.474 3.236 -15.691 1.00 0.00 N ATOM 782 NH2 ARG A 51 -7.653 5.010 -16.613 1.00 0.00 N ATOM 0 H ARG A 51 -3.312 7.442 -10.382 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.157 7.769 -10.411 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.910 7.040 -12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.322 5.623 -11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.777 4.949 -11.203 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.217 6.251 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.076 4.593 -13.437 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.476 3.623 -13.024 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.264 6.085 -14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.973 2.822 -14.905 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.579 2.714 -16.561 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.049 5.946 -16.529 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.758 4.488 -17.483 1.00 0.00 H new ATOM 796 N VAL A 52 -6.432 6.502 -8.202 1.00 0.00 N ATOM 797 CA VAL A 52 -6.876 5.645 -7.116 1.00 0.00 C ATOM 798 C VAL A 52 -8.152 4.913 -7.538 1.00 0.00 C ATOM 799 O VAL A 52 -8.952 5.445 -8.306 1.00 0.00 O ATOM 800 CB VAL A 52 -7.055 6.468 -5.839 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.312 5.562 -4.633 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.845 7.373 -5.597 1.00 0.00 C ATOM 0 H VAL A 52 -6.675 7.487 -8.095 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.124 4.888 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.930 7.105 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.436 6.173 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.217 4.979 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.466 4.888 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.997 7.947 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.948 6.762 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.727 8.055 -6.439 1.00 0.00 H new ATOM 812 N GLU A 53 -8.301 3.703 -7.019 1.00 0.00 N ATOM 813 CA GLU A 53 -9.466 2.893 -7.333 1.00 0.00 C ATOM 814 C GLU A 53 -10.161 2.443 -6.046 1.00 0.00 C ATOM 815 O GLU A 53 -9.540 2.390 -4.986 1.00 0.00 O ATOM 816 CB GLU A 53 -9.080 1.690 -8.197 1.00 0.00 C ATOM 817 CG GLU A 53 -8.395 2.141 -9.489 1.00 0.00 C ATOM 818 CD GLU A 53 -9.421 2.640 -10.508 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.081 1.773 -11.121 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.523 3.878 -10.652 1.00 0.00 O ATOM 0 H GLU A 53 -7.635 3.264 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.165 3.502 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.413 1.034 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.971 1.109 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.681 2.934 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.829 1.312 -9.913 1.00 0.00 H new ATOM 827 N ASN A 54 -11.442 2.129 -6.183 1.00 0.00 N ATOM 828 CA ASN A 54 -12.228 1.685 -5.045 1.00 0.00 C ATOM 829 C ASN A 54 -12.154 0.161 -4.942 1.00 0.00 C ATOM 830 O ASN A 54 -12.217 -0.395 -3.847 1.00 0.00 O ATOM 831 CB ASN A 54 -13.699 2.077 -5.205 1.00 0.00 C ATOM 832 CG ASN A 54 -13.962 3.468 -4.625 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.265 3.634 -3.455 1.00 0.00 O ATOM 834 ND2 ASN A 54 -13.830 4.456 -5.506 1.00 0.00 N ATOM 0 H ASN A 54 -11.954 2.173 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.823 2.159 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.970 2.062 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.331 1.344 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.985 5.422 -5.216 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.574 4.248 -6.471 1.00 0.00 H new ATOM 841 N GLU A 55 -12.021 -0.472 -6.098 1.00 0.00 N ATOM 842 CA GLU A 55 -11.937 -1.922 -6.152 1.00 0.00 C ATOM 843 C GLU A 55 -10.672 -2.353 -6.898 1.00 0.00 C ATOM 844 O GLU A 55 -10.158 -1.613 -7.735 1.00 0.00 O ATOM 845 CB GLU A 55 -13.187 -2.520 -6.801 1.00 0.00 C ATOM 846 CG GLU A 55 -14.331 -2.627 -5.791 1.00 0.00 C ATOM 847 CD GLU A 55 -15.442 -3.540 -6.316 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.256 -4.772 -6.219 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.450 -2.984 -6.802 1.00 0.00 O ATOM 0 H GLU A 55 -11.969 -0.008 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.881 -2.301 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.497 -1.900 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.957 -3.507 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.952 -3.016 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.736 -1.635 -5.588 1.00 0.00 H new ATOM 856 N LEU A 56 -10.208 -3.549 -6.568 1.00 0.00 N ATOM 857 CA LEU A 56 -9.014 -4.088 -7.196 1.00 0.00 C ATOM 858 C LEU A 56 -9.214 -4.128 -8.712 1.00 0.00 C ATOM 859 O LEU A 56 -10.299 -4.454 -9.191 1.00 0.00 O ATOM 860 CB LEU A 56 -8.654 -5.445 -6.588 1.00 0.00 C ATOM 861 CG LEU A 56 -7.164 -5.701 -6.353 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.893 -7.189 -6.119 1.00 0.00 C ATOM 863 CD2 LEU A 56 -6.324 -5.140 -7.503 1.00 0.00 C ATOM 0 H LEU A 56 -10.638 -4.160 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.158 -3.441 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.174 -5.543 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.038 -6.227 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.865 -5.173 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.827 -7.343 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.448 -7.527 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.212 -7.759 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.269 -5.335 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.618 -5.620 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.486 -4.065 -7.581 1.00 0.00 H new ATOM 875 N SER A 57 -8.150 -3.791 -9.426 1.00 0.00 N ATOM 876 CA SER A 57 -8.195 -3.784 -10.879 1.00 0.00 C ATOM 877 C SER A 57 -6.813 -4.114 -11.447 1.00 0.00 C ATOM 878 O SER A 57 -5.794 -3.775 -10.847 1.00 0.00 O ATOM 879 CB SER A 57 -8.677 -2.432 -11.408 1.00 0.00 C ATOM 880 OG SER A 57 -10.022 -2.490 -11.874 1.00 0.00 O ATOM 0 H SER A 57 -7.252 -3.521 -9.026 1.00 0.00 H new ATOM 0 HA SER A 57 -8.905 -4.545 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.599 -1.685 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.026 -2.107 -12.220 1.00 0.00 H new ATOM 0 HG SER A 57 -10.293 -1.607 -12.202 1.00 0.00 H new ATOM 886 N ASP A 58 -6.823 -4.772 -12.597 1.00 0.00 N ATOM 887 CA ASP A 58 -5.583 -5.151 -13.252 1.00 0.00 C ATOM 888 C ASP A 58 -4.696 -3.915 -13.412 1.00 0.00 C ATOM 889 O ASP A 58 -3.484 -4.035 -13.587 1.00 0.00 O ATOM 890 CB ASP A 58 -5.850 -5.725 -14.646 1.00 0.00 C ATOM 891 CG ASP A 58 -4.754 -5.451 -15.678 1.00 0.00 C ATOM 892 OD1 ASP A 58 -4.552 -4.258 -15.989 1.00 0.00 O ATOM 893 OD2 ASP A 58 -4.143 -6.443 -16.132 1.00 0.00 O ATOM 0 H ASP A 58 -7.670 -5.052 -13.092 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.095 -5.907 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.985 -6.803 -14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.789 -5.315 -15.018 1.00 0.00 H new ATOM 898 N SER A 59 -5.334 -2.756 -13.345 1.00 0.00 N ATOM 899 CA SER A 59 -4.618 -1.499 -13.479 1.00 0.00 C ATOM 900 C SER A 59 -3.873 -1.179 -12.181 1.00 0.00 C ATOM 901 O SER A 59 -2.889 -0.441 -12.192 1.00 0.00 O ATOM 902 CB SER A 59 -5.571 -0.357 -13.839 1.00 0.00 C ATOM 903 OG SER A 59 -6.255 -0.600 -15.065 1.00 0.00 O ATOM 0 H SER A 59 -6.339 -2.661 -13.200 1.00 0.00 H new ATOM 0 HA SER A 59 -3.896 -1.602 -14.289 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.298 -0.225 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.009 0.574 -13.916 1.00 0.00 H new ATOM 0 HG SER A 59 -6.855 0.150 -15.259 1.00 0.00 H new ATOM 909 N VAL A 60 -4.371 -1.750 -11.095 1.00 0.00 N ATOM 910 CA VAL A 60 -3.766 -1.536 -9.792 1.00 0.00 C ATOM 911 C VAL A 60 -2.306 -1.994 -9.831 1.00 0.00 C ATOM 912 O VAL A 60 -2.029 -3.187 -9.945 1.00 0.00 O ATOM 913 CB VAL A 60 -4.585 -2.243 -8.710 1.00 0.00 C ATOM 914 CG1 VAL A 60 -3.850 -2.230 -7.369 1.00 0.00 C ATOM 915 CG2 VAL A 60 -5.976 -1.618 -8.580 1.00 0.00 C ATOM 0 H VAL A 60 -5.188 -2.361 -11.091 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.768 -0.475 -9.541 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.712 -3.283 -9.011 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.454 -2.739 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.894 -2.742 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.678 -1.199 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.538 -2.139 -7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.879 -0.566 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.504 -1.704 -9.530 1.00 0.00 H new ATOM 925 N THR A 61 -1.411 -1.021 -9.733 1.00 0.00 N ATOM 926 CA THR A 61 0.012 -1.310 -9.756 1.00 0.00 C ATOM 927 C THR A 61 0.638 -1.017 -8.391 1.00 0.00 C ATOM 928 O THR A 61 1.792 -1.364 -8.145 1.00 0.00 O ATOM 929 CB THR A 61 0.640 -0.505 -10.896 1.00 0.00 C ATOM 930 OG1 THR A 61 0.240 0.838 -10.634 1.00 0.00 O ATOM 931 CG2 THR A 61 0.009 -0.823 -12.254 1.00 0.00 C ATOM 0 H THR A 61 -1.644 -0.033 -9.638 1.00 0.00 H new ATOM 0 HA THR A 61 0.197 -2.368 -9.944 1.00 0.00 H new ATOM 0 HB THR A 61 1.710 -0.707 -10.936 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.606 1.429 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.491 -0.225 -13.028 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.142 -1.881 -12.478 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.055 -0.589 -12.224 1.00 0.00 H new ATOM 939 N HIS A 62 -0.153 -0.383 -7.537 1.00 0.00 N ATOM 940 CA HIS A 62 0.309 -0.040 -6.203 1.00 0.00 C ATOM 941 C HIS A 62 -0.840 -0.202 -5.205 1.00 0.00 C ATOM 942 O HIS A 62 -1.833 0.521 -5.273 1.00 0.00 O ATOM 943 CB HIS A 62 0.918 1.363 -6.182 1.00 0.00 C ATOM 944 CG HIS A 62 1.876 1.633 -7.318 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.508 2.320 -8.462 1.00 0.00 N ATOM 946 CD2 HIS A 62 3.190 1.302 -7.474 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.561 2.393 -9.263 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.602 1.761 -8.649 1.00 0.00 N ATOM 0 H HIS A 62 -1.110 -0.098 -7.743 1.00 0.00 H new ATOM 0 HA HIS A 62 1.104 -0.722 -5.904 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.114 2.098 -6.216 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.441 1.507 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.793 0.758 -6.762 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.590 2.869 -10.232 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.542 1.658 -9.030 1.00 0.00 H new ATOM 956 N ILE A 63 -0.667 -1.155 -4.302 1.00 0.00 N ATOM 957 CA ILE A 63 -1.676 -1.421 -3.291 1.00 0.00 C ATOM 958 C ILE A 63 -1.211 -0.854 -1.949 1.00 0.00 C ATOM 959 O ILE A 63 -0.115 -1.167 -1.485 1.00 0.00 O ATOM 960 CB ILE A 63 -2.008 -2.914 -3.246 1.00 0.00 C ATOM 961 CG1 ILE A 63 -2.953 -3.301 -4.386 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.569 -3.310 -1.878 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.226 -4.806 -4.384 1.00 0.00 C ATOM 0 H ILE A 63 0.157 -1.753 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.609 -0.917 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.084 -3.473 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.892 -2.757 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.516 -3.008 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.797 -4.376 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.831 -3.093 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.479 -2.744 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.900 -5.055 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.288 -5.346 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.685 -5.091 -3.437 1.00 0.00 H new ATOM 975 N VAL A 64 -2.066 -0.029 -1.363 1.00 0.00 N ATOM 976 CA VAL A 64 -1.755 0.586 -0.083 1.00 0.00 C ATOM 977 C VAL A 64 -2.456 -0.191 1.034 1.00 0.00 C ATOM 978 O VAL A 64 -3.635 -0.524 0.917 1.00 0.00 O ATOM 979 CB VAL A 64 -2.133 2.068 -0.109 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.886 2.720 1.253 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.378 2.807 -1.216 1.00 0.00 C ATOM 0 H VAL A 64 -2.974 0.228 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.684 0.542 0.113 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.199 2.139 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.163 3.773 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.488 2.219 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.831 2.633 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.665 3.859 -1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.305 2.723 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.625 2.366 -2.182 1.00 0.00 H new ATOM 991 N ALA A 65 -1.702 -0.456 2.090 1.00 0.00 N ATOM 992 CA ALA A 65 -2.236 -1.186 3.227 1.00 0.00 C ATOM 993 C ALA A 65 -1.582 -0.673 4.511 1.00 0.00 C ATOM 994 O ALA A 65 -0.368 -0.777 4.677 1.00 0.00 O ATOM 995 CB ALA A 65 -2.016 -2.686 3.019 1.00 0.00 C ATOM 0 H ALA A 65 -0.725 -0.178 2.182 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.310 -1.023 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.416 -3.234 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.526 -3.006 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.949 -2.888 2.927 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.416 -0.130 5.386 1.00 0.00 N ATOM 1002 CA GLU A 66 -1.934 0.400 6.650 1.00 0.00 C ATOM 1003 C GLU A 66 -1.974 -0.684 7.730 1.00 0.00 C ATOM 1004 O GLU A 66 -2.993 -1.349 7.909 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.743 1.627 7.074 1.00 0.00 C ATOM 1006 CG GLU A 66 -3.283 1.463 8.496 1.00 0.00 C ATOM 1007 CD GLU A 66 -4.051 2.710 8.938 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -3.703 3.800 8.434 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.969 2.546 9.770 1.00 0.00 O ATOM 0 H GLU A 66 -3.423 -0.046 5.244 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.899 0.716 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.116 2.517 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.571 1.778 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.938 0.593 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.458 1.277 9.183 1.00 0.00 H new ATOM 1016 N ASN A 67 -0.853 -0.828 8.421 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.748 -1.819 9.478 1.00 0.00 C ATOM 1018 C ASN A 67 -0.952 -3.214 8.885 1.00 0.00 C ATOM 1019 O ASN A 67 -1.525 -4.090 9.531 1.00 0.00 O ATOM 1020 CB ASN A 67 -1.818 -1.599 10.548 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.382 -0.525 11.547 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -0.206 -0.282 11.763 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -2.393 0.101 12.144 1.00 0.00 N ATOM 0 H ASN A 67 -0.009 -0.275 8.269 1.00 0.00 H new ATOM 0 HA ASN A 67 0.239 -1.725 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.754 -1.302 10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.009 -2.534 11.074 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.206 0.834 12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.355 -0.152 11.917 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.472 -3.378 7.661 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.594 -4.652 6.973 1.00 0.00 C ATOM 1032 C ASN A 68 0.732 -4.987 6.288 1.00 0.00 C ATOM 1033 O ASN A 68 1.216 -4.221 5.456 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.681 -4.596 5.897 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.076 -4.637 6.524 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.413 -5.521 7.294 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.866 -3.633 6.153 1.00 0.00 N ATOM 0 H ASN A 68 0.002 -2.649 7.128 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.856 -5.409 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.569 -3.685 5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.562 -5.435 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.817 -3.571 6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.521 -2.925 5.504 1.00 0.00 H new ATOM 1044 N SER A 69 1.283 -6.132 6.663 1.00 0.00 N ATOM 1045 CA SER A 69 2.544 -6.578 6.096 1.00 0.00 C ATOM 1046 C SER A 69 2.333 -7.043 4.653 1.00 0.00 C ATOM 1047 O SER A 69 1.203 -7.087 4.171 1.00 0.00 O ATOM 1048 CB SER A 69 3.158 -7.702 6.932 1.00 0.00 C ATOM 1049 OG SER A 69 3.261 -7.349 8.308 1.00 0.00 O ATOM 0 H SER A 69 0.879 -6.765 7.353 1.00 0.00 H new ATOM 0 HA SER A 69 3.238 -5.738 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.550 -8.601 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.148 -7.943 6.544 1.00 0.00 H new ATOM 0 HG SER A 69 3.656 -8.094 8.808 1.00 0.00 H new ATOM 1055 N GLY A 70 3.439 -7.378 4.006 1.00 0.00 N ATOM 1056 CA GLY A 70 3.390 -7.839 2.629 1.00 0.00 C ATOM 1057 C GLY A 70 2.434 -9.025 2.481 1.00 0.00 C ATOM 1058 O GLY A 70 1.407 -8.919 1.813 1.00 0.00 O ATOM 0 H GLY A 70 4.375 -7.339 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.068 -7.024 1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.389 -8.130 2.303 1.00 0.00 H new ATOM 1062 N SER A 71 2.807 -10.126 3.115 1.00 0.00 N ATOM 1063 CA SER A 71 1.995 -11.331 3.063 1.00 0.00 C ATOM 1064 C SER A 71 0.546 -11.002 3.428 1.00 0.00 C ATOM 1065 O SER A 71 -0.384 -11.483 2.784 1.00 0.00 O ATOM 1066 CB SER A 71 2.547 -12.408 3.999 1.00 0.00 C ATOM 1067 OG SER A 71 2.145 -12.199 5.350 1.00 0.00 O ATOM 0 H SER A 71 3.660 -10.210 3.668 1.00 0.00 H new ATOM 0 HA SER A 71 2.027 -11.721 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.204 -13.388 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.635 -12.415 3.942 1.00 0.00 H new ATOM 0 HG SER A 71 2.516 -12.908 5.915 1.00 0.00 H new ATOM 1073 N ASP A 72 0.401 -10.185 4.461 1.00 0.00 N ATOM 1074 CA ASP A 72 -0.919 -9.787 4.920 1.00 0.00 C ATOM 1075 C ASP A 72 -1.746 -9.307 3.726 1.00 0.00 C ATOM 1076 O ASP A 72 -2.964 -9.477 3.701 1.00 0.00 O ATOM 1077 CB ASP A 72 -0.828 -8.637 5.925 1.00 0.00 C ATOM 1078 CG ASP A 72 -0.796 -9.062 7.394 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -1.859 -9.507 7.880 1.00 0.00 O ATOM 1080 OD2 ASP A 72 0.290 -8.934 7.999 1.00 0.00 O ATOM 0 H ASP A 72 1.175 -9.788 4.993 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.384 -10.649 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.070 -8.058 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.679 -7.974 5.773 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.051 -8.717 2.764 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.706 -8.212 1.570 1.00 0.00 C ATOM 1087 C VAL A 73 -1.924 -9.364 0.587 1.00 0.00 C ATOM 1088 O VAL A 73 -2.870 -9.343 -0.200 1.00 0.00 O ATOM 1089 CB VAL A 73 -0.892 -7.062 0.973 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.482 -6.609 -0.364 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -0.793 -5.893 1.954 1.00 0.00 C ATOM 0 H VAL A 73 -0.041 -8.578 2.788 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.687 -7.805 1.816 1.00 0.00 H new ATOM 0 HB VAL A 73 0.118 -7.428 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.885 -5.791 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.475 -7.443 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.507 -6.270 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.209 -5.089 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.793 -5.528 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.306 -6.227 2.870 1.00 0.00 H new ATOM 1101 N LEU A 74 -1.034 -10.342 0.664 1.00 0.00 N ATOM 1102 CA LEU A 74 -1.117 -11.500 -0.209 1.00 0.00 C ATOM 1103 C LEU A 74 -2.404 -12.271 0.094 1.00 0.00 C ATOM 1104 O LEU A 74 -3.275 -12.393 -0.765 1.00 0.00 O ATOM 1105 CB LEU A 74 0.150 -12.350 -0.095 1.00 0.00 C ATOM 1106 CG LEU A 74 1.355 -11.870 -0.907 1.00 0.00 C ATOM 1107 CD1 LEU A 74 1.348 -12.482 -2.309 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.415 -10.342 -0.948 1.00 0.00 C ATOM 0 H LEU A 74 -0.251 -10.356 1.318 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.170 -11.187 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.439 -12.396 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.090 -13.367 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 74 2.262 -12.214 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.214 -12.125 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.388 -13.569 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.436 -12.189 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.280 -10.027 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.506 -9.954 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.501 -9.954 0.067 1.00 0.00 H new ATOM 1120 N GLU A 75 -2.482 -12.770 1.319 1.00 0.00 N ATOM 1121 CA GLU A 75 -3.647 -13.525 1.746 1.00 0.00 C ATOM 1122 C GLU A 75 -4.928 -12.850 1.253 1.00 0.00 C ATOM 1123 O GLU A 75 -5.874 -13.525 0.849 1.00 0.00 O ATOM 1124 CB GLU A 75 -3.666 -13.691 3.267 1.00 0.00 C ATOM 1125 CG GLU A 75 -2.408 -14.411 3.756 1.00 0.00 C ATOM 1126 CD GLU A 75 -2.770 -15.646 4.584 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -3.428 -15.456 5.629 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -2.380 -16.753 4.152 1.00 0.00 O ATOM 0 H GLU A 75 -1.757 -12.666 2.029 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.591 -14.520 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.737 -12.713 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.550 -14.255 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.799 -14.707 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.805 -13.730 4.357 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.917 -11.526 1.301 1.00 0.00 N ATOM 1136 CA TRP A 76 -6.066 -10.752 0.863 1.00 0.00 C ATOM 1137 C TRP A 76 -6.089 -10.763 -0.667 1.00 0.00 C ATOM 1138 O TRP A 76 -7.148 -10.911 -1.274 1.00 0.00 O ATOM 1139 CB TRP A 76 -6.031 -9.339 1.450 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.007 -8.365 0.787 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.237 -8.024 1.194 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -6.782 -7.616 -0.426 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -8.819 -7.113 0.336 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -7.906 -6.857 -0.680 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.665 -7.580 -1.280 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.024 -6.008 -1.787 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -5.799 -6.727 -2.381 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -6.923 -5.956 -2.652 1.00 0.00 C ATOM 0 H TRP A 76 -4.131 -10.970 1.636 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.992 -11.196 1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.256 -9.394 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.020 -8.943 1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.713 -8.413 2.082 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.748 -6.703 0.430 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.775 -8.164 -1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -8.915 -5.425 -1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.969 -6.663 -3.070 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.948 -5.320 -3.525 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.908 -10.603 -1.245 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.779 -10.593 -2.693 1.00 0.00 C ATOM 1161 C LEU A 77 -5.486 -11.819 -3.272 1.00 0.00 C ATOM 1162 O LEU A 77 -6.421 -11.686 -4.061 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.308 -10.483 -3.099 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.001 -9.534 -4.259 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.135 -9.541 -5.287 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.699 -8.123 -3.749 1.00 0.00 C ATOM 0 H LEU A 77 -4.032 -10.479 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.268 -9.714 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.735 -10.160 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.950 -11.478 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.104 -9.892 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.892 -8.858 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.261 -10.549 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.061 -9.221 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.484 -7.469 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.562 -7.741 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.835 -8.153 -3.085 1.00 0.00 H new ATOM 1178 N GLN A 78 -5.014 -12.986 -2.859 1.00 0.00 N ATOM 1179 CA GLN A 78 -5.590 -14.235 -3.327 1.00 0.00 C ATOM 1180 C GLN A 78 -7.086 -14.281 -3.010 1.00 0.00 C ATOM 1181 O GLN A 78 -7.855 -14.925 -3.722 1.00 0.00 O ATOM 1182 CB GLN A 78 -4.863 -15.436 -2.718 1.00 0.00 C ATOM 1183 CG GLN A 78 -3.419 -15.514 -3.219 1.00 0.00 C ATOM 1184 CD GLN A 78 -2.981 -16.969 -3.403 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -3.684 -17.789 -3.970 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.783 -17.242 -2.894 1.00 0.00 N ATOM 0 H GLN A 78 -4.239 -13.093 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.466 -14.287 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.871 -15.358 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.391 -16.354 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.329 -14.981 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.757 -15.018 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.246 -16.508 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.401 -18.185 -2.966 1.00 0.00 H new ATOM 1195 N ALA A 79 -7.454 -13.590 -1.941 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.844 -13.544 -1.521 1.00 0.00 C ATOM 1197 C ALA A 79 -9.651 -12.728 -2.533 1.00 0.00 C ATOM 1198 O ALA A 79 -10.794 -13.065 -2.837 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.931 -12.969 -0.106 1.00 0.00 C ATOM 0 H ALA A 79 -6.813 -13.057 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.270 -14.547 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.974 -12.934 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.366 -13.601 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.516 -11.961 -0.097 1.00 0.00 H new ATOM 1205 N GLN A 80 -9.024 -11.670 -3.026 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.670 -10.803 -3.998 1.00 0.00 C ATOM 1207 C GLN A 80 -10.015 -11.589 -5.264 1.00 0.00 C ATOM 1208 O GLN A 80 -11.109 -11.446 -5.808 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.790 -9.595 -4.325 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.429 -8.820 -3.057 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.566 -8.880 -2.035 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.572 -8.198 -2.147 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.351 -9.731 -1.036 1.00 0.00 N ATOM 0 H GLN A 80 -8.076 -11.393 -2.771 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.597 -10.429 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.880 -9.928 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.312 -8.938 -5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.520 -9.234 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.217 -7.781 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.486 -10.271 -1.003 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.051 -9.844 -0.302 1.00 0.00 H new ATOM 1222 N LYS A 81 -9.062 -12.402 -5.696 1.00 0.00 N ATOM 1223 CA LYS A 81 -9.252 -13.211 -6.888 1.00 0.00 C ATOM 1224 C LYS A 81 -9.213 -12.309 -8.123 1.00 0.00 C ATOM 1225 O LYS A 81 -9.476 -12.762 -9.236 1.00 0.00 O ATOM 1226 CB LYS A 81 -10.532 -14.041 -6.774 1.00 0.00 C ATOM 1227 CG LYS A 81 -10.680 -14.631 -5.369 1.00 0.00 C ATOM 1228 CD LYS A 81 -11.301 -16.028 -5.424 1.00 0.00 C ATOM 1229 CE LYS A 81 -11.673 -16.518 -4.024 1.00 0.00 C ATOM 1230 NZ LYS A 81 -12.618 -17.654 -4.106 1.00 0.00 N ATOM 0 H LYS A 81 -8.156 -12.518 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.440 -13.931 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.396 -13.417 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.515 -14.845 -7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.704 -14.682 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.302 -13.976 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.190 -16.010 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.599 -16.724 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.774 -16.823 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.122 -15.704 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.860 -17.974 -3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.483 -17.351 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.176 -18.436 -4.631 1.00 0.00 H new ATOM 1244 N VAL A 82 -8.882 -11.048 -7.885 1.00 0.00 N ATOM 1245 CA VAL A 82 -8.805 -10.078 -8.964 1.00 0.00 C ATOM 1246 C VAL A 82 -7.568 -10.368 -9.817 1.00 0.00 C ATOM 1247 O VAL A 82 -6.449 -10.391 -9.306 1.00 0.00 O ATOM 1248 CB VAL A 82 -8.819 -8.658 -8.394 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -8.271 -7.654 -9.410 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -10.225 -8.265 -7.937 1.00 0.00 C ATOM 0 H VAL A 82 -8.664 -10.676 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.676 -10.161 -9.615 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.166 -8.640 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.292 -6.653 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.245 -7.918 -9.665 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.885 -7.675 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.207 -7.252 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.908 -8.308 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.562 -8.955 -7.164 1.00 0.00 H new ATOM 1260 N GLN A 83 -7.811 -10.581 -11.102 1.00 0.00 N ATOM 1261 CA GLN A 83 -6.730 -10.868 -12.030 1.00 0.00 C ATOM 1262 C GLN A 83 -5.952 -9.590 -12.351 1.00 0.00 C ATOM 1263 O GLN A 83 -6.527 -8.613 -12.830 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.263 -11.521 -13.307 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.203 -10.573 -14.055 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.228 -11.356 -14.880 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.280 -11.271 -16.096 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.037 -12.121 -14.152 1.00 0.00 N ATOM 0 H GLN A 83 -8.740 -10.561 -11.522 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.049 -11.575 -11.556 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.430 -11.798 -13.953 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.792 -12.441 -13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.719 -9.930 -13.342 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.624 -9.923 -14.710 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.939 -12.146 -13.137 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.755 -12.683 -14.609 1.00 0.00 H new ATOM 1277 N VAL A 84 -4.658 -9.638 -12.074 1.00 0.00 N ATOM 1278 CA VAL A 84 -3.795 -8.496 -12.327 1.00 0.00 C ATOM 1279 C VAL A 84 -2.668 -8.914 -13.273 1.00 0.00 C ATOM 1280 O VAL A 84 -1.805 -9.709 -12.903 1.00 0.00 O ATOM 1281 CB VAL A 84 -3.284 -7.923 -11.003 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -4.143 -6.742 -10.549 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.225 -9.006 -9.924 1.00 0.00 C ATOM 0 H VAL A 84 -4.185 -10.450 -11.677 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.351 -7.697 -12.818 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.270 -7.556 -11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.758 -6.354 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.111 -5.957 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.173 -7.072 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.859 -8.573 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.222 -9.416 -9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.552 -9.802 -10.243 1.00 0.00 H new ATOM 1293 N SER A 85 -2.711 -8.359 -14.475 1.00 0.00 N ATOM 1294 CA SER A 85 -1.704 -8.664 -15.477 1.00 0.00 C ATOM 1295 C SER A 85 -0.325 -8.761 -14.820 1.00 0.00 C ATOM 1296 O SER A 85 0.540 -9.498 -15.291 1.00 0.00 O ATOM 1297 CB SER A 85 -1.692 -7.609 -16.585 1.00 0.00 C ATOM 1298 OG SER A 85 -2.573 -7.946 -17.653 1.00 0.00 O ATOM 0 H SER A 85 -3.428 -7.700 -14.778 1.00 0.00 H new ATOM 0 HA SER A 85 -1.952 -9.624 -15.930 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.979 -6.643 -16.169 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.679 -7.501 -16.972 1.00 0.00 H new ATOM 0 HG SER A 85 -3.449 -7.535 -17.497 1.00 0.00 H new ATOM 1304 N SER A 86 -0.164 -8.005 -13.744 1.00 0.00 N ATOM 1305 CA SER A 86 1.095 -7.997 -13.018 1.00 0.00 C ATOM 1306 C SER A 86 0.857 -7.589 -11.563 1.00 0.00 C ATOM 1307 O SER A 86 0.403 -6.478 -11.292 1.00 0.00 O ATOM 1308 CB SER A 86 2.104 -7.053 -13.676 1.00 0.00 C ATOM 1309 OG SER A 86 2.171 -7.242 -15.087 1.00 0.00 O ATOM 0 H SER A 86 -0.884 -7.394 -13.358 1.00 0.00 H new ATOM 0 HA SER A 86 1.511 -9.004 -13.043 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.828 -6.021 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.090 -7.216 -13.241 1.00 0.00 H new ATOM 0 HG SER A 86 2.825 -6.620 -15.470 1.00 0.00 H new ATOM 1315 N GLN A 87 1.175 -8.509 -10.664 1.00 0.00 N ATOM 1316 CA GLN A 87 1.002 -8.259 -9.244 1.00 0.00 C ATOM 1317 C GLN A 87 1.329 -6.800 -8.918 1.00 0.00 C ATOM 1318 O GLN A 87 2.344 -6.272 -9.370 1.00 0.00 O ATOM 1319 CB GLN A 87 1.859 -9.213 -8.410 1.00 0.00 C ATOM 1320 CG GLN A 87 1.069 -9.763 -7.221 1.00 0.00 C ATOM 1321 CD GLN A 87 1.726 -11.028 -6.665 1.00 0.00 C ATOM 1322 OE1 GLN A 87 2.889 -11.310 -6.900 1.00 0.00 O ATOM 1323 NE2 GLN A 87 0.918 -11.773 -5.915 1.00 0.00 N ATOM 0 H GLN A 87 1.552 -9.429 -10.892 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.041 -8.443 -8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.204 -10.037 -9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.746 -8.691 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.008 -9.006 -6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.047 -9.985 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.046 -11.480 -5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.263 -12.638 -5.498 1.00 0.00 H new ATOM 1332 N PRO A 88 0.428 -6.174 -8.114 1.00 0.00 N ATOM 1333 CA PRO A 88 0.612 -4.787 -7.722 1.00 0.00 C ATOM 1334 C PRO A 88 1.703 -4.658 -6.657 1.00 0.00 C ATOM 1335 O PRO A 88 2.039 -5.632 -5.986 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.753 -4.333 -7.231 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.531 -5.603 -6.930 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.784 -6.768 -7.559 1.00 0.00 C ATOM 0 HA PRO A 88 0.954 -4.159 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.661 -3.711 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.261 -3.734 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.625 -5.747 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.542 -5.536 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.547 -7.533 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.380 -7.249 -8.334 1.00 0.00 H new ATOM 1346 N GLU A 89 2.228 -3.447 -6.537 1.00 0.00 N ATOM 1347 CA GLU A 89 3.274 -3.178 -5.566 1.00 0.00 C ATOM 1348 C GLU A 89 2.668 -2.966 -4.177 1.00 0.00 C ATOM 1349 O GLU A 89 1.862 -2.057 -3.979 1.00 0.00 O ATOM 1350 CB GLU A 89 4.115 -1.971 -5.986 1.00 0.00 C ATOM 1351 CG GLU A 89 5.245 -2.392 -6.929 1.00 0.00 C ATOM 1352 CD GLU A 89 5.139 -1.665 -8.271 1.00 0.00 C ATOM 1353 OE1 GLU A 89 4.178 -1.973 -9.008 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.022 -0.819 -8.529 1.00 0.00 O ATOM 0 H GLU A 89 1.948 -2.641 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 89 3.935 -4.044 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.480 -1.235 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.534 -1.490 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.208 -2.174 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.206 -3.469 -7.091 1.00 0.00 H new ATOM 1361 N LEU A 90 3.078 -3.820 -3.251 1.00 0.00 N ATOM 1362 CA LEU A 90 2.585 -3.737 -1.886 1.00 0.00 C ATOM 1363 C LEU A 90 3.439 -2.742 -1.099 1.00 0.00 C ATOM 1364 O LEU A 90 4.609 -3.005 -0.822 1.00 0.00 O ATOM 1365 CB LEU A 90 2.523 -5.129 -1.254 1.00 0.00 C ATOM 1366 CG LEU A 90 1.963 -6.244 -2.140 1.00 0.00 C ATOM 1367 CD1 LEU A 90 1.848 -7.557 -1.363 1.00 0.00 C ATOM 1368 CD2 LEU A 90 0.630 -5.830 -2.766 1.00 0.00 C ATOM 0 H LEU A 90 3.746 -4.573 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 90 1.562 -3.360 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.529 -5.410 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.915 -5.070 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 90 2.664 -6.414 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.447 -8.332 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.834 -7.856 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.181 -7.419 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.254 -6.640 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.091 -5.615 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.776 -4.939 -3.377 1.00 0.00 H new ATOM 1380 N LEU A 91 2.823 -1.619 -0.760 1.00 0.00 N ATOM 1381 CA LEU A 91 3.512 -0.583 -0.011 1.00 0.00 C ATOM 1382 C LEU A 91 2.665 -0.187 1.200 1.00 0.00 C ATOM 1383 O LEU A 91 1.461 -0.435 1.228 1.00 0.00 O ATOM 1384 CB LEU A 91 3.868 0.592 -0.923 1.00 0.00 C ATOM 1385 CG LEU A 91 4.275 0.231 -2.354 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.829 1.313 -3.339 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.777 -0.044 -2.444 1.00 0.00 C ATOM 0 H LEU A 91 1.853 -1.404 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 91 4.461 -0.958 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.011 1.264 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.685 1.149 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 91 3.763 -0.690 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.130 1.033 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.745 1.416 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.294 2.262 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.039 -0.298 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.329 0.845 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.035 -0.875 -1.787 1.00 0.00 H new ATOM 1399 N ASP A 92 3.329 0.422 2.172 1.00 0.00 N ATOM 1400 CA ASP A 92 2.652 0.855 3.383 1.00 0.00 C ATOM 1401 C ASP A 92 2.030 2.234 3.149 1.00 0.00 C ATOM 1402 O ASP A 92 2.512 3.003 2.319 1.00 0.00 O ATOM 1403 CB ASP A 92 3.633 0.971 4.551 1.00 0.00 C ATOM 1404 CG ASP A 92 2.991 0.949 5.940 1.00 0.00 C ATOM 1405 OD1 ASP A 92 2.533 -0.144 6.336 1.00 0.00 O ATOM 1406 OD2 ASP A 92 2.973 2.027 6.573 1.00 0.00 O ATOM 0 H ASP A 92 4.328 0.626 2.146 1.00 0.00 H new ATOM 0 HA ASP A 92 1.889 0.116 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.350 0.153 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.196 1.898 4.442 1.00 0.00 H new ATOM 1411 N VAL A 93 0.970 2.504 3.896 1.00 0.00 N ATOM 1412 CA VAL A 93 0.277 3.776 3.780 1.00 0.00 C ATOM 1413 C VAL A 93 1.303 4.911 3.768 1.00 0.00 C ATOM 1414 O VAL A 93 1.058 5.967 3.188 1.00 0.00 O ATOM 1415 CB VAL A 93 -0.754 3.914 4.902 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -1.984 3.047 4.626 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -0.137 3.573 6.260 1.00 0.00 C ATOM 0 H VAL A 93 0.574 1.864 4.584 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.275 3.826 2.841 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.077 4.955 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.701 3.164 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.445 3.357 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.684 2.002 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.891 3.679 7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.228 2.546 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.692 4.250 6.463 1.00 0.00 H new ATOM 1427 N SER A 94 2.430 4.654 4.416 1.00 0.00 N ATOM 1428 CA SER A 94 3.494 5.641 4.487 1.00 0.00 C ATOM 1429 C SER A 94 3.822 6.159 3.086 1.00 0.00 C ATOM 1430 O SER A 94 4.112 7.341 2.909 1.00 0.00 O ATOM 1431 CB SER A 94 4.745 5.055 5.143 1.00 0.00 C ATOM 1432 OG SER A 94 4.490 3.790 5.747 1.00 0.00 O ATOM 0 H SER A 94 2.629 3.777 4.896 1.00 0.00 H new ATOM 0 HA SER A 94 3.149 6.472 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.530 4.947 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.117 5.748 5.897 1.00 0.00 H new ATOM 0 HG SER A 94 3.719 3.864 6.347 1.00 0.00 H new ATOM 1438 N TRP A 95 3.764 5.248 2.125 1.00 0.00 N ATOM 1439 CA TRP A 95 4.052 5.598 0.744 1.00 0.00 C ATOM 1440 C TRP A 95 2.975 6.576 0.270 1.00 0.00 C ATOM 1441 O TRP A 95 3.278 7.556 -0.410 1.00 0.00 O ATOM 1442 CB TRP A 95 4.148 4.346 -0.130 1.00 0.00 C ATOM 1443 CG TRP A 95 4.661 4.614 -1.547 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.913 4.899 -1.931 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.879 4.609 -2.759 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.994 5.078 -3.296 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.718 4.897 -3.816 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.507 4.371 -2.957 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 4.280 4.972 -5.144 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 2.085 4.450 -4.289 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.918 4.738 -5.365 1.00 0.00 C ATOM 0 H TRP A 95 3.522 4.269 2.275 1.00 0.00 H new ATOM 0 HA TRP A 95 5.024 6.084 0.664 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.808 3.627 0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.163 3.883 -0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.753 4.978 -1.256 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.836 5.302 -3.827 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.832 4.145 -2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.957 5.198 -5.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.040 4.275 -4.496 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.516 4.781 -6.366 1.00 0.00 H new ATOM 1462 N LEU A 96 1.741 6.277 0.648 1.00 0.00 N ATOM 1463 CA LEU A 96 0.618 7.119 0.271 1.00 0.00 C ATOM 1464 C LEU A 96 0.770 8.491 0.930 1.00 0.00 C ATOM 1465 O LEU A 96 0.726 9.517 0.253 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.705 6.423 0.596 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.923 6.893 -0.202 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.555 7.151 -1.664 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.082 5.903 -0.068 1.00 0.00 C ATOM 0 H LEU A 96 1.494 5.463 1.211 1.00 0.00 H new ATOM 0 HA LEU A 96 0.609 7.283 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.579 5.353 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.915 6.561 1.657 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.260 7.841 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.439 7.484 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.786 7.922 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.178 6.232 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.935 6.261 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.773 4.928 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.365 5.814 0.981 1.00 0.00 H new ATOM 1481 N ILE A 97 0.946 8.465 2.243 1.00 0.00 N ATOM 1482 CA ILE A 97 1.105 9.694 3.001 1.00 0.00 C ATOM 1483 C ILE A 97 2.205 10.545 2.361 1.00 0.00 C ATOM 1484 O ILE A 97 2.064 11.761 2.243 1.00 0.00 O ATOM 1485 CB ILE A 97 1.349 9.384 4.479 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.137 8.686 5.100 1.00 0.00 C ATOM 1487 CG2 ILE A 97 1.737 10.649 5.248 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.571 7.699 6.186 1.00 0.00 C ATOM 0 H ILE A 97 0.982 7.612 2.801 1.00 0.00 H new ATOM 0 HA ILE A 97 0.188 10.282 2.970 1.00 0.00 H new ATOM 0 HB ILE A 97 2.190 8.694 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.536 9.429 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.420 8.159 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.905 10.401 6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.650 11.067 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.933 11.381 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.309 7.216 6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.225 6.943 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.107 8.234 6.971 1.00 0.00 H new ATOM 1500 N GLU A 98 3.275 9.871 1.966 1.00 0.00 N ATOM 1501 CA GLU A 98 4.398 10.549 1.342 1.00 0.00 C ATOM 1502 C GLU A 98 4.054 10.927 -0.101 1.00 0.00 C ATOM 1503 O GLU A 98 4.244 12.072 -0.508 1.00 0.00 O ATOM 1504 CB GLU A 98 5.659 9.685 1.396 1.00 0.00 C ATOM 1505 CG GLU A 98 6.165 9.544 2.833 1.00 0.00 C ATOM 1506 CD GLU A 98 7.681 9.738 2.903 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.383 8.985 2.194 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.104 10.635 3.664 1.00 0.00 O ATOM 0 H GLU A 98 3.388 8.862 2.066 1.00 0.00 H new ATOM 0 HA GLU A 98 4.600 11.464 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.447 8.699 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.436 10.130 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.671 10.278 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.903 8.559 3.220 1.00 0.00 H new ATOM 1515 N CYS A 99 3.554 9.943 -0.834 1.00 0.00 N ATOM 1516 CA CYS A 99 3.182 10.159 -2.222 1.00 0.00 C ATOM 1517 C CYS A 99 2.303 11.408 -2.295 1.00 0.00 C ATOM 1518 O CYS A 99 2.228 12.058 -3.337 1.00 0.00 O ATOM 1519 CB CYS A 99 2.485 8.934 -2.817 1.00 0.00 C ATOM 1520 SG CYS A 99 3.727 7.684 -3.311 1.00 0.00 S ATOM 0 H CYS A 99 3.398 8.994 -0.493 1.00 0.00 H new ATOM 0 HA CYS A 99 4.079 10.312 -2.822 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.797 8.507 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.890 9.228 -3.681 1.00 0.00 H new ATOM 0 HG CYS A 99 3.210 6.495 -3.210 1.00 0.00 H new ATOM 1526 N ILE A 100 1.659 11.707 -1.176 1.00 0.00 N ATOM 1527 CA ILE A 100 0.788 12.867 -1.101 1.00 0.00 C ATOM 1528 C ILE A 100 1.625 14.108 -0.784 1.00 0.00 C ATOM 1529 O ILE A 100 1.773 14.993 -1.626 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.347 12.621 -0.105 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.276 11.508 -0.596 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.109 13.914 0.189 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.071 10.906 0.564 1.00 0.00 C ATOM 0 H ILE A 100 1.723 11.166 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 100 0.306 13.044 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 100 0.091 12.285 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.962 11.906 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.690 10.729 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.910 13.711 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.426 14.650 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.535 14.304 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.723 10.118 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.383 10.488 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.674 11.683 1.033 1.00 0.00 H new ATOM 1545 N GLY A 101 2.150 14.134 0.432 1.00 0.00 N ATOM 1546 CA GLY A 101 2.969 15.252 0.870 1.00 0.00 C ATOM 1547 C GLY A 101 4.142 15.480 -0.085 1.00 0.00 C ATOM 1548 O GLY A 101 4.767 16.539 -0.065 1.00 0.00 O ATOM 0 H GLY A 101 2.024 13.399 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.360 16.154 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.346 15.060 1.875 1.00 0.00 H new ATOM 1552 N ALA A 102 4.407 14.468 -0.899 1.00 0.00 N ATOM 1553 CA ALA A 102 5.494 14.545 -1.859 1.00 0.00 C ATOM 1554 C ALA A 102 4.933 14.928 -3.230 1.00 0.00 C ATOM 1555 O ALA A 102 5.681 15.321 -4.123 1.00 0.00 O ATOM 1556 CB ALA A 102 6.244 13.211 -1.889 1.00 0.00 C ATOM 0 H ALA A 102 3.887 13.591 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 102 6.208 15.315 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.060 13.268 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.648 12.998 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.559 12.415 -2.180 1.00 0.00 H new ATOM 1562 N GLY A 103 3.619 14.801 -3.352 1.00 0.00 N ATOM 1563 CA GLY A 103 2.949 15.130 -4.599 1.00 0.00 C ATOM 1564 C GLY A 103 3.590 14.394 -5.777 1.00 0.00 C ATOM 1565 O GLY A 103 3.700 14.944 -6.871 1.00 0.00 O ATOM 0 H GLY A 103 3.001 14.475 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.894 14.864 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.996 16.206 -4.769 1.00 0.00 H new ATOM 1569 N LYS A 104 3.997 13.161 -5.513 1.00 0.00 N ATOM 1570 CA LYS A 104 4.625 12.344 -6.538 1.00 0.00 C ATOM 1571 C LYS A 104 4.899 10.948 -5.974 1.00 0.00 C ATOM 1572 O LYS A 104 4.870 10.748 -4.761 1.00 0.00 O ATOM 1573 CB LYS A 104 5.870 13.040 -7.090 1.00 0.00 C ATOM 1574 CG LYS A 104 7.102 12.713 -6.243 1.00 0.00 C ATOM 1575 CD LYS A 104 8.018 11.724 -6.968 1.00 0.00 C ATOM 1576 CE LYS A 104 9.272 11.432 -6.142 1.00 0.00 C ATOM 1577 NZ LYS A 104 10.308 12.458 -6.392 1.00 0.00 N ATOM 0 H LYS A 104 3.904 12.708 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 104 3.955 12.219 -7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.039 12.727 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.711 14.118 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.651 13.629 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.790 12.292 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.479 10.796 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.304 12.131 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.020 11.412 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.660 10.446 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.152 12.245 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.561 12.458 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.940 13.394 -6.128 1.00 0.00 H new ATOM 1591 N PRO A 105 5.166 9.995 -6.906 1.00 0.00 N ATOM 1592 CA PRO A 105 5.446 8.624 -6.514 1.00 0.00 C ATOM 1593 C PRO A 105 6.854 8.496 -5.931 1.00 0.00 C ATOM 1594 O PRO A 105 7.806 8.208 -6.654 1.00 0.00 O ATOM 1595 CB PRO A 105 5.252 7.806 -7.781 1.00 0.00 C ATOM 1596 CG PRO A 105 5.326 8.796 -8.932 1.00 0.00 C ATOM 1597 CD PRO A 105 5.209 10.195 -8.351 1.00 0.00 C ATOM 0 HA PRO A 105 4.787 8.271 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.023 7.041 -7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.291 7.291 -7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.266 8.684 -9.472 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.524 8.611 -9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.057 10.816 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.310 10.698 -8.708 1.00 0.00 H new ATOM 1605 N VAL A 106 6.942 8.718 -4.627 1.00 0.00 N ATOM 1606 CA VAL A 106 8.218 8.631 -3.938 1.00 0.00 C ATOM 1607 C VAL A 106 8.910 7.320 -4.316 1.00 0.00 C ATOM 1608 O VAL A 106 8.248 6.337 -4.646 1.00 0.00 O ATOM 1609 CB VAL A 106 8.010 8.784 -2.430 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.591 10.212 -2.076 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.989 7.768 -1.912 1.00 0.00 C ATOM 0 H VAL A 106 6.150 8.958 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 106 8.874 9.445 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 106 8.962 8.583 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.450 10.293 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.367 10.908 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.657 10.454 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.859 7.898 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.034 7.923 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.345 6.758 -2.115 1.00 0.00 H new ATOM 1621 N GLU A 107 10.233 7.347 -4.256 1.00 0.00 N ATOM 1622 CA GLU A 107 11.022 6.173 -4.589 1.00 0.00 C ATOM 1623 C GLU A 107 10.685 5.021 -3.639 1.00 0.00 C ATOM 1624 O GLU A 107 10.310 5.249 -2.490 1.00 0.00 O ATOM 1625 CB GLU A 107 12.518 6.490 -4.557 1.00 0.00 C ATOM 1626 CG GLU A 107 13.068 6.396 -3.132 1.00 0.00 C ATOM 1627 CD GLU A 107 14.171 7.431 -2.900 1.00 0.00 C ATOM 1628 OE1 GLU A 107 13.816 8.625 -2.801 1.00 0.00 O ATOM 1629 OE2 GLU A 107 15.344 7.004 -2.828 1.00 0.00 O ATOM 0 H GLU A 107 10.779 8.164 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 107 10.771 5.867 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.054 5.796 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.690 7.491 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 107 12.261 6.553 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.461 5.395 -2.955 1.00 0.00 H new ATOM 1636 N MET A 108 10.831 3.810 -4.155 1.00 0.00 N ATOM 1637 CA MET A 108 10.547 2.622 -3.367 1.00 0.00 C ATOM 1638 C MET A 108 11.841 1.964 -2.881 1.00 0.00 C ATOM 1639 O MET A 108 12.191 0.873 -3.327 1.00 0.00 O ATOM 1640 CB MET A 108 9.754 1.625 -4.214 1.00 0.00 C ATOM 1641 CG MET A 108 8.255 1.925 -4.152 1.00 0.00 C ATOM 1642 SD MET A 108 7.359 0.769 -5.176 1.00 0.00 S ATOM 1643 CE MET A 108 7.319 1.679 -6.710 1.00 0.00 C ATOM 0 H MET A 108 11.142 3.625 -5.109 1.00 0.00 H new ATOM 0 HA MET A 108 9.962 2.918 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.095 1.669 -5.248 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.941 0.611 -3.859 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.905 1.859 -3.122 1.00 0.00 H new ATOM 0 HG3 MET A 108 8.065 2.944 -4.488 1.00 0.00 H new ATOM 0 HE1 MET A 108 6.336 2.132 -6.839 1.00 0.00 H new ATOM 0 HE2 MET A 108 8.079 2.460 -6.690 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.518 1.001 -7.540 1.00 0.00 H new ATOM 1653 N THR A 109 12.514 2.656 -1.974 1.00 0.00 N ATOM 1654 CA THR A 109 13.761 2.153 -1.423 1.00 0.00 C ATOM 1655 C THR A 109 13.575 0.728 -0.898 1.00 0.00 C ATOM 1656 O THR A 109 14.520 -0.060 -0.881 1.00 0.00 O ATOM 1657 CB THR A 109 14.237 3.137 -0.353 1.00 0.00 C ATOM 1658 OG1 THR A 109 13.165 3.174 0.585 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.325 4.573 -0.875 1.00 0.00 C ATOM 0 H THR A 109 12.220 3.561 -1.607 1.00 0.00 H new ATOM 0 HA THR A 109 14.533 2.086 -2.189 1.00 0.00 H new ATOM 0 HB THR A 109 15.213 2.825 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.927 4.106 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.668 5.230 -0.076 1.00 0.00 H new ATOM 0 HG22 THR A 109 15.029 4.615 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.342 4.897 -1.215 1.00 0.00 H new ATOM 1667 N GLY A 110 12.351 0.439 -0.483 1.00 0.00 N ATOM 1668 CA GLY A 110 12.029 -0.877 0.041 1.00 0.00 C ATOM 1669 C GLY A 110 11.226 -0.769 1.339 1.00 0.00 C ATOM 1670 O GLY A 110 10.323 -1.569 1.583 1.00 0.00 O ATOM 0 H GLY A 110 11.570 1.094 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.457 -1.437 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.948 -1.435 0.223 1.00 0.00 H new ATOM 1674 N LYS A 111 11.584 0.226 2.138 1.00 0.00 N ATOM 1675 CA LYS A 111 10.908 0.448 3.405 1.00 0.00 C ATOM 1676 C LYS A 111 9.406 0.607 3.156 1.00 0.00 C ATOM 1677 O LYS A 111 8.590 0.074 3.905 1.00 0.00 O ATOM 1678 CB LYS A 111 11.536 1.629 4.147 1.00 0.00 C ATOM 1679 CG LYS A 111 11.357 2.929 3.360 1.00 0.00 C ATOM 1680 CD LYS A 111 12.455 3.936 3.707 1.00 0.00 C ATOM 1681 CE LYS A 111 11.907 5.365 3.715 1.00 0.00 C ATOM 1682 NZ LYS A 111 13.008 6.343 3.573 1.00 0.00 N ATOM 0 H LYS A 111 12.333 0.887 1.932 1.00 0.00 H new ATOM 0 HA LYS A 111 11.034 -0.414 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.078 1.730 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.597 1.440 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.378 2.717 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.380 3.360 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.875 3.699 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.267 3.858 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.193 5.492 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.367 5.549 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.619 7.307 3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.675 6.233 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.506 6.177 2.675 1.00 0.00 H new ATOM 1696 N HIS A 112 9.088 1.342 2.100 1.00 0.00 N ATOM 1697 CA HIS A 112 7.700 1.577 1.743 1.00 0.00 C ATOM 1698 C HIS A 112 6.986 0.238 1.548 1.00 0.00 C ATOM 1699 O HIS A 112 5.799 0.113 1.847 1.00 0.00 O ATOM 1700 CB HIS A 112 7.601 2.486 0.516 1.00 0.00 C ATOM 1701 CG HIS A 112 8.263 3.831 0.694 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.933 4.478 -0.330 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.351 4.644 1.785 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.400 5.627 0.135 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.039 5.728 1.446 1.00 0.00 N ATOM 0 H HIS A 112 9.768 1.782 1.480 1.00 0.00 H new ATOM 0 HA HIS A 112 7.196 2.103 2.554 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.054 1.979 -0.336 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.549 2.639 0.274 1.00 0.00 H new ATOM 0 HD1 HIS A 112 9.048 4.129 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.932 4.441 2.760 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.967 6.356 -0.426 1.00 0.00 H new ATOM 1713 N GLN A 113 7.739 -0.730 1.048 1.00 0.00 N ATOM 1714 CA GLN A 113 7.194 -2.056 0.809 1.00 0.00 C ATOM 1715 C GLN A 113 6.982 -2.789 2.135 1.00 0.00 C ATOM 1716 O GLN A 113 7.914 -2.937 2.923 1.00 0.00 O ATOM 1717 CB GLN A 113 8.099 -2.862 -0.124 1.00 0.00 C ATOM 1718 CG GLN A 113 8.482 -2.043 -1.359 1.00 0.00 C ATOM 1719 CD GLN A 113 7.770 -2.569 -2.607 1.00 0.00 C ATOM 1720 OE1 GLN A 113 6.871 -3.390 -2.541 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.223 -2.051 -3.746 1.00 0.00 N ATOM 0 H GLN A 113 8.723 -0.623 0.801 1.00 0.00 H new ATOM 0 HA GLN A 113 6.227 -1.947 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.000 -3.165 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.589 -3.775 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.221 -0.996 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.561 -2.084 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.979 -1.367 -3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.814 -2.338 -4.635 1.00 0.00 H new ATOM 1730 N LEU A 114 5.749 -3.229 2.341 1.00 0.00 N ATOM 1731 CA LEU A 114 5.402 -3.944 3.558 1.00 0.00 C ATOM 1732 C LEU A 114 6.551 -4.880 3.939 1.00 0.00 C ATOM 1733 O LEU A 114 7.217 -4.672 4.952 1.00 0.00 O ATOM 1734 CB LEU A 114 4.057 -4.654 3.398 1.00 0.00 C ATOM 1735 CG LEU A 114 2.864 -3.761 3.048 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.964 -2.410 3.760 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.725 -3.601 1.533 1.00 0.00 C ATOM 0 H LEU A 114 4.978 -3.104 1.685 1.00 0.00 H new ATOM 0 HA LEU A 114 5.271 -3.247 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.159 -5.411 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.833 -5.178 4.327 1.00 0.00 H new ATOM 0 HG LEU A 114 1.956 -4.247 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.105 -1.794 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.978 -2.567 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.880 -1.905 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.870 -2.962 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.631 -3.148 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.575 -4.579 1.076 1.00 0.00 H new