USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 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 33 CYS SG : rot -92:sc= 0.1 USER MOD Set 1.2: A 59 CYS SG : rot -80:sc= -0.389 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -0.807 K(o=-11,f=-11) USER MOD Set 1.4: A 102 CYS SG : rot 40:sc= -9.58! USER MOD Set 2.1: A 86 ASN : amide:sc= -0.106 K(o=-1.4,f=-4.3!) USER MOD Set 2.2: A 103 SER OG : rot -150:sc= -1.3 USER MOD Set 3.1: A 56 THR OG1 : rot 119:sc= 0.872 USER MOD Set 3.2: A 66 SER OG : rot -38:sc= 0.673 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.375 F(o=-2.6,f=-0.37) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 151:sc= -3.55 (180deg=-8.21!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 134:sc= 0.339 (180deg=-1.4!) USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= -0.311 (180deg=-1.25!) USER MOD Single : A 61 SER OG : rot -100:sc= -0.0293 USER MOD Single : A 65 SER OG : rot 180:sc= -0.86 USER MOD Single : A 67 SER OG : rot -52:sc= 1.08 USER MOD Single : A 70 THR OG1 : rot 115:sc= 0.668 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 83 THR OG1 : rot -93:sc= 1.13 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 168:sc= -0.554 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -119:sc= -0.186 (180deg=-1.34) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0443 USER MOD Single : A 118 LYS NZ :NH3+ -165:sc= -0.244 (180deg=-0.855) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0716 X(o=-0.072,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.204 -13.099 -2.516 1.00 0.00 N ATOM 282 CA ASN A 22 -9.689 -12.219 -1.459 1.00 0.00 C ATOM 283 C ASN A 22 -8.661 -11.139 -1.135 1.00 0.00 C ATOM 284 O ASN A 22 -9.009 -10.055 -0.668 1.00 0.00 O ATOM 285 CB ASN A 22 -10.010 -13.027 -0.200 1.00 0.00 C ATOM 286 CG ASN A 22 -8.822 -13.833 0.288 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.832 -13.147 0.848 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.794 -15.057 0.163 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.599 -11.735 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.335 -12.350 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.842 -13.700 -0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.577 -15.543 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.988 -15.585 0.496 1.00 0.00 H new ATOM 295 N VAL A 23 -7.392 -11.444 -1.388 1.00 0.00 N ATOM 296 CA VAL A 23 -6.312 -10.500 -1.125 1.00 0.00 C ATOM 297 C VAL A 23 -5.588 -10.121 -2.412 1.00 0.00 C ATOM 298 O VAL A 23 -5.109 -10.985 -3.145 1.00 0.00 O ATOM 299 CB VAL A 23 -5.292 -11.077 -0.126 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.873 -12.480 -0.541 1.00 0.00 C ATOM 301 CG2 VAL A 23 -4.082 -10.163 -0.013 1.00 0.00 C ATOM 0 H VAL A 23 -7.087 -12.337 -1.775 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.769 -9.610 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.765 -11.139 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.152 -12.872 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.749 -13.129 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.418 -12.446 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.371 -10.586 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.606 -10.067 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.400 -9.180 0.334 1.00 0.00 H new ATOM 311 N GLY A 24 -5.511 -8.821 -2.681 1.00 0.00 N ATOM 312 CA GLY A 24 -4.844 -8.349 -3.881 1.00 0.00 C ATOM 313 C GLY A 24 -3.362 -8.114 -3.665 1.00 0.00 C ATOM 314 O GLY A 24 -2.880 -8.138 -2.532 1.00 0.00 O ATOM 0 H GLY A 24 -5.899 -8.086 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.981 -9.078 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.311 -7.422 -4.212 1.00 0.00 H new ATOM 318 N THR A 25 -2.635 -7.887 -4.755 1.00 0.00 N ATOM 319 CA THR A 25 -1.199 -7.650 -4.680 1.00 0.00 C ATOM 320 C THR A 25 -0.787 -6.487 -5.576 1.00 0.00 C ATOM 321 O THR A 25 -0.893 -6.565 -6.799 1.00 0.00 O ATOM 322 CB THR A 25 -0.401 -8.903 -5.085 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.930 -10.057 -4.422 1.00 0.00 O ATOM 324 CG2 THR A 25 1.071 -8.743 -4.736 1.00 0.00 C ATOM 0 H THR A 25 -3.018 -7.862 -5.700 1.00 0.00 H new ATOM 0 HA THR A 25 -0.973 -7.404 -3.642 1.00 0.00 H new ATOM 0 HB THR A 25 -0.491 -9.031 -6.164 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.418 -10.850 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.615 -9.640 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.479 -7.881 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.176 -8.592 -3.662 1.00 0.00 H new ATOM 332 N GLY A 26 -0.315 -5.408 -4.958 1.00 0.00 N ATOM 333 CA GLY A 26 0.106 -4.245 -5.716 1.00 0.00 C ATOM 334 C GLY A 26 1.577 -3.931 -5.526 1.00 0.00 C ATOM 335 O GLY A 26 1.992 -3.486 -4.455 1.00 0.00 O ATOM 0 H GLY A 26 -0.217 -5.319 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.093 -4.413 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.489 -3.383 -5.413 1.00 0.00 H new ATOM 339 N LEU A 27 2.369 -4.165 -6.567 1.00 0.00 N ATOM 340 CA LEU A 27 3.804 -3.906 -6.510 1.00 0.00 C ATOM 341 C LEU A 27 4.181 -2.730 -7.406 1.00 0.00 C ATOM 342 O LEU A 27 4.045 -2.798 -8.628 1.00 0.00 O ATOM 343 CB LEU A 27 4.584 -5.152 -6.930 1.00 0.00 C ATOM 344 CG LEU A 27 6.105 -5.006 -6.984 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.616 -4.286 -5.746 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.768 -6.369 -7.123 1.00 0.00 C ATOM 0 H LEU A 27 2.042 -4.533 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 27 4.062 -3.653 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.341 -5.958 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.234 -5.461 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 27 6.362 -4.409 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.700 -4.191 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.167 -3.294 -5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.347 -4.856 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.850 -6.245 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.503 -6.991 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.426 -6.848 -8.041 1.00 0.00 H new ATOM 358 N VAL A 28 4.657 -1.653 -6.790 1.00 0.00 N ATOM 359 CA VAL A 28 5.058 -0.463 -7.532 1.00 0.00 C ATOM 360 C VAL A 28 6.417 0.045 -7.064 1.00 0.00 C ATOM 361 O VAL A 28 6.591 0.399 -5.898 1.00 0.00 O ATOM 362 CB VAL A 28 4.021 0.667 -7.383 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.730 0.304 -8.101 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.759 0.959 -5.913 1.00 0.00 C ATOM 0 H VAL A 28 4.774 -1.580 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 28 5.123 -0.751 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 28 4.424 1.570 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.009 1.113 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.934 0.149 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.320 -0.611 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.024 1.760 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.377 0.062 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.688 1.265 -5.432 1.00 0.00 H new ATOM 374 N GLY A 29 7.378 0.079 -7.982 1.00 0.00 N ATOM 375 CA GLY A 29 8.710 0.546 -7.644 1.00 0.00 C ATOM 376 C GLY A 29 9.131 1.746 -8.469 1.00 0.00 C ATOM 377 O GLY A 29 8.481 2.086 -9.457 1.00 0.00 O ATOM 0 H GLY A 29 7.258 -0.208 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.743 0.807 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.424 -0.263 -7.795 1.00 0.00 H new ATOM 381 N ALA A 30 10.220 2.389 -8.062 1.00 0.00 N ATOM 382 CA ALA A 30 10.726 3.558 -8.771 1.00 0.00 C ATOM 383 C ALA A 30 11.862 3.178 -9.715 1.00 0.00 C ATOM 384 O ALA A 30 12.807 2.484 -9.340 1.00 0.00 O ATOM 385 CB ALA A 30 11.192 4.615 -7.781 1.00 0.00 C ATOM 0 H ALA A 30 10.769 2.120 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 30 9.913 3.969 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.567 5.482 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.356 4.916 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.987 4.205 -7.158 1.00 0.00 H new ATOM 391 N PRO A 31 11.770 3.642 -10.970 1.00 0.00 N ATOM 392 CA PRO A 31 12.781 3.362 -11.994 1.00 0.00 C ATOM 393 C PRO A 31 14.097 4.083 -11.720 1.00 0.00 C ATOM 394 O PRO A 31 15.172 3.492 -11.823 1.00 0.00 O ATOM 395 CB PRO A 31 12.140 3.890 -13.280 1.00 0.00 C ATOM 396 CG PRO A 31 11.182 4.936 -12.824 1.00 0.00 C ATOM 397 CD PRO A 31 10.671 4.475 -11.487 1.00 0.00 C ATOM 0 HA PRO A 31 13.039 2.304 -12.034 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.889 4.306 -13.954 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.629 3.095 -13.823 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.673 5.905 -12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.364 5.053 -13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.459 5.316 -10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.747 3.905 -11.585 1.00 0.00 H new ATOM 405 N ALA A 32 14.005 5.362 -11.372 1.00 0.00 N ATOM 406 CA ALA A 32 15.188 6.162 -11.081 1.00 0.00 C ATOM 407 C ALA A 32 15.839 5.723 -9.774 1.00 0.00 C ATOM 408 O ALA A 32 16.940 5.170 -9.771 1.00 0.00 O ATOM 409 CB ALA A 32 14.826 7.638 -11.023 1.00 0.00 C ATOM 0 H ALA A 32 13.123 5.867 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 32 15.908 6.008 -11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.719 8.223 -10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.413 7.949 -11.983 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.085 7.801 -10.240 1.00 0.00 H new ATOM 415 N CYS A 33 15.154 5.974 -8.663 1.00 0.00 N ATOM 416 CA CYS A 33 15.666 5.606 -7.349 1.00 0.00 C ATOM 417 C CYS A 33 15.902 4.101 -7.258 1.00 0.00 C ATOM 418 O CYS A 33 16.808 3.645 -6.563 1.00 0.00 O ATOM 419 CB CYS A 33 14.689 6.047 -6.257 1.00 0.00 C ATOM 420 SG CYS A 33 15.426 6.137 -4.593 1.00 0.00 S ATOM 0 H CYS A 33 14.242 6.431 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 33 16.619 6.114 -7.203 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.287 7.026 -6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.849 5.353 -6.234 1.00 0.00 H new ATOM 0 HG CYS A 33 15.257 5.002 -3.981 1.00 0.00 H new ATOM 425 N GLY A 34 15.078 3.335 -7.967 1.00 0.00 N ATOM 426 CA GLY A 34 15.213 1.890 -7.954 1.00 0.00 C ATOM 427 C GLY A 34 14.686 1.270 -6.675 1.00 0.00 C ATOM 428 O GLY A 34 15.413 0.570 -5.970 1.00 0.00 O ATOM 0 H GLY A 34 14.320 3.689 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.677 1.470 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.263 1.625 -8.077 1.00 0.00 H new ATOM 432 N ASP A 35 13.418 1.530 -6.372 1.00 0.00 N ATOM 433 CA ASP A 35 12.794 0.993 -5.169 1.00 0.00 C ATOM 434 C ASP A 35 11.763 -0.075 -5.521 1.00 0.00 C ATOM 435 O ASP A 35 11.256 -0.117 -6.642 1.00 0.00 O ATOM 436 CB ASP A 35 12.131 2.115 -4.368 1.00 0.00 C ATOM 437 CG ASP A 35 13.097 3.233 -4.030 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.322 3.000 -4.096 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.628 4.342 -3.699 1.00 0.00 O ATOM 0 H ASP A 35 12.803 2.109 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 35 13.573 0.534 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.296 2.521 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.718 1.705 -3.447 1.00 0.00 H new ATOM 444 N VAL A 36 11.459 -0.938 -4.557 1.00 0.00 N ATOM 445 CA VAL A 36 10.488 -2.006 -4.765 1.00 0.00 C ATOM 446 C VAL A 36 9.527 -2.112 -3.587 1.00 0.00 C ATOM 447 O VAL A 36 9.846 -2.721 -2.566 1.00 0.00 O ATOM 448 CB VAL A 36 11.185 -3.364 -4.970 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.156 -4.471 -5.142 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.123 -3.306 -6.165 1.00 0.00 C ATOM 0 H VAL A 36 11.871 -0.919 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 36 9.927 -1.754 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 36 11.778 -3.587 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.667 -5.423 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.529 -4.526 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.534 -4.258 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.607 -4.274 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.555 -3.061 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.881 -2.541 -5.996 1.00 0.00 H new ATOM 460 N MET A 37 8.348 -1.517 -3.736 1.00 0.00 N ATOM 461 CA MET A 37 7.339 -1.546 -2.684 1.00 0.00 C ATOM 462 C MET A 37 6.201 -2.494 -3.049 1.00 0.00 C ATOM 463 O MET A 37 5.360 -2.176 -3.891 1.00 0.00 O ATOM 464 CB MET A 37 6.788 -0.141 -2.436 1.00 0.00 C ATOM 465 CG MET A 37 6.014 -0.012 -1.134 1.00 0.00 C ATOM 466 SD MET A 37 4.245 -0.292 -1.348 1.00 0.00 S ATOM 467 CE MET A 37 3.571 1.118 -0.473 1.00 0.00 C ATOM 0 H MET A 37 8.068 -1.009 -4.575 1.00 0.00 H new ATOM 0 HA MET A 37 7.812 -1.908 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.615 0.569 -2.429 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.137 0.137 -3.265 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.406 -0.726 -0.410 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.173 0.983 -0.718 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.611 1.392 -0.910 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.432 0.862 0.577 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.259 1.959 -0.554 1.00 0.00 H new ATOM 477 N LYS A 38 6.179 -3.659 -2.411 1.00 0.00 N ATOM 478 CA LYS A 38 5.144 -4.654 -2.668 1.00 0.00 C ATOM 479 C LYS A 38 4.053 -4.589 -1.604 1.00 0.00 C ATOM 480 O LYS A 38 4.238 -5.058 -0.480 1.00 0.00 O ATOM 481 CB LYS A 38 5.754 -6.057 -2.704 1.00 0.00 C ATOM 482 CG LYS A 38 4.879 -7.082 -3.405 1.00 0.00 C ATOM 483 CD LYS A 38 5.565 -8.435 -3.491 1.00 0.00 C ATOM 484 CE LYS A 38 5.116 -9.210 -4.720 1.00 0.00 C ATOM 485 NZ LYS A 38 5.892 -10.470 -4.895 1.00 0.00 N ATOM 0 H LYS A 38 6.867 -3.938 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 38 4.696 -4.435 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.720 -6.011 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.942 -6.389 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.936 -7.185 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.638 -6.731 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.646 -8.295 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.345 -9.014 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.055 -9.446 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.232 -8.586 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.556 -10.969 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.901 -10.244 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.761 -11.077 -4.061 1.00 0.00 H new ATOM 499 N LEU A 39 2.914 -4.007 -1.966 1.00 0.00 N ATOM 500 CA LEU A 39 1.792 -3.883 -1.043 1.00 0.00 C ATOM 501 C LEU A 39 0.810 -5.037 -1.221 1.00 0.00 C ATOM 502 O LEU A 39 0.602 -5.521 -2.333 1.00 0.00 O ATOM 503 CB LEU A 39 1.073 -2.550 -1.259 1.00 0.00 C ATOM 504 CG LEU A 39 0.226 -2.047 -0.090 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.092 -1.309 0.919 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.895 -1.148 -0.592 1.00 0.00 C ATOM 0 H LEU A 39 2.744 -3.614 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 39 2.185 -3.917 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.820 -1.791 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.429 -2.645 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.220 -2.908 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.471 -0.959 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.858 -1.983 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.568 -0.456 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.488 -0.799 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.468 -0.292 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.533 -1.709 -1.275 1.00 0.00 H new ATOM 518 N GLN A 40 0.210 -5.472 -0.117 1.00 0.00 N ATOM 519 CA GLN A 40 -0.751 -6.568 -0.152 1.00 0.00 C ATOM 520 C GLN A 40 -1.808 -6.401 0.934 1.00 0.00 C ATOM 521 O GLN A 40 -1.483 -6.271 2.115 1.00 0.00 O ATOM 522 CB GLN A 40 -0.034 -7.909 0.020 1.00 0.00 C ATOM 523 CG GLN A 40 0.395 -8.542 -1.294 1.00 0.00 C ATOM 524 CD GLN A 40 1.131 -9.853 -1.097 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.357 -9.910 -1.190 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.383 -10.916 -0.824 1.00 0.00 N ATOM 0 H GLN A 40 0.372 -5.082 0.812 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.248 -6.551 -1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.845 -7.764 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.692 -8.599 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.484 -8.713 -1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.037 -7.847 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.630 -10.823 -0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.822 -11.826 -0.682 1.00 0.00 H new ATOM 535 N ILE A 41 -3.073 -6.405 0.527 1.00 0.00 N ATOM 536 CA ILE A 41 -4.177 -6.254 1.467 1.00 0.00 C ATOM 537 C ILE A 41 -5.176 -7.398 1.329 1.00 0.00 C ATOM 538 O ILE A 41 -5.464 -7.853 0.222 1.00 0.00 O ATOM 539 CB ILE A 41 -4.913 -4.917 1.260 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.555 -4.872 -0.128 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.954 -3.751 1.445 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.974 -5.395 -0.155 1.00 0.00 C ATOM 0 H ILE A 41 -3.359 -6.511 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.745 -6.271 2.468 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.703 -4.834 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.549 -3.844 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.948 -5.456 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.489 -2.813 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.541 -3.776 2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.145 -3.827 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.365 -5.333 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.985 -6.434 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.595 -4.796 0.511 1.00 0.00 H new ATOM 554 N GLN A 42 -5.702 -7.856 2.460 1.00 0.00 N ATOM 555 CA GLN A 42 -6.670 -8.947 2.465 1.00 0.00 C ATOM 556 C GLN A 42 -8.088 -8.415 2.649 1.00 0.00 C ATOM 557 O GLN A 42 -8.413 -7.828 3.681 1.00 0.00 O ATOM 558 CB GLN A 42 -6.340 -9.946 3.575 1.00 0.00 C ATOM 559 CG GLN A 42 -7.010 -11.298 3.396 1.00 0.00 C ATOM 560 CD GLN A 42 -6.867 -12.187 4.616 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.788 -12.303 5.425 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.709 -12.820 4.755 1.00 0.00 N ATOM 0 H GLN A 42 -5.475 -7.489 3.384 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.613 -9.454 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.260 -10.088 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.642 -9.524 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.068 -11.149 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.578 -11.802 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.973 -12.695 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.555 -13.432 5.557 1.00 0.00 H new ATOM 571 N VAL A 43 -8.929 -8.624 1.641 1.00 0.00 N ATOM 572 CA VAL A 43 -10.312 -8.166 1.692 1.00 0.00 C ATOM 573 C VAL A 43 -11.240 -9.275 2.175 1.00 0.00 C ATOM 574 O VAL A 43 -11.125 -10.425 1.750 1.00 0.00 O ATOM 575 CB VAL A 43 -10.792 -7.675 0.313 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.257 -7.270 0.370 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.929 -6.518 -0.169 1.00 0.00 C ATOM 0 H VAL A 43 -8.676 -9.108 0.779 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.345 -7.335 2.397 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.694 -8.494 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.578 -6.926 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.860 -8.127 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.384 -6.466 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.281 -6.183 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.994 -5.695 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.893 -6.846 -0.251 1.00 0.00 H new ATOM 587 N ASP A 44 -12.161 -8.922 3.065 1.00 0.00 N ATOM 588 CA ASP A 44 -13.111 -9.887 3.606 1.00 0.00 C ATOM 589 C ASP A 44 -14.388 -9.919 2.771 1.00 0.00 C ATOM 590 O ASP A 44 -14.484 -9.250 1.743 1.00 0.00 O ATOM 591 CB ASP A 44 -13.446 -9.547 5.059 1.00 0.00 C ATOM 592 CG ASP A 44 -14.027 -8.154 5.208 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.963 -7.818 4.453 1.00 0.00 O ATOM 594 OD2 ASP A 44 -13.546 -7.402 6.081 1.00 0.00 O ATOM 0 H ASP A 44 -12.270 -7.975 3.427 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.649 -10.874 3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -14.157 -10.277 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.544 -9.628 5.665 1.00 0.00 H new ATOM 599 N GLU A 45 -15.364 -10.701 3.221 1.00 0.00 N ATOM 600 CA GLU A 45 -16.633 -10.821 2.514 1.00 0.00 C ATOM 601 C GLU A 45 -17.338 -9.470 2.428 1.00 0.00 C ATOM 602 O GLU A 45 -17.916 -9.122 1.398 1.00 0.00 O ATOM 603 CB GLU A 45 -17.538 -11.837 3.213 1.00 0.00 C ATOM 604 CG GLU A 45 -17.857 -11.478 4.655 1.00 0.00 C ATOM 605 CD GLU A 45 -18.443 -12.641 5.431 1.00 0.00 C ATOM 606 OE1 GLU A 45 -17.992 -13.785 5.213 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.353 -12.408 6.254 1.00 0.00 O ATOM 0 H GLU A 45 -15.300 -11.260 4.071 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.424 -11.168 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.470 -11.925 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.058 -12.815 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.948 -11.137 5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.560 -10.645 4.671 1.00 0.00 H new ATOM 614 N LYS A 46 -17.286 -8.713 3.518 1.00 0.00 N ATOM 615 CA LYS A 46 -17.918 -7.399 3.569 1.00 0.00 C ATOM 616 C LYS A 46 -17.217 -6.422 2.631 1.00 0.00 C ATOM 617 O LYS A 46 -17.787 -5.404 2.240 1.00 0.00 O ATOM 618 CB LYS A 46 -17.897 -6.855 4.999 1.00 0.00 C ATOM 619 CG LYS A 46 -18.611 -7.747 6.000 1.00 0.00 C ATOM 620 CD LYS A 46 -19.203 -6.940 7.143 1.00 0.00 C ATOM 621 CE LYS A 46 -20.448 -7.605 7.709 1.00 0.00 C ATOM 622 NZ LYS A 46 -21.682 -7.164 7.001 1.00 0.00 N ATOM 0 H LYS A 46 -16.813 -8.986 4.379 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.953 -7.508 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.862 -6.726 5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.359 -5.868 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.403 -8.300 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.911 -8.483 6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.460 -6.826 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.452 -5.939 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.350 -8.688 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.535 -7.371 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -22.509 -7.639 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -21.789 -6.134 7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.611 -7.410 5.993 1.00 0.00 H new ATOM 636 N GLY A 47 -15.976 -6.739 2.272 1.00 0.00 N ATOM 637 CA GLY A 47 -15.218 -5.879 1.382 1.00 0.00 C ATOM 638 C GLY A 47 -14.358 -4.882 2.133 1.00 0.00 C ATOM 639 O GLY A 47 -13.989 -3.839 1.593 1.00 0.00 O ATOM 0 H GLY A 47 -15.482 -7.576 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.583 -6.492 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.905 -5.342 0.728 1.00 0.00 H new ATOM 643 N LYS A 48 -14.038 -5.202 3.382 1.00 0.00 N ATOM 644 CA LYS A 48 -13.216 -4.327 4.210 1.00 0.00 C ATOM 645 C LYS A 48 -11.814 -4.902 4.384 1.00 0.00 C ATOM 646 O LYS A 48 -11.644 -6.113 4.528 1.00 0.00 O ATOM 647 CB LYS A 48 -13.870 -4.123 5.578 1.00 0.00 C ATOM 648 CG LYS A 48 -13.122 -3.147 6.470 1.00 0.00 C ATOM 649 CD LYS A 48 -12.068 -3.851 7.307 1.00 0.00 C ATOM 650 CE LYS A 48 -12.638 -4.333 8.632 1.00 0.00 C ATOM 651 NZ LYS A 48 -12.527 -3.295 9.694 1.00 0.00 N ATOM 0 H LYS A 48 -14.336 -6.062 3.844 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.134 -3.364 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.889 -3.763 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.940 -5.085 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.648 -2.381 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.828 -2.638 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.668 -4.699 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.236 -3.171 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.685 -4.606 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.111 -5.233 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.430 -3.224 10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.772 -3.558 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.302 -2.377 9.260 1.00 0.00 H new ATOM 665 N ILE A 49 -10.815 -4.026 4.371 1.00 0.00 N ATOM 666 CA ILE A 49 -9.429 -4.448 4.531 1.00 0.00 C ATOM 667 C ILE A 49 -9.149 -4.887 5.964 1.00 0.00 C ATOM 668 O ILE A 49 -9.105 -4.064 6.879 1.00 0.00 O ATOM 669 CB ILE A 49 -8.450 -3.321 4.151 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.597 -2.967 2.669 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.020 -3.735 4.462 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.258 -1.526 2.356 1.00 0.00 C ATOM 0 H ILE A 49 -10.939 -3.021 4.251 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.277 -5.293 3.859 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.689 -2.437 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.951 -3.620 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.622 -3.167 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.340 -2.928 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.925 -3.943 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.769 -4.630 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.384 -1.346 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.921 -0.866 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.224 -1.326 2.638 1.00 0.00 H new ATOM 684 N VAL A 50 -8.959 -6.189 6.152 1.00 0.00 N ATOM 685 CA VAL A 50 -8.680 -6.738 7.474 1.00 0.00 C ATOM 686 C VAL A 50 -7.183 -6.936 7.682 1.00 0.00 C ATOM 687 O VAL A 50 -6.700 -6.957 8.815 1.00 0.00 O ATOM 688 CB VAL A 50 -9.399 -8.083 7.686 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.905 -7.880 7.745 1.00 0.00 C ATOM 690 CG2 VAL A 50 -9.027 -9.065 6.585 1.00 0.00 C ATOM 0 H VAL A 50 -8.993 -6.883 5.406 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.053 -6.017 8.201 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.076 -8.502 8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.396 -8.841 7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.150 -7.214 8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.250 -7.439 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.544 -10.010 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.320 -8.656 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.950 -9.234 6.596 1.00 0.00 H new ATOM 700 N ASP A 51 -6.452 -7.079 6.582 1.00 0.00 N ATOM 701 CA ASP A 51 -5.008 -7.274 6.643 1.00 0.00 C ATOM 702 C ASP A 51 -4.298 -6.398 5.616 1.00 0.00 C ATOM 703 O ASP A 51 -4.765 -6.244 4.488 1.00 0.00 O ATOM 704 CB ASP A 51 -4.660 -8.744 6.407 1.00 0.00 C ATOM 705 CG ASP A 51 -3.277 -9.101 6.915 1.00 0.00 C ATOM 706 OD1 ASP A 51 -2.286 -8.610 6.334 1.00 0.00 O ATOM 707 OD2 ASP A 51 -3.184 -9.871 7.894 1.00 0.00 O ATOM 0 H ASP A 51 -6.836 -7.064 5.637 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.668 -6.984 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.399 -9.373 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.719 -8.962 5.341 1.00 0.00 H new ATOM 712 N ALA A 52 -3.166 -5.826 6.015 1.00 0.00 N ATOM 713 CA ALA A 52 -2.391 -4.967 5.129 1.00 0.00 C ATOM 714 C ALA A 52 -0.899 -5.263 5.243 1.00 0.00 C ATOM 715 O ALA A 52 -0.379 -5.466 6.340 1.00 0.00 O ATOM 716 CB ALA A 52 -2.665 -3.503 5.440 1.00 0.00 C ATOM 0 H ALA A 52 -2.766 -5.942 6.946 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.699 -5.173 4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.079 -2.873 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.726 -3.294 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.387 -3.292 6.473 1.00 0.00 H new ATOM 722 N ARG A 53 -0.217 -5.288 4.103 1.00 0.00 N ATOM 723 CA ARG A 53 1.215 -5.562 4.075 1.00 0.00 C ATOM 724 C ARG A 53 1.969 -4.445 3.360 1.00 0.00 C ATOM 725 O ARG A 53 1.385 -3.684 2.587 1.00 0.00 O ATOM 726 CB ARG A 53 1.487 -6.899 3.384 1.00 0.00 C ATOM 727 CG ARG A 53 0.966 -8.101 4.156 1.00 0.00 C ATOM 728 CD ARG A 53 1.999 -8.617 5.145 1.00 0.00 C ATOM 729 NE ARG A 53 2.963 -9.514 4.513 1.00 0.00 N ATOM 730 CZ ARG A 53 4.140 -9.116 4.044 1.00 0.00 C ATOM 731 NH1 ARG A 53 4.497 -7.842 4.136 1.00 0.00 N ATOM 732 NH2 ARG A 53 4.962 -9.992 3.482 1.00 0.00 N ATOM 0 H ARG A 53 -0.633 -5.122 3.186 1.00 0.00 H new ATOM 0 HA ARG A 53 1.569 -5.614 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.029 -6.887 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.561 -7.010 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.056 -7.826 4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.700 -8.895 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.527 -7.774 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.494 -9.141 5.956 1.00 0.00 H new ATOM 0 HE ARG A 53 2.719 -10.501 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.867 -7.166 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.401 -7.538 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.690 -10.973 3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.866 -9.685 3.122 1.00 0.00 H new ATOM 746 N PHE A 54 3.268 -4.352 3.623 1.00 0.00 N ATOM 747 CA PHE A 54 4.101 -3.327 3.005 1.00 0.00 C ATOM 748 C PHE A 54 5.572 -3.735 3.028 1.00 0.00 C ATOM 749 O PHE A 54 6.182 -3.842 4.092 1.00 0.00 O ATOM 750 CB PHE A 54 3.920 -1.990 3.726 1.00 0.00 C ATOM 751 CG PHE A 54 4.891 -1.780 4.853 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.639 -2.305 6.110 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.057 -1.057 4.655 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.530 -2.115 7.148 1.00 0.00 C ATOM 755 CE2 PHE A 54 6.952 -0.863 5.690 1.00 0.00 C ATOM 756 CZ PHE A 54 6.688 -1.391 6.938 1.00 0.00 C ATOM 0 H PHE A 54 3.767 -4.974 4.260 1.00 0.00 H new ATOM 0 HA PHE A 54 3.788 -3.217 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.031 -1.180 3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.904 -1.932 4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.734 -2.870 6.280 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.268 -0.641 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.322 -2.532 8.122 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.857 -0.299 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.385 -1.238 7.749 1.00 0.00 H new ATOM 766 N LYS A 55 6.134 -3.963 1.846 1.00 0.00 N ATOM 767 CA LYS A 55 7.533 -4.359 1.728 1.00 0.00 C ATOM 768 C LYS A 55 8.286 -3.421 0.789 1.00 0.00 C ATOM 769 O LYS A 55 8.241 -3.579 -0.432 1.00 0.00 O ATOM 770 CB LYS A 55 7.635 -5.798 1.219 1.00 0.00 C ATOM 771 CG LYS A 55 8.887 -6.521 1.685 1.00 0.00 C ATOM 772 CD LYS A 55 8.990 -6.536 3.201 1.00 0.00 C ATOM 773 CE LYS A 55 9.769 -7.745 3.695 1.00 0.00 C ATOM 774 NZ LYS A 55 9.167 -9.023 3.223 1.00 0.00 N ATOM 0 H LYS A 55 5.643 -3.880 0.956 1.00 0.00 H new ATOM 0 HA LYS A 55 7.988 -4.297 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.759 -6.355 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.614 -5.791 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.878 -7.544 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.767 -6.035 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.478 -5.623 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.990 -6.544 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.800 -7.679 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.798 -7.738 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.367 -9.776 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.138 -8.907 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.575 -9.279 2.301 1.00 0.00 H new ATOM 788 N THR A 56 8.980 -2.445 1.366 1.00 0.00 N ATOM 789 CA THR A 56 9.743 -1.483 0.581 1.00 0.00 C ATOM 790 C THR A 56 11.218 -1.864 0.527 1.00 0.00 C ATOM 791 O THR A 56 11.766 -2.402 1.489 1.00 0.00 O ATOM 792 CB THR A 56 9.613 -0.060 1.156 1.00 0.00 C ATOM 793 OG1 THR A 56 8.236 0.329 1.194 1.00 0.00 O ATOM 794 CG2 THR A 56 10.404 0.935 0.321 1.00 0.00 C ATOM 0 H THR A 56 9.029 -2.300 2.374 1.00 0.00 H new ATOM 0 HA THR A 56 9.329 -1.499 -0.427 1.00 0.00 H new ATOM 0 HB THR A 56 10.017 -0.062 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.973 0.510 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.297 1.933 0.746 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.457 0.652 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.026 0.934 -0.701 1.00 0.00 H new ATOM 802 N PHE A 57 11.856 -1.582 -0.604 1.00 0.00 N ATOM 803 CA PHE A 57 13.269 -1.896 -0.784 1.00 0.00 C ATOM 804 C PHE A 57 13.996 -0.752 -1.484 1.00 0.00 C ATOM 805 O PHE A 57 13.817 -0.528 -2.680 1.00 0.00 O ATOM 806 CB PHE A 57 13.428 -3.186 -1.591 1.00 0.00 C ATOM 807 CG PHE A 57 12.863 -4.397 -0.904 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.477 -4.921 0.221 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.718 -5.011 -1.385 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.960 -6.035 0.856 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.195 -6.124 -0.754 1.00 0.00 C ATOM 812 CZ PHE A 57 11.818 -6.637 0.367 1.00 0.00 C ATOM 0 H PHE A 57 11.417 -1.137 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 57 13.713 -2.035 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.937 -3.064 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.487 -3.352 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.371 -4.454 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.229 -4.616 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.449 -6.433 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.300 -6.592 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.412 -7.508 0.860 1.00 0.00 H new ATOM 822 N GLY A 58 14.817 -0.029 -0.728 1.00 0.00 N ATOM 823 CA GLY A 58 15.558 1.084 -1.292 1.00 0.00 C ATOM 824 C GLY A 58 15.704 2.236 -0.318 1.00 0.00 C ATOM 825 O GLY A 58 16.099 2.041 0.832 1.00 0.00 O ATOM 0 H GLY A 58 14.982 -0.194 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.547 0.741 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.052 1.435 -2.192 1.00 0.00 H new ATOM 829 N CYS A 59 15.385 3.441 -0.778 1.00 0.00 N ATOM 830 CA CYS A 59 15.484 4.631 0.060 1.00 0.00 C ATOM 831 C CYS A 59 14.418 4.619 1.151 1.00 0.00 C ATOM 832 O CYS A 59 13.304 4.140 0.940 1.00 0.00 O ATOM 833 CB CYS A 59 15.343 5.893 -0.793 1.00 0.00 C ATOM 834 SG CYS A 59 13.619 6.390 -1.106 1.00 0.00 S ATOM 0 H CYS A 59 15.056 3.620 -1.727 1.00 0.00 H new ATOM 0 HA CYS A 59 16.465 4.629 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.862 6.713 -0.297 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.842 5.731 -1.748 1.00 0.00 H new ATOM 0 HG CYS A 59 13.125 5.663 -2.064 1.00 0.00 H new ATOM 839 N GLY A 60 14.767 5.149 2.319 1.00 0.00 N ATOM 840 CA GLY A 60 13.830 5.190 3.426 1.00 0.00 C ATOM 841 C GLY A 60 12.531 5.881 3.060 1.00 0.00 C ATOM 842 O GLY A 60 11.449 5.330 3.262 1.00 0.00 O ATOM 0 H GLY A 60 15.683 5.551 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.617 4.173 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.289 5.708 4.268 1.00 0.00 H new ATOM 846 N SER A 61 12.638 7.092 2.523 1.00 0.00 N ATOM 847 CA SER A 61 11.462 7.862 2.133 1.00 0.00 C ATOM 848 C SER A 61 10.368 6.946 1.593 1.00 0.00 C ATOM 849 O SER A 61 9.179 7.228 1.740 1.00 0.00 O ATOM 850 CB SER A 61 11.836 8.906 1.080 1.00 0.00 C ATOM 851 OG SER A 61 12.920 9.707 1.517 1.00 0.00 O ATOM 0 H SER A 61 13.527 7.561 2.348 1.00 0.00 H new ATOM 0 HA SER A 61 11.081 8.371 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.101 8.408 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.974 9.539 0.869 1.00 0.00 H new ATOM 0 HG SER A 61 12.580 10.562 1.853 1.00 0.00 H new ATOM 857 N ALA A 62 10.779 5.849 0.966 1.00 0.00 N ATOM 858 CA ALA A 62 9.835 4.891 0.405 1.00 0.00 C ATOM 859 C ALA A 62 9.297 3.955 1.482 1.00 0.00 C ATOM 860 O ALA A 62 8.095 3.697 1.549 1.00 0.00 O ATOM 861 CB ALA A 62 10.494 4.092 -0.710 1.00 0.00 C ATOM 0 H ALA A 62 11.760 5.602 0.834 1.00 0.00 H new ATOM 0 HA ALA A 62 8.994 5.447 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.778 3.380 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.823 4.770 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.354 3.553 -0.312 1.00 0.00 H new ATOM 867 N ILE A 63 10.194 3.449 2.322 1.00 0.00 N ATOM 868 CA ILE A 63 9.808 2.542 3.396 1.00 0.00 C ATOM 869 C ILE A 63 8.782 3.190 4.320 1.00 0.00 C ATOM 870 O ILE A 63 7.825 2.546 4.749 1.00 0.00 O ATOM 871 CB ILE A 63 11.028 2.104 4.228 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.077 1.449 3.328 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.599 1.150 5.333 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.429 1.296 3.990 1.00 0.00 C ATOM 0 H ILE A 63 11.193 3.652 2.279 1.00 0.00 H new ATOM 0 HA ILE A 63 9.366 1.664 2.925 1.00 0.00 H new ATOM 0 HB ILE A 63 11.472 2.986 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.718 0.467 3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.190 2.045 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.472 0.849 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.883 1.649 5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.134 0.268 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.123 0.825 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.809 2.278 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.330 0.675 4.880 1.00 0.00 H new ATOM 886 N ALA A 64 8.988 4.468 4.620 1.00 0.00 N ATOM 887 CA ALA A 64 8.079 5.204 5.490 1.00 0.00 C ATOM 888 C ALA A 64 6.701 5.342 4.853 1.00 0.00 C ATOM 889 O ALA A 64 5.732 4.733 5.308 1.00 0.00 O ATOM 890 CB ALA A 64 8.653 6.576 5.813 1.00 0.00 C ATOM 0 H ALA A 64 9.776 5.015 4.274 1.00 0.00 H new ATOM 0 HA ALA A 64 7.967 4.641 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.964 7.115 6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.612 6.460 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.795 7.138 4.890 1.00 0.00 H new ATOM 896 N SER A 65 6.619 6.147 3.798 1.00 0.00 N ATOM 897 CA SER A 65 5.358 6.368 3.101 1.00 0.00 C ATOM 898 C SER A 65 4.541 5.081 3.034 1.00 0.00 C ATOM 899 O SER A 65 3.348 5.074 3.339 1.00 0.00 O ATOM 900 CB SER A 65 5.617 6.895 1.689 1.00 0.00 C ATOM 901 OG SER A 65 5.830 8.296 1.698 1.00 0.00 O ATOM 0 H SER A 65 7.411 6.657 3.408 1.00 0.00 H new ATOM 0 HA SER A 65 4.788 7.111 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.487 6.395 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.768 6.657 1.047 1.00 0.00 H new ATOM 0 HG SER A 65 5.995 8.608 0.784 1.00 0.00 H new ATOM 907 N SER A 66 5.192 3.994 2.634 1.00 0.00 N ATOM 908 CA SER A 66 4.527 2.702 2.523 1.00 0.00 C ATOM 909 C SER A 66 4.021 2.233 3.883 1.00 0.00 C ATOM 910 O SER A 66 2.829 1.980 4.061 1.00 0.00 O ATOM 911 CB SER A 66 5.482 1.661 1.935 1.00 0.00 C ATOM 912 OG SER A 66 6.597 1.455 2.785 1.00 0.00 O ATOM 0 H SER A 66 6.180 3.983 2.381 1.00 0.00 H new ATOM 0 HA SER A 66 3.672 2.818 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.953 0.719 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.824 1.990 0.954 1.00 0.00 H new ATOM 0 HG SER A 66 6.869 2.309 3.181 1.00 0.00 H new ATOM 918 N SER A 67 4.936 2.118 4.841 1.00 0.00 N ATOM 919 CA SER A 67 4.584 1.676 6.185 1.00 0.00 C ATOM 920 C SER A 67 3.373 2.440 6.709 1.00 0.00 C ATOM 921 O SER A 67 2.468 1.858 7.309 1.00 0.00 O ATOM 922 CB SER A 67 5.770 1.864 7.133 1.00 0.00 C ATOM 923 OG SER A 67 5.877 3.213 7.554 1.00 0.00 O ATOM 0 H SER A 67 5.926 2.325 4.711 1.00 0.00 H new ATOM 0 HA SER A 67 4.330 0.617 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.651 1.217 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.690 1.561 6.634 1.00 0.00 H new ATOM 0 HG SER A 67 5.879 3.801 6.770 1.00 0.00 H new ATOM 929 N LEU A 68 3.363 3.749 6.479 1.00 0.00 N ATOM 930 CA LEU A 68 2.263 4.596 6.928 1.00 0.00 C ATOM 931 C LEU A 68 1.004 4.334 6.107 1.00 0.00 C ATOM 932 O LEU A 68 -0.103 4.296 6.644 1.00 0.00 O ATOM 933 CB LEU A 68 2.654 6.071 6.826 1.00 0.00 C ATOM 934 CG LEU A 68 1.518 7.080 6.994 1.00 0.00 C ATOM 935 CD1 LEU A 68 2.031 8.359 7.638 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.869 7.381 5.650 1.00 0.00 C ATOM 0 H LEU A 68 4.104 4.246 5.985 1.00 0.00 H new ATOM 0 HA LEU A 68 2.053 4.354 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.412 6.278 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.119 6.236 5.854 1.00 0.00 H new ATOM 0 HG LEU A 68 0.764 6.644 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.208 9.065 7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.449 8.130 8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.804 8.799 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.062 8.101 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.614 7.797 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.465 6.461 5.227 1.00 0.00 H new ATOM 948 N ALA A 69 1.182 4.152 4.802 1.00 0.00 N ATOM 949 CA ALA A 69 0.062 3.889 3.908 1.00 0.00 C ATOM 950 C ALA A 69 -0.626 2.575 4.261 1.00 0.00 C ATOM 951 O ALA A 69 -1.826 2.544 4.537 1.00 0.00 O ATOM 952 CB ALA A 69 0.535 3.868 2.462 1.00 0.00 C ATOM 0 H ALA A 69 2.091 4.182 4.341 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.664 4.693 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.312 3.670 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.973 4.833 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.283 3.085 2.335 1.00 0.00 H new ATOM 958 N THR A 70 0.141 1.489 4.249 1.00 0.00 N ATOM 959 CA THR A 70 -0.395 0.171 4.566 1.00 0.00 C ATOM 960 C THR A 70 -1.114 0.179 5.910 1.00 0.00 C ATOM 961 O THR A 70 -1.963 -0.672 6.175 1.00 0.00 O ATOM 962 CB THR A 70 0.716 -0.895 4.597 1.00 0.00 C ATOM 963 OG1 THR A 70 0.150 -2.198 4.414 1.00 0.00 O ATOM 964 CG2 THR A 70 1.476 -0.847 5.913 1.00 0.00 C ATOM 0 H THR A 70 1.136 1.496 4.023 1.00 0.00 H new ATOM 0 HA THR A 70 -1.106 -0.079 3.778 1.00 0.00 H new ATOM 0 HB THR A 70 1.413 -0.685 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.476 -2.581 3.573 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.255 -1.609 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.930 0.136 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.788 -1.034 6.738 1.00 0.00 H new ATOM 972 N GLU A 71 -0.768 1.145 6.756 1.00 0.00 N ATOM 973 CA GLU A 71 -1.382 1.261 8.073 1.00 0.00 C ATOM 974 C GLU A 71 -2.680 2.060 8.000 1.00 0.00 C ATOM 975 O GLU A 71 -3.534 1.958 8.881 1.00 0.00 O ATOM 976 CB GLU A 71 -0.414 1.929 9.053 1.00 0.00 C ATOM 977 CG GLU A 71 -1.076 2.395 10.339 1.00 0.00 C ATOM 978 CD GLU A 71 -0.117 2.418 11.513 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.711 3.351 11.586 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.194 1.503 12.360 1.00 0.00 O ATOM 0 H GLU A 71 -0.067 1.857 6.553 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.613 0.257 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.383 1.228 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.053 2.784 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.487 3.394 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.913 1.737 10.571 1.00 0.00 H new ATOM 987 N TRP A 72 -2.821 2.854 6.945 1.00 0.00 N ATOM 988 CA TRP A 72 -4.014 3.670 6.756 1.00 0.00 C ATOM 989 C TRP A 72 -5.157 2.840 6.182 1.00 0.00 C ATOM 990 O TRP A 72 -6.318 3.030 6.544 1.00 0.00 O ATOM 991 CB TRP A 72 -3.709 4.850 5.831 1.00 0.00 C ATOM 992 CG TRP A 72 -3.004 5.978 6.521 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.523 5.985 7.799 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.703 7.265 5.970 1.00 0.00 C ATOM 995 NE1 TRP A 72 -1.941 7.199 8.075 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.038 8.001 6.969 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.930 7.866 4.729 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.599 9.307 6.764 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.494 9.162 4.527 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.834 9.870 5.540 1.00 0.00 C ATOM 0 H TRP A 72 -2.123 2.950 6.207 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.321 4.051 7.730 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.096 4.502 5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.642 5.220 5.406 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.590 5.158 8.491 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.507 7.460 8.960 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.437 7.328 3.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.091 9.855 7.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.665 9.637 3.572 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.504 10.881 5.350 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.821 1.919 5.285 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.819 1.058 4.662 1.00 0.00 C ATOM 1013 C VAL A 73 -6.437 0.107 5.680 1.00 0.00 C ATOM 1014 O VAL A 73 -7.594 -0.293 5.550 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.211 0.236 3.510 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.696 1.154 2.412 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.099 -0.665 4.028 1.00 0.00 C ATOM 0 H VAL A 73 -3.865 1.750 4.973 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.595 1.711 4.262 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.992 -0.395 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.270 0.555 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.519 1.753 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.929 1.813 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.681 -1.239 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.317 -0.055 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.503 -1.348 4.776 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.658 -0.253 6.694 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.128 -1.157 7.738 1.00 0.00 C ATOM 1029 C LYS A 74 -7.425 -0.646 8.356 1.00 0.00 C ATOM 1030 O LYS A 74 -7.538 0.529 8.704 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.061 -1.314 8.823 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.855 -2.123 8.378 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.823 -2.243 9.487 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.433 -2.506 8.928 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.366 -2.018 9.846 1.00 0.00 N ATOM 0 H LYS A 74 -4.697 0.068 6.816 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.321 -2.129 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.728 -0.325 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.508 -1.793 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.177 -3.118 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.401 -1.651 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.812 -1.326 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.104 -3.052 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.306 -3.575 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.332 -2.016 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.567 -2.215 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.472 -0.993 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.447 -2.504 10.762 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.402 -1.537 8.491 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.678 -1.158 9.069 1.00 0.00 C ATOM 1051 C GLY A 75 -10.612 -0.532 8.052 1.00 0.00 C ATOM 1052 O GLY A 75 -11.829 -0.704 8.127 1.00 0.00 O ATOM 0 H GLY A 75 -8.333 -2.515 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.154 -2.039 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.509 -0.455 9.884 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.043 0.197 7.098 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.832 0.851 6.061 1.00 0.00 C ATOM 1058 C LYS A 76 -11.215 -0.137 4.964 1.00 0.00 C ATOM 1059 O LYS A 76 -10.726 -1.266 4.933 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.051 2.021 5.459 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.569 3.027 6.490 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.761 4.142 5.848 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.129 5.046 6.894 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.129 5.957 7.517 1.00 0.00 N ATOM 0 H LYS A 76 -9.037 0.350 7.022 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.746 1.230 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.191 1.631 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.682 2.532 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.426 3.452 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.960 2.519 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.982 3.712 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.406 4.732 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.662 4.436 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.337 5.637 6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.659 6.557 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.556 6.557 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.871 5.394 7.979 1.00 0.00 H new ATOM 1078 N THR A 77 -12.092 0.296 4.064 1.00 0.00 N ATOM 1079 CA THR A 77 -12.540 -0.550 2.965 1.00 0.00 C ATOM 1080 C THR A 77 -11.853 -0.166 1.660 1.00 0.00 C ATOM 1081 O THR A 77 -11.349 0.949 1.516 1.00 0.00 O ATOM 1082 CB THR A 77 -14.066 -0.462 2.774 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.443 0.881 2.452 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.795 -0.911 4.032 1.00 0.00 C ATOM 0 H THR A 77 -12.506 1.228 4.075 1.00 0.00 H new ATOM 0 HA THR A 77 -12.272 -1.574 3.225 1.00 0.00 H new ATOM 0 HB THR A 77 -14.346 -1.124 1.954 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.414 0.928 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.871 -0.840 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.528 -1.943 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.508 -0.271 4.867 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.837 -1.094 0.709 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.214 -0.851 -0.587 1.00 0.00 C ATOM 1094 C VAL A 78 -11.613 0.511 -1.142 1.00 0.00 C ATOM 1095 O VAL A 78 -10.779 1.244 -1.673 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.595 -1.941 -1.606 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.140 -3.309 -1.122 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.095 -1.929 -1.863 1.00 0.00 C ATOM 0 H VAL A 78 -12.249 -2.022 0.811 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.136 -0.873 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.086 -1.728 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.418 -4.066 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.057 -3.308 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.618 -3.535 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.347 -2.705 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.626 -2.116 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.389 -0.957 -2.258 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.894 0.844 -1.014 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.403 2.120 -1.504 1.00 0.00 C ATOM 1110 C GLU A 79 -12.684 3.287 -0.834 1.00 0.00 C ATOM 1111 O GLU A 79 -12.291 4.248 -1.494 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.909 2.223 -1.253 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.718 1.146 -1.956 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.086 0.944 -1.333 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -18.034 1.647 -1.741 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.208 0.082 -0.437 1.00 0.00 O ATOM 0 H GLU A 79 -13.597 0.249 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.216 2.169 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.095 2.164 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.258 3.201 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.837 1.413 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.167 0.206 -1.927 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.516 3.194 0.481 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.845 4.242 1.241 1.00 0.00 C ATOM 1125 C GLU A 80 -10.417 4.445 0.744 1.00 0.00 C ATOM 1126 O GLU A 80 -10.014 5.561 0.417 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.834 3.896 2.731 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.221 3.701 3.321 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.002 4.998 3.415 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.593 5.882 4.196 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.023 5.127 2.708 1.00 0.00 O ATOM 0 H GLU A 80 -12.835 2.404 1.042 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.397 5.170 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.254 2.985 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.325 4.691 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.776 2.991 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.131 3.263 4.315 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.655 3.357 0.691 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.272 3.414 0.234 1.00 0.00 C ATOM 1140 C ALA A 81 -8.164 4.152 -1.096 1.00 0.00 C ATOM 1141 O ALA A 81 -7.256 4.959 -1.299 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.699 2.010 0.109 1.00 0.00 C ATOM 0 H ALA A 81 -9.972 2.425 0.959 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.693 3.966 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.666 2.068 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.733 1.516 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.288 1.439 -0.609 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.096 3.870 -2.001 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.105 4.507 -3.313 1.00 0.00 C ATOM 1150 C LEU A 82 -9.097 6.027 -3.181 1.00 0.00 C ATOM 1151 O LEU A 82 -8.587 6.734 -4.050 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.331 4.059 -4.111 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.139 2.832 -5.004 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.083 3.103 -6.063 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.760 1.618 -4.168 1.00 0.00 C ATOM 0 H LEU A 82 -9.854 3.205 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.203 4.202 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.139 3.851 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.657 4.891 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.083 2.621 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.960 2.219 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.395 3.945 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.135 3.340 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.627 0.754 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.829 1.818 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.551 1.411 -3.448 1.00 0.00 H new ATOM 1167 N THR A 83 -9.666 6.524 -2.087 1.00 0.00 N ATOM 1168 CA THR A 83 -9.724 7.959 -1.840 1.00 0.00 C ATOM 1169 C THR A 83 -8.379 8.488 -1.356 1.00 0.00 C ATOM 1170 O THR A 83 -8.016 9.632 -1.631 1.00 0.00 O ATOM 1171 CB THR A 83 -10.805 8.306 -0.800 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.338 7.990 0.517 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.093 7.547 -1.082 1.00 0.00 C ATOM 0 H THR A 83 -10.093 5.953 -1.358 1.00 0.00 H new ATOM 0 HA THR A 83 -9.977 8.434 -2.788 1.00 0.00 H new ATOM 0 HB THR A 83 -11.010 9.374 -0.866 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.619 7.082 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.841 7.809 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.462 7.812 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.900 6.475 -1.042 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.644 7.650 -0.634 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.338 8.034 -0.113 1.00 0.00 C ATOM 1183 C ILE A 84 -5.493 8.707 -1.189 1.00 0.00 C ATOM 1184 O ILE A 84 -5.075 8.069 -2.155 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.572 6.817 0.440 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.284 6.255 1.672 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.140 7.202 0.778 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.623 5.019 2.241 1.00 0.00 C ATOM 0 H ILE A 84 -7.930 6.700 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.517 8.739 0.699 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.548 6.042 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.321 7.025 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.315 6.017 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.612 6.332 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.638 7.559 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.143 7.991 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.181 4.676 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.610 4.233 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.601 5.256 2.536 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.243 10.000 -1.014 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.444 10.761 -1.968 1.00 0.00 C ATOM 1202 C LYS A 85 -2.991 10.850 -1.513 1.00 0.00 C ATOM 1203 O LYS A 85 -2.713 11.038 -0.329 1.00 0.00 O ATOM 1204 CB LYS A 85 -5.023 12.167 -2.142 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.207 12.915 -0.833 1.00 0.00 C ATOM 1206 CD LYS A 85 -5.873 14.263 -1.049 1.00 0.00 C ATOM 1207 CE LYS A 85 -5.922 15.074 0.237 1.00 0.00 C ATOM 1208 NZ LYS A 85 -7.107 15.975 0.279 1.00 0.00 N ATOM 0 H LYS A 85 -5.582 10.543 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.474 10.241 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.365 12.744 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.986 12.094 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.811 12.315 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.237 13.060 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.329 14.821 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.885 14.114 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.949 14.398 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.012 15.667 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.105 16.510 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.069 16.637 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.977 15.408 0.218 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.069 10.715 -2.461 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.645 10.782 -2.156 1.00 0.00 C ATOM 1224 C ASN A 86 -0.306 12.075 -1.420 1.00 0.00 C ATOM 1225 O ASN A 86 0.557 12.095 -0.542 1.00 0.00 O ATOM 1226 CB ASN A 86 0.178 10.683 -3.442 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.134 11.803 -4.416 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.281 11.981 -4.827 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.888 12.565 -4.789 1.00 0.00 N ATOM 0 H ASN A 86 -2.283 10.559 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.398 9.941 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.239 10.706 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.016 9.724 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.739 13.335 -5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.822 12.381 -4.423 1.00 0.00 H new ATOM 1236 N THR A 87 -0.991 13.154 -1.784 1.00 0.00 N ATOM 1237 CA THR A 87 -0.763 14.451 -1.160 1.00 0.00 C ATOM 1238 C THR A 87 -0.858 14.354 0.359 1.00 0.00 C ATOM 1239 O THR A 87 -0.050 14.942 1.079 1.00 0.00 O ATOM 1240 CB THR A 87 -1.774 15.500 -1.659 1.00 0.00 C ATOM 1241 OG1 THR A 87 -3.057 15.266 -1.068 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.893 15.457 -3.175 1.00 0.00 C ATOM 0 H THR A 87 -1.709 13.155 -2.509 1.00 0.00 H new ATOM 0 HA THR A 87 0.243 14.764 -1.440 1.00 0.00 H new ATOM 0 HB THR A 87 -1.415 16.486 -1.365 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.639 16.037 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.613 16.206 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.921 15.665 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.231 14.468 -3.486 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.847 13.610 0.839 1.00 0.00 N ATOM 1251 CA ASP A 88 -2.046 13.434 2.273 1.00 0.00 C ATOM 1252 C ASP A 88 -0.806 12.828 2.924 1.00 0.00 C ATOM 1253 O ASP A 88 -0.386 13.255 4.000 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.262 12.545 2.536 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.553 13.337 2.610 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.483 14.572 2.784 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.633 12.721 2.494 1.00 0.00 O ATOM 0 H ASP A 88 -2.524 13.118 0.256 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.222 14.416 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.341 11.799 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.117 12.004 3.471 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.227 11.831 2.264 1.00 0.00 N ATOM 1263 CA ILE A 89 0.964 11.166 2.778 1.00 0.00 C ATOM 1264 C ILE A 89 2.175 12.092 2.729 1.00 0.00 C ATOM 1265 O ILE A 89 2.765 12.414 3.760 1.00 0.00 O ATOM 1266 CB ILE A 89 1.280 9.884 1.985 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.089 8.925 2.029 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.528 9.213 2.539 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.164 7.821 0.998 1.00 0.00 C ATOM 0 H ILE A 89 -0.563 11.466 1.373 1.00 0.00 H new ATOM 0 HA ILE A 89 0.754 10.900 3.814 1.00 0.00 H new ATOM 0 HB ILE A 89 1.467 10.154 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.028 8.480 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.829 9.492 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.739 8.308 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.374 9.896 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.367 8.953 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.713 7.180 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.194 8.257 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.065 7.230 1.163 1.00 0.00 H new ATOM 1281 N ALA A 90 2.539 12.518 1.524 1.00 0.00 N ATOM 1282 CA ALA A 90 3.676 13.411 1.341 1.00 0.00 C ATOM 1283 C ALA A 90 3.754 14.439 2.464 1.00 0.00 C ATOM 1284 O ALA A 90 4.823 14.685 3.022 1.00 0.00 O ATOM 1285 CB ALA A 90 3.589 14.106 -0.010 1.00 0.00 C ATOM 0 H ALA A 90 2.063 12.259 0.660 1.00 0.00 H new ATOM 0 HA ALA A 90 4.586 12.811 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.445 14.770 -0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.592 13.359 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.668 14.687 -0.062 1.00 0.00 H new ATOM 1291 N LYS A 91 2.614 15.039 2.790 1.00 0.00 N ATOM 1292 CA LYS A 91 2.551 16.042 3.847 1.00 0.00 C ATOM 1293 C LYS A 91 2.831 15.415 5.209 1.00 0.00 C ATOM 1294 O LYS A 91 3.764 15.813 5.905 1.00 0.00 O ATOM 1295 CB LYS A 91 1.178 16.717 3.857 1.00 0.00 C ATOM 1296 CG LYS A 91 1.059 17.837 4.875 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.379 18.305 5.025 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.656 18.818 6.429 1.00 0.00 C ATOM 1299 NZ LYS A 91 -2.001 19.448 6.535 1.00 0.00 N ATOM 0 H LYS A 91 1.720 14.848 2.337 1.00 0.00 H new ATOM 0 HA LYS A 91 3.316 16.792 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.971 17.116 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.415 15.967 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.433 17.494 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.685 18.675 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.583 19.094 4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.056 17.482 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.585 17.993 7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.108 19.544 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.151 19.785 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.061 20.251 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.732 18.748 6.294 1.00 0.00 H new ATOM 1313 N GLU A 92 2.018 14.431 5.581 1.00 0.00 N ATOM 1314 CA GLU A 92 2.179 13.749 6.859 1.00 0.00 C ATOM 1315 C GLU A 92 3.653 13.476 7.148 1.00 0.00 C ATOM 1316 O GLU A 92 4.176 13.867 8.192 1.00 0.00 O ATOM 1317 CB GLU A 92 1.395 12.435 6.865 1.00 0.00 C ATOM 1318 CG GLU A 92 1.034 11.948 8.258 1.00 0.00 C ATOM 1319 CD GLU A 92 0.613 13.076 9.180 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.589 13.413 9.192 1.00 0.00 O ATOM 1321 OE2 GLU A 92 1.485 13.621 9.888 1.00 0.00 O ATOM 0 H GLU A 92 1.241 14.089 5.015 1.00 0.00 H new ATOM 0 HA GLU A 92 1.787 14.400 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.480 12.565 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.984 11.668 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.225 11.221 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.890 11.430 8.691 1.00 0.00 H new ATOM 1328 N LEU A 93 4.317 12.802 6.216 1.00 0.00 N ATOM 1329 CA LEU A 93 5.730 12.476 6.368 1.00 0.00 C ATOM 1330 C LEU A 93 6.599 13.715 6.183 1.00 0.00 C ATOM 1331 O LEU A 93 7.748 13.753 6.626 1.00 0.00 O ATOM 1332 CB LEU A 93 6.137 11.398 5.361 1.00 0.00 C ATOM 1333 CG LEU A 93 5.771 9.961 5.731 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.300 9.864 6.105 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.095 9.016 4.583 1.00 0.00 C ATOM 0 H LEU A 93 3.899 12.470 5.347 1.00 0.00 H new ATOM 0 HA LEU A 93 5.882 12.097 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.677 11.633 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.216 11.451 5.218 1.00 0.00 H new ATOM 0 HG LEU A 93 6.365 9.666 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.058 8.834 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.098 10.511 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.688 10.178 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.828 7.997 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.528 9.309 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.161 9.064 4.362 1.00 0.00 H new ATOM 1347 N CYS A 94 6.043 14.728 5.528 1.00 0.00 N ATOM 1348 CA CYS A 94 6.766 15.971 5.285 1.00 0.00 C ATOM 1349 C CYS A 94 8.072 15.704 4.544 1.00 0.00 C ATOM 1350 O CYS A 94 9.128 16.216 4.919 1.00 0.00 O ATOM 1351 CB CYS A 94 7.053 16.686 6.606 1.00 0.00 C ATOM 1352 SG CYS A 94 7.218 18.480 6.455 1.00 0.00 S ATOM 0 H CYS A 94 5.094 14.713 5.156 1.00 0.00 H new ATOM 0 HA CYS A 94 6.140 16.611 4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.250 16.464 7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.971 16.282 7.033 1.00 0.00 H new ATOM 0 HG CYS A 94 7.457 18.994 7.625 1.00 0.00 H new ATOM 1358 N LEU A 95 7.994 14.899 3.490 1.00 0.00 N ATOM 1359 CA LEU A 95 9.171 14.562 2.696 1.00 0.00 C ATOM 1360 C LEU A 95 9.507 15.683 1.718 1.00 0.00 C ATOM 1361 O LEU A 95 8.644 16.454 1.299 1.00 0.00 O ATOM 1362 CB LEU A 95 8.938 13.257 1.933 1.00 0.00 C ATOM 1363 CG LEU A 95 7.759 13.249 0.959 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.214 13.656 -0.434 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.102 11.877 0.929 1.00 0.00 C ATOM 0 H LEU A 95 7.129 14.468 3.165 1.00 0.00 H new ATOM 0 HA LEU A 95 10.013 14.433 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.844 13.018 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.789 12.457 2.658 1.00 0.00 H new ATOM 0 HG LEU A 95 7.022 13.975 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.361 13.644 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.637 14.660 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.970 12.956 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.265 11.890 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.830 11.132 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.739 11.625 1.926 1.00 0.00 H new ATOM 1377 N PRO A 96 10.792 15.776 1.344 1.00 0.00 N ATOM 1378 CA PRO A 96 11.272 16.798 0.408 1.00 0.00 C ATOM 1379 C PRO A 96 10.772 16.563 -1.013 1.00 0.00 C ATOM 1380 O PRO A 96 10.201 15.520 -1.332 1.00 0.00 O ATOM 1381 CB PRO A 96 12.794 16.650 0.472 1.00 0.00 C ATOM 1382 CG PRO A 96 13.020 15.239 0.894 1.00 0.00 C ATOM 1383 CD PRO A 96 11.875 14.891 1.804 1.00 0.00 C ATOM 0 HA PRO A 96 10.916 17.794 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.252 16.852 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.230 17.351 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.049 14.573 0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.974 15.134 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.599 13.840 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.124 15.071 2.850 1.00 0.00 H new ATOM 1391 N PRO A 97 10.992 17.554 -1.890 1.00 0.00 N ATOM 1392 CA PRO A 97 10.573 17.478 -3.292 1.00 0.00 C ATOM 1393 C PRO A 97 11.388 16.462 -4.087 1.00 0.00 C ATOM 1394 O PRO A 97 10.985 16.040 -5.171 1.00 0.00 O ATOM 1395 CB PRO A 97 10.826 18.894 -3.816 1.00 0.00 C ATOM 1396 CG PRO A 97 11.896 19.438 -2.933 1.00 0.00 C ATOM 1397 CD PRO A 97 11.668 18.825 -1.579 1.00 0.00 C ATOM 0 HA PRO A 97 9.538 17.151 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.142 18.880 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.923 19.502 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.884 19.183 -3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.845 20.526 -2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.606 18.662 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.051 19.464 -0.947 1.00 0.00 H new ATOM 1405 N VAL A 98 12.535 16.073 -3.540 1.00 0.00 N ATOM 1406 CA VAL A 98 13.406 15.106 -4.197 1.00 0.00 C ATOM 1407 C VAL A 98 12.941 13.679 -3.930 1.00 0.00 C ATOM 1408 O VAL A 98 13.153 12.782 -4.747 1.00 0.00 O ATOM 1409 CB VAL A 98 14.865 15.255 -3.728 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.970 15.027 -2.227 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.769 14.294 -4.486 1.00 0.00 C ATOM 0 H VAL A 98 12.883 16.413 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 98 13.354 15.308 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 98 15.194 16.272 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.008 15.136 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.354 15.759 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.623 14.022 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.796 14.413 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.443 13.270 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.717 14.510 -5.553 1.00 0.00 H new ATOM 1421 N LYS A 99 12.306 13.474 -2.781 1.00 0.00 N ATOM 1422 CA LYS A 99 11.808 12.156 -2.406 1.00 0.00 C ATOM 1423 C LYS A 99 10.316 12.034 -2.697 1.00 0.00 C ATOM 1424 O LYS A 99 9.616 11.232 -2.078 1.00 0.00 O ATOM 1425 CB LYS A 99 12.073 11.892 -0.922 1.00 0.00 C ATOM 1426 CG LYS A 99 13.542 11.963 -0.543 1.00 0.00 C ATOM 1427 CD LYS A 99 14.339 10.843 -1.191 1.00 0.00 C ATOM 1428 CE LYS A 99 14.980 11.296 -2.493 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.222 10.532 -2.795 1.00 0.00 N ATOM 0 H LYS A 99 12.124 14.205 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 99 12.337 11.412 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.518 12.618 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.687 10.906 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.951 12.926 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.643 11.903 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.112 10.501 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.684 9.993 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.269 11.172 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.213 12.359 -2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.629 10.871 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.910 10.671 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.996 9.520 -2.878 1.00 0.00 H new ATOM 1443 N LEU A 100 9.836 12.834 -3.643 1.00 0.00 N ATOM 1444 CA LEU A 100 8.426 12.814 -4.017 1.00 0.00 C ATOM 1445 C LEU A 100 8.035 11.459 -4.599 1.00 0.00 C ATOM 1446 O LEU A 100 6.985 10.909 -4.266 1.00 0.00 O ATOM 1447 CB LEU A 100 8.132 13.921 -5.032 1.00 0.00 C ATOM 1448 CG LEU A 100 7.777 15.289 -4.448 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.804 16.355 -5.533 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.412 15.244 -3.776 1.00 0.00 C ATOM 0 H LEU A 100 10.402 13.504 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 100 7.835 12.986 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.004 14.038 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.309 13.595 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 100 8.522 15.546 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.549 17.322 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.802 16.405 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.081 16.103 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.176 16.226 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.655 14.965 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.427 14.509 -2.971 1.00 0.00 H new ATOM 1462 N HIS A 101 8.888 10.926 -5.468 1.00 0.00 N ATOM 1463 CA HIS A 101 8.634 9.633 -6.093 1.00 0.00 C ATOM 1464 C HIS A 101 8.057 8.645 -5.084 1.00 0.00 C ATOM 1465 O HIS A 101 7.296 7.746 -5.446 1.00 0.00 O ATOM 1466 CB HIS A 101 9.922 9.071 -6.695 1.00 0.00 C ATOM 1467 CG HIS A 101 10.955 8.713 -5.671 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.555 9.644 -4.849 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.492 7.516 -5.337 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.417 9.035 -4.055 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.399 7.744 -4.331 1.00 0.00 N ATOM 0 H HIS A 101 9.761 11.369 -5.755 1.00 0.00 H new ATOM 0 HA HIS A 101 7.904 9.780 -6.889 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.682 8.185 -7.283 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.343 9.805 -7.382 1.00 0.00 H new ATOM 0 HD2 HIS A 101 11.252 6.560 -5.779 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.032 9.512 -3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.966 7.032 -3.872 1.00 0.00 H new ATOM 1479 N CYS A 102 8.424 8.817 -3.819 1.00 0.00 N ATOM 1480 CA CYS A 102 7.944 7.939 -2.757 1.00 0.00 C ATOM 1481 C CYS A 102 6.452 8.146 -2.514 1.00 0.00 C ATOM 1482 O CYS A 102 5.669 7.197 -2.558 1.00 0.00 O ATOM 1483 CB CYS A 102 8.723 8.193 -1.466 1.00 0.00 C ATOM 1484 SG CYS A 102 10.326 7.360 -1.396 1.00 0.00 S ATOM 0 H CYS A 102 9.052 9.556 -3.503 1.00 0.00 H new ATOM 0 HA CYS A 102 8.103 6.908 -3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.878 9.266 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.119 7.867 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 102 10.900 7.426 -2.560 1.00 0.00 H new ATOM 1490 N SER A 103 6.067 9.391 -2.256 1.00 0.00 N ATOM 1491 CA SER A 103 4.670 9.721 -2.000 1.00 0.00 C ATOM 1492 C SER A 103 3.752 9.003 -2.985 1.00 0.00 C ATOM 1493 O SER A 103 2.928 8.178 -2.593 1.00 0.00 O ATOM 1494 CB SER A 103 4.455 11.233 -2.095 1.00 0.00 C ATOM 1495 OG SER A 103 3.074 11.551 -2.125 1.00 0.00 O ATOM 0 H SER A 103 6.702 10.188 -2.219 1.00 0.00 H new ATOM 0 HA SER A 103 4.423 9.388 -0.992 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.926 11.725 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.939 11.617 -2.993 1.00 0.00 H new ATOM 0 HG SER A 103 2.939 12.375 -2.638 1.00 0.00 H new ATOM 1501 N MET A 104 3.903 9.323 -4.266 1.00 0.00 N ATOM 1502 CA MET A 104 3.090 8.708 -5.308 1.00 0.00 C ATOM 1503 C MET A 104 3.160 7.187 -5.226 1.00 0.00 C ATOM 1504 O MET A 104 2.135 6.505 -5.263 1.00 0.00 O ATOM 1505 CB MET A 104 3.552 9.178 -6.689 1.00 0.00 C ATOM 1506 CG MET A 104 5.000 8.832 -6.996 1.00 0.00 C ATOM 1507 SD MET A 104 5.668 9.793 -8.367 1.00 0.00 S ATOM 1508 CE MET A 104 5.814 11.409 -7.609 1.00 0.00 C ATOM 0 H MET A 104 4.581 10.005 -4.607 1.00 0.00 H new ATOM 0 HA MET A 104 2.055 9.015 -5.155 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.911 8.731 -7.449 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.423 10.258 -6.758 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.607 9.004 -6.107 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.074 7.770 -7.232 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.189 12.121 -8.148 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.489 11.354 -6.570 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.853 11.736 -7.647 1.00 0.00 H new ATOM 1518 N LEU A 105 4.375 6.660 -5.114 1.00 0.00 N ATOM 1519 CA LEU A 105 4.579 5.219 -5.027 1.00 0.00 C ATOM 1520 C LEU A 105 3.597 4.588 -4.044 1.00 0.00 C ATOM 1521 O LEU A 105 2.933 3.602 -4.362 1.00 0.00 O ATOM 1522 CB LEU A 105 6.015 4.912 -4.598 1.00 0.00 C ATOM 1523 CG LEU A 105 6.544 3.526 -4.967 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.875 3.458 -6.450 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.767 3.181 -4.129 1.00 0.00 C ATOM 0 H LEU A 105 5.233 7.210 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 105 4.402 4.792 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.673 5.660 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.083 5.029 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 105 5.765 2.793 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.250 2.464 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.976 3.660 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.636 4.201 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.130 2.191 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.550 3.918 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.498 3.187 -3.073 1.00 0.00 H new ATOM 1537 N ALA A 106 3.510 5.166 -2.851 1.00 0.00 N ATOM 1538 CA ALA A 106 2.606 4.664 -1.823 1.00 0.00 C ATOM 1539 C ALA A 106 1.174 4.587 -2.342 1.00 0.00 C ATOM 1540 O ALA A 106 0.495 3.576 -2.167 1.00 0.00 O ATOM 1541 CB ALA A 106 2.674 5.544 -0.584 1.00 0.00 C ATOM 0 H ALA A 106 4.054 5.982 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 106 2.923 3.656 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.994 5.157 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.692 5.544 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.385 6.562 -0.845 1.00 0.00 H new ATOM 1547 N GLU A 107 0.722 5.662 -2.979 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.631 5.716 -3.521 1.00 0.00 C ATOM 1549 C GLU A 107 -0.836 4.637 -4.581 1.00 0.00 C ATOM 1550 O GLU A 107 -1.771 3.841 -4.499 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.910 7.095 -4.122 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.342 7.275 -4.596 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.492 8.418 -5.581 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.845 8.369 -6.648 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.254 9.361 -5.284 1.00 0.00 O ATOM 0 H GLU A 107 1.272 6.507 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.329 5.536 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.684 7.859 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.235 7.259 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.685 6.351 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.986 7.456 -3.735 1.00 0.00 H new ATOM 1562 N ASP A 108 0.046 4.617 -5.574 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.037 3.636 -6.651 1.00 0.00 C ATOM 1564 C ASP A 108 -0.170 2.224 -6.090 1.00 0.00 C ATOM 1565 O ASP A 108 -0.986 1.433 -6.561 1.00 0.00 O ATOM 1566 CB ASP A 108 1.198 3.728 -7.549 1.00 0.00 C ATOM 1567 CG ASP A 108 1.071 4.814 -8.599 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.850 5.983 -8.220 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.193 4.494 -9.800 1.00 0.00 O ATOM 0 H ASP A 108 0.827 5.268 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.925 3.857 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.077 3.922 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.358 2.768 -8.041 1.00 0.00 H new ATOM 1574 N ALA A 109 0.639 1.915 -5.081 1.00 0.00 N ATOM 1575 CA ALA A 109 0.611 0.599 -4.456 1.00 0.00 C ATOM 1576 C ALA A 109 -0.779 0.275 -3.919 1.00 0.00 C ATOM 1577 O ALA A 109 -1.325 -0.795 -4.188 1.00 0.00 O ATOM 1578 CB ALA A 109 1.641 0.524 -3.338 1.00 0.00 C ATOM 0 H ALA A 109 1.321 2.558 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 109 0.860 -0.142 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.609 -0.464 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.635 0.703 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.417 1.280 -2.586 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.346 1.206 -3.159 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.673 1.019 -2.585 1.00 0.00 C ATOM 1586 C ILE A 110 -3.681 0.608 -3.653 1.00 0.00 C ATOM 1587 O ILE A 110 -4.241 -0.487 -3.606 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.172 2.300 -1.891 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.214 2.703 -0.768 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.577 2.094 -1.346 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.329 4.158 -0.369 1.00 0.00 C ATOM 0 H ILE A 110 -0.907 2.097 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.587 0.224 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.202 3.105 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.407 2.079 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.191 2.501 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.916 3.008 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.253 1.848 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.571 1.278 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.621 4.373 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.107 4.790 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.342 4.361 -0.022 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.906 1.493 -4.618 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.843 1.223 -5.702 1.00 0.00 C ATOM 1605 C LYS A 111 -4.594 -0.155 -6.306 1.00 0.00 C ATOM 1606 O LYS A 111 -5.480 -1.009 -6.314 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.725 2.296 -6.786 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.565 3.531 -6.514 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.786 4.576 -5.732 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.699 5.665 -5.192 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.978 6.712 -6.213 1.00 0.00 N ATOM 0 H LYS A 111 -3.452 2.405 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.852 1.242 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.680 2.591 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.023 1.868 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.901 3.958 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.458 3.249 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.262 4.097 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.027 5.022 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.638 5.221 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.238 6.124 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.604 7.436 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.085 7.154 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.441 6.278 -7.037 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.382 -0.365 -6.810 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.016 -1.640 -7.413 1.00 0.00 C ATOM 1627 C ALA A 112 -3.595 -2.808 -6.622 1.00 0.00 C ATOM 1628 O ALA A 112 -4.126 -3.757 -7.197 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.503 -1.764 -7.508 1.00 0.00 C ATOM 0 H ALA A 112 -2.637 0.332 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.436 -1.672 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.244 -2.721 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.109 -0.954 -8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.070 -1.706 -6.510 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.489 -2.732 -5.299 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.003 -3.782 -4.429 1.00 0.00 C ATOM 1637 C ALA A 113 -5.497 -3.994 -4.649 1.00 0.00 C ATOM 1638 O ALA A 113 -5.914 -5.000 -5.225 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.725 -3.444 -2.972 1.00 0.00 C ATOM 0 H ALA A 113 -3.051 -1.953 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.490 -4.711 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.115 -4.237 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.650 -3.350 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.211 -2.502 -2.718 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.299 -3.041 -4.186 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.749 -3.123 -4.332 1.00 0.00 C ATOM 1647 C LEU A 114 -8.131 -3.550 -5.745 1.00 0.00 C ATOM 1648 O LEU A 114 -8.841 -4.537 -5.935 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.391 -1.775 -4.003 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.992 -1.149 -2.666 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.655 -2.230 -1.651 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.816 -0.202 -2.851 1.00 0.00 C ATOM 0 H LEU A 114 -5.970 -2.203 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.118 -3.874 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.142 -1.073 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.474 -1.899 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.838 -0.575 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.373 -1.766 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.525 -2.868 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.825 -2.831 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.546 0.234 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.965 -0.753 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.094 0.592 -3.544 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.652 -2.802 -6.734 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.940 -3.105 -8.130 1.00 0.00 C ATOM 1666 C ALA A 115 -7.760 -4.592 -8.417 1.00 0.00 C ATOM 1667 O ALA A 115 -8.730 -5.308 -8.665 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.050 -2.278 -9.045 1.00 0.00 C ATOM 0 H ALA A 115 -7.063 -1.982 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.981 -2.847 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.277 -2.515 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.230 -1.218 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.004 -2.508 -8.840 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.513 -5.050 -8.382 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.206 -6.452 -8.638 1.00 0.00 C ATOM 1676 C ASP A 116 -7.245 -7.363 -7.992 1.00 0.00 C ATOM 1677 O ASP A 116 -7.757 -8.286 -8.625 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.811 -6.795 -8.113 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.362 -8.182 -8.526 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.332 -8.458 -9.744 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.040 -8.993 -7.632 1.00 0.00 O ATOM 0 H ASP A 116 -5.699 -4.470 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.229 -6.612 -9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.096 -6.060 -8.482 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.808 -6.724 -7.025 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.550 -7.098 -6.726 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.525 -7.895 -5.992 1.00 0.00 C ATOM 1688 C TYR A 117 -9.886 -7.862 -6.681 1.00 0.00 C ATOM 1689 O TYR A 117 -10.564 -8.883 -6.794 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.655 -7.385 -4.556 1.00 0.00 C ATOM 1691 CG TYR A 117 -10.012 -7.646 -3.941 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.283 -8.842 -3.289 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.022 -6.695 -4.012 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.521 -9.085 -2.727 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.263 -6.928 -3.451 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.508 -8.124 -2.810 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.742 -8.362 -2.250 1.00 0.00 O ATOM 0 H TYR A 117 -7.136 -6.337 -6.187 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.173 -8.926 -5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.890 -7.858 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.459 -6.313 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.512 -9.595 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.834 -5.758 -4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.716 -10.022 -2.226 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.037 -6.177 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.322 -7.586 -2.395 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.280 -6.679 -7.141 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.558 -6.509 -7.821 1.00 0.00 C ATOM 1709 C LYS A 118 -11.579 -7.275 -9.140 1.00 0.00 C ATOM 1710 O LYS A 118 -12.548 -7.967 -9.453 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.831 -5.025 -8.076 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.165 -4.243 -6.818 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.821 -2.771 -6.968 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.532 -2.126 -5.621 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.766 -1.579 -4.992 1.00 0.00 N ATOM 0 H LYS A 118 -9.732 -5.823 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.340 -6.910 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.956 -4.579 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.657 -4.932 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.227 -4.348 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.618 -4.661 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.952 -2.664 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.647 -2.251 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.081 -2.862 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.805 -1.325 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.505 -0.936 -4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.317 -1.058 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.339 -2.361 -4.615 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.503 -7.147 -9.910 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.397 -7.829 -11.195 1.00 0.00 C ATOM 1731 C LEU A 119 -10.859 -9.278 -11.083 1.00 0.00 C ATOM 1732 O LEU A 119 -11.622 -9.764 -11.918 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.955 -7.779 -11.703 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.260 -6.420 -11.618 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.970 -6.429 -12.424 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.187 -5.315 -12.104 1.00 0.00 C ATOM 0 H LEU A 119 -9.693 -6.578 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.044 -7.315 -11.906 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.367 -8.502 -11.137 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.946 -8.105 -12.743 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.011 -6.225 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.489 -5.453 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.300 -7.194 -12.030 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.195 -6.646 -13.468 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.675 -4.355 -12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.467 -5.505 -13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.083 -5.293 -11.484 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.394 -9.963 -10.044 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.762 -11.356 -9.819 1.00 0.00 C ATOM 1750 C LYS A 120 -12.260 -11.490 -9.567 1.00 0.00 C ATOM 1751 O LYS A 120 -12.904 -12.407 -10.075 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.981 -11.926 -8.633 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.514 -11.533 -8.625 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.657 -12.590 -7.950 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.167 -13.630 -8.946 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.386 -14.710 -8.282 1.00 0.00 N ATOM 0 H LYS A 120 -9.761 -9.576 -9.344 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.511 -11.921 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.444 -11.586 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -10.057 -13.013 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.171 -11.384 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.394 -10.581 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.802 -12.114 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -8.233 -13.080 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -8.021 -14.066 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.548 -13.146 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.070 -15.398 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.557 -14.298 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.984 -15.189 -7.579 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.807 -10.568 -8.780 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.230 -10.584 -8.462 1.00 0.00 C ATOM 1772 C GLN A 121 -15.072 -10.452 -9.727 1.00 0.00 C ATOM 1773 O GLN A 121 -16.144 -11.047 -9.834 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.569 -9.454 -7.489 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.786 -9.516 -6.187 1.00 0.00 C ATOM 1776 CD GLN A 121 -14.066 -10.779 -5.397 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -15.193 -11.013 -4.958 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -13.041 -11.602 -5.212 1.00 0.00 N ATOM 0 H GLN A 121 -12.287 -9.802 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.461 -11.540 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.375 -8.498 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.635 -9.487 -7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.720 -9.458 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.034 -8.648 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.124 -11.369 -5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.170 -12.468 -4.688 1.00 0.00 H new