USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 92 MET CE :methyl 162:sc= 0 (180deg=-0.191) USER MOD Set 1.2: A 96 SER OG : rot -134:sc= -0.376 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -2.33 (180deg=-3.59!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 21:sc= 0.298 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 37 MET CE :methyl -155:sc= -0.0025 (180deg=-0.115) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -60:sc= 0.817 USER MOD Single : A 47 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.037) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 50 ASN : amide:sc= 0.0499 X(o=0.05,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.35) USER MOD Single : A 58 CYS SG : rot 28:sc= -2.62 USER MOD Single : A 61 ASN : amide:sc= 0.211 K(o=0.21,f=-1.3) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 66 TYR OH : rot 60:sc= -2.5! USER MOD Single : A 67 MET CE :methyl -169:sc= 0 (180deg=-0.18) USER MOD Single : A 71 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-2.4!) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.814 USER MOD Single : A 75 THR OG1 : rot 153:sc= -0.349 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -3.01 K(o=-3,f=-3.8!) USER MOD Single : A 104 GLN : amide:sc= -2.78 K(o=-2.8,f=-0.93) USER MOD Single : A 105 ASN : amide:sc= 0.214 X(o=0.21,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -5:sc= 0.593 USER MOD Single : A 112 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 2.946 -1.375 -3.363 1.00 0.00 N ATOM 318 CA LYS A 21 2.910 -1.477 -1.909 1.00 0.00 C ATOM 319 C LYS A 21 1.489 -1.715 -1.406 1.00 0.00 C ATOM 320 O LYS A 21 1.069 -2.861 -1.258 1.00 0.00 O ATOM 321 CB LYS A 21 3.507 -0.215 -1.293 1.00 0.00 C ATOM 322 CG LYS A 21 3.503 -0.194 0.226 1.00 0.00 C ATOM 323 CD LYS A 21 4.850 0.261 0.765 1.00 0.00 C ATOM 324 CE LYS A 21 5.176 1.678 0.315 1.00 0.00 C ATOM 325 NZ LYS A 21 5.925 1.703 -0.973 1.00 0.00 N ATOM 0 HA LYS A 21 3.507 -2.336 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.534 -0.106 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.952 0.650 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.719 0.474 0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.271 -1.189 0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.842 0.216 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.630 -0.420 0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.251 2.244 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.765 2.175 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.385 2.628 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.648 0.955 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.266 1.543 -1.761 1.00 0.00 H new ATOM 339 N ARG A 22 0.744 -0.639 -1.156 1.00 0.00 N ATOM 340 CA ARG A 22 -0.629 -0.764 -0.683 1.00 0.00 C ATOM 341 C ARG A 22 -1.599 -0.242 -1.731 1.00 0.00 C ATOM 342 O ARG A 22 -1.267 0.661 -2.496 1.00 0.00 O ATOM 343 CB ARG A 22 -0.822 -0.003 0.626 1.00 0.00 C ATOM 344 CG ARG A 22 -0.172 1.369 0.641 1.00 0.00 C ATOM 345 CD ARG A 22 -0.322 2.023 2.004 1.00 0.00 C ATOM 346 NE ARG A 22 0.584 1.432 2.987 1.00 0.00 N ATOM 347 CZ ARG A 22 1.905 1.591 2.960 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.469 2.322 2.006 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.666 1.020 3.883 1.00 0.00 N ATOM 0 H ARG A 22 1.067 0.321 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.831 -1.820 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.889 0.109 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.414 -0.597 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.885 1.278 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.627 2.000 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.122 3.091 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.351 1.918 2.347 1.00 0.00 H new ATOM 0 HE ARG A 22 0.182 0.867 3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.890 2.763 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.482 2.443 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.240 0.456 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.678 1.145 3.858 1.00 0.00 H new ATOM 363 N LYS A 23 -2.792 -0.825 -1.776 1.00 0.00 N ATOM 364 CA LYS A 23 -3.796 -0.420 -2.745 1.00 0.00 C ATOM 365 C LYS A 23 -5.189 -0.395 -2.126 1.00 0.00 C ATOM 366 O LYS A 23 -5.580 -1.329 -1.426 1.00 0.00 O ATOM 367 CB LYS A 23 -3.764 -1.371 -3.931 1.00 0.00 C ATOM 368 CG LYS A 23 -2.587 -1.117 -4.849 1.00 0.00 C ATOM 369 CD LYS A 23 -2.495 -2.151 -5.958 1.00 0.00 C ATOM 370 CE LYS A 23 -1.956 -3.470 -5.441 1.00 0.00 C ATOM 371 NZ LYS A 23 -2.567 -4.632 -6.141 1.00 0.00 N ATOM 0 H LYS A 23 -3.084 -1.578 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.566 0.592 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.722 -2.398 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.690 -1.271 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.677 -0.123 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.665 -1.127 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.481 -2.306 -6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.848 -1.778 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.874 -3.496 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.151 -3.547 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.172 -5.515 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.597 -4.622 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.360 -4.572 -7.158 1.00 0.00 H new ATOM 385 N ILE A 24 -5.934 0.679 -2.383 1.00 0.00 N ATOM 386 CA ILE A 24 -7.284 0.808 -1.841 1.00 0.00 C ATOM 387 C ILE A 24 -8.330 0.559 -2.914 1.00 0.00 C ATOM 388 O ILE A 24 -8.100 0.832 -4.091 1.00 0.00 O ATOM 389 CB ILE A 24 -7.530 2.197 -1.222 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.405 2.552 -0.251 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.881 2.227 -0.514 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.712 3.855 -0.583 1.00 0.00 C ATOM 0 H ILE A 24 -5.629 1.465 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.372 0.055 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.542 2.940 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.812 2.613 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.669 1.748 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.043 3.214 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.673 2.011 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.894 1.477 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.925 4.045 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.275 3.791 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.436 4.669 -0.556 1.00 0.00 H new ATOM 404 N ILE A 25 -9.487 0.048 -2.501 1.00 0.00 N ATOM 405 CA ILE A 25 -10.582 -0.238 -3.422 1.00 0.00 C ATOM 406 C ILE A 25 -11.816 0.598 -3.078 1.00 0.00 C ATOM 407 O ILE A 25 -12.101 0.851 -1.906 1.00 0.00 O ATOM 408 CB ILE A 25 -10.953 -1.742 -3.385 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.929 -2.560 -4.169 1.00 0.00 C ATOM 410 CG2 ILE A 25 -12.349 -1.982 -3.945 1.00 0.00 C ATOM 411 CD1 ILE A 25 -8.637 -2.798 -3.423 1.00 0.00 C ATOM 0 H ILE A 25 -9.690 -0.178 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.245 0.022 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.945 -2.062 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.370 -3.522 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.708 -2.047 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.579 -3.047 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.079 -1.431 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.390 -1.641 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.961 -3.385 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.172 -1.841 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.844 -3.339 -2.500 1.00 0.00 H new ATOM 423 N VAL A 26 -12.553 1.012 -4.105 1.00 0.00 N ATOM 424 CA VAL A 26 -13.764 1.799 -3.911 1.00 0.00 C ATOM 425 C VAL A 26 -14.930 1.188 -4.681 1.00 0.00 C ATOM 426 O VAL A 26 -14.888 1.081 -5.907 1.00 0.00 O ATOM 427 CB VAL A 26 -13.570 3.259 -4.363 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.291 3.326 -5.856 1.00 0.00 C ATOM 429 CG2 VAL A 26 -14.789 4.095 -4.005 1.00 0.00 C ATOM 0 H VAL A 26 -12.331 0.814 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.984 1.791 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.708 3.669 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.157 4.366 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.385 2.764 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.131 2.897 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.634 5.123 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.669 3.686 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.939 4.076 -2.926 1.00 0.00 H new ATOM 439 N ALA A 27 -15.965 0.781 -3.957 1.00 0.00 N ATOM 440 CA ALA A 27 -17.134 0.172 -4.576 1.00 0.00 C ATOM 441 C ALA A 27 -18.365 1.051 -4.422 1.00 0.00 C ATOM 442 O ALA A 27 -18.738 1.424 -3.310 1.00 0.00 O ATOM 443 CB ALA A 27 -17.384 -1.201 -3.982 1.00 0.00 C ATOM 0 H ALA A 27 -16.018 0.862 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.935 0.066 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.260 -1.647 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.516 -1.837 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.556 -1.108 -2.910 1.00 0.00 H new ATOM 449 N CYS A 28 -18.992 1.383 -5.546 1.00 0.00 N ATOM 450 CA CYS A 28 -20.182 2.229 -5.533 1.00 0.00 C ATOM 451 C CYS A 28 -19.946 3.469 -4.672 1.00 0.00 C ATOM 452 O CYS A 28 -18.807 3.781 -4.321 1.00 0.00 O ATOM 453 CB CYS A 28 -21.383 1.435 -5.010 1.00 0.00 C ATOM 454 SG CYS A 28 -22.006 0.195 -6.168 1.00 0.00 S ATOM 0 H CYS A 28 -18.698 1.081 -6.475 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.393 2.554 -6.552 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -21.101 0.940 -4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -22.188 2.130 -4.770 1.00 0.00 H new ATOM 0 HG CYS A 28 -23.018 -0.425 -5.637 1.00 0.00 H new ATOM 510 N THR A 34 -19.623 12.432 -8.302 1.00 0.00 N ATOM 511 CA THR A 34 -18.804 12.500 -7.097 1.00 0.00 C ATOM 512 C THR A 34 -17.571 11.604 -7.216 1.00 0.00 C ATOM 513 O THR A 34 -16.589 11.789 -6.502 1.00 0.00 O ATOM 514 CB THR A 34 -19.633 12.101 -5.875 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.895 12.742 -5.901 1.00 0.00 O ATOM 516 CG2 THR A 34 -18.972 12.446 -4.558 1.00 0.00 C ATOM 0 HA THR A 34 -18.462 13.528 -6.976 1.00 0.00 H new ATOM 0 HB THR A 34 -19.733 11.017 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.098 13.028 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.616 12.135 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.015 11.930 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.809 13.522 -4.504 1.00 0.00 H new ATOM 524 N SER A 35 -17.626 10.633 -8.123 1.00 0.00 N ATOM 525 CA SER A 35 -16.507 9.714 -8.332 1.00 0.00 C ATOM 526 C SER A 35 -15.199 10.467 -8.500 1.00 0.00 C ATOM 527 O SER A 35 -14.177 10.106 -7.917 1.00 0.00 O ATOM 528 CB SER A 35 -16.741 8.869 -9.578 1.00 0.00 C ATOM 529 OG SER A 35 -16.054 7.630 -9.494 1.00 0.00 O ATOM 0 H SER A 35 -18.431 10.461 -8.725 1.00 0.00 H new ATOM 0 HA SER A 35 -16.443 9.075 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.809 8.688 -9.703 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.405 9.415 -10.459 1.00 0.00 H new ATOM 0 HG SER A 35 -16.223 7.107 -10.305 1.00 0.00 H new ATOM 535 N THR A 36 -15.246 11.517 -9.305 1.00 0.00 N ATOM 536 CA THR A 36 -14.072 12.331 -9.566 1.00 0.00 C ATOM 537 C THR A 36 -13.583 13.001 -8.288 1.00 0.00 C ATOM 538 O THR A 36 -12.383 13.201 -8.105 1.00 0.00 O ATOM 539 CB THR A 36 -14.385 13.377 -10.634 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.771 13.668 -10.653 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.989 12.936 -12.027 1.00 0.00 C ATOM 0 H THR A 36 -16.089 11.825 -9.790 1.00 0.00 H new ATOM 0 HA THR A 36 -13.276 11.683 -9.933 1.00 0.00 H new ATOM 0 HB THR A 36 -13.800 14.257 -10.366 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.955 14.341 -11.341 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.237 13.721 -12.741 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.917 12.743 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.528 12.025 -12.287 1.00 0.00 H new ATOM 549 N MET A 37 -14.515 13.336 -7.399 1.00 0.00 N ATOM 550 CA MET A 37 -14.162 13.970 -6.136 1.00 0.00 C ATOM 551 C MET A 37 -13.219 13.077 -5.345 1.00 0.00 C ATOM 552 O MET A 37 -12.140 13.508 -4.949 1.00 0.00 O ATOM 553 CB MET A 37 -15.412 14.273 -5.306 1.00 0.00 C ATOM 554 CG MET A 37 -16.194 15.477 -5.798 1.00 0.00 C ATOM 555 SD MET A 37 -15.370 17.036 -5.425 1.00 0.00 S ATOM 556 CE MET A 37 -14.826 17.530 -7.057 1.00 0.00 C ATOM 0 H MET A 37 -15.514 13.179 -7.531 1.00 0.00 H new ATOM 0 HA MET A 37 -13.661 14.912 -6.359 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.064 13.399 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.118 14.441 -4.270 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.340 15.396 -6.875 1.00 0.00 H new ATOM 0 HG3 MET A 37 -17.184 15.475 -5.341 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.962 18.189 -6.969 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.551 16.646 -7.632 1.00 0.00 H new ATOM 0 HE3 MET A 37 -15.633 18.057 -7.566 1.00 0.00 H new ATOM 566 N ALA A 38 -13.631 11.830 -5.123 1.00 0.00 N ATOM 567 CA ALA A 38 -12.815 10.879 -4.381 1.00 0.00 C ATOM 568 C ALA A 38 -11.548 10.530 -5.148 1.00 0.00 C ATOM 569 O ALA A 38 -10.440 10.740 -4.658 1.00 0.00 O ATOM 570 CB ALA A 38 -13.614 9.619 -4.077 1.00 0.00 C ATOM 0 H ALA A 38 -14.524 11.458 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.523 11.346 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.991 8.918 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.489 9.878 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.936 9.158 -5.011 1.00 0.00 H new ATOM 576 N ALA A 39 -11.713 10.002 -6.360 1.00 0.00 N ATOM 577 CA ALA A 39 -10.578 9.626 -7.197 1.00 0.00 C ATOM 578 C ALA A 39 -9.485 10.690 -7.166 1.00 0.00 C ATOM 579 O ALA A 39 -8.355 10.417 -6.769 1.00 0.00 O ATOM 580 CB ALA A 39 -11.038 9.379 -8.628 1.00 0.00 C ATOM 0 H ALA A 39 -12.624 9.825 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.156 8.705 -6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.182 9.099 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.772 8.573 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.489 10.287 -9.027 1.00 0.00 H new ATOM 586 N GLU A 40 -9.831 11.904 -7.581 1.00 0.00 N ATOM 587 CA GLU A 40 -8.872 13.002 -7.595 1.00 0.00 C ATOM 588 C GLU A 40 -8.391 13.329 -6.183 1.00 0.00 C ATOM 589 O GLU A 40 -7.231 13.692 -5.986 1.00 0.00 O ATOM 590 CB GLU A 40 -9.489 14.244 -8.243 1.00 0.00 C ATOM 591 CG GLU A 40 -9.482 14.205 -9.763 1.00 0.00 C ATOM 592 CD GLU A 40 -8.082 14.277 -10.344 1.00 0.00 C ATOM 593 OE1 GLU A 40 -7.136 14.568 -9.582 1.00 0.00 O ATOM 594 OE2 GLU A 40 -7.933 14.044 -11.562 1.00 0.00 O ATOM 0 H GLU A 40 -10.764 12.152 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.011 12.688 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.516 14.352 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.944 15.127 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.965 13.288 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.073 15.036 -10.146 1.00 0.00 H new ATOM 601 N GLU A 41 -9.282 13.202 -5.202 1.00 0.00 N ATOM 602 CA GLU A 41 -8.931 13.488 -3.812 1.00 0.00 C ATOM 603 C GLU A 41 -7.900 12.490 -3.296 1.00 0.00 C ATOM 604 O GLU A 41 -6.866 12.874 -2.754 1.00 0.00 O ATOM 605 CB GLU A 41 -10.172 13.453 -2.915 1.00 0.00 C ATOM 606 CG GLU A 41 -10.555 14.811 -2.351 1.00 0.00 C ATOM 607 CD GLU A 41 -9.626 15.260 -1.240 1.00 0.00 C ATOM 608 OE1 GLU A 41 -9.821 14.815 -0.089 1.00 0.00 O ATOM 609 OE2 GLU A 41 -8.703 16.052 -1.521 1.00 0.00 O ATOM 0 H GLU A 41 -10.248 12.905 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.502 14.489 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.011 13.057 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.994 12.764 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.543 15.550 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.576 14.769 -1.972 1.00 0.00 H new ATOM 616 N ILE A 42 -8.190 11.206 -3.458 1.00 0.00 N ATOM 617 CA ILE A 42 -7.284 10.162 -3.001 1.00 0.00 C ATOM 618 C ILE A 42 -5.984 10.182 -3.798 1.00 0.00 C ATOM 619 O ILE A 42 -4.908 9.933 -3.254 1.00 0.00 O ATOM 620 CB ILE A 42 -7.922 8.762 -3.111 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.338 8.766 -2.527 1.00 0.00 C ATOM 622 CG2 ILE A 42 -7.057 7.730 -2.402 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.408 9.248 -1.095 1.00 0.00 C ATOM 0 H ILE A 42 -9.043 10.864 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.072 10.367 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.988 8.495 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.974 9.400 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.746 7.757 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.520 6.747 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.068 7.707 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.963 7.996 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.442 9.222 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.800 8.600 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.032 10.269 -1.036 1.00 0.00 H new ATOM 635 N LYS A 43 -6.089 10.479 -5.090 1.00 0.00 N ATOM 636 CA LYS A 43 -4.917 10.532 -5.957 1.00 0.00 C ATOM 637 C LYS A 43 -4.003 11.689 -5.570 1.00 0.00 C ATOM 638 O LYS A 43 -2.823 11.492 -5.288 1.00 0.00 O ATOM 639 CB LYS A 43 -5.334 10.666 -7.424 1.00 0.00 C ATOM 640 CG LYS A 43 -4.488 9.835 -8.375 1.00 0.00 C ATOM 641 CD LYS A 43 -4.292 10.542 -9.707 1.00 0.00 C ATOM 642 CE LYS A 43 -3.229 11.627 -9.615 1.00 0.00 C ATOM 643 NZ LYS A 43 -3.760 12.964 -10.001 1.00 0.00 N ATOM 0 H LYS A 43 -6.971 10.686 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.368 9.599 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.378 10.369 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.271 11.714 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.517 9.636 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.966 8.870 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.005 9.815 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.236 10.983 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.843 11.671 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.391 11.369 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.003 13.673 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.105 12.931 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.543 13.223 -9.367 1.00 0.00 H new ATOM 657 N GLU A 44 -4.552 12.900 -5.556 1.00 0.00 N ATOM 658 CA GLU A 44 -3.773 14.082 -5.202 1.00 0.00 C ATOM 659 C GLU A 44 -3.090 13.896 -3.848 1.00 0.00 C ATOM 660 O GLU A 44 -1.985 14.391 -3.628 1.00 0.00 O ATOM 661 CB GLU A 44 -4.664 15.329 -5.178 1.00 0.00 C ATOM 662 CG GLU A 44 -5.669 15.344 -4.039 1.00 0.00 C ATOM 663 CD GLU A 44 -5.272 16.288 -2.919 1.00 0.00 C ATOM 664 OE1 GLU A 44 -4.417 15.904 -2.094 1.00 0.00 O ATOM 665 OE2 GLU A 44 -5.820 17.409 -2.866 1.00 0.00 O ATOM 0 H GLU A 44 -5.528 13.088 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.003 14.218 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.032 16.214 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.201 15.399 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.645 15.636 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.773 14.336 -3.639 1.00 0.00 H new ATOM 672 N LEU A 45 -3.757 13.181 -2.946 1.00 0.00 N ATOM 673 CA LEU A 45 -3.218 12.934 -1.613 1.00 0.00 C ATOM 674 C LEU A 45 -1.964 12.070 -1.682 1.00 0.00 C ATOM 675 O LEU A 45 -0.893 12.480 -1.233 1.00 0.00 O ATOM 676 CB LEU A 45 -4.268 12.255 -0.733 1.00 0.00 C ATOM 677 CG LEU A 45 -3.829 11.994 0.710 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.990 12.208 1.669 1.00 0.00 C ATOM 679 CD2 LEU A 45 -3.262 10.586 0.852 1.00 0.00 C ATOM 0 H LEU A 45 -4.672 12.763 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.951 13.896 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.164 12.875 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.545 11.305 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.042 12.704 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.659 12.018 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.344 13.236 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.801 11.524 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.956 10.420 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.025 9.857 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.400 10.473 0.195 1.00 0.00 H new ATOM 691 N CYS A 46 -2.102 10.870 -2.240 1.00 0.00 N ATOM 692 CA CYS A 46 -0.975 9.951 -2.358 1.00 0.00 C ATOM 693 C CYS A 46 0.236 10.652 -2.971 1.00 0.00 C ATOM 694 O CYS A 46 1.374 10.393 -2.585 1.00 0.00 O ATOM 695 CB CYS A 46 -1.367 8.721 -3.191 1.00 0.00 C ATOM 696 SG CYS A 46 -1.414 8.997 -4.980 1.00 0.00 S ATOM 0 H CYS A 46 -2.980 10.513 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.702 9.617 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.661 7.917 -2.980 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.349 8.377 -2.865 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.276 9.931 -5.252 1.00 0.00 H new ATOM 702 N GLN A 47 -0.016 11.537 -3.929 1.00 0.00 N ATOM 703 CA GLN A 47 1.056 12.270 -4.593 1.00 0.00 C ATOM 704 C GLN A 47 1.546 13.420 -3.720 1.00 0.00 C ATOM 705 O GLN A 47 2.733 13.744 -3.710 1.00 0.00 O ATOM 706 CB GLN A 47 0.576 12.808 -5.942 1.00 0.00 C ATOM 707 CG GLN A 47 1.707 13.204 -6.878 1.00 0.00 C ATOM 708 CD GLN A 47 1.631 12.499 -8.219 1.00 0.00 C ATOM 709 OE1 GLN A 47 1.726 13.130 -9.271 1.00 0.00 O ATOM 710 NE2 GLN A 47 1.458 11.182 -8.186 1.00 0.00 N ATOM 0 H GLN A 47 -0.953 11.764 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 47 1.885 11.582 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.038 12.050 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.063 13.674 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.681 14.282 -7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.662 12.974 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.384 10.700 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.399 10.653 -9.056 1.00 0.00 H new ATOM 719 N SER A 48 0.623 14.037 -2.987 1.00 0.00 N ATOM 720 CA SER A 48 0.963 15.153 -2.113 1.00 0.00 C ATOM 721 C SER A 48 2.113 14.791 -1.178 1.00 0.00 C ATOM 722 O SER A 48 3.047 15.573 -0.995 1.00 0.00 O ATOM 723 CB SER A 48 -0.256 15.576 -1.292 1.00 0.00 C ATOM 724 OG SER A 48 -0.336 16.986 -1.189 1.00 0.00 O ATOM 0 H SER A 48 -0.365 13.782 -2.982 1.00 0.00 H new ATOM 0 HA SER A 48 1.280 15.984 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.163 15.190 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.197 15.138 -0.296 1.00 0.00 H new ATOM 0 HG SER A 48 -1.124 17.231 -0.661 1.00 0.00 H new ATOM 730 N HIS A 49 2.038 13.604 -0.584 1.00 0.00 N ATOM 731 CA HIS A 49 3.072 13.142 0.337 1.00 0.00 C ATOM 732 C HIS A 49 3.974 12.097 -0.323 1.00 0.00 C ATOM 733 O HIS A 49 4.829 11.503 0.334 1.00 0.00 O ATOM 734 CB HIS A 49 2.441 12.557 1.602 1.00 0.00 C ATOM 735 CG HIS A 49 1.505 13.497 2.296 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.190 14.744 1.803 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.808 13.365 3.452 1.00 0.00 C ATOM 738 CE1 HIS A 49 0.343 15.342 2.621 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.094 14.526 3.630 1.00 0.00 N ATOM 0 H HIS A 49 1.273 12.944 -0.724 1.00 0.00 H new ATOM 0 HA HIS A 49 3.683 14.003 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.901 11.647 1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.233 12.270 2.294 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.813 12.508 4.109 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.075 16.329 2.488 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.527 14.725 4.414 1.00 0.00 H new ATOM 748 N ASN A 50 3.780 11.876 -1.621 1.00 0.00 N ATOM 749 CA ASN A 50 4.578 10.906 -2.360 1.00 0.00 C ATOM 750 C ASN A 50 4.462 9.519 -1.736 1.00 0.00 C ATOM 751 O ASN A 50 5.460 8.819 -1.569 1.00 0.00 O ATOM 752 CB ASN A 50 6.045 11.344 -2.406 1.00 0.00 C ATOM 753 CG ASN A 50 6.387 12.085 -3.684 1.00 0.00 C ATOM 754 OD1 ASN A 50 7.273 11.677 -4.434 1.00 0.00 O ATOM 755 ND2 ASN A 50 5.683 13.181 -3.938 1.00 0.00 N ATOM 0 H ASN A 50 3.076 12.357 -2.181 1.00 0.00 H new ATOM 0 HA ASN A 50 4.194 10.857 -3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.257 11.985 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.686 10.467 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.868 13.721 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.957 13.483 -3.288 1.00 0.00 H new ATOM 762 N ILE A 51 3.238 9.128 -1.397 1.00 0.00 N ATOM 763 CA ILE A 51 2.986 7.823 -0.797 1.00 0.00 C ATOM 764 C ILE A 51 2.619 6.794 -1.867 1.00 0.00 C ATOM 765 O ILE A 51 1.516 6.823 -2.410 1.00 0.00 O ATOM 766 CB ILE A 51 1.846 7.891 0.240 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.095 9.031 1.227 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.709 6.563 0.975 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.900 9.345 2.102 1.00 0.00 C ATOM 0 H ILE A 51 2.403 9.698 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 51 3.905 7.520 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 51 0.911 8.086 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.942 8.772 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.374 9.927 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.900 6.631 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.487 5.772 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.642 6.335 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.149 10.164 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.056 9.635 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.633 8.463 2.684 1.00 0.00 H new ATOM 781 N PRO A 52 3.545 5.874 -2.193 1.00 0.00 N ATOM 782 CA PRO A 52 3.310 4.841 -3.211 1.00 0.00 C ATOM 783 C PRO A 52 2.061 4.010 -2.928 1.00 0.00 C ATOM 784 O PRO A 52 2.095 3.064 -2.140 1.00 0.00 O ATOM 785 CB PRO A 52 4.569 3.972 -3.136 1.00 0.00 C ATOM 786 CG PRO A 52 5.612 4.877 -2.577 1.00 0.00 C ATOM 787 CD PRO A 52 4.895 5.768 -1.608 1.00 0.00 C ATOM 0 HA PRO A 52 3.136 5.275 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.414 3.102 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.853 3.598 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.398 4.309 -2.079 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.089 5.459 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.869 5.337 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.376 6.742 -1.523 1.00 0.00 H new ATOM 795 N VAL A 53 0.963 4.375 -3.584 1.00 0.00 N ATOM 796 CA VAL A 53 -0.309 3.678 -3.421 1.00 0.00 C ATOM 797 C VAL A 53 -1.099 3.682 -4.726 1.00 0.00 C ATOM 798 O VAL A 53 -1.001 4.619 -5.519 1.00 0.00 O ATOM 799 CB VAL A 53 -1.174 4.336 -2.324 1.00 0.00 C ATOM 800 CG1 VAL A 53 -2.355 3.449 -1.954 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.339 4.663 -1.096 1.00 0.00 C ATOM 0 H VAL A 53 0.929 5.156 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.076 2.654 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.567 5.270 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.947 3.936 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.975 3.283 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.989 2.492 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.972 5.125 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.095 3.746 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.459 5.352 -1.372 1.00 0.00 H new ATOM 811 N GLU A 54 -1.893 2.637 -4.941 1.00 0.00 N ATOM 812 CA GLU A 54 -2.708 2.534 -6.148 1.00 0.00 C ATOM 813 C GLU A 54 -4.179 2.333 -5.781 1.00 0.00 C ATOM 814 O GLU A 54 -4.530 1.402 -5.051 1.00 0.00 O ATOM 815 CB GLU A 54 -2.213 1.390 -7.048 1.00 0.00 C ATOM 816 CG GLU A 54 -0.806 0.901 -6.715 1.00 0.00 C ATOM 817 CD GLU A 54 -0.075 0.355 -7.924 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.292 1.159 -8.807 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.133 -0.874 -7.987 1.00 0.00 O ATOM 0 H GLU A 54 -1.990 1.852 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.613 3.466 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.906 0.552 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.235 1.723 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.231 1.723 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.867 0.125 -5.951 1.00 0.00 H new ATOM 826 N LEU A 55 -5.032 3.229 -6.278 1.00 0.00 N ATOM 827 CA LEU A 55 -6.463 3.177 -5.998 1.00 0.00 C ATOM 828 C LEU A 55 -7.220 2.439 -7.105 1.00 0.00 C ATOM 829 O LEU A 55 -7.196 2.839 -8.268 1.00 0.00 O ATOM 830 CB LEU A 55 -7.013 4.598 -5.844 1.00 0.00 C ATOM 831 CG LEU A 55 -8.329 4.714 -5.070 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.071 5.107 -3.622 1.00 0.00 C ATOM 833 CD2 LEU A 55 -9.249 5.722 -5.742 1.00 0.00 C ATOM 0 H LEU A 55 -4.752 4.003 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.608 2.627 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.261 5.208 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.157 5.023 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.818 3.740 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.020 5.184 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.448 4.350 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.560 6.069 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.181 5.794 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.764 6.698 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.463 5.397 -6.760 1.00 0.00 H new ATOM 845 N ILE A 56 -7.887 1.357 -6.723 1.00 0.00 N ATOM 846 CA ILE A 56 -8.659 0.542 -7.664 1.00 0.00 C ATOM 847 C ILE A 56 -10.152 0.809 -7.513 1.00 0.00 C ATOM 848 O ILE A 56 -10.621 1.148 -6.427 1.00 0.00 O ATOM 849 CB ILE A 56 -8.395 -0.974 -7.505 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.866 -1.296 -6.111 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.424 -1.459 -8.572 1.00 0.00 C ATOM 852 CD1 ILE A 56 -6.429 -0.890 -5.889 1.00 0.00 C ATOM 0 H ILE A 56 -7.911 1.018 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.327 0.835 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.342 -1.498 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.492 -0.796 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.961 -2.368 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.249 -2.527 -8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.847 -1.275 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.480 -0.923 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.129 -1.153 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.790 -1.410 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.329 0.186 -6.029 1.00 0.00 H new ATOM 864 N GLN A 57 -10.900 0.643 -8.602 1.00 0.00 N ATOM 865 CA GLN A 57 -12.339 0.859 -8.583 1.00 0.00 C ATOM 866 C GLN A 57 -13.072 -0.376 -9.106 1.00 0.00 C ATOM 867 O GLN A 57 -12.779 -0.860 -10.198 1.00 0.00 O ATOM 868 CB GLN A 57 -12.686 2.075 -9.441 1.00 0.00 C ATOM 869 CG GLN A 57 -14.178 2.310 -9.595 1.00 0.00 C ATOM 870 CD GLN A 57 -14.617 3.644 -9.029 1.00 0.00 C ATOM 871 OE1 GLN A 57 -15.628 3.734 -8.332 1.00 0.00 O ATOM 872 NE2 GLN A 57 -13.853 4.689 -9.324 1.00 0.00 N ATOM 0 H GLN A 57 -10.529 0.359 -9.509 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.655 1.039 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.232 2.962 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.243 1.949 -10.429 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.443 2.262 -10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.722 1.510 -9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.024 4.567 -9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.095 5.614 -8.969 1.00 0.00 H new ATOM 881 N CYS A 58 -14.022 -0.879 -8.323 1.00 0.00 N ATOM 882 CA CYS A 58 -14.796 -2.062 -8.706 1.00 0.00 C ATOM 883 C CYS A 58 -16.071 -2.157 -7.874 1.00 0.00 C ATOM 884 O CYS A 58 -16.216 -1.450 -6.880 1.00 0.00 O ATOM 885 CB CYS A 58 -13.957 -3.324 -8.527 1.00 0.00 C ATOM 886 SG CYS A 58 -12.886 -3.719 -9.932 1.00 0.00 S ATOM 0 H CYS A 58 -14.277 -0.487 -7.417 1.00 0.00 H new ATOM 0 HA CYS A 58 -15.072 -1.969 -9.757 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.339 -3.211 -7.636 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.625 -4.167 -8.347 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.563 -2.623 -10.553 1.00 0.00 H new ATOM 892 N ARG A 59 -16.996 -3.026 -8.275 1.00 0.00 N ATOM 893 CA ARG A 59 -18.255 -3.195 -7.556 1.00 0.00 C ATOM 894 C ARG A 59 -18.030 -3.742 -6.150 1.00 0.00 C ATOM 895 O ARG A 59 -16.922 -3.688 -5.629 1.00 0.00 O ATOM 896 CB ARG A 59 -19.180 -4.127 -8.342 1.00 0.00 C ATOM 897 CG ARG A 59 -20.526 -3.504 -8.675 1.00 0.00 C ATOM 898 CD ARG A 59 -21.671 -4.471 -8.426 1.00 0.00 C ATOM 899 NE ARG A 59 -22.741 -4.319 -9.413 1.00 0.00 N ATOM 900 CZ ARG A 59 -22.890 -5.105 -10.482 1.00 0.00 C ATOM 901 NH1 ARG A 59 -22.047 -6.105 -10.709 1.00 0.00 N ATOM 902 NH2 ARG A 59 -23.887 -4.887 -11.330 1.00 0.00 N ATOM 0 H ARG A 59 -16.896 -3.624 -9.095 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.722 -2.215 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.685 -4.421 -9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.342 -5.037 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.670 -2.607 -8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.534 -3.192 -9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.295 -5.494 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -22.074 -4.307 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 59 -23.415 -3.566 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -21.276 -6.279 -10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.170 -6.700 -11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -24.538 -4.120 -11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.002 -5.487 -12.147 1.00 0.00 H new ATOM 916 N VAL A 60 -19.091 -4.290 -5.554 1.00 0.00 N ATOM 917 CA VAL A 60 -19.013 -4.866 -4.213 1.00 0.00 C ATOM 918 C VAL A 60 -18.752 -6.372 -4.266 1.00 0.00 C ATOM 919 O VAL A 60 -18.574 -7.017 -3.231 1.00 0.00 O ATOM 920 CB VAL A 60 -20.305 -4.614 -3.409 1.00 0.00 C ATOM 921 CG1 VAL A 60 -20.103 -4.979 -1.944 1.00 0.00 C ATOM 922 CG2 VAL A 60 -20.752 -3.162 -3.548 1.00 0.00 C ATOM 0 H VAL A 60 -20.016 -4.346 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.179 -4.372 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.091 -5.251 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -21.025 -4.795 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -19.838 -6.033 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -19.302 -4.371 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -21.665 -3.006 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.969 -2.503 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -20.942 -2.939 -4.598 1.00 0.00 H new ATOM 932 N ASN A 61 -18.734 -6.931 -5.474 1.00 0.00 N ATOM 933 CA ASN A 61 -18.499 -8.359 -5.656 1.00 0.00 C ATOM 934 C ASN A 61 -17.405 -8.604 -6.690 1.00 0.00 C ATOM 935 O ASN A 61 -17.646 -9.199 -7.741 1.00 0.00 O ATOM 936 CB ASN A 61 -19.790 -9.054 -6.084 1.00 0.00 C ATOM 937 CG ASN A 61 -20.522 -8.292 -7.171 1.00 0.00 C ATOM 938 OD1 ASN A 61 -21.408 -7.484 -6.891 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.150 -8.544 -8.420 1.00 0.00 N ATOM 0 H ASN A 61 -18.880 -6.415 -6.342 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.169 -8.774 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -19.558 -10.058 -6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.444 -9.166 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -20.603 -8.060 -9.195 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.411 -9.222 -8.605 1.00 0.00 H new ATOM 946 N GLU A 62 -16.202 -8.140 -6.377 1.00 0.00 N ATOM 947 CA GLU A 62 -15.058 -8.301 -7.267 1.00 0.00 C ATOM 948 C GLU A 62 -13.747 -8.083 -6.512 1.00 0.00 C ATOM 949 O GLU A 62 -12.742 -8.737 -6.792 1.00 0.00 O ATOM 950 CB GLU A 62 -15.160 -7.326 -8.440 1.00 0.00 C ATOM 951 CG GLU A 62 -14.362 -7.755 -9.659 1.00 0.00 C ATOM 952 CD GLU A 62 -14.098 -6.607 -10.614 1.00 0.00 C ATOM 953 OE1 GLU A 62 -14.993 -5.751 -10.774 1.00 0.00 O ATOM 954 OE2 GLU A 62 -12.995 -6.563 -11.200 1.00 0.00 O ATOM 0 H GLU A 62 -15.992 -7.647 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.065 -9.320 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.207 -7.218 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.814 -6.344 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.412 -8.180 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.902 -8.543 -10.184 1.00 0.00 H new ATOM 961 N ILE A 63 -13.774 -7.164 -5.549 1.00 0.00 N ATOM 962 CA ILE A 63 -12.596 -6.855 -4.746 1.00 0.00 C ATOM 963 C ILE A 63 -12.002 -8.113 -4.147 1.00 0.00 C ATOM 964 O ILE A 63 -10.790 -8.223 -4.004 1.00 0.00 O ATOM 965 CB ILE A 63 -12.919 -5.892 -3.586 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.931 -4.831 -4.019 1.00 0.00 C ATOM 967 CG2 ILE A 63 -11.647 -5.240 -3.078 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.350 -5.180 -3.660 1.00 0.00 C ATOM 0 H ILE A 63 -14.602 -6.620 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.887 -6.381 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.365 -6.469 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.670 -3.879 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.861 -4.690 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.888 -4.562 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.961 -6.009 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.177 -4.680 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.016 -4.385 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -15.628 -6.116 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.435 -5.292 -2.579 1.00 0.00 H new ATOM 980 N GLU A 64 -12.861 -9.058 -3.796 1.00 0.00 N ATOM 981 CA GLU A 64 -12.413 -10.306 -3.203 1.00 0.00 C ATOM 982 C GLU A 64 -11.724 -11.194 -4.237 1.00 0.00 C ATOM 983 O GLU A 64 -10.833 -11.973 -3.901 1.00 0.00 O ATOM 984 CB GLU A 64 -13.590 -11.050 -2.566 1.00 0.00 C ATOM 985 CG GLU A 64 -13.413 -11.289 -1.075 1.00 0.00 C ATOM 986 CD GLU A 64 -13.974 -12.624 -0.621 1.00 0.00 C ATOM 987 OE1 GLU A 64 -14.504 -13.368 -1.472 1.00 0.00 O ATOM 988 OE2 GLU A 64 -13.880 -12.926 0.588 1.00 0.00 O ATOM 0 H GLU A 64 -13.872 -8.983 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.687 -10.065 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.504 -10.479 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.720 -12.009 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.352 -11.243 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.904 -10.488 -0.523 1.00 0.00 H new ATOM 995 N THR A 65 -12.141 -11.088 -5.495 1.00 0.00 N ATOM 996 CA THR A 65 -11.546 -11.904 -6.549 1.00 0.00 C ATOM 997 C THR A 65 -10.214 -11.320 -7.018 1.00 0.00 C ATOM 998 O THR A 65 -9.235 -12.049 -7.184 1.00 0.00 O ATOM 999 CB THR A 65 -12.511 -12.008 -7.730 1.00 0.00 C ATOM 1000 OG1 THR A 65 -13.852 -11.915 -7.282 1.00 0.00 O ATOM 1001 CG2 THR A 65 -12.373 -13.296 -8.514 1.00 0.00 C ATOM 0 H THR A 65 -12.878 -10.455 -5.807 1.00 0.00 H new ATOM 0 HA THR A 65 -11.356 -12.897 -6.142 1.00 0.00 H new ATOM 0 HB THR A 65 -12.252 -11.180 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.458 -11.981 -8.049 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.089 -13.300 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.362 -13.373 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.569 -14.144 -7.858 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.173 -10.004 -7.212 1.00 0.00 N ATOM 1010 CA TYR A 66 -8.944 -9.336 -7.640 1.00 0.00 C ATOM 1011 C TYR A 66 -8.120 -8.834 -6.453 1.00 0.00 C ATOM 1012 O TYR A 66 -7.175 -8.066 -6.633 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.239 -8.190 -8.615 1.00 0.00 C ATOM 1014 CG TYR A 66 -9.919 -6.992 -7.997 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -9.209 -6.082 -7.223 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -11.270 -6.763 -8.204 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -9.832 -4.979 -6.674 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -11.899 -5.665 -7.658 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.175 -4.775 -6.895 1.00 0.00 C ATOM 1020 OH TYR A 66 -11.798 -3.680 -6.350 1.00 0.00 O ATOM 0 H TYR A 66 -10.970 -9.381 -7.081 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.347 -10.084 -8.163 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.301 -7.865 -9.066 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.866 -8.570 -9.421 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.155 -6.240 -7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.840 -7.457 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.268 -4.280 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.953 -5.503 -7.827 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.374 -2.862 -6.685 1.00 0.00 H new ATOM 1030 N MET A 67 -8.459 -9.281 -5.242 1.00 0.00 N ATOM 1031 CA MET A 67 -7.716 -8.871 -4.047 1.00 0.00 C ATOM 1032 C MET A 67 -6.376 -9.596 -3.968 1.00 0.00 C ATOM 1033 O MET A 67 -6.037 -10.178 -2.936 1.00 0.00 O ATOM 1034 CB MET A 67 -8.517 -9.132 -2.766 1.00 0.00 C ATOM 1035 CG MET A 67 -8.926 -10.579 -2.589 1.00 0.00 C ATOM 1036 SD MET A 67 -8.143 -11.364 -1.165 1.00 0.00 S ATOM 1037 CE MET A 67 -9.509 -11.408 -0.004 1.00 0.00 C ATOM 0 H MET A 67 -9.234 -9.920 -5.063 1.00 0.00 H new ATOM 0 HA MET A 67 -7.541 -7.798 -4.130 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.922 -8.824 -1.906 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.411 -8.509 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.009 -10.634 -2.477 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.670 -11.136 -3.490 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.138 -11.683 0.984 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.977 -10.425 0.045 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.243 -12.143 -0.334 1.00 0.00 H new ATOM 1047 N ASP A 68 -5.609 -9.556 -5.056 1.00 0.00 N ATOM 1048 CA ASP A 68 -4.307 -10.206 -5.092 1.00 0.00 C ATOM 1049 C ASP A 68 -3.422 -9.663 -3.980 1.00 0.00 C ATOM 1050 O ASP A 68 -2.605 -10.385 -3.410 1.00 0.00 O ATOM 1051 CB ASP A 68 -3.641 -9.992 -6.454 1.00 0.00 C ATOM 1052 CG ASP A 68 -3.068 -11.273 -7.028 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -3.541 -12.363 -6.640 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -2.146 -11.188 -7.867 1.00 0.00 O ATOM 0 H ASP A 68 -5.869 -9.081 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.446 -11.276 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.371 -9.580 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.845 -9.255 -6.354 1.00 0.00 H new ATOM 1059 N GLY A 69 -3.601 -8.382 -3.672 1.00 0.00 N ATOM 1060 CA GLY A 69 -2.824 -7.754 -2.625 1.00 0.00 C ATOM 1061 C GLY A 69 -3.370 -6.395 -2.228 1.00 0.00 C ATOM 1062 O GLY A 69 -2.712 -5.376 -2.430 1.00 0.00 O ATOM 0 H GLY A 69 -4.273 -7.768 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.807 -8.404 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.793 -7.643 -2.960 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.573 -6.377 -1.654 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.192 -5.130 -1.223 1.00 0.00 C ATOM 1068 C VAL A 70 -4.770 -4.766 0.196 1.00 0.00 C ATOM 1069 O VAL A 70 -4.835 -5.592 1.107 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.732 -5.201 -1.282 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.264 -6.286 -0.354 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.340 -3.850 -0.937 1.00 0.00 C ATOM 0 H VAL A 70 -5.134 -7.210 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.848 -4.361 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.022 -5.460 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.352 -6.315 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.858 -7.252 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.963 -6.068 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.427 -3.918 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.037 -3.561 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.992 -3.102 -1.649 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.341 -3.527 0.381 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.919 -3.062 1.692 1.00 0.00 C ATOM 1084 C HIS A 71 -5.073 -2.386 2.427 1.00 0.00 C ATOM 1085 O HIS A 71 -5.086 -2.342 3.656 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.748 -2.092 1.555 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.500 -2.558 2.232 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.159 -2.197 3.516 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.497 -3.349 1.786 1.00 0.00 C ATOM 1090 CE1 HIS A 71 0.001 -2.742 3.833 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.424 -3.447 2.801 1.00 0.00 N ATOM 0 H HIS A 71 -4.276 -2.827 -0.358 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.600 -3.927 2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.540 -1.935 0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.037 -1.126 1.970 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.432 -3.816 0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.516 -2.630 4.776 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.294 -3.979 2.763 1.00 0.00 H new ATOM 1100 N LEU A 72 -6.042 -1.869 1.669 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.207 -1.202 2.249 1.00 0.00 C ATOM 1102 C LEU A 72 -8.389 -1.221 1.279 1.00 0.00 C ATOM 1103 O LEU A 72 -8.213 -1.135 0.064 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.869 0.252 2.599 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.868 0.448 3.744 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.535 0.952 3.212 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.425 1.410 4.782 1.00 0.00 C ATOM 0 H LEU A 72 -6.042 -1.900 0.649 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.482 -1.743 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.472 0.737 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.794 0.768 2.858 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.703 -0.518 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.839 1.084 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.127 0.227 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.682 1.906 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.701 1.536 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.621 2.375 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.353 1.009 5.189 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.600 -1.322 1.815 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.794 -1.333 0.975 1.00 0.00 C ATOM 1121 C ILE A 73 -11.858 -0.383 1.512 1.00 0.00 C ATOM 1122 O ILE A 73 -12.019 -0.222 2.719 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.377 -2.759 0.814 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.886 -2.715 0.541 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.066 -3.621 2.028 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.433 -4.011 -0.011 1.00 0.00 C ATOM 0 H ILE A 73 -9.781 -1.397 2.816 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.487 -0.986 -0.012 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.896 -3.216 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.408 -2.473 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -13.097 -1.911 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.488 -4.616 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.986 -3.699 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.501 -3.166 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.505 -3.910 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.936 -4.244 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.253 -4.815 0.702 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.583 0.249 0.599 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.629 1.184 0.979 1.00 0.00 C ATOM 1140 C CYS A 74 -14.946 0.833 0.296 1.00 0.00 C ATOM 1141 O CYS A 74 -15.119 1.075 -0.898 1.00 0.00 O ATOM 1142 CB CYS A 74 -13.217 2.610 0.626 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.556 3.053 1.184 1.00 0.00 S ATOM 0 H CYS A 74 -12.465 0.131 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.773 1.114 2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -13.272 2.736 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.934 3.304 1.065 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.294 4.278 0.838 1.00 0.00 H new ATOM 1149 N THR A 75 -15.874 0.263 1.058 1.00 0.00 N ATOM 1150 CA THR A 75 -17.174 -0.115 0.518 1.00 0.00 C ATOM 1151 C THR A 75 -18.299 0.522 1.327 1.00 0.00 C ATOM 1152 O THR A 75 -18.180 0.701 2.539 1.00 0.00 O ATOM 1153 CB THR A 75 -17.327 -1.640 0.519 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.059 -2.272 0.553 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.074 -2.170 -0.686 1.00 0.00 C ATOM 0 H THR A 75 -15.750 0.053 2.049 1.00 0.00 H new ATOM 0 HA THR A 75 -17.236 0.247 -0.508 1.00 0.00 H new ATOM 0 HB THR A 75 -17.907 -1.870 1.413 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.144 -3.153 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.146 -3.256 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.076 -1.741 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.539 -1.896 -1.595 1.00 0.00 H new ATOM 1163 N THR A 76 -19.391 0.858 0.650 1.00 0.00 N ATOM 1164 CA THR A 76 -20.538 1.472 1.311 1.00 0.00 C ATOM 1165 C THR A 76 -21.831 0.745 0.949 1.00 0.00 C ATOM 1166 O THR A 76 -22.811 1.365 0.536 1.00 0.00 O ATOM 1167 CB THR A 76 -20.646 2.952 0.933 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.404 3.442 0.459 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.078 3.835 2.084 1.00 0.00 C ATOM 0 H THR A 76 -19.507 0.716 -0.353 1.00 0.00 H new ATOM 0 HA THR A 76 -20.387 1.392 2.388 1.00 0.00 H new ATOM 0 HB THR A 76 -21.410 2.995 0.157 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.495 4.388 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.134 4.870 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.057 3.516 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.354 3.756 2.895 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.672 -12.983 7.678 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.232 -12.822 7.604 1.00 0.00 C ATOM 1296 C GLY A 84 -10.744 -11.618 8.383 1.00 0.00 C ATOM 1297 O GLY A 84 -10.875 -11.568 9.606 1.00 0.00 O ATOM 0 HA2 GLY A 84 -10.749 -13.720 7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.934 -12.721 6.560 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.179 -10.645 7.676 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.671 -9.437 8.309 1.00 0.00 C ATOM 1303 C ASP A 85 -9.531 -8.314 7.292 1.00 0.00 C ATOM 1304 O ASP A 85 -8.696 -7.425 7.446 1.00 0.00 O ATOM 1305 CB ASP A 85 -8.322 -9.712 8.970 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.323 -10.326 8.008 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -7.653 -11.362 7.391 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.211 -9.774 7.873 1.00 0.00 O ATOM 0 H ASP A 85 -10.062 -10.671 6.663 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.384 -9.127 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.917 -8.780 9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.465 -10.382 9.818 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.358 -8.361 6.253 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.334 -7.348 5.206 1.00 0.00 C ATOM 1315 C ILE A 86 -10.447 -5.942 5.798 1.00 0.00 C ATOM 1316 O ILE A 86 -11.523 -5.529 6.228 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.485 -7.566 4.209 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.443 -6.516 3.097 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.818 -7.523 4.934 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.794 -7.065 1.732 1.00 0.00 C ATOM 0 H ILE A 86 -11.055 -9.093 6.114 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.381 -7.441 4.686 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.367 -8.548 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.134 -5.710 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.445 -6.080 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.626 -7.678 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.846 -8.308 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.940 -6.552 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.743 -6.265 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.088 -7.851 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.804 -7.475 1.754 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.337 -5.187 5.831 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.331 -3.825 6.378 1.00 0.00 C ATOM 1334 C PRO A 87 -10.152 -2.854 5.532 1.00 0.00 C ATOM 1335 O PRO A 87 -9.597 -1.974 4.873 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.850 -3.436 6.351 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.245 -4.300 5.300 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.004 -5.596 5.346 1.00 0.00 C ATOM 0 HA PRO A 87 -9.778 -3.785 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.723 -2.379 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.380 -3.605 7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.326 -3.835 4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.184 -4.462 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.059 -6.066 4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.534 -6.315 6.017 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.473 -3.016 5.540 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.338 -2.142 4.754 1.00 0.00 C ATOM 1348 C LEU A 88 -12.935 -1.037 5.609 1.00 0.00 C ATOM 1349 O LEU A 88 -12.972 -1.131 6.836 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.475 -2.923 4.083 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.024 -4.104 4.876 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -14.514 -3.655 6.242 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -15.145 -4.786 4.100 1.00 0.00 C ATOM 0 H LEU A 88 -11.962 -3.734 6.074 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.708 -1.699 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.294 -2.233 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.120 -3.289 3.120 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.218 -4.823 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.901 -4.514 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.687 -3.213 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.306 -2.916 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.528 -5.627 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.950 -4.073 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.760 -5.146 3.146 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.408 0.008 4.944 1.00 0.00 N ATOM 1366 CA VAL A 89 -14.017 1.137 5.634 1.00 0.00 C ATOM 1367 C VAL A 89 -15.117 1.767 4.788 1.00 0.00 C ATOM 1368 O VAL A 89 -15.153 1.593 3.571 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.971 2.209 5.989 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -13.593 3.307 6.838 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.788 1.576 6.708 1.00 0.00 C ATOM 0 H VAL A 89 -13.382 0.098 3.928 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.451 0.750 6.556 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.611 2.660 5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.836 4.054 7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.406 3.778 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.983 2.877 7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.056 2.346 6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.133 1.098 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.326 0.829 6.062 1.00 0.00 H new ATOM 1381 N HIS A 90 -16.022 2.486 5.439 1.00 0.00 N ATOM 1382 CA HIS A 90 -17.126 3.131 4.740 1.00 0.00 C ATOM 1383 C HIS A 90 -16.685 4.463 4.140 1.00 0.00 C ATOM 1384 O HIS A 90 -15.843 5.161 4.706 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.306 3.343 5.692 1.00 0.00 C ATOM 1386 CG HIS A 90 -19.543 2.596 5.292 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -20.794 3.176 5.256 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -19.720 1.308 4.914 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -21.685 2.279 4.873 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -21.059 1.137 4.659 1.00 0.00 N ATOM 0 H HIS A 90 -16.014 2.637 6.448 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.443 2.478 3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -18.013 3.033 6.695 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.535 4.408 5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.951 0.555 4.829 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -22.745 2.451 4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -21.498 0.268 4.354 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.263 4.810 2.996 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.924 6.059 2.337 1.00 0.00 C ATOM 1401 C GLY A 91 -17.981 7.129 2.537 1.00 0.00 C ATOM 1402 O GLY A 91 -17.939 8.178 1.894 1.00 0.00 O ATOM 0 H GLY A 91 -17.962 4.248 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.969 6.420 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.792 5.879 1.270 1.00 0.00 H new ATOM 1406 N MET A 92 -18.928 6.870 3.436 1.00 0.00 N ATOM 1407 CA MET A 92 -19.993 7.822 3.725 1.00 0.00 C ATOM 1408 C MET A 92 -19.433 9.193 4.111 1.00 0.00 C ATOM 1409 O MET A 92 -19.937 10.219 3.652 1.00 0.00 O ATOM 1410 CB MET A 92 -20.891 7.289 4.842 1.00 0.00 C ATOM 1411 CG MET A 92 -22.056 8.208 5.176 1.00 0.00 C ATOM 1412 SD MET A 92 -21.825 9.087 6.733 1.00 0.00 S ATOM 1413 CE MET A 92 -22.084 10.778 6.204 1.00 0.00 C ATOM 0 H MET A 92 -18.978 6.007 3.977 1.00 0.00 H new ATOM 0 HA MET A 92 -20.583 7.945 2.817 1.00 0.00 H new ATOM 0 HB2 MET A 92 -21.280 6.314 4.550 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.290 7.137 5.739 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.185 8.931 4.371 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.973 7.621 5.227 1.00 0.00 H new ATOM 0 HE1 MET A 92 -22.292 11.403 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 92 -21.189 11.143 5.701 1.00 0.00 H new ATOM 0 HE3 MET A 92 -22.929 10.819 5.516 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.388 9.245 4.966 1.00 0.00 N ATOM 1424 CA PRO A 93 -17.795 10.517 5.393 1.00 0.00 C ATOM 1425 C PRO A 93 -16.939 11.163 4.306 1.00 0.00 C ATOM 1426 O PRO A 93 -16.600 12.343 4.396 1.00 0.00 O ATOM 1427 CB PRO A 93 -16.930 10.118 6.588 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.547 8.706 6.318 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.707 8.087 5.589 1.00 0.00 C ATOM 0 HA PRO A 93 -18.557 11.261 5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.052 10.758 6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.481 10.207 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.639 8.657 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.343 8.174 7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.372 7.369 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.369 7.552 6.270 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.594 10.390 3.276 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.779 10.910 2.182 1.00 0.00 C ATOM 1439 C PHE A 94 -16.650 11.581 1.122 1.00 0.00 C ATOM 1440 O PHE A 94 -16.263 12.594 0.538 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.956 9.786 1.547 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.476 9.937 1.754 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.829 11.107 1.387 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.731 8.911 2.312 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.469 11.251 1.574 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.369 9.049 2.501 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.737 10.220 2.131 1.00 0.00 C ATOM 0 H PHE A 94 -16.864 9.411 3.178 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.101 11.657 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.278 8.831 1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.164 9.754 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.396 11.915 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.220 7.993 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.978 12.168 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.799 8.242 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.673 10.330 2.277 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.825 11.010 0.878 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.750 11.552 -0.113 1.00 0.00 C ATOM 1459 C VAL A 95 -19.376 12.857 0.379 1.00 0.00 C ATOM 1460 O VAL A 95 -19.834 13.678 -0.415 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.873 10.542 -0.441 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.788 11.073 -1.537 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.282 9.201 -0.849 1.00 0.00 C ATOM 0 H VAL A 95 -18.160 10.172 1.353 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.174 11.748 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.471 10.402 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.568 10.341 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.245 12.007 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.207 11.252 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.087 8.502 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.656 9.333 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.679 8.806 -0.032 1.00 0.00 H new ATOM 1473 N SER A 96 -19.391 13.043 1.696 1.00 0.00 N ATOM 1474 CA SER A 96 -19.962 14.244 2.298 1.00 0.00 C ATOM 1475 C SER A 96 -19.411 15.511 1.650 1.00 0.00 C ATOM 1476 O SER A 96 -20.121 16.506 1.509 1.00 0.00 O ATOM 1477 CB SER A 96 -19.673 14.267 3.799 1.00 0.00 C ATOM 1478 OG SER A 96 -19.409 12.963 4.287 1.00 0.00 O ATOM 0 H SER A 96 -19.013 12.375 2.368 1.00 0.00 H new ATOM 0 HA SER A 96 -21.039 14.218 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.818 14.913 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.525 14.692 4.330 1.00 0.00 H new ATOM 0 HG SER A 96 -19.910 12.816 5.116 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.141 15.471 1.266 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.524 16.630 0.648 1.00 0.00 C ATOM 1486 C GLY A 97 -17.253 17.744 1.646 1.00 0.00 C ATOM 1487 O GLY A 97 -16.867 18.848 1.259 1.00 0.00 O ATOM 0 H GLY A 97 -17.530 14.661 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.587 16.332 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.173 17.005 -0.143 1.00 0.00 H new ATOM 1491 N VAL A 98 -17.467 17.463 2.933 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.256 18.462 3.976 1.00 0.00 C ATOM 1493 C VAL A 98 -16.518 17.887 5.190 1.00 0.00 C ATOM 1494 O VAL A 98 -15.787 18.604 5.874 1.00 0.00 O ATOM 1495 CB VAL A 98 -18.599 19.066 4.438 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.434 18.036 5.192 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -18.366 20.304 5.290 1.00 0.00 C ATOM 0 H VAL A 98 -17.785 16.556 3.274 1.00 0.00 H new ATOM 0 HA VAL A 98 -16.634 19.242 3.536 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.158 19.363 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.374 18.489 5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -19.640 17.187 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.885 17.695 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.325 20.714 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -17.779 20.036 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -17.826 21.050 4.707 1.00 0.00 H new ATOM 1507 N GLY A 99 -16.716 16.599 5.461 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.062 15.974 6.599 1.00 0.00 C ATOM 1509 C GLY A 99 -14.729 15.340 6.248 1.00 0.00 C ATOM 1510 O GLY A 99 -14.179 14.571 7.035 1.00 0.00 O ATOM 0 H GLY A 99 -17.315 15.979 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.908 16.722 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.721 15.212 7.015 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.208 15.655 5.065 1.00 0.00 N ATOM 1515 CA ILE A 100 -12.934 15.099 4.622 1.00 0.00 C ATOM 1516 C ILE A 100 -11.764 15.714 5.380 1.00 0.00 C ATOM 1517 O ILE A 100 -10.800 15.027 5.703 1.00 0.00 O ATOM 1518 CB ILE A 100 -12.719 15.319 3.116 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.927 14.814 2.332 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.453 14.614 2.652 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.470 15.822 1.351 1.00 0.00 C ATOM 0 H ILE A 100 -14.647 16.290 4.398 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.974 14.029 4.828 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.606 16.387 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.648 13.908 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.716 14.539 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.315 14.780 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.595 15.012 3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.540 13.545 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.327 15.396 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.780 16.720 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.696 16.080 0.628 1.00 0.00 H new ATOM 1533 N GLU A 101 -11.850 17.011 5.655 1.00 0.00 N ATOM 1534 CA GLU A 101 -10.785 17.713 6.370 1.00 0.00 C ATOM 1535 C GLU A 101 -10.339 16.925 7.600 1.00 0.00 C ATOM 1536 O GLU A 101 -9.144 16.710 7.814 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.252 19.110 6.785 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.181 20.179 6.637 1.00 0.00 C ATOM 1539 CD GLU A 101 -10.542 21.468 7.349 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -11.522 22.121 6.933 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -9.845 21.824 8.322 1.00 0.00 O ATOM 0 H GLU A 101 -12.643 17.598 5.395 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.934 17.808 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.117 19.388 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.582 19.080 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.238 19.801 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.022 20.385 5.578 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.306 16.490 8.399 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.015 15.718 9.599 1.00 0.00 C ATOM 1550 C ALA A 102 -10.711 14.266 9.246 1.00 0.00 C ATOM 1551 O ALA A 102 -9.765 13.674 9.766 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.183 15.796 10.570 1.00 0.00 C ATOM 0 H ALA A 102 -12.299 16.659 8.237 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.133 16.144 10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.953 15.215 11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.356 16.836 10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.078 15.394 10.096 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.519 13.699 8.352 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.337 12.316 7.922 1.00 0.00 C ATOM 1560 C LEU A 103 -9.948 12.111 7.323 1.00 0.00 C ATOM 1561 O LEU A 103 -9.185 11.260 7.778 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.409 11.930 6.900 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.420 10.452 6.495 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.480 9.690 7.275 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -12.655 10.310 4.998 1.00 0.00 C ATOM 0 H LEU A 103 -12.306 14.177 7.912 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.434 11.674 8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.387 12.186 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.269 12.535 6.004 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.446 10.025 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.472 8.643 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.268 9.762 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.461 10.119 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.660 9.254 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.615 10.755 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.859 10.819 4.455 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.625 12.901 6.304 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.326 12.810 5.642 1.00 0.00 C ATOM 1579 C GLN A 104 -7.187 12.882 6.655 1.00 0.00 C ATOM 1580 O GLN A 104 -6.274 12.060 6.637 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.171 13.929 4.612 1.00 0.00 C ATOM 1582 CG GLN A 104 -6.850 13.875 3.860 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.019 15.134 4.034 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -5.803 15.883 3.082 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -5.544 15.370 5.252 1.00 0.00 N ATOM 0 H GLN A 104 -10.245 13.613 5.917 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.279 11.847 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -8.991 13.871 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.255 14.892 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.276 13.016 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.048 13.720 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.748 14.722 6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.976 16.199 5.426 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.239 13.878 7.529 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.204 14.058 8.540 1.00 0.00 C ATOM 1596 C ASN A 105 -6.078 12.819 9.423 1.00 0.00 C ATOM 1597 O ASN A 105 -4.986 12.285 9.607 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.508 15.288 9.398 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.636 16.473 9.034 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.537 16.635 9.563 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -6.124 17.309 8.125 1.00 0.00 N ATOM 0 H ASN A 105 -7.985 14.573 7.559 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.254 14.209 8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.556 15.561 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.360 15.040 10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.582 18.125 7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.041 17.135 7.712 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.203 12.370 9.969 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.217 11.198 10.839 1.00 0.00 C ATOM 1610 C LYS A 106 -6.728 9.947 10.108 1.00 0.00 C ATOM 1611 O LYS A 106 -5.935 9.173 10.649 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.628 10.961 11.386 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.171 12.128 12.198 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.708 11.674 13.546 1.00 0.00 C ATOM 1615 CE LYS A 106 -9.863 12.843 14.506 1.00 0.00 C ATOM 1616 NZ LYS A 106 -10.654 12.470 15.711 1.00 0.00 N ATOM 0 H LYS A 106 -8.117 12.799 9.825 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.534 11.394 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.303 10.764 10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.621 10.067 12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.382 12.864 12.350 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.965 12.623 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.672 11.184 13.409 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.033 10.934 13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.878 13.194 14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.351 13.672 13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.737 13.294 16.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.603 12.159 15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.175 11.696 16.215 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.197 9.752 8.879 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.799 8.585 8.095 1.00 0.00 C ATOM 1632 C ILE A 107 -5.321 8.647 7.723 1.00 0.00 C ATOM 1633 O ILE A 107 -4.651 7.617 7.640 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.649 8.433 6.812 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.422 9.605 5.857 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -9.126 8.331 7.167 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -7.288 9.196 4.407 1.00 0.00 C ATOM 0 H ILE A 107 -7.847 10.380 8.407 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.972 7.713 8.726 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.337 7.518 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.253 10.305 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.520 10.138 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.713 8.224 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.288 7.463 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.436 9.233 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.129 10.082 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.440 8.521 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.199 8.690 4.086 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.814 9.855 7.504 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.415 10.038 7.145 1.00 0.00 C ATOM 1651 C LEU A 108 -2.519 9.850 8.361 1.00 0.00 C ATOM 1652 O LEU A 108 -1.473 9.207 8.282 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.194 11.424 6.538 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.404 11.511 5.025 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.385 12.962 4.562 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.346 10.695 4.291 1.00 0.00 C ATOM 0 H LEU A 108 -5.351 10.720 7.569 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.154 9.285 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.869 12.128 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.178 11.746 6.767 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.383 11.093 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.536 13.002 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.182 13.513 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.423 13.411 4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.511 10.768 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.356 11.081 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.414 9.651 4.598 1.00 0.00 H new ATOM 1668 N THR A 109 -2.944 10.411 9.491 1.00 0.00 N ATOM 1669 CA THR A 109 -2.185 10.305 10.731 1.00 0.00 C ATOM 1670 C THR A 109 -1.914 8.845 11.076 1.00 0.00 C ATOM 1671 O THR A 109 -0.824 8.496 11.531 1.00 0.00 O ATOM 1672 CB THR A 109 -2.943 10.981 11.877 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.288 10.541 11.915 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.957 12.491 11.777 1.00 0.00 C ATOM 0 H THR A 109 -3.810 10.943 9.572 1.00 0.00 H new ATOM 0 HA THR A 109 -1.230 10.811 10.590 1.00 0.00 H new ATOM 0 HB THR A 109 -2.408 10.698 12.784 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.463 9.957 11.148 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.510 12.906 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.934 12.866 11.794 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.437 12.789 10.845 1.00 0.00 H new ATOM 1682 N ILE A 110 -2.910 7.993 10.853 1.00 0.00 N ATOM 1683 CA ILE A 110 -2.769 6.571 11.137 1.00 0.00 C ATOM 1684 C ILE A 110 -1.882 5.887 10.098 1.00 0.00 C ATOM 1685 O ILE A 110 -1.095 4.999 10.430 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.140 5.866 11.178 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.062 6.560 12.182 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -3.974 4.395 11.535 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.532 6.298 11.935 1.00 0.00 C ATOM 0 H ILE A 110 -3.820 8.262 10.478 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.301 6.489 12.118 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.593 5.929 10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.806 6.227 13.188 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.882 7.634 12.146 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.952 3.914 11.559 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.348 3.908 10.787 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.503 4.309 12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.126 6.821 12.685 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.804 6.656 10.942 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.727 5.228 12.000 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.015 6.301 8.841 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.222 5.721 7.761 1.00 0.00 C ATOM 1703 C LEU A 111 0.256 6.064 7.918 1.00 0.00 C ATOM 1704 O LEU A 111 1.127 5.307 7.487 1.00 0.00 O ATOM 1705 CB LEU A 111 -1.729 6.212 6.403 1.00 0.00 C ATOM 1706 CG LEU A 111 -2.881 5.397 5.810 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.278 5.948 4.450 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -2.495 3.930 5.699 1.00 0.00 C ATOM 0 H LEU A 111 -2.661 7.033 8.546 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.331 4.638 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.052 7.248 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.898 6.205 5.698 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.739 5.477 6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.098 5.357 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.596 6.985 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.424 5.898 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.326 3.366 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.623 3.831 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.259 3.540 6.689 1.00 0.00 H new ATOM 1720 N GLN A 112 0.535 7.209 8.535 1.00 0.00 N ATOM 1721 CA GLN A 112 1.909 7.649 8.744 1.00 0.00 C ATOM 1722 C GLN A 112 2.489 7.044 10.019 1.00 0.00 C ATOM 1723 O GLN A 112 3.699 6.846 10.129 1.00 0.00 O ATOM 1724 CB GLN A 112 1.973 9.175 8.813 1.00 0.00 C ATOM 1725 CG GLN A 112 1.341 9.865 7.614 1.00 0.00 C ATOM 1726 CD GLN A 112 2.318 10.751 6.866 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.976 11.860 6.454 1.00 0.00 O ATOM 1728 NE2 GLN A 112 3.541 10.266 6.686 1.00 0.00 N ATOM 0 H GLN A 112 -0.172 7.848 8.898 1.00 0.00 H new ATOM 0 HA GLN A 112 2.506 7.305 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.472 9.511 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 112 3.015 9.484 8.892 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.946 9.111 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.496 10.466 7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.781 9.342 7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.240 10.818 6.189 1.00 0.00 H new ATOM 1737 N GLY A 113 1.618 6.753 10.981 1.00 0.00 N ATOM 1738 CA GLY A 113 2.066 6.174 12.234 1.00 0.00 C ATOM 1739 C GLY A 113 2.027 4.659 12.220 1.00 0.00 C ATOM 1740 O GLY A 113 1.692 4.063 13.264 1.00 0.00 O ATOM 1741 OXT GLY A 113 2.331 4.068 11.161 1.00 0.00 O ATOM 0 H GLY A 113 0.612 6.908 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.083 6.506 12.441 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.439 6.543 13.046 1.00 0.00 H new