USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 653 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 101 ASN :FLIP amide:sc= -0.587 F(o=-3.2,f=-1.3) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.707 K(o=-1.3,f=-1.9) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.545 F(o=-4.4!,f=-0.54) USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.0278 (180deg=-0.901) USER MOD Single : A 37 HIS : no HD1:sc= -0.0652 K(o=-0.065,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0133) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 1:sc= 0.472 USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= -1.2 (180deg=-3.24!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 67 THR OG1 : rot 100:sc= -0.966 USER MOD Single : A 72 CYS SG : rot 140:sc= -1.1! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 33:sc= 0.214 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -76:sc= 0.795 USER MOD Single : A 87 SER OG : rot 78:sc= 0.13 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -13:sc= 0.548 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= -3.17! (180deg=-3.27!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -156:sc= 0.479 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -148:sc= -1.1 (180deg=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.486 19.528 -0.751 1.00 0.00 N ATOM 363 CA PRO A 29 2.781 18.248 -0.865 1.00 0.00 C ATOM 364 C PRO A 29 1.298 18.371 -0.530 1.00 0.00 C ATOM 365 O PRO A 29 0.933 18.702 0.598 1.00 0.00 O ATOM 366 CB PRO A 29 3.489 17.360 0.161 1.00 0.00 C ATOM 367 CG PRO A 29 4.052 18.311 1.160 1.00 0.00 C ATOM 368 CD PRO A 29 4.412 19.553 0.393 1.00 0.00 C ATOM 0 HA PRO A 29 2.811 17.855 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.794 16.662 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.274 16.765 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.325 18.532 1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.928 17.888 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.280 20.451 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.452 19.537 0.068 1.00 0.00 H new ATOM 376 N ASP A 30 0.449 18.101 -1.515 1.00 0.00 N ATOM 377 CA ASP A 30 -0.994 18.179 -1.324 1.00 0.00 C ATOM 378 C ASP A 30 -1.625 16.792 -1.373 1.00 0.00 C ATOM 379 O ASP A 30 -1.903 16.246 -2.441 1.00 0.00 O ATOM 380 CB ASP A 30 -1.623 19.077 -2.390 1.00 0.00 C ATOM 381 CG ASP A 30 -1.507 20.550 -2.050 1.00 0.00 C ATOM 382 OD1 ASP A 30 -1.882 20.930 -0.920 1.00 0.00 O ATOM 383 OD2 ASP A 30 -1.039 21.323 -2.912 1.00 0.00 O ATOM 0 H ASP A 30 0.736 17.826 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.182 18.609 -0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.140 18.890 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.675 18.816 -2.506 1.00 0.00 H new ATOM 388 N PRO A 31 -1.857 16.204 -0.189 1.00 0.00 N ATOM 389 CA PRO A 31 -2.458 14.872 -0.071 1.00 0.00 C ATOM 390 C PRO A 31 -3.928 14.861 -0.475 1.00 0.00 C ATOM 391 O PRO A 31 -4.432 13.863 -0.991 1.00 0.00 O ATOM 392 CB PRO A 31 -2.310 14.548 1.418 1.00 0.00 C ATOM 393 CG PRO A 31 -2.246 15.876 2.090 1.00 0.00 C ATOM 394 CD PRO A 31 -1.552 16.796 1.124 1.00 0.00 C ATOM 0 HA PRO A 31 -1.978 14.148 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.153 13.961 1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.410 13.964 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.245 16.242 2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.698 15.812 3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.926 17.817 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.478 16.836 1.307 1.00 0.00 H new ATOM 402 N SER A 32 -4.611 15.977 -0.239 1.00 0.00 N ATOM 403 CA SER A 32 -6.025 16.093 -0.576 1.00 0.00 C ATOM 404 C SER A 32 -6.256 15.801 -2.055 1.00 0.00 C ATOM 405 O SER A 32 -7.280 15.232 -2.435 1.00 0.00 O ATOM 406 CB SER A 32 -6.538 17.493 -0.235 1.00 0.00 C ATOM 407 OG SER A 32 -7.948 17.499 -0.091 1.00 0.00 O ATOM 0 H SER A 32 -4.208 16.813 0.184 1.00 0.00 H new ATOM 0 HA SER A 32 -6.575 15.358 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.074 17.839 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.247 18.191 -1.019 1.00 0.00 H new ATOM 0 HG SER A 32 -8.251 18.405 0.128 1.00 0.00 H new ATOM 413 N LYS A 33 -5.298 16.194 -2.887 1.00 0.00 N ATOM 414 CA LYS A 33 -5.394 15.974 -4.325 1.00 0.00 C ATOM 415 C LYS A 33 -5.084 14.523 -4.676 1.00 0.00 C ATOM 416 O LYS A 33 -5.407 14.054 -5.768 1.00 0.00 O ATOM 417 CB LYS A 33 -4.435 16.906 -5.070 1.00 0.00 C ATOM 418 CG LYS A 33 -4.701 18.380 -4.818 1.00 0.00 C ATOM 419 CD LYS A 33 -5.967 18.846 -5.516 1.00 0.00 C ATOM 420 CE LYS A 33 -6.390 20.228 -5.041 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.725 20.613 -5.576 1.00 0.00 N ATOM 0 H LYS A 33 -4.445 16.667 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.416 16.193 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.412 16.674 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.509 16.710 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.790 18.556 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.853 18.969 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.804 18.865 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.770 18.134 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.417 20.245 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.648 20.963 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.978 21.561 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.693 20.621 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.438 19.926 -5.257 1.00 0.00 H new ATOM 435 N VAL A 34 -4.456 13.814 -3.742 1.00 0.00 N ATOM 436 CA VAL A 34 -4.105 12.415 -3.952 1.00 0.00 C ATOM 437 C VAL A 34 -5.324 11.513 -3.799 1.00 0.00 C ATOM 438 O VAL A 34 -5.714 11.161 -2.685 1.00 0.00 O ATOM 439 CB VAL A 34 -3.014 11.956 -2.966 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.787 10.456 -3.080 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.720 12.719 -3.211 1.00 0.00 C ATOM 0 H VAL A 34 -4.180 14.186 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.723 12.334 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.351 12.172 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.013 10.151 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.714 9.929 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.472 10.212 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.960 12.382 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.377 12.536 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.895 13.786 -3.074 1.00 0.00 H new ATOM 451 N LYS A 35 -5.923 11.141 -4.925 1.00 0.00 N ATOM 452 CA LYS A 35 -7.099 10.278 -4.918 1.00 0.00 C ATOM 453 C LYS A 35 -6.820 8.974 -5.658 1.00 0.00 C ATOM 454 O LYS A 35 -6.281 8.980 -6.764 1.00 0.00 O ATOM 455 CB LYS A 35 -8.288 10.997 -5.558 1.00 0.00 C ATOM 456 CG LYS A 35 -9.082 11.848 -4.583 1.00 0.00 C ATOM 457 CD LYS A 35 -8.546 13.269 -4.518 1.00 0.00 C ATOM 458 CE LYS A 35 -9.195 14.157 -5.568 1.00 0.00 C ATOM 459 NZ LYS A 35 -8.447 14.132 -6.856 1.00 0.00 N ATOM 0 H LYS A 35 -5.613 11.424 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.341 10.042 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.926 11.630 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.952 10.257 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.129 11.867 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.044 11.398 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.729 13.683 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.466 13.259 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.221 13.829 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.245 15.181 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.617 15.018 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.430 14.032 -6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.772 13.328 -7.431 1.00 0.00 H new ATOM 473 N ALA A 36 -7.193 7.857 -5.041 1.00 0.00 N ATOM 474 CA ALA A 36 -6.986 6.546 -5.643 1.00 0.00 C ATOM 475 C ALA A 36 -8.310 5.930 -6.084 1.00 0.00 C ATOM 476 O ALA A 36 -9.207 5.712 -5.268 1.00 0.00 O ATOM 477 CB ALA A 36 -6.271 5.624 -4.667 1.00 0.00 C ATOM 0 H ALA A 36 -7.640 7.834 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.362 6.674 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.123 4.648 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.303 6.052 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.874 5.510 -3.766 1.00 0.00 H new ATOM 483 N HIS A 37 -8.426 5.651 -7.378 1.00 0.00 N ATOM 484 CA HIS A 37 -9.641 5.059 -7.927 1.00 0.00 C ATOM 485 C HIS A 37 -9.307 3.894 -8.854 1.00 0.00 C ATOM 486 O HIS A 37 -8.450 4.011 -9.729 1.00 0.00 O ATOM 487 CB HIS A 37 -10.450 6.113 -8.683 1.00 0.00 C ATOM 488 CG HIS A 37 -9.621 6.961 -9.599 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.498 6.711 -10.949 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.873 8.061 -9.351 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.708 7.621 -11.492 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.316 8.452 -10.544 1.00 0.00 N ATOM 0 H HIS A 37 -7.694 5.825 -8.066 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.238 4.680 -7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.226 5.615 -9.265 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.955 6.757 -7.963 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.739 8.542 -8.393 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.430 7.675 -12.534 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.700 9.254 -10.676 1.00 0.00 H new ATOM 501 N GLY A 38 -9.990 2.771 -8.655 1.00 0.00 N ATOM 502 CA GLY A 38 -9.751 1.601 -9.480 1.00 0.00 C ATOM 503 C GLY A 38 -10.244 0.323 -8.832 1.00 0.00 C ATOM 504 O GLY A 38 -10.817 0.336 -7.742 1.00 0.00 O ATOM 0 H GLY A 38 -10.705 2.650 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.247 1.731 -10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.683 1.514 -9.681 1.00 0.00 H new ATOM 508 N PRO A 39 -10.023 -0.813 -9.510 1.00 0.00 N ATOM 509 CA PRO A 39 -10.443 -2.126 -9.012 1.00 0.00 C ATOM 510 C PRO A 39 -9.630 -2.575 -7.803 1.00 0.00 C ATOM 511 O PRO A 39 -10.187 -2.967 -6.778 1.00 0.00 O ATOM 512 CB PRO A 39 -10.188 -3.054 -10.202 1.00 0.00 C ATOM 513 CG PRO A 39 -9.117 -2.378 -10.987 1.00 0.00 C ATOM 514 CD PRO A 39 -9.346 -0.902 -10.814 1.00 0.00 C ATOM 0 HA PRO A 39 -11.478 -2.121 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.872 -4.044 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.090 -3.190 -10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.129 -2.665 -10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.167 -2.660 -12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.408 -0.347 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.962 -0.494 -11.615 1.00 0.00 H new ATOM 522 N GLY A 40 -8.307 -2.513 -7.928 1.00 0.00 N ATOM 523 CA GLY A 40 -7.439 -2.916 -6.837 1.00 0.00 C ATOM 524 C GLY A 40 -7.950 -2.451 -5.488 1.00 0.00 C ATOM 525 O GLY A 40 -7.672 -3.074 -4.462 1.00 0.00 O ATOM 0 H GLY A 40 -7.822 -2.191 -8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.347 -4.002 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.440 -2.512 -7.003 1.00 0.00 H new ATOM 529 N LEU A 41 -8.696 -1.352 -5.487 1.00 0.00 N ATOM 530 CA LEU A 41 -9.246 -0.803 -4.252 1.00 0.00 C ATOM 531 C LEU A 41 -10.499 -1.562 -3.828 1.00 0.00 C ATOM 532 O LEU A 41 -10.633 -1.959 -2.671 1.00 0.00 O ATOM 533 CB LEU A 41 -9.572 0.681 -4.432 1.00 0.00 C ATOM 534 CG LEU A 41 -8.456 1.547 -5.017 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.981 2.932 -5.364 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.291 1.645 -4.044 1.00 0.00 C ATOM 0 H LEU A 41 -8.934 -0.824 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.495 -0.913 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.446 0.765 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.852 1.091 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.099 1.076 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.173 3.534 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.782 2.844 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.365 3.412 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.506 2.265 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.633 2.092 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.898 0.648 -3.846 1.00 0.00 H new ATOM 548 N GLU A 42 -11.411 -1.763 -4.773 1.00 0.00 N ATOM 549 CA GLU A 42 -12.652 -2.477 -4.496 1.00 0.00 C ATOM 550 C GLU A 42 -12.373 -3.930 -4.124 1.00 0.00 C ATOM 551 O GLU A 42 -13.001 -4.484 -3.223 1.00 0.00 O ATOM 552 CB GLU A 42 -13.581 -2.420 -5.711 1.00 0.00 C ATOM 553 CG GLU A 42 -13.943 -1.007 -6.135 1.00 0.00 C ATOM 554 CD GLU A 42 -14.610 -0.218 -5.025 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.234 -0.846 -4.144 1.00 0.00 O ATOM 556 OE2 GLU A 42 -14.509 1.027 -5.037 1.00 0.00 O ATOM 0 H GLU A 42 -11.314 -1.442 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.140 -1.991 -3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.103 -2.930 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.496 -2.968 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.041 -0.485 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.609 -1.050 -6.997 1.00 0.00 H new ATOM 563 N GLY A 43 -11.424 -4.543 -4.825 1.00 0.00 N ATOM 564 CA GLY A 43 -11.077 -5.926 -4.555 1.00 0.00 C ATOM 565 C GLY A 43 -10.510 -6.630 -5.772 1.00 0.00 C ATOM 566 O GLY A 43 -10.044 -5.985 -6.710 1.00 0.00 O ATOM 0 H GLY A 43 -10.889 -4.106 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.348 -5.963 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.963 -6.459 -4.211 1.00 0.00 H new ATOM 570 N GLY A 44 -10.549 -7.959 -5.756 1.00 0.00 N ATOM 571 CA GLY A 44 -10.030 -8.730 -6.871 1.00 0.00 C ATOM 572 C GLY A 44 -10.214 -10.222 -6.680 1.00 0.00 C ATOM 573 O GLY A 44 -11.313 -10.686 -6.371 1.00 0.00 O ATOM 0 H GLY A 44 -10.931 -8.515 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.531 -8.420 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.970 -8.511 -6.998 1.00 0.00 H new ATOM 577 N LEU A 45 -9.138 -10.978 -6.865 1.00 0.00 N ATOM 578 CA LEU A 45 -9.185 -12.428 -6.713 1.00 0.00 C ATOM 579 C LEU A 45 -7.897 -12.952 -6.087 1.00 0.00 C ATOM 580 O LEU A 45 -6.831 -12.356 -6.244 1.00 0.00 O ATOM 581 CB LEU A 45 -9.415 -13.096 -8.070 1.00 0.00 C ATOM 582 CG LEU A 45 -10.755 -12.802 -8.745 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.687 -13.121 -10.230 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.872 -13.591 -8.078 1.00 0.00 C ATOM 0 H LEU A 45 -8.221 -10.611 -7.121 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.015 -12.672 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.616 -12.788 -8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.325 -14.175 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.971 -11.739 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.650 -12.905 -10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.915 -12.511 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.448 -14.176 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.819 -13.370 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.662 -14.658 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.937 -13.312 -7.026 1.00 0.00 H new ATOM 596 N VAL A 46 -8.002 -14.072 -5.379 1.00 0.00 N ATOM 597 CA VAL A 46 -6.845 -14.679 -4.732 1.00 0.00 C ATOM 598 C VAL A 46 -5.798 -15.098 -5.758 1.00 0.00 C ATOM 599 O VAL A 46 -6.132 -15.537 -6.857 1.00 0.00 O ATOM 600 CB VAL A 46 -7.249 -15.908 -3.897 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.027 -16.537 -3.245 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.283 -15.523 -2.849 1.00 0.00 C ATOM 0 H VAL A 46 -8.877 -14.577 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.420 -13.923 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.696 -16.646 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.333 -17.404 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.324 -16.850 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.548 -15.808 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.557 -16.403 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.864 -14.766 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.169 -15.123 -3.342 1.00 0.00 H new ATOM 612 N GLY A 47 -4.528 -14.958 -5.391 1.00 0.00 N ATOM 613 CA GLY A 47 -3.450 -15.327 -6.290 1.00 0.00 C ATOM 614 C GLY A 47 -3.534 -14.605 -7.621 1.00 0.00 C ATOM 615 O GLY A 47 -2.940 -15.038 -8.609 1.00 0.00 O ATOM 0 H GLY A 47 -4.226 -14.595 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.494 -15.102 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.476 -16.403 -6.461 1.00 0.00 H new ATOM 619 N LYS A 48 -4.274 -13.502 -7.649 1.00 0.00 N ATOM 620 CA LYS A 48 -4.435 -12.718 -8.867 1.00 0.00 C ATOM 621 C LYS A 48 -3.942 -11.289 -8.663 1.00 0.00 C ATOM 622 O LYS A 48 -4.062 -10.714 -7.581 1.00 0.00 O ATOM 623 CB LYS A 48 -5.902 -12.706 -9.301 1.00 0.00 C ATOM 624 CG LYS A 48 -6.354 -14.001 -9.954 1.00 0.00 C ATOM 625 CD LYS A 48 -6.135 -13.973 -11.458 1.00 0.00 C ATOM 626 CE LYS A 48 -6.553 -15.284 -12.107 1.00 0.00 C ATOM 627 NZ LYS A 48 -8.032 -15.452 -12.115 1.00 0.00 N ATOM 0 H LYS A 48 -4.772 -13.131 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.835 -13.182 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.528 -12.510 -8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.059 -11.883 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.807 -14.838 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.410 -14.167 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.704 -13.152 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.083 -13.780 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.178 -15.319 -13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.096 -16.116 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.279 -16.333 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.382 -15.496 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.470 -14.645 -12.604 1.00 0.00 H new ATOM 641 N PRO A 49 -3.377 -10.699 -9.727 1.00 0.00 N ATOM 642 CA PRO A 49 -2.858 -9.329 -9.690 1.00 0.00 C ATOM 643 C PRO A 49 -3.969 -8.291 -9.582 1.00 0.00 C ATOM 644 O PRO A 49 -4.937 -8.322 -10.342 1.00 0.00 O ATOM 645 CB PRO A 49 -2.125 -9.191 -11.027 1.00 0.00 C ATOM 646 CG PRO A 49 -2.789 -10.176 -11.926 1.00 0.00 C ATOM 647 CD PRO A 49 -3.202 -11.325 -11.049 1.00 0.00 C ATOM 0 HA PRO A 49 -2.223 -9.157 -8.821 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.207 -8.178 -11.421 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.062 -9.407 -10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.653 -9.732 -12.420 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.109 -10.509 -12.710 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.125 -11.787 -11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.443 -12.107 -11.026 1.00 0.00 H new ATOM 655 N ALA A 50 -3.823 -7.371 -8.634 1.00 0.00 N ATOM 656 CA ALA A 50 -4.814 -6.322 -8.428 1.00 0.00 C ATOM 657 C ALA A 50 -4.144 -4.970 -8.208 1.00 0.00 C ATOM 658 O ALA A 50 -3.355 -4.803 -7.279 1.00 0.00 O ATOM 659 CB ALA A 50 -5.712 -6.666 -7.249 1.00 0.00 C ATOM 0 H ALA A 50 -3.028 -7.331 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.426 -6.254 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.447 -5.873 -7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.226 -7.607 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.107 -6.765 -6.348 1.00 0.00 H new ATOM 665 N GLU A 51 -4.463 -4.008 -9.069 1.00 0.00 N ATOM 666 CA GLU A 51 -3.890 -2.672 -8.967 1.00 0.00 C ATOM 667 C GLU A 51 -4.965 -1.604 -9.142 1.00 0.00 C ATOM 668 O GLU A 51 -6.130 -1.914 -9.395 1.00 0.00 O ATOM 669 CB GLU A 51 -2.793 -2.482 -10.017 1.00 0.00 C ATOM 670 CG GLU A 51 -3.194 -2.947 -11.407 1.00 0.00 C ATOM 671 CD GLU A 51 -3.841 -1.846 -12.225 1.00 0.00 C ATOM 672 OE1 GLU A 51 -3.111 -0.948 -12.694 1.00 0.00 O ATOM 673 OE2 GLU A 51 -5.077 -1.883 -12.397 1.00 0.00 O ATOM 0 H GLU A 51 -5.115 -4.130 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.455 -2.566 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.522 -1.427 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.903 -3.027 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.312 -3.314 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.886 -3.785 -11.321 1.00 0.00 H new ATOM 680 N PHE A 52 -4.567 -0.343 -9.004 1.00 0.00 N ATOM 681 CA PHE A 52 -5.497 0.772 -9.144 1.00 0.00 C ATOM 682 C PHE A 52 -4.799 1.988 -9.746 1.00 0.00 C ATOM 683 O PHE A 52 -3.589 1.975 -9.976 1.00 0.00 O ATOM 684 CB PHE A 52 -6.099 1.136 -7.785 1.00 0.00 C ATOM 685 CG PHE A 52 -5.077 1.269 -6.693 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.473 0.146 -6.150 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.721 2.517 -6.208 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.531 0.266 -5.145 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.780 2.643 -5.203 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.185 1.516 -4.670 1.00 0.00 C ATOM 0 H PHE A 52 -3.607 -0.068 -8.795 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.297 0.464 -9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.644 2.075 -7.878 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.824 0.373 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.741 -0.834 -6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.184 3.402 -6.620 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.066 -0.617 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.510 3.622 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.451 1.612 -3.884 1.00 0.00 H new ATOM 700 N THR A 53 -5.572 3.040 -10.000 1.00 0.00 N ATOM 701 CA THR A 53 -5.030 4.265 -10.576 1.00 0.00 C ATOM 702 C THR A 53 -4.997 5.389 -9.548 1.00 0.00 C ATOM 703 O THR A 53 -6.035 5.793 -9.023 1.00 0.00 O ATOM 704 CB THR A 53 -5.853 4.723 -11.795 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.078 3.619 -12.678 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.138 5.839 -12.542 1.00 0.00 C ATOM 0 H THR A 53 -6.575 3.068 -9.816 1.00 0.00 H new ATOM 0 HA THR A 53 -4.013 4.041 -10.896 1.00 0.00 H new ATOM 0 HB THR A 53 -6.810 5.102 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.603 3.919 -13.449 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.738 6.146 -13.399 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.995 6.690 -11.876 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.168 5.482 -12.888 1.00 0.00 H new ATOM 714 N ILE A 54 -3.800 5.890 -9.265 1.00 0.00 N ATOM 715 CA ILE A 54 -3.633 6.970 -8.300 1.00 0.00 C ATOM 716 C ILE A 54 -3.399 8.303 -9.001 1.00 0.00 C ATOM 717 O ILE A 54 -2.572 8.402 -9.908 1.00 0.00 O ATOM 718 CB ILE A 54 -2.459 6.693 -7.343 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.713 5.412 -6.546 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.249 7.873 -6.406 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.573 5.037 -5.625 1.00 0.00 C ATOM 0 H ILE A 54 -2.931 5.566 -9.690 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.557 7.023 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.553 6.557 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.621 5.535 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.893 4.591 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.416 7.662 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.028 8.766 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.153 8.038 -5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.822 4.119 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.668 4.881 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.406 5.840 -4.907 1.00 0.00 H new ATOM 733 N ASP A 55 -4.130 9.327 -8.575 1.00 0.00 N ATOM 734 CA ASP A 55 -4.000 10.656 -9.160 1.00 0.00 C ATOM 735 C ASP A 55 -3.174 11.568 -8.259 1.00 0.00 C ATOM 736 O ASP A 55 -3.585 11.897 -7.145 1.00 0.00 O ATOM 737 CB ASP A 55 -5.381 11.269 -9.398 1.00 0.00 C ATOM 738 CG ASP A 55 -5.961 10.883 -10.745 1.00 0.00 C ATOM 739 OD1 ASP A 55 -5.869 9.693 -11.111 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.506 11.772 -11.433 1.00 0.00 O ATOM 0 H ASP A 55 -4.819 9.262 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.485 10.556 -10.116 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.059 10.947 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.309 12.355 -9.334 1.00 0.00 H new ATOM 745 N THR A 56 -2.006 11.974 -8.747 1.00 0.00 N ATOM 746 CA THR A 56 -1.120 12.846 -7.985 1.00 0.00 C ATOM 747 C THR A 56 -0.750 14.089 -8.786 1.00 0.00 C ATOM 748 O THR A 56 0.228 14.770 -8.478 1.00 0.00 O ATOM 749 CB THR A 56 0.170 12.113 -7.570 1.00 0.00 C ATOM 750 OG1 THR A 56 0.831 11.592 -8.728 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.139 10.980 -6.603 1.00 0.00 C ATOM 0 H THR A 56 -1.651 11.713 -9.667 1.00 0.00 H new ATOM 0 HA THR A 56 -1.664 13.143 -7.088 1.00 0.00 H new ATOM 0 HB THR A 56 0.824 12.828 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.325 11.836 -9.531 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.787 10.477 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.616 11.384 -5.710 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.810 10.266 -7.081 1.00 0.00 H new ATOM 759 N LYS A 57 -1.538 14.379 -9.816 1.00 0.00 N ATOM 760 CA LYS A 57 -1.295 15.542 -10.662 1.00 0.00 C ATOM 761 C LYS A 57 -1.633 16.833 -9.923 1.00 0.00 C ATOM 762 O LYS A 57 -2.783 17.064 -9.552 1.00 0.00 O ATOM 763 CB LYS A 57 -2.121 15.446 -11.946 1.00 0.00 C ATOM 764 CG LYS A 57 -3.621 15.469 -11.708 1.00 0.00 C ATOM 765 CD LYS A 57 -4.380 14.861 -12.875 1.00 0.00 C ATOM 766 CE LYS A 57 -4.216 13.350 -12.920 1.00 0.00 C ATOM 767 NZ LYS A 57 -3.040 12.943 -13.738 1.00 0.00 N ATOM 0 H LYS A 57 -2.351 13.824 -10.085 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.236 15.558 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.853 16.274 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.859 14.526 -12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.854 14.920 -10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.950 16.497 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.438 15.111 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.022 15.295 -13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.103 12.967 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.119 12.899 -13.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.320 12.190 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.691 13.762 -14.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.286 12.593 -13.113 1.00 0.00 H new ATOM 781 N GLY A 58 -0.623 17.672 -9.713 1.00 0.00 N ATOM 782 CA GLY A 58 -0.835 18.929 -9.020 1.00 0.00 C ATOM 783 C GLY A 58 -0.531 18.833 -7.538 1.00 0.00 C ATOM 784 O GLY A 58 -0.206 19.833 -6.898 1.00 0.00 O ATOM 0 H GLY A 58 0.338 17.503 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.205 19.698 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.869 19.245 -9.156 1.00 0.00 H new ATOM 788 N ALA A 59 -0.639 17.627 -6.991 1.00 0.00 N ATOM 789 CA ALA A 59 -0.374 17.404 -5.575 1.00 0.00 C ATOM 790 C ALA A 59 0.918 18.091 -5.144 1.00 0.00 C ATOM 791 O ALA A 59 0.943 18.825 -4.158 1.00 0.00 O ATOM 792 CB ALA A 59 -0.306 15.913 -5.279 1.00 0.00 C ATOM 0 H ALA A 59 -0.908 16.789 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.194 17.839 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.108 15.761 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.256 15.446 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.494 15.462 -5.866 1.00 0.00 H new ATOM 798 N GLY A 60 1.991 17.845 -5.890 1.00 0.00 N ATOM 799 CA GLY A 60 3.272 18.446 -5.569 1.00 0.00 C ATOM 800 C GLY A 60 4.414 17.453 -5.646 1.00 0.00 C ATOM 801 O GLY A 60 4.569 16.749 -6.644 1.00 0.00 O ATOM 0 H GLY A 60 1.996 17.240 -6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.465 19.271 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.230 18.869 -4.565 1.00 0.00 H new ATOM 805 N THR A 61 5.220 17.396 -4.590 1.00 0.00 N ATOM 806 CA THR A 61 6.356 16.484 -4.543 1.00 0.00 C ATOM 807 C THR A 61 6.640 16.033 -3.115 1.00 0.00 C ATOM 808 O THR A 61 6.703 16.848 -2.196 1.00 0.00 O ATOM 809 CB THR A 61 7.624 17.136 -5.125 1.00 0.00 C ATOM 810 OG1 THR A 61 7.356 17.644 -6.437 1.00 0.00 O ATOM 811 CG2 THR A 61 8.767 16.135 -5.187 1.00 0.00 C ATOM 0 H THR A 61 5.107 17.971 -3.755 1.00 0.00 H new ATOM 0 HA THR A 61 6.091 15.618 -5.149 1.00 0.00 H new ATOM 0 HB THR A 61 7.916 17.957 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.167 18.058 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.652 16.618 -5.601 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.988 15.773 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.482 15.296 -5.821 1.00 0.00 H new ATOM 819 N GLY A 62 6.812 14.726 -2.935 1.00 0.00 N ATOM 820 CA GLY A 62 7.088 14.189 -1.616 1.00 0.00 C ATOM 821 C GLY A 62 7.234 12.680 -1.623 1.00 0.00 C ATOM 822 O GLY A 62 7.581 12.088 -2.643 1.00 0.00 O ATOM 0 H GLY A 62 6.765 14.030 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.003 14.638 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.283 14.470 -0.937 1.00 0.00 H new ATOM 826 N GLY A 63 6.969 12.056 -0.479 1.00 0.00 N ATOM 827 CA GLY A 63 7.080 10.613 -0.379 1.00 0.00 C ATOM 828 C GLY A 63 5.768 9.955 0.000 1.00 0.00 C ATOM 829 O GLY A 63 5.203 10.241 1.057 1.00 0.00 O ATOM 0 H GLY A 63 6.680 12.524 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.422 10.211 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.837 10.361 0.363 1.00 0.00 H new ATOM 833 N LEU A 64 5.279 9.073 -0.865 1.00 0.00 N ATOM 834 CA LEU A 64 4.023 8.373 -0.616 1.00 0.00 C ATOM 835 C LEU A 64 4.276 7.000 -0.003 1.00 0.00 C ATOM 836 O LEU A 64 5.129 6.247 -0.472 1.00 0.00 O ATOM 837 CB LEU A 64 3.233 8.225 -1.918 1.00 0.00 C ATOM 838 CG LEU A 64 1.825 7.644 -1.786 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.837 8.726 -1.379 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.394 6.989 -3.090 1.00 0.00 C ATOM 0 H LEU A 64 5.733 8.826 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 64 3.441 8.964 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.157 9.206 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.804 7.591 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 64 1.839 6.882 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.160 8.294 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.136 9.150 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.826 9.511 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.390 6.581 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.397 7.731 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.086 6.185 -3.340 1.00 0.00 H new ATOM 852 N GLY A 65 3.527 6.679 1.048 1.00 0.00 N ATOM 853 CA GLY A 65 3.685 5.396 1.707 1.00 0.00 C ATOM 854 C GLY A 65 2.481 4.495 1.516 1.00 0.00 C ATOM 855 O GLY A 65 1.352 4.880 1.825 1.00 0.00 O ATOM 0 H GLY A 65 2.814 7.285 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.573 4.898 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.850 5.556 2.772 1.00 0.00 H new ATOM 859 N LEU A 66 2.719 3.292 1.006 1.00 0.00 N ATOM 860 CA LEU A 66 1.645 2.333 0.772 1.00 0.00 C ATOM 861 C LEU A 66 1.886 1.044 1.552 1.00 0.00 C ATOM 862 O LEU A 66 2.864 0.335 1.312 1.00 0.00 O ATOM 863 CB LEU A 66 1.525 2.025 -0.721 1.00 0.00 C ATOM 864 CG LEU A 66 0.199 1.414 -1.176 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.824 2.505 -1.453 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.406 0.549 -2.410 1.00 0.00 C ATOM 0 H LEU A 66 3.647 2.957 0.746 1.00 0.00 H new ATOM 0 HA LEU A 66 0.713 2.777 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.686 2.949 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.330 1.343 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.182 0.782 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.761 2.052 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.994 3.083 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.451 3.163 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.548 0.122 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.810 1.159 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.105 -0.255 -2.178 1.00 0.00 H new ATOM 878 N THR A 67 0.988 0.745 2.485 1.00 0.00 N ATOM 879 CA THR A 67 1.102 -0.458 3.299 1.00 0.00 C ATOM 880 C THR A 67 -0.222 -1.212 3.355 1.00 0.00 C ATOM 881 O THR A 67 -1.259 -0.641 3.692 1.00 0.00 O ATOM 882 CB THR A 67 1.552 -0.125 4.734 1.00 0.00 C ATOM 883 OG1 THR A 67 0.787 0.972 5.245 1.00 0.00 O ATOM 884 CG2 THR A 67 3.033 0.222 4.770 1.00 0.00 C ATOM 0 H THR A 67 0.173 1.321 2.696 1.00 0.00 H new ATOM 0 HA THR A 67 1.856 -1.088 2.827 1.00 0.00 H new ATOM 0 HB THR A 67 1.386 -1.004 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.076 0.632 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.328 0.453 5.794 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.614 -0.626 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.219 1.088 4.134 1.00 0.00 H new ATOM 892 N VAL A 68 -0.180 -2.498 3.024 1.00 0.00 N ATOM 893 CA VAL A 68 -1.376 -3.331 3.039 1.00 0.00 C ATOM 894 C VAL A 68 -1.623 -3.914 4.426 1.00 0.00 C ATOM 895 O VAL A 68 -0.968 -4.873 4.832 1.00 0.00 O ATOM 896 CB VAL A 68 -1.271 -4.483 2.021 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.464 -5.418 2.149 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.162 -3.935 0.607 1.00 0.00 C ATOM 0 H VAL A 68 0.670 -2.986 2.742 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.212 -2.688 2.764 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.368 -5.054 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.373 -6.225 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.492 -5.837 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.383 -4.863 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.089 -4.762 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.046 -3.340 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.273 -3.310 0.527 1.00 0.00 H new ATOM 908 N GLU A 69 -2.573 -3.327 5.148 1.00 0.00 N ATOM 909 CA GLU A 69 -2.906 -3.788 6.490 1.00 0.00 C ATOM 910 C GLU A 69 -3.993 -4.858 6.444 1.00 0.00 C ATOM 911 O GLU A 69 -5.115 -4.638 6.898 1.00 0.00 O ATOM 912 CB GLU A 69 -3.366 -2.615 7.357 1.00 0.00 C ATOM 913 CG GLU A 69 -2.246 -1.660 7.734 1.00 0.00 C ATOM 914 CD GLU A 69 -1.277 -2.262 8.733 1.00 0.00 C ATOM 915 OE1 GLU A 69 -1.599 -2.275 9.939 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.196 -2.720 8.307 1.00 0.00 O ATOM 0 H GLU A 69 -3.125 -2.532 4.826 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.009 -4.225 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.140 -2.062 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.822 -3.004 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.702 -1.371 6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.675 -0.750 8.153 1.00 0.00 H new ATOM 923 N GLY A 70 -3.651 -6.018 5.890 1.00 0.00 N ATOM 924 CA GLY A 70 -4.608 -7.104 5.794 1.00 0.00 C ATOM 925 C GLY A 70 -4.329 -8.213 6.789 1.00 0.00 C ATOM 926 O GLY A 70 -3.398 -8.136 7.591 1.00 0.00 O ATOM 0 H GLY A 70 -2.729 -6.224 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.612 -6.715 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.588 -7.513 4.784 1.00 0.00 H new ATOM 930 N PRO A 71 -5.151 -9.272 6.747 1.00 0.00 N ATOM 931 CA PRO A 71 -5.008 -10.421 7.646 1.00 0.00 C ATOM 932 C PRO A 71 -3.766 -11.249 7.337 1.00 0.00 C ATOM 933 O PRO A 71 -3.422 -12.170 8.079 1.00 0.00 O ATOM 934 CB PRO A 71 -6.275 -11.239 7.380 1.00 0.00 C ATOM 935 CG PRO A 71 -6.680 -10.869 5.995 1.00 0.00 C ATOM 936 CD PRO A 71 -6.281 -9.431 5.816 1.00 0.00 C ATOM 0 HA PRO A 71 -4.892 -10.113 8.685 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.081 -12.308 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.059 -11.000 8.099 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.186 -11.505 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.754 -10.996 5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.987 -9.221 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.100 -8.754 6.058 1.00 0.00 H new ATOM 944 N CYS A 72 -3.096 -10.914 6.240 1.00 0.00 N ATOM 945 CA CYS A 72 -1.890 -11.628 5.833 1.00 0.00 C ATOM 946 C CYS A 72 -0.933 -10.700 5.092 1.00 0.00 C ATOM 947 O CYS A 72 -1.330 -9.637 4.614 1.00 0.00 O ATOM 948 CB CYS A 72 -2.253 -12.820 4.947 1.00 0.00 C ATOM 949 SG CYS A 72 -0.824 -13.710 4.285 1.00 0.00 S ATOM 0 H CYS A 72 -3.367 -10.153 5.617 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.391 -11.991 6.732 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.865 -13.514 5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.865 -12.469 4.117 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.056 -14.989 4.318 1.00 0.00 H new ATOM 955 N GLU A 73 0.328 -11.109 5.000 1.00 0.00 N ATOM 956 CA GLU A 73 1.341 -10.312 4.319 1.00 0.00 C ATOM 957 C GLU A 73 1.328 -10.584 2.817 1.00 0.00 C ATOM 958 O GLU A 73 1.796 -11.626 2.360 1.00 0.00 O ATOM 959 CB GLU A 73 2.729 -10.614 4.890 1.00 0.00 C ATOM 960 CG GLU A 73 3.831 -9.750 4.300 1.00 0.00 C ATOM 961 CD GLU A 73 5.217 -10.268 4.629 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.461 -11.477 4.435 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.058 -9.464 5.082 1.00 0.00 O ATOM 0 H GLU A 73 0.672 -11.987 5.388 1.00 0.00 H new ATOM 0 HA GLU A 73 1.109 -9.260 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.707 -10.472 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.966 -11.663 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.712 -9.704 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.729 -8.732 4.675 1.00 0.00 H new ATOM 970 N ALA A 74 0.788 -9.638 2.056 1.00 0.00 N ATOM 971 CA ALA A 74 0.714 -9.774 0.606 1.00 0.00 C ATOM 972 C ALA A 74 1.749 -8.890 -0.081 1.00 0.00 C ATOM 973 O ALA A 74 1.945 -7.735 0.297 1.00 0.00 O ATOM 974 CB ALA A 74 -0.685 -9.431 0.115 1.00 0.00 C ATOM 0 H ALA A 74 0.395 -8.769 2.419 1.00 0.00 H new ATOM 0 HA ALA A 74 0.933 -10.811 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.726 -9.537 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.407 -10.107 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.925 -8.404 0.389 1.00 0.00 H new ATOM 980 N LYS A 75 2.411 -9.441 -1.093 1.00 0.00 N ATOM 981 CA LYS A 75 3.427 -8.703 -1.835 1.00 0.00 C ATOM 982 C LYS A 75 2.832 -7.455 -2.478 1.00 0.00 C ATOM 983 O LYS A 75 1.652 -7.429 -2.829 1.00 0.00 O ATOM 984 CB LYS A 75 4.052 -9.595 -2.910 1.00 0.00 C ATOM 985 CG LYS A 75 5.495 -9.245 -3.228 1.00 0.00 C ATOM 986 CD LYS A 75 6.037 -10.094 -4.366 1.00 0.00 C ATOM 987 CE LYS A 75 6.316 -11.519 -3.914 1.00 0.00 C ATOM 988 NZ LYS A 75 7.708 -11.678 -3.408 1.00 0.00 N ATOM 0 H LYS A 75 2.262 -10.396 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 75 4.201 -8.394 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.003 -10.633 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.459 -9.520 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.564 -8.190 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.110 -9.390 -2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.320 -10.105 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.954 -9.647 -4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.611 -11.796 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.152 -12.203 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.859 -12.663 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.381 -11.438 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.857 -11.044 -2.597 1.00 0.00 H new ATOM 1002 N ILE A 76 3.656 -6.424 -2.631 1.00 0.00 N ATOM 1003 CA ILE A 76 3.211 -5.174 -3.235 1.00 0.00 C ATOM 1004 C ILE A 76 4.234 -4.652 -4.238 1.00 0.00 C ATOM 1005 O ILE A 76 5.399 -4.445 -3.899 1.00 0.00 O ATOM 1006 CB ILE A 76 2.957 -4.092 -2.168 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.999 -4.617 -1.097 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.399 -2.833 -2.814 1.00 0.00 C ATOM 1009 CD1 ILE A 76 1.929 -3.739 0.133 1.00 0.00 C ATOM 0 H ILE A 76 4.635 -6.429 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 76 2.276 -5.390 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 76 3.905 -3.843 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.001 -4.708 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.311 -5.619 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.225 -2.078 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.113 -2.451 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.459 -3.067 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.231 -4.172 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.918 -3.668 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.588 -2.743 -0.150 1.00 0.00 H new ATOM 1021 N GLU A 77 3.790 -4.441 -5.473 1.00 0.00 N ATOM 1022 CA GLU A 77 4.669 -3.942 -6.525 1.00 0.00 C ATOM 1023 C GLU A 77 4.238 -2.551 -6.979 1.00 0.00 C ATOM 1024 O GLU A 77 3.243 -2.398 -7.689 1.00 0.00 O ATOM 1025 CB GLU A 77 4.670 -4.902 -7.716 1.00 0.00 C ATOM 1026 CG GLU A 77 5.693 -6.019 -7.597 1.00 0.00 C ATOM 1027 CD GLU A 77 5.863 -6.795 -8.889 1.00 0.00 C ATOM 1028 OE1 GLU A 77 4.838 -7.128 -9.520 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.020 -7.070 -9.269 1.00 0.00 O ATOM 0 H GLU A 77 2.828 -4.607 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 77 5.679 -3.876 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.677 -5.340 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.866 -4.337 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.654 -5.597 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.388 -6.703 -6.804 1.00 0.00 H new ATOM 1036 N CYS A 78 4.993 -1.540 -6.564 1.00 0.00 N ATOM 1037 CA CYS A 78 4.689 -0.160 -6.926 1.00 0.00 C ATOM 1038 C CYS A 78 5.594 0.317 -8.058 1.00 0.00 C ATOM 1039 O CYS A 78 6.813 0.382 -7.905 1.00 0.00 O ATOM 1040 CB CYS A 78 4.847 0.755 -5.711 1.00 0.00 C ATOM 1041 SG CYS A 78 6.518 0.786 -5.022 1.00 0.00 S ATOM 0 H CYS A 78 5.820 -1.650 -5.977 1.00 0.00 H new ATOM 0 HA CYS A 78 3.655 -0.120 -7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.563 1.769 -5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.152 0.434 -4.935 1.00 0.00 H new ATOM 0 HG CYS A 78 7.385 0.642 -5.980 1.00 0.00 H new ATOM 1047 N SER A 79 4.988 0.647 -9.194 1.00 0.00 N ATOM 1048 CA SER A 79 5.739 1.112 -10.354 1.00 0.00 C ATOM 1049 C SER A 79 5.090 2.353 -10.960 1.00 0.00 C ATOM 1050 O SER A 79 3.936 2.318 -11.386 1.00 0.00 O ATOM 1051 CB SER A 79 5.830 0.006 -11.406 1.00 0.00 C ATOM 1052 OG SER A 79 6.748 0.350 -12.430 1.00 0.00 O ATOM 0 H SER A 79 3.979 0.601 -9.336 1.00 0.00 H new ATOM 0 HA SER A 79 6.744 1.373 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.141 -0.926 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.846 -0.170 -11.840 1.00 0.00 H new ATOM 0 HG SER A 79 6.789 -0.374 -13.089 1.00 0.00 H new ATOM 1058 N ASP A 80 5.840 3.449 -10.993 1.00 0.00 N ATOM 1059 CA ASP A 80 5.340 4.701 -11.547 1.00 0.00 C ATOM 1060 C ASP A 80 5.068 4.565 -13.042 1.00 0.00 C ATOM 1061 O ASP A 80 5.703 3.764 -13.727 1.00 0.00 O ATOM 1062 CB ASP A 80 6.343 5.830 -11.300 1.00 0.00 C ATOM 1063 CG ASP A 80 6.590 6.071 -9.823 1.00 0.00 C ATOM 1064 OD1 ASP A 80 5.682 5.784 -9.015 1.00 0.00 O ATOM 1065 OD2 ASP A 80 7.691 6.547 -9.477 1.00 0.00 O ATOM 0 H ASP A 80 6.797 3.495 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 80 4.402 4.941 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.287 5.587 -11.789 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.973 6.747 -11.758 1.00 0.00 H new ATOM 1070 N ASN A 81 4.119 5.351 -13.540 1.00 0.00 N ATOM 1071 CA ASN A 81 3.762 5.316 -14.954 1.00 0.00 C ATOM 1072 C ASN A 81 4.636 6.272 -15.759 1.00 0.00 C ATOM 1073 O ASN A 81 5.150 5.916 -16.819 1.00 0.00 O ATOM 1074 CB ASN A 81 2.287 5.678 -15.137 1.00 0.00 C ATOM 1075 CG ASN A 81 1.367 4.781 -14.332 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.303 5.019 -13.027 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 0.721 3.886 -14.876 1.00 0.00 N flip ATOM 0 H ASN A 81 3.584 6.019 -12.986 1.00 0.00 H new ATOM 0 HA ASN A 81 3.929 4.303 -15.321 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.131 6.715 -14.839 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.027 5.607 -16.193 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.801 3.739 -15.882 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.106 3.291 -14.321 1.00 0.00 H new ATOM 1084 N GLY A 82 4.801 7.488 -15.248 1.00 0.00 N ATOM 1085 CA GLY A 82 5.614 8.477 -15.932 1.00 0.00 C ATOM 1086 C GLY A 82 4.792 9.632 -16.469 1.00 0.00 C ATOM 1087 O GLY A 82 5.342 10.640 -16.914 1.00 0.00 O ATOM 0 H GLY A 82 4.386 7.806 -14.372 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.369 8.860 -15.245 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.145 8.000 -16.755 1.00 0.00 H new ATOM 1091 N ASP A 83 3.472 9.485 -16.430 1.00 0.00 N ATOM 1092 CA ASP A 83 2.573 10.524 -16.918 1.00 0.00 C ATOM 1093 C ASP A 83 2.087 11.404 -15.770 1.00 0.00 C ATOM 1094 O ASP A 83 1.511 12.469 -15.992 1.00 0.00 O ATOM 1095 CB ASP A 83 1.378 9.898 -17.638 1.00 0.00 C ATOM 1096 CG ASP A 83 1.634 9.697 -19.118 1.00 0.00 C ATOM 1097 OD1 ASP A 83 2.052 10.666 -19.785 1.00 0.00 O ATOM 1098 OD2 ASP A 83 1.417 8.570 -19.610 1.00 0.00 O ATOM 0 H ASP A 83 3.001 8.657 -16.066 1.00 0.00 H new ATOM 0 HA ASP A 83 3.125 11.147 -17.622 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.144 8.937 -17.179 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.504 10.536 -17.507 1.00 0.00 H new ATOM 1103 N GLY A 84 2.323 10.951 -14.543 1.00 0.00 N ATOM 1104 CA GLY A 84 1.902 11.709 -13.379 1.00 0.00 C ATOM 1105 C GLY A 84 1.059 10.886 -12.424 1.00 0.00 C ATOM 1106 O GLY A 84 0.474 11.419 -11.481 1.00 0.00 O ATOM 0 H GLY A 84 2.798 10.073 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.782 12.081 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.332 12.580 -13.703 1.00 0.00 H new ATOM 1110 N THR A 85 0.995 9.581 -12.669 1.00 0.00 N ATOM 1111 CA THR A 85 0.216 8.682 -11.827 1.00 0.00 C ATOM 1112 C THR A 85 1.053 7.493 -11.369 1.00 0.00 C ATOM 1113 O THR A 85 2.224 7.370 -11.733 1.00 0.00 O ATOM 1114 CB THR A 85 -1.033 8.163 -12.564 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.669 7.676 -13.861 1.00 0.00 O ATOM 1116 CG2 THR A 85 -2.075 9.262 -12.703 1.00 0.00 C ATOM 0 H THR A 85 1.474 9.123 -13.444 1.00 0.00 H new ATOM 0 HA THR A 85 -0.098 9.258 -10.956 1.00 0.00 H new ATOM 0 HB THR A 85 -1.462 7.350 -11.978 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.468 7.346 -14.323 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.948 8.872 -13.227 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.371 9.610 -11.713 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.654 10.093 -13.269 1.00 0.00 H new ATOM 1124 N CYS A 86 0.447 6.621 -10.572 1.00 0.00 N ATOM 1125 CA CYS A 86 1.138 5.441 -10.065 1.00 0.00 C ATOM 1126 C CYS A 86 0.279 4.192 -10.237 1.00 0.00 C ATOM 1127 O CYS A 86 -0.949 4.262 -10.203 1.00 0.00 O ATOM 1128 CB CYS A 86 1.496 5.628 -8.590 1.00 0.00 C ATOM 1129 SG CYS A 86 2.756 6.890 -8.290 1.00 0.00 S ATOM 0 H CYS A 86 -0.521 6.708 -10.263 1.00 0.00 H new ATOM 0 HA CYS A 86 2.055 5.312 -10.641 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.594 5.893 -8.039 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.847 4.677 -8.189 1.00 0.00 H new ATOM 0 HG CYS A 86 3.925 6.421 -8.610 1.00 0.00 H new ATOM 1135 N SER A 87 0.934 3.051 -10.425 1.00 0.00 N ATOM 1136 CA SER A 87 0.231 1.787 -10.609 1.00 0.00 C ATOM 1137 C SER A 87 0.797 0.711 -9.687 1.00 0.00 C ATOM 1138 O SER A 87 1.789 0.058 -10.011 1.00 0.00 O ATOM 1139 CB SER A 87 0.331 1.330 -12.065 1.00 0.00 C ATOM 1140 OG SER A 87 -0.395 0.132 -12.275 1.00 0.00 O ATOM 0 H SER A 87 1.951 2.976 -10.454 1.00 0.00 H new ATOM 0 HA SER A 87 -0.818 1.943 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.053 2.111 -12.722 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.377 1.176 -12.330 1.00 0.00 H new ATOM 0 HG SER A 87 -1.351 0.336 -12.342 1.00 0.00 H new ATOM 1146 N VAL A 88 0.158 0.531 -8.535 1.00 0.00 N ATOM 1147 CA VAL A 88 0.596 -0.466 -7.565 1.00 0.00 C ATOM 1148 C VAL A 88 -0.201 -1.758 -7.707 1.00 0.00 C ATOM 1149 O VAL A 88 -1.426 -1.761 -7.581 1.00 0.00 O ATOM 1150 CB VAL A 88 0.455 0.055 -6.123 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.929 -0.993 -5.128 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.226 1.355 -5.948 1.00 0.00 C ATOM 0 H VAL A 88 -0.665 1.063 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 88 1.648 -0.667 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.599 0.255 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.822 -0.607 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.329 -1.896 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.976 -1.228 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.115 1.709 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.281 1.184 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.835 2.105 -6.635 1.00 0.00 H new ATOM 1162 N SER A 89 0.502 -2.854 -7.971 1.00 0.00 N ATOM 1163 CA SER A 89 -0.140 -4.153 -8.133 1.00 0.00 C ATOM 1164 C SER A 89 0.272 -5.107 -7.015 1.00 0.00 C ATOM 1165 O SER A 89 1.455 -5.238 -6.701 1.00 0.00 O ATOM 1166 CB SER A 89 0.221 -4.757 -9.492 1.00 0.00 C ATOM 1167 OG SER A 89 1.624 -4.773 -9.687 1.00 0.00 O ATOM 0 H SER A 89 1.516 -2.869 -8.077 1.00 0.00 H new ATOM 0 HA SER A 89 -1.219 -4.006 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.170 -5.772 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.253 -4.181 -10.287 1.00 0.00 H new ATOM 0 HG SER A 89 1.828 -5.165 -10.562 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.714 -5.769 -6.419 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.456 -6.708 -5.334 1.00 0.00 C ATOM 1175 C TYR A 90 -1.073 -8.070 -5.635 1.00 0.00 C ATOM 1176 O TYR A 90 -2.009 -8.180 -6.428 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.012 -6.163 -4.017 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.521 -6.072 -3.989 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.178 -4.955 -4.490 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.289 -7.101 -3.460 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.556 -4.866 -4.465 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.668 -7.022 -3.433 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.297 -5.902 -3.936 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.670 -5.819 -3.910 1.00 0.00 O ATOM 0 H TYR A 90 -1.698 -5.673 -6.669 1.00 0.00 H new ATOM 0 HA TYR A 90 0.623 -6.831 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.680 -6.803 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.593 -5.173 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.601 -4.142 -4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.800 -7.978 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.051 -3.990 -4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.250 -7.833 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.946 -4.897 -4.096 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.543 -9.107 -4.996 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.041 -10.464 -5.193 1.00 0.00 C ATOM 1196 C LEU A 91 -1.325 -11.140 -3.855 1.00 0.00 C ATOM 1197 O LEU A 91 -0.417 -11.578 -3.148 1.00 0.00 O ATOM 1198 CB LEU A 91 -0.029 -11.289 -5.989 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.202 -11.280 -7.509 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.140 -11.456 -8.200 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -1.174 -12.368 -7.941 1.00 0.00 C ATOM 0 H LEU A 91 0.232 -9.034 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.974 -10.404 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.971 -10.924 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.080 -12.322 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.614 -10.315 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.997 -11.447 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.805 -10.641 -7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.582 -12.406 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.285 -12.347 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.791 -13.341 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.144 -12.196 -7.474 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.615 -11.228 -3.499 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.048 -11.852 -2.245 1.00 0.00 C ATOM 1215 C PRO A 92 -2.844 -13.363 -2.248 1.00 0.00 C ATOM 1216 O PRO A 92 -2.523 -13.955 -3.279 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.540 -11.515 -2.178 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.947 -11.314 -3.597 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.749 -10.727 -4.292 1.00 0.00 C ATOM 0 HA PRO A 92 -2.476 -11.490 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.108 -12.322 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.717 -10.618 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.241 -12.258 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.805 -10.645 -3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.688 -11.052 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.783 -9.638 -4.300 1.00 0.00 H new ATOM 1227 N THR A 93 -3.031 -13.984 -1.088 1.00 0.00 N ATOM 1228 CA THR A 93 -2.867 -15.426 -0.957 1.00 0.00 C ATOM 1229 C THR A 93 -4.200 -16.109 -0.675 1.00 0.00 C ATOM 1230 O THR A 93 -4.461 -17.210 -1.159 1.00 0.00 O ATOM 1231 CB THR A 93 -1.875 -15.778 0.168 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.710 -17.198 0.249 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.362 -15.243 1.506 1.00 0.00 C ATOM 0 H THR A 93 -3.296 -13.510 -0.225 1.00 0.00 H new ATOM 0 HA THR A 93 -2.472 -15.786 -1.907 1.00 0.00 H new ATOM 0 HB THR A 93 -0.917 -15.313 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.077 -17.413 0.965 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.645 -15.504 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.459 -14.159 1.451 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.331 -15.683 1.743 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.043 -15.448 0.111 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.352 -15.989 0.457 1.00 0.00 C ATOM 1243 C LYS A 94 -7.420 -14.900 0.414 1.00 0.00 C ATOM 1244 O LYS A 94 -7.136 -13.713 0.568 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.313 -16.625 1.848 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.688 -15.733 2.907 1.00 0.00 C ATOM 1247 CD LYS A 94 -6.524 -14.488 3.152 1.00 0.00 C ATOM 1248 CE LYS A 94 -6.456 -14.049 4.607 1.00 0.00 C ATOM 1249 NZ LYS A 94 -5.066 -13.708 5.019 1.00 0.00 N ATOM 0 H LYS A 94 -4.843 -14.536 0.521 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.607 -16.753 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.329 -16.878 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.754 -17.559 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.583 -16.291 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.685 -15.443 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.172 -13.680 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.561 -14.685 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.102 -13.183 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.839 -14.846 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.051 -13.479 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.441 -14.519 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.734 -12.887 4.474 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.678 -15.313 0.199 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.814 -14.388 0.133 1.00 0.00 C ATOM 1265 C PRO A 95 -10.142 -13.774 1.490 1.00 0.00 C ATOM 1266 O PRO A 95 -10.283 -14.484 2.485 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.966 -15.275 -0.345 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.590 -16.650 0.086 1.00 0.00 C ATOM 1269 CD PRO A 95 -9.090 -16.713 0.006 1.00 0.00 C ATOM 0 HA PRO A 95 -9.611 -13.540 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.913 -14.967 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.087 -15.218 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.935 -16.849 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.047 -17.400 -0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.674 -17.364 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.755 -17.101 -0.956 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.262 -12.450 1.523 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.572 -11.764 2.763 1.00 0.00 C ATOM 1279 C GLY A 96 -10.765 -10.273 2.568 1.00 0.00 C ATOM 1280 O GLY A 96 -11.588 -9.849 1.758 1.00 0.00 O ATOM 0 H GLY A 96 -10.150 -11.841 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.477 -12.191 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.768 -11.933 3.479 1.00 0.00 H new ATOM 1284 N GLU A 97 -10.006 -9.477 3.315 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.101 -8.025 3.221 1.00 0.00 C ATOM 1286 C GLU A 97 -8.738 -7.376 3.444 1.00 0.00 C ATOM 1287 O GLU A 97 -8.068 -7.640 4.443 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.106 -7.490 4.243 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.555 -7.685 3.831 1.00 0.00 C ATOM 1290 CD GLU A 97 -13.486 -7.825 5.020 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -13.009 -8.216 6.105 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -14.693 -7.544 4.864 1.00 0.00 O ATOM 0 H GLU A 97 -9.320 -9.813 3.991 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.445 -7.773 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.939 -7.987 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.921 -6.427 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.873 -6.838 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.634 -8.574 3.205 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.333 -6.526 2.507 1.00 0.00 N ATOM 1300 CA TYR A 98 -7.050 -5.841 2.598 1.00 0.00 C ATOM 1301 C TYR A 98 -7.241 -4.328 2.630 1.00 0.00 C ATOM 1302 O TYR A 98 -7.912 -3.757 1.771 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.156 -6.229 1.419 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.746 -7.684 1.422 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.557 -8.655 0.847 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.549 -8.088 2.001 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.187 -9.986 0.848 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.171 -9.416 2.005 1.00 0.00 C ATOM 1309 CZ TYR A 98 -4.993 -10.362 1.428 1.00 0.00 C ATOM 1310 OH TYR A 98 -4.620 -11.687 1.432 1.00 0.00 O ATOM 0 H TYR A 98 -8.876 -6.295 1.675 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.568 -6.148 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.681 -6.010 0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.260 -5.608 1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.492 -8.364 0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.904 -7.351 2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.829 -10.728 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.236 -9.713 2.458 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.753 -11.781 1.878 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.645 -3.684 3.629 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.748 -2.237 3.775 1.00 0.00 C ATOM 1322 C PHE A 99 -5.490 -1.547 3.257 1.00 0.00 C ATOM 1323 O PHE A 99 -4.430 -1.616 3.878 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.980 -1.867 5.242 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.326 -2.286 5.761 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.689 -3.623 5.781 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.227 -1.343 6.228 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.927 -4.011 6.258 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.466 -1.726 6.706 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.816 -3.062 6.722 1.00 0.00 C ATOM 0 H PHE A 99 -6.086 -4.142 4.349 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.597 -1.896 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.204 -2.330 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.875 -0.788 5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.997 -4.370 5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.958 -0.297 6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.199 -5.056 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.160 -0.981 7.067 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.783 -3.364 7.097 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.617 -0.880 2.114 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.491 -0.176 1.511 1.00 0.00 C ATOM 1342 C VAL A 100 -4.295 1.195 2.148 1.00 0.00 C ATOM 1343 O VAL A 100 -5.084 2.112 1.926 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.686 -0.001 -0.007 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.445 0.611 -0.638 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.023 -1.335 -0.657 1.00 0.00 C ATOM 0 H VAL A 100 -6.488 -0.812 1.587 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.605 -0.786 1.688 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.521 0.680 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.602 0.727 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.253 1.587 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.589 -0.042 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.158 -1.194 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.210 -2.040 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.943 -1.728 -0.225 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.238 1.327 2.942 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.937 2.587 3.612 1.00 0.00 C ATOM 1358 C ASN A 101 -2.217 3.547 2.670 1.00 0.00 C ATOM 1359 O ASN A 101 -1.082 3.297 2.263 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.081 2.336 4.855 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.820 1.544 5.916 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.033 0.259 5.654 1.00 0.00 O flip ATOM 1363 ND2 ASN A 101 -3.195 2.080 6.959 1.00 0.00 N flip ATOM 0 H ASN A 101 -2.575 0.577 3.137 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.880 3.043 3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.177 1.798 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.764 3.291 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.010 3.070 7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.691 1.534 7.663 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.884 4.644 2.329 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.307 5.641 1.437 1.00 0.00 C ATOM 1372 C ILE A 102 -2.055 6.955 2.169 1.00 0.00 C ATOM 1373 O ILE A 102 -2.994 7.653 2.555 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.220 5.909 0.226 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.500 4.607 -0.527 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.585 6.936 -0.700 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.522 4.755 -1.632 1.00 0.00 C ATOM 0 H ILE A 102 -3.824 4.865 2.657 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.358 5.236 1.085 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.167 6.310 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.568 4.236 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.849 3.855 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.242 7.114 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.432 7.869 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.625 6.561 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.670 3.793 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.467 5.097 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.166 5.483 -2.361 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.783 7.287 2.357 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.407 8.519 3.042 1.00 0.00 C ATOM 1391 C LEU A 103 0.670 9.268 2.263 1.00 0.00 C ATOM 1392 O LEU A 103 1.679 8.687 1.862 1.00 0.00 O ATOM 1393 CB LEU A 103 0.092 8.208 4.454 1.00 0.00 C ATOM 1394 CG LEU A 103 0.759 6.846 4.646 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.239 6.923 4.303 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.565 6.353 6.072 1.00 0.00 C ATOM 0 H LEU A 103 0.006 6.721 2.045 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.290 9.154 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.802 8.982 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.753 8.276 5.139 1.00 0.00 H new ATOM 0 HG LEU A 103 0.287 6.133 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.697 5.944 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.356 7.230 3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.726 7.650 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.046 5.382 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.010 7.065 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.500 6.258 6.282 1.00 0.00 H new ATOM 1408 N PHE A 104 0.450 10.562 2.055 1.00 0.00 N ATOM 1409 CA PHE A 104 1.402 11.391 1.326 1.00 0.00 C ATOM 1410 C PHE A 104 2.211 12.261 2.283 1.00 0.00 C ATOM 1411 O PHE A 104 1.671 13.163 2.924 1.00 0.00 O ATOM 1412 CB PHE A 104 0.671 12.273 0.311 1.00 0.00 C ATOM 1413 CG PHE A 104 1.563 12.806 -0.773 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.294 11.943 -1.573 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.670 14.170 -0.992 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.116 12.430 -2.572 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.489 14.663 -1.990 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.214 13.792 -2.780 1.00 0.00 C ATOM 0 H PHE A 104 -0.379 11.059 2.381 1.00 0.00 H new ATOM 0 HA PHE A 104 2.088 10.731 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.136 11.698 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.210 13.110 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.221 10.877 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.107 14.856 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.681 11.747 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.562 15.728 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.856 14.175 -3.559 1.00 0.00 H new ATOM 1428 N GLU A 105 3.507 11.983 2.375 1.00 0.00 N ATOM 1429 CA GLU A 105 4.390 12.740 3.255 1.00 0.00 C ATOM 1430 C GLU A 105 3.953 12.604 4.711 1.00 0.00 C ATOM 1431 O GLU A 105 3.905 13.587 5.449 1.00 0.00 O ATOM 1432 CB GLU A 105 4.407 14.215 2.852 1.00 0.00 C ATOM 1433 CG GLU A 105 5.172 14.487 1.568 1.00 0.00 C ATOM 1434 CD GLU A 105 6.645 14.752 1.812 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.342 13.834 2.292 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.100 15.878 1.522 1.00 0.00 O ATOM 0 H GLU A 105 3.969 11.240 1.851 1.00 0.00 H new ATOM 0 HA GLU A 105 5.396 12.333 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.381 14.562 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.850 14.798 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.066 13.633 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.731 15.346 1.062 1.00 0.00 H new ATOM 1443 N GLU A 106 3.634 11.378 5.115 1.00 0.00 N ATOM 1444 CA GLU A 106 3.200 11.114 6.482 1.00 0.00 C ATOM 1445 C GLU A 106 1.824 11.720 6.742 1.00 0.00 C ATOM 1446 O GLU A 106 1.511 12.119 7.864 1.00 0.00 O ATOM 1447 CB GLU A 106 4.214 11.676 7.481 1.00 0.00 C ATOM 1448 CG GLU A 106 5.660 11.452 7.071 1.00 0.00 C ATOM 1449 CD GLU A 106 6.617 11.525 8.245 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.247 11.058 9.343 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.736 12.049 8.066 1.00 0.00 O ATOM 0 H GLU A 106 3.668 10.553 4.516 1.00 0.00 H new ATOM 0 HA GLU A 106 3.133 10.034 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.040 12.746 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.046 11.216 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.751 10.477 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.943 12.199 6.329 1.00 0.00 H new ATOM 1458 N VAL A 107 1.005 11.786 5.697 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.337 12.343 5.811 1.00 0.00 C ATOM 1460 C VAL A 107 -1.364 11.447 5.126 1.00 0.00 C ATOM 1461 O VAL A 107 -1.358 11.301 3.903 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.414 13.754 5.198 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.687 14.459 5.639 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.815 14.566 5.579 1.00 0.00 C ATOM 0 H VAL A 107 1.248 11.460 4.761 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.564 12.405 6.875 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.438 13.660 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.724 15.454 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.553 13.884 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.698 14.545 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.745 15.560 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.871 14.653 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.710 14.067 5.208 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.244 10.849 5.922 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.279 9.968 5.393 1.00 0.00 C ATOM 1476 C HIS A 108 -4.210 10.727 4.451 1.00 0.00 C ATOM 1477 O HIS A 108 -4.811 11.730 4.834 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.084 9.348 6.535 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.542 8.033 7.005 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.176 6.831 6.770 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.419 7.735 7.698 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.467 5.851 7.300 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.395 6.373 7.869 1.00 0.00 N ATOM 0 H HIS A 108 -2.261 10.958 6.936 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.791 9.173 4.830 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.104 10.044 7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.115 9.211 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.679 8.438 8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.720 4.801 7.273 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.668 5.849 8.356 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.322 10.241 3.220 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.180 10.873 2.225 1.00 0.00 C ATOM 1494 C ILE A 109 -6.653 10.649 2.547 1.00 0.00 C ATOM 1495 O ILE A 109 -7.035 9.656 3.168 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.888 10.340 0.810 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.269 8.861 0.710 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.421 10.540 0.460 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.697 8.440 -0.678 1.00 0.00 C ATOM 0 H ILE A 109 -3.830 9.412 2.887 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.963 11.941 2.254 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.491 10.900 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.419 8.253 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.079 8.655 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.231 10.158 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.180 11.602 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.800 10.003 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.952 7.380 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.567 9.022 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.881 8.614 -1.379 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.503 11.592 2.115 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.950 11.519 2.344 1.00 0.00 C ATOM 1513 C PRO A 110 -9.610 10.412 1.530 1.00 0.00 C ATOM 1514 O PRO A 110 -10.128 10.654 0.440 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.451 12.891 1.886 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.436 13.356 0.900 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.119 12.802 1.370 1.00 0.00 C ATOM 0 HA PRO A 110 -9.187 11.288 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.440 12.820 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.534 13.582 2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.674 13.000 -0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.407 14.445 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.461 12.567 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.588 13.512 2.004 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.588 9.195 2.066 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.188 8.069 1.375 1.00 0.00 C ATOM 1527 C GLY A 111 -9.541 6.749 1.746 1.00 0.00 C ATOM 1528 O GLY A 111 -10.070 5.682 1.437 1.00 0.00 O ATOM 0 H GLY A 111 -9.165 8.969 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.252 8.027 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.105 8.221 0.299 1.00 0.00 H new ATOM 1532 N SER A 112 -8.392 6.822 2.411 1.00 0.00 N ATOM 1533 CA SER A 112 -7.669 5.623 2.820 1.00 0.00 C ATOM 1534 C SER A 112 -7.848 5.363 4.312 1.00 0.00 C ATOM 1535 O SER A 112 -8.116 6.272 5.099 1.00 0.00 O ATOM 1536 CB SER A 112 -6.182 5.762 2.489 1.00 0.00 C ATOM 1537 OG SER A 112 -5.464 6.299 3.587 1.00 0.00 O ATOM 0 H SER A 112 -7.942 7.698 2.678 1.00 0.00 H new ATOM 0 HA SER A 112 -8.079 4.776 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.772 4.787 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.058 6.407 1.619 1.00 0.00 H new ATOM 0 HG SER A 112 -4.645 6.729 3.263 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.697 4.092 4.713 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.379 3.002 3.786 1.00 0.00 C ATOM 1545 C PRO A 113 -8.543 2.674 2.856 1.00 0.00 C ATOM 1546 O PRO A 113 -9.645 3.200 3.015 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.087 1.821 4.714 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.841 2.124 5.962 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.826 3.621 6.102 1.00 0.00 C ATOM 0 HA PRO A 113 -6.551 3.257 3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.415 0.880 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.019 1.726 4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.862 1.748 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.376 1.647 6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.739 3.990 6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.994 3.959 6.720 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.291 1.801 1.886 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.318 1.403 0.930 1.00 0.00 C ATOM 1559 C PHE A 114 -9.615 -0.089 1.042 1.00 0.00 C ATOM 1560 O PHE A 114 -8.897 -0.921 0.486 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.876 1.742 -0.495 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.945 3.208 -0.812 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.985 4.081 -0.326 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.970 3.714 -1.595 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.046 5.432 -0.615 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.035 5.063 -1.888 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.073 5.923 -1.397 1.00 0.00 C ATOM 0 H PHE A 114 -7.385 1.356 1.741 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.229 1.955 1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.853 1.395 -0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.502 1.196 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.180 3.702 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.727 3.047 -1.981 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.292 6.102 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.838 5.444 -2.501 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.123 6.978 -1.624 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.679 -0.422 1.765 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.074 -1.813 1.951 1.00 0.00 C ATOM 1579 C LYS A 115 -11.270 -2.507 0.607 1.00 0.00 C ATOM 1580 O LYS A 115 -12.119 -2.109 -0.190 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.364 -1.893 2.770 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.824 -3.315 3.043 1.00 0.00 C ATOM 1583 CD LYS A 115 -14.332 -3.390 3.214 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.783 -2.707 4.496 1.00 0.00 C ATOM 1585 NZ LYS A 115 -14.581 -3.578 5.688 1.00 0.00 N ATOM 0 H LYS A 115 -11.284 0.254 2.232 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.276 -2.322 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.214 -1.380 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.154 -1.360 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.518 -3.962 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.336 -3.690 3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.820 -2.921 2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.646 -4.434 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.229 -1.778 4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.837 -2.441 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -14.900 -3.077 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.130 -4.454 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.572 -3.811 5.780 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.479 -3.547 0.362 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.568 -4.298 -0.884 1.00 0.00 C ATOM 1601 C ALA A 116 -11.048 -5.724 -0.632 1.00 0.00 C ATOM 1602 O ALA A 116 -10.292 -6.567 -0.151 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.221 -4.310 -1.590 1.00 0.00 C ATOM 0 H ALA A 116 -9.769 -3.888 1.010 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.298 -3.805 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.302 -4.874 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.918 -3.287 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.477 -4.777 -0.945 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.308 -5.985 -0.960 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.889 -7.309 -0.770 1.00 0.00 C ATOM 1611 C ASP A 117 -12.424 -8.268 -1.861 1.00 0.00 C ATOM 1612 O ASP A 117 -12.788 -8.121 -3.028 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.416 -7.224 -0.766 1.00 0.00 C ATOM 1614 CG ASP A 117 -14.975 -6.924 0.611 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.879 -7.802 1.494 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.510 -5.812 0.806 1.00 0.00 O ATOM 0 H ASP A 117 -12.947 -5.297 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.552 -7.691 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.736 -6.448 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.830 -8.166 -1.126 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.616 -9.250 -1.474 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.101 -10.233 -2.419 1.00 0.00 C ATOM 1623 C ILE A 118 -11.992 -11.469 -2.467 1.00 0.00 C ATOM 1624 O ILE A 118 -12.421 -11.976 -1.431 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.666 -10.661 -2.060 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.718 -9.463 -2.138 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.199 -11.775 -2.985 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.413 -9.024 -3.553 1.00 0.00 C ATOM 0 H ILE A 118 -11.304 -9.386 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.094 -9.755 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.660 -11.038 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.157 -8.627 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.784 -9.716 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.183 -12.067 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.862 -12.634 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.217 -11.423 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.735 -8.171 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.945 -9.845 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.339 -8.739 -4.053 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.265 -11.949 -3.676 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.104 -13.128 -3.858 1.00 0.00 C ATOM 1642 C GLU A 119 -12.292 -14.294 -4.412 1.00 0.00 C ATOM 1643 O GLU A 119 -11.163 -14.117 -4.868 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.269 -12.811 -4.798 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.331 -11.921 -4.173 1.00 0.00 C ATOM 1646 CD GLU A 119 -15.915 -12.512 -2.904 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.361 -13.677 -2.943 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -15.925 -11.808 -1.873 1.00 0.00 O ATOM 0 H GLU A 119 -11.918 -11.540 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.500 -13.415 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.881 -12.325 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.732 -13.745 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.897 -10.946 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.131 -11.756 -4.894 1.00 0.00 H new ATOM 1655 N MET A 120 -12.875 -15.488 -4.368 1.00 0.00 N ATOM 1656 CA MET A 120 -12.206 -16.684 -4.866 1.00 0.00 C ATOM 1657 C MET A 120 -12.500 -16.894 -6.348 1.00 0.00 C ATOM 1658 O MET A 120 -13.652 -17.010 -6.767 1.00 0.00 O ATOM 1659 CB MET A 120 -12.648 -17.912 -4.068 1.00 0.00 C ATOM 1660 CG MET A 120 -12.079 -17.957 -2.659 1.00 0.00 C ATOM 1661 SD MET A 120 -12.088 -19.619 -1.960 1.00 0.00 S ATOM 1662 CE MET A 120 -10.405 -19.743 -1.360 1.00 0.00 C ATOM 0 H MET A 120 -13.809 -15.653 -3.993 1.00 0.00 H new ATOM 0 HA MET A 120 -11.132 -16.547 -4.742 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.736 -17.927 -4.012 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.344 -18.812 -4.603 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.057 -17.578 -2.672 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.657 -17.293 -2.016 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.069 -20.777 -1.431 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.756 -19.108 -1.963 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.365 -19.419 -0.320 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.435 -16.943 -7.163 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.554 -17.139 -8.611 1.00 0.00 C ATOM 1674 C PRO A 121 -12.016 -18.547 -8.969 1.00 0.00 C ATOM 1675 O PRO A 121 -12.096 -19.423 -8.107 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.131 -16.898 -9.119 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.254 -17.210 -7.956 1.00 0.00 C ATOM 1678 CD PRO A 121 -10.033 -16.811 -6.733 1.00 0.00 C ATOM 0 HA PRO A 121 -12.297 -16.475 -9.053 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.901 -17.538 -9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.998 -15.868 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.002 -18.270 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.314 -16.661 -8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.810 -17.459 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.802 -15.792 -6.424 1.00 0.00 H new