USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 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 : amide:sc= -0.84 X(o=-0.9,f=-0.88) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.768 X(o=-0.9,f=-1.1!) USER MOD Set 1.3: A 112 SER OG : rot -155:sc= 0.709 USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= 0.733 F(o=-1.7,f=1) USER MOD Set 2.2: A 85 THR OG1 : rot 100:sc= 0.272 USER MOD Set 3.1: A 72 CYS SG : rot -160:sc= 0.622 USER MOD Set 3.2: A 98 TYR OH : rot 23:sc= 1.03 USER MOD Single : A 32 SER OG : rot -26:sc= 0.126 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0445) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -0.778 (180deg=-0.952) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.914 USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= -1.5 (180deg=-3.29!) USER MOD Single : A 78 CYS SG : rot 25:sc= 0.3 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -80:sc= 1.04 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -14:sc= -1.42 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -125:sc= 0 (180deg=-0.987) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.542 19.178 -1.303 1.00 0.00 N ATOM 363 CA PRO A 29 2.773 17.946 -1.102 1.00 0.00 C ATOM 364 C PRO A 29 1.344 18.223 -0.649 1.00 0.00 C ATOM 365 O PRO A 29 1.120 18.890 0.361 1.00 0.00 O ATOM 366 CB PRO A 29 3.551 17.219 -0.002 1.00 0.00 C ATOM 367 CG PRO A 29 4.261 18.299 0.737 1.00 0.00 C ATOM 368 CD PRO A 29 4.589 19.354 -0.283 1.00 0.00 C ATOM 0 HA PRO A 29 2.673 17.372 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.882 16.664 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.253 16.500 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.634 18.705 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.167 17.918 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.564 20.354 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.586 19.213 -0.701 1.00 0.00 H new ATOM 376 N ASP A 30 0.379 17.706 -1.402 1.00 0.00 N ATOM 377 CA ASP A 30 -1.030 17.896 -1.077 1.00 0.00 C ATOM 378 C ASP A 30 -1.778 16.567 -1.105 1.00 0.00 C ATOM 379 O ASP A 30 -2.236 16.106 -2.150 1.00 0.00 O ATOM 380 CB ASP A 30 -1.673 18.878 -2.057 1.00 0.00 C ATOM 381 CG ASP A 30 -0.873 20.157 -2.204 1.00 0.00 C ATOM 382 OD1 ASP A 30 -0.532 20.766 -1.169 1.00 0.00 O ATOM 383 OD2 ASP A 30 -0.588 20.549 -3.355 1.00 0.00 O ATOM 0 H ASP A 30 0.547 17.152 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.093 18.307 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.772 18.401 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.680 19.120 -1.716 1.00 0.00 H new ATOM 388 N PRO A 31 -1.904 15.934 0.071 1.00 0.00 N ATOM 389 CA PRO A 31 -2.595 14.648 0.208 1.00 0.00 C ATOM 390 C PRO A 31 -4.100 14.775 0.004 1.00 0.00 C ATOM 391 O PRO A 31 -4.772 13.807 -0.352 1.00 0.00 O ATOM 392 CB PRO A 31 -2.284 14.230 1.647 1.00 0.00 C ATOM 393 CG PRO A 31 -2.020 15.509 2.365 1.00 0.00 C ATOM 394 CD PRO A 31 -1.382 16.425 1.358 1.00 0.00 C ATOM 0 HA PRO A 31 -2.266 13.927 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.121 13.692 2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.420 13.567 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.945 15.938 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.362 15.349 3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.655 17.466 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.294 16.370 1.398 1.00 0.00 H new ATOM 402 N SER A 32 -4.625 15.975 0.231 1.00 0.00 N ATOM 403 CA SER A 32 -6.053 16.227 0.075 1.00 0.00 C ATOM 404 C SER A 32 -6.466 16.122 -1.390 1.00 0.00 C ATOM 405 O SER A 32 -7.653 16.063 -1.711 1.00 0.00 O ATOM 406 CB SER A 32 -6.410 17.611 0.619 1.00 0.00 C ATOM 407 OG SER A 32 -7.813 17.811 0.623 1.00 0.00 O ATOM 0 H SER A 32 -4.083 16.788 0.524 1.00 0.00 H new ATOM 0 HA SER A 32 -6.595 15.470 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.021 17.719 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.932 18.379 0.011 1.00 0.00 H new ATOM 0 HG SER A 32 -8.225 17.256 -0.072 1.00 0.00 H new ATOM 413 N LYS A 33 -5.477 16.100 -2.277 1.00 0.00 N ATOM 414 CA LYS A 33 -5.734 16.001 -3.709 1.00 0.00 C ATOM 415 C LYS A 33 -5.542 14.569 -4.199 1.00 0.00 C ATOM 416 O LYS A 33 -6.312 14.076 -5.023 1.00 0.00 O ATOM 417 CB LYS A 33 -4.808 16.944 -4.481 1.00 0.00 C ATOM 418 CG LYS A 33 -4.780 18.358 -3.927 1.00 0.00 C ATOM 419 CD LYS A 33 -5.844 19.230 -4.572 1.00 0.00 C ATOM 420 CE LYS A 33 -7.156 19.169 -3.805 1.00 0.00 C ATOM 421 NZ LYS A 33 -8.075 20.276 -4.189 1.00 0.00 N ATOM 0 H LYS A 33 -4.489 16.149 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.769 16.292 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.797 16.538 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.125 16.977 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.935 18.330 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.797 18.797 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.494 20.261 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.007 18.906 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.642 18.212 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.954 19.219 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.958 20.199 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.622 21.190 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.289 20.213 -5.205 1.00 0.00 H new ATOM 435 N VAL A 34 -4.511 13.906 -3.685 1.00 0.00 N ATOM 436 CA VAL A 34 -4.220 12.529 -4.068 1.00 0.00 C ATOM 437 C VAL A 34 -5.499 11.708 -4.181 1.00 0.00 C ATOM 438 O VAL A 34 -6.176 11.451 -3.184 1.00 0.00 O ATOM 439 CB VAL A 34 -3.276 11.853 -3.056 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.213 10.354 -3.305 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.889 12.473 -3.126 1.00 0.00 C ATOM 0 H VAL A 34 -3.863 14.300 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.730 12.568 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.670 12.014 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.541 9.893 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.210 9.925 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.843 10.168 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.235 11.984 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.483 12.344 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.954 13.536 -2.894 1.00 0.00 H new ATOM 451 N LYS A 35 -5.827 11.298 -5.401 1.00 0.00 N ATOM 452 CA LYS A 35 -7.025 10.503 -5.647 1.00 0.00 C ATOM 453 C LYS A 35 -6.663 9.135 -6.217 1.00 0.00 C ATOM 454 O LYS A 35 -5.980 9.038 -7.236 1.00 0.00 O ATOM 455 CB LYS A 35 -7.961 11.237 -6.609 1.00 0.00 C ATOM 456 CG LYS A 35 -8.899 12.212 -5.920 1.00 0.00 C ATOM 457 CD LYS A 35 -10.174 12.421 -6.721 1.00 0.00 C ATOM 458 CE LYS A 35 -11.076 13.459 -6.072 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.617 12.987 -4.767 1.00 0.00 N ATOM 0 H LYS A 35 -5.279 11.503 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.535 10.357 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.363 11.778 -7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.552 10.504 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.149 11.838 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.394 13.168 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.921 12.739 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.709 11.476 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.517 14.382 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.902 13.693 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.305 13.678 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.086 12.068 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.839 12.885 -4.085 1.00 0.00 H new ATOM 473 N ALA A 36 -7.126 8.081 -5.553 1.00 0.00 N ATOM 474 CA ALA A 36 -6.854 6.720 -5.996 1.00 0.00 C ATOM 475 C ALA A 36 -8.133 6.025 -6.452 1.00 0.00 C ATOM 476 O ALA A 36 -9.047 5.802 -5.657 1.00 0.00 O ATOM 477 CB ALA A 36 -6.188 5.925 -4.883 1.00 0.00 C ATOM 0 H ALA A 36 -7.691 8.144 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.175 6.771 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.991 4.910 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.248 6.403 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.847 5.891 -4.015 1.00 0.00 H new ATOM 483 N HIS A 37 -8.191 5.685 -7.736 1.00 0.00 N ATOM 484 CA HIS A 37 -9.359 5.016 -8.297 1.00 0.00 C ATOM 485 C HIS A 37 -8.945 3.801 -9.121 1.00 0.00 C ATOM 486 O HIS A 37 -7.991 3.860 -9.896 1.00 0.00 O ATOM 487 CB HIS A 37 -10.162 5.985 -9.165 1.00 0.00 C ATOM 488 CG HIS A 37 -9.312 6.823 -10.070 1.00 0.00 C ATOM 489 ND1 HIS A 37 -8.910 6.408 -11.322 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.788 8.060 -9.899 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.174 7.352 -11.882 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.086 8.365 -11.039 1.00 0.00 N ATOM 0 H HIS A 37 -7.443 5.862 -8.407 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.984 4.678 -7.471 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.871 5.418 -9.768 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.746 6.640 -8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.901 8.689 -9.028 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.722 7.303 -12.862 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.579 9.234 -11.208 1.00 0.00 H new ATOM 501 N GLY A 38 -9.668 2.699 -8.948 1.00 0.00 N ATOM 502 CA GLY A 38 -9.360 1.485 -9.682 1.00 0.00 C ATOM 503 C GLY A 38 -9.966 0.251 -9.043 1.00 0.00 C ATOM 504 O GLY A 38 -10.567 0.313 -7.971 1.00 0.00 O ATOM 0 H GLY A 38 -10.462 2.625 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.728 1.579 -10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.278 1.365 -9.742 1.00 0.00 H new ATOM 508 N PRO A 39 -9.811 -0.902 -9.711 1.00 0.00 N ATOM 509 CA PRO A 39 -10.342 -2.177 -9.221 1.00 0.00 C ATOM 510 C PRO A 39 -9.599 -2.679 -7.987 1.00 0.00 C ATOM 511 O PRO A 39 -10.207 -3.201 -7.054 1.00 0.00 O ATOM 512 CB PRO A 39 -10.124 -3.129 -10.400 1.00 0.00 C ATOM 513 CG PRO A 39 -8.984 -2.539 -11.156 1.00 0.00 C ATOM 514 CD PRO A 39 -9.106 -1.049 -10.995 1.00 0.00 C ATOM 0 HA PRO A 39 -11.383 -2.092 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.892 -4.137 -10.057 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.017 -3.201 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.031 -2.897 -10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.025 -2.822 -12.208 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.129 -0.566 -10.975 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.667 -0.601 -11.815 1.00 0.00 H new ATOM 522 N GLY A 40 -8.280 -2.516 -7.989 1.00 0.00 N ATOM 523 CA GLY A 40 -7.476 -2.957 -6.865 1.00 0.00 C ATOM 524 C GLY A 40 -7.975 -2.406 -5.544 1.00 0.00 C ATOM 525 O GLY A 40 -7.691 -2.964 -4.483 1.00 0.00 O ATOM 0 H GLY A 40 -7.754 -2.086 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.479 -4.046 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.442 -2.646 -7.018 1.00 0.00 H new ATOM 529 N LEU A 41 -8.721 -1.309 -5.606 1.00 0.00 N ATOM 530 CA LEU A 41 -9.260 -0.681 -4.405 1.00 0.00 C ATOM 531 C LEU A 41 -10.520 -1.400 -3.933 1.00 0.00 C ATOM 532 O LEU A 41 -10.671 -1.694 -2.748 1.00 0.00 O ATOM 533 CB LEU A 41 -9.571 0.793 -4.672 1.00 0.00 C ATOM 534 CG LEU A 41 -8.405 1.644 -5.178 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.877 3.050 -5.515 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.288 1.687 -4.146 1.00 0.00 C ATOM 0 H LEU A 41 -8.967 -0.836 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.508 -0.751 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.378 0.847 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.946 1.237 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.014 1.187 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.034 3.641 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.641 3.001 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.294 3.517 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.467 2.297 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.665 2.120 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.930 0.675 -3.955 1.00 0.00 H new ATOM 548 N GLU A 42 -11.420 -1.682 -4.870 1.00 0.00 N ATOM 549 CA GLU A 42 -12.666 -2.369 -4.549 1.00 0.00 C ATOM 550 C GLU A 42 -12.403 -3.824 -4.169 1.00 0.00 C ATOM 551 O GLU A 42 -13.125 -4.405 -3.360 1.00 0.00 O ATOM 552 CB GLU A 42 -13.629 -2.307 -5.736 1.00 0.00 C ATOM 553 CG GLU A 42 -14.057 -0.895 -6.099 1.00 0.00 C ATOM 554 CD GLU A 42 -15.155 -0.869 -7.145 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.074 -1.659 -8.109 1.00 0.00 O ATOM 556 OE2 GLU A 42 -16.094 -0.059 -7.001 1.00 0.00 O ATOM 0 H GLU A 42 -11.310 -1.446 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.119 -1.865 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.155 -2.768 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.515 -2.898 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.403 -0.382 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.194 -0.342 -6.470 1.00 0.00 H new ATOM 563 N GLY A 43 -11.363 -4.405 -4.760 1.00 0.00 N ATOM 564 CA GLY A 43 -11.024 -5.786 -4.472 1.00 0.00 C ATOM 565 C GLY A 43 -10.472 -6.512 -5.683 1.00 0.00 C ATOM 566 O GLY A 43 -10.016 -5.884 -6.638 1.00 0.00 O ATOM 0 H GLY A 43 -10.750 -3.944 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.289 -5.816 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.911 -6.307 -4.113 1.00 0.00 H new ATOM 570 N GLY A 44 -10.512 -7.841 -5.644 1.00 0.00 N ATOM 571 CA GLY A 44 -10.008 -8.631 -6.752 1.00 0.00 C ATOM 572 C GLY A 44 -10.176 -10.120 -6.526 1.00 0.00 C ATOM 573 O GLY A 44 -11.200 -10.565 -6.005 1.00 0.00 O ATOM 0 H GLY A 44 -10.884 -8.384 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.529 -8.344 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.952 -8.407 -6.904 1.00 0.00 H new ATOM 577 N LEU A 45 -9.171 -10.894 -6.919 1.00 0.00 N ATOM 578 CA LEU A 45 -9.213 -12.344 -6.758 1.00 0.00 C ATOM 579 C LEU A 45 -7.938 -12.855 -6.095 1.00 0.00 C ATOM 580 O LEU A 45 -6.873 -12.251 -6.225 1.00 0.00 O ATOM 581 CB LEU A 45 -9.403 -13.022 -8.116 1.00 0.00 C ATOM 582 CG LEU A 45 -10.709 -12.709 -8.846 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.625 -13.141 -10.301 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.882 -13.388 -8.153 1.00 0.00 C ATOM 0 H LEU A 45 -8.317 -10.542 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.058 -12.590 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.572 -12.737 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.340 -14.101 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.869 -11.631 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.564 -12.910 -10.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.810 -12.609 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.441 -14.214 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.804 -13.155 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.728 -14.467 -8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.955 -13.029 -7.126 1.00 0.00 H new ATOM 596 N VAL A 46 -8.053 -13.973 -5.386 1.00 0.00 N ATOM 597 CA VAL A 46 -6.909 -14.569 -4.706 1.00 0.00 C ATOM 598 C VAL A 46 -5.842 -15.005 -5.703 1.00 0.00 C ATOM 599 O VAL A 46 -6.155 -15.471 -6.798 1.00 0.00 O ATOM 600 CB VAL A 46 -7.330 -15.783 -3.857 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.128 -16.375 -3.139 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.413 -15.388 -2.864 1.00 0.00 C ATOM 0 H VAL A 46 -8.927 -14.485 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.497 -13.802 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.738 -16.545 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.445 -17.232 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.388 -16.696 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.688 -15.622 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.699 -16.258 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.034 -14.608 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.283 -15.015 -3.404 1.00 0.00 H new ATOM 612 N GLY A 47 -4.579 -14.852 -5.317 1.00 0.00 N ATOM 613 CA GLY A 47 -3.485 -15.236 -6.188 1.00 0.00 C ATOM 614 C GLY A 47 -3.541 -14.536 -7.532 1.00 0.00 C ATOM 615 O GLY A 47 -2.856 -14.931 -8.476 1.00 0.00 O ATOM 0 H GLY A 47 -4.294 -14.469 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.538 -15.005 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.509 -16.315 -6.342 1.00 0.00 H new ATOM 619 N LYS A 48 -4.361 -13.494 -7.621 1.00 0.00 N ATOM 620 CA LYS A 48 -4.506 -12.738 -8.859 1.00 0.00 C ATOM 621 C LYS A 48 -4.008 -11.307 -8.683 1.00 0.00 C ATOM 622 O LYS A 48 -4.142 -10.704 -7.618 1.00 0.00 O ATOM 623 CB LYS A 48 -5.969 -12.728 -9.307 1.00 0.00 C ATOM 624 CG LYS A 48 -6.405 -14.014 -9.988 1.00 0.00 C ATOM 625 CD LYS A 48 -6.155 -13.963 -11.486 1.00 0.00 C ATOM 626 CE LYS A 48 -6.410 -15.313 -12.139 1.00 0.00 C ATOM 627 NZ LYS A 48 -5.739 -15.423 -13.464 1.00 0.00 N ATOM 0 H LYS A 48 -4.935 -13.154 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.901 -13.224 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.605 -12.553 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.125 -11.894 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.865 -14.857 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.465 -14.185 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.801 -13.211 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.127 -13.655 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.052 -16.107 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.483 -15.460 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.937 -16.357 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.099 -14.681 -14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.712 -15.308 -13.344 1.00 0.00 H new ATOM 641 N PRO A 49 -3.421 -10.748 -9.752 1.00 0.00 N ATOM 642 CA PRO A 49 -2.893 -9.380 -9.740 1.00 0.00 C ATOM 643 C PRO A 49 -3.999 -8.333 -9.678 1.00 0.00 C ATOM 644 O PRO A 49 -4.949 -8.373 -10.458 1.00 0.00 O ATOM 645 CB PRO A 49 -2.137 -9.281 -11.067 1.00 0.00 C ATOM 646 CG PRO A 49 -2.791 -10.284 -11.953 1.00 0.00 C ATOM 647 CD PRO A 49 -3.227 -11.408 -11.054 1.00 0.00 C ATOM 0 HA PRO A 49 -2.272 -9.190 -8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.205 -8.278 -11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.077 -9.500 -10.936 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.643 -9.848 -12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.099 -10.640 -12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.146 -11.873 -11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.473 -12.193 -10.998 1.00 0.00 H new ATOM 655 N ALA A 50 -3.868 -7.396 -8.744 1.00 0.00 N ATOM 656 CA ALA A 50 -4.855 -6.336 -8.582 1.00 0.00 C ATOM 657 C ALA A 50 -4.182 -4.992 -8.327 1.00 0.00 C ATOM 658 O ALA A 50 -3.428 -4.838 -7.366 1.00 0.00 O ATOM 659 CB ALA A 50 -5.811 -6.674 -7.447 1.00 0.00 C ATOM 0 H ALA A 50 -3.088 -7.350 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.422 -6.258 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.543 -5.874 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.326 -7.608 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.250 -6.782 -6.519 1.00 0.00 H new ATOM 665 N GLU A 51 -4.457 -4.022 -9.194 1.00 0.00 N ATOM 666 CA GLU A 51 -3.875 -2.692 -9.061 1.00 0.00 C ATOM 667 C GLU A 51 -4.923 -1.612 -9.317 1.00 0.00 C ATOM 668 O GLU A 51 -6.066 -1.910 -9.664 1.00 0.00 O ATOM 669 CB GLU A 51 -2.705 -2.524 -10.033 1.00 0.00 C ATOM 670 CG GLU A 51 -2.985 -3.070 -11.423 1.00 0.00 C ATOM 671 CD GLU A 51 -1.909 -2.697 -12.424 1.00 0.00 C ATOM 672 OE1 GLU A 51 -0.774 -2.405 -11.992 1.00 0.00 O ATOM 673 OE2 GLU A 51 -2.202 -2.696 -13.638 1.00 0.00 O ATOM 0 H GLU A 51 -5.079 -4.133 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.508 -2.584 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.457 -1.465 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.829 -3.027 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.069 -4.156 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.946 -2.692 -11.771 1.00 0.00 H new ATOM 680 N PHE A 52 -4.524 -0.356 -9.143 1.00 0.00 N ATOM 681 CA PHE A 52 -5.428 0.769 -9.353 1.00 0.00 C ATOM 682 C PHE A 52 -4.703 1.929 -10.031 1.00 0.00 C ATOM 683 O PHE A 52 -3.504 1.855 -10.299 1.00 0.00 O ATOM 684 CB PHE A 52 -6.019 1.231 -8.020 1.00 0.00 C ATOM 685 CG PHE A 52 -5.045 1.169 -6.878 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.631 -0.051 -6.369 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.544 2.331 -6.314 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.735 -0.111 -5.318 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.648 2.277 -5.264 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.243 1.054 -4.765 1.00 0.00 C ATOM 0 H PHE A 52 -3.581 -0.092 -8.857 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.236 0.438 -10.005 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.377 2.255 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.885 0.613 -7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.013 -0.966 -6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.857 3.290 -6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.420 -1.068 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.264 3.190 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.543 1.010 -3.944 1.00 0.00 H new ATOM 700 N THR A 53 -5.441 3.000 -10.305 1.00 0.00 N ATOM 701 CA THR A 53 -4.872 4.175 -10.952 1.00 0.00 C ATOM 702 C THR A 53 -4.848 5.368 -10.004 1.00 0.00 C ATOM 703 O THR A 53 -5.896 5.857 -9.581 1.00 0.00 O ATOM 704 CB THR A 53 -5.661 4.556 -12.219 1.00 0.00 C ATOM 705 OG1 THR A 53 -5.856 3.400 -13.042 1.00 0.00 O ATOM 706 CG2 THR A 53 -4.929 5.630 -13.010 1.00 0.00 C ATOM 0 H THR A 53 -6.435 3.078 -10.089 1.00 0.00 H new ATOM 0 HA THR A 53 -3.851 3.917 -11.233 1.00 0.00 H new ATOM 0 HB THR A 53 -6.630 4.950 -11.912 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.360 3.651 -13.844 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.505 5.883 -13.900 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.809 6.519 -12.391 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.948 5.259 -13.306 1.00 0.00 H new ATOM 714 N ILE A 54 -3.648 5.832 -9.674 1.00 0.00 N ATOM 715 CA ILE A 54 -3.489 6.969 -8.777 1.00 0.00 C ATOM 716 C ILE A 54 -3.271 8.260 -9.559 1.00 0.00 C ATOM 717 O ILE A 54 -2.673 8.253 -10.634 1.00 0.00 O ATOM 718 CB ILE A 54 -2.308 6.763 -7.810 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.608 5.618 -6.841 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.017 8.047 -7.047 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.429 5.234 -5.975 1.00 0.00 C ATOM 0 H ILE A 54 -2.771 5.438 -10.015 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.411 7.047 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.424 6.501 -8.391 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.441 5.905 -6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.929 4.746 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.180 7.885 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.765 8.840 -7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.898 8.338 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.715 4.416 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.601 4.916 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.121 6.093 -5.379 1.00 0.00 H new ATOM 733 N ASP A 55 -3.760 9.367 -9.010 1.00 0.00 N ATOM 734 CA ASP A 55 -3.617 10.667 -9.654 1.00 0.00 C ATOM 735 C ASP A 55 -3.153 11.721 -8.654 1.00 0.00 C ATOM 736 O ASP A 55 -3.913 12.143 -7.782 1.00 0.00 O ATOM 737 CB ASP A 55 -4.942 11.095 -10.287 1.00 0.00 C ATOM 738 CG ASP A 55 -5.079 10.621 -11.721 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.426 9.619 -12.078 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.838 11.253 -12.485 1.00 0.00 O ATOM 0 H ASP A 55 -4.259 9.390 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.862 10.577 -10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.768 10.699 -9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.021 12.182 -10.258 1.00 0.00 H new ATOM 745 N THR A 56 -1.899 12.144 -8.785 1.00 0.00 N ATOM 746 CA THR A 56 -1.333 13.146 -7.892 1.00 0.00 C ATOM 747 C THR A 56 -0.754 14.318 -8.677 1.00 0.00 C ATOM 748 O THR A 56 0.116 15.038 -8.188 1.00 0.00 O ATOM 749 CB THR A 56 -0.229 12.545 -7.001 1.00 0.00 C ATOM 750 OG1 THR A 56 0.835 12.038 -7.814 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.785 11.430 -6.129 1.00 0.00 C ATOM 0 H THR A 56 -1.256 11.807 -9.502 1.00 0.00 H new ATOM 0 HA THR A 56 -2.147 13.502 -7.260 1.00 0.00 H new ATOM 0 HB THR A 56 0.154 13.333 -6.353 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.533 11.659 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.013 11.021 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.574 11.827 -5.490 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.193 10.642 -6.762 1.00 0.00 H new ATOM 759 N LYS A 57 -1.244 14.505 -9.898 1.00 0.00 N ATOM 760 CA LYS A 57 -0.777 15.591 -10.752 1.00 0.00 C ATOM 761 C LYS A 57 -0.834 16.925 -10.015 1.00 0.00 C ATOM 762 O LYS A 57 0.140 17.676 -9.995 1.00 0.00 O ATOM 763 CB LYS A 57 -1.621 15.664 -12.026 1.00 0.00 C ATOM 764 CG LYS A 57 -1.768 14.330 -12.736 1.00 0.00 C ATOM 765 CD LYS A 57 -2.396 14.495 -14.110 1.00 0.00 C ATOM 766 CE LYS A 57 -3.008 13.193 -14.603 1.00 0.00 C ATOM 767 NZ LYS A 57 -1.980 12.131 -14.787 1.00 0.00 N ATOM 0 H LYS A 57 -1.965 13.918 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 57 0.260 15.388 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.611 16.043 -11.774 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.169 16.382 -12.710 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.789 13.861 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.382 13.661 -12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.164 15.267 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.640 14.834 -14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.759 12.852 -13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.522 13.368 -15.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.416 11.300 -15.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.215 12.490 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.590 11.861 -13.861 1.00 0.00 H new ATOM 781 N GLY A 58 -1.981 17.213 -9.408 1.00 0.00 N ATOM 782 CA GLY A 58 -2.142 18.456 -8.676 1.00 0.00 C ATOM 783 C GLY A 58 -1.943 18.280 -7.184 1.00 0.00 C ATOM 784 O GLY A 58 -2.515 19.020 -6.383 1.00 0.00 O ATOM 0 H GLY A 58 -2.802 16.608 -9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.428 19.190 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.138 18.857 -8.862 1.00 0.00 H new ATOM 788 N ALA A 59 -1.131 17.298 -6.808 1.00 0.00 N ATOM 789 CA ALA A 59 -0.858 17.028 -5.402 1.00 0.00 C ATOM 790 C ALA A 59 0.509 17.567 -4.995 1.00 0.00 C ATOM 791 O ALA A 59 0.657 18.172 -3.934 1.00 0.00 O ATOM 792 CB ALA A 59 -0.941 15.534 -5.126 1.00 0.00 C ATOM 0 H ALA A 59 -0.650 16.676 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.614 17.540 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.735 15.347 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.940 15.174 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.207 15.010 -5.738 1.00 0.00 H new ATOM 798 N GLY A 60 1.506 17.344 -5.846 1.00 0.00 N ATOM 799 CA GLY A 60 2.848 17.814 -5.556 1.00 0.00 C ATOM 800 C GLY A 60 3.884 16.713 -5.664 1.00 0.00 C ATOM 801 O GLY A 60 3.734 15.785 -6.460 1.00 0.00 O ATOM 0 H GLY A 60 1.408 16.846 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.105 18.619 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.873 18.235 -4.551 1.00 0.00 H new ATOM 805 N THR A 61 4.940 16.815 -4.863 1.00 0.00 N ATOM 806 CA THR A 61 6.007 15.822 -4.874 1.00 0.00 C ATOM 807 C THR A 61 6.526 15.557 -3.466 1.00 0.00 C ATOM 808 O THR A 61 6.855 16.487 -2.730 1.00 0.00 O ATOM 809 CB THR A 61 7.180 16.268 -5.767 1.00 0.00 C ATOM 810 OG1 THR A 61 6.685 16.759 -7.018 1.00 0.00 O ATOM 811 CG2 THR A 61 8.141 15.115 -6.014 1.00 0.00 C ATOM 0 H THR A 61 5.079 17.576 -4.198 1.00 0.00 H new ATOM 0 HA THR A 61 5.581 14.904 -5.279 1.00 0.00 H new ATOM 0 HB THR A 61 7.717 17.064 -5.252 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.437 17.042 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.961 15.454 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.539 14.763 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.613 14.301 -6.510 1.00 0.00 H new ATOM 819 N GLY A 62 6.598 14.282 -3.096 1.00 0.00 N ATOM 820 CA GLY A 62 7.079 13.918 -1.776 1.00 0.00 C ATOM 821 C GLY A 62 7.250 12.421 -1.614 1.00 0.00 C ATOM 822 O GLY A 62 7.775 11.749 -2.501 1.00 0.00 O ATOM 0 H GLY A 62 6.332 13.494 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.033 14.412 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.380 14.284 -1.024 1.00 0.00 H new ATOM 826 N GLY A 63 6.807 11.896 -0.476 1.00 0.00 N ATOM 827 CA GLY A 63 6.925 10.473 -0.220 1.00 0.00 C ATOM 828 C GLY A 63 5.601 9.841 0.165 1.00 0.00 C ATOM 829 O GLY A 63 5.036 10.156 1.213 1.00 0.00 O ATOM 0 H GLY A 63 6.368 12.431 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.315 9.978 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.648 10.309 0.579 1.00 0.00 H new ATOM 833 N LEU A 64 5.105 8.949 -0.685 1.00 0.00 N ATOM 834 CA LEU A 64 3.838 8.272 -0.430 1.00 0.00 C ATOM 835 C LEU A 64 4.068 6.916 0.228 1.00 0.00 C ATOM 836 O LEU A 64 4.887 6.122 -0.233 1.00 0.00 O ATOM 837 CB LEU A 64 3.060 8.094 -1.735 1.00 0.00 C ATOM 838 CG LEU A 64 1.653 7.510 -1.603 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.633 8.618 -1.394 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.302 6.684 -2.832 1.00 0.00 C ATOM 0 H LEU A 64 5.560 8.678 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 64 3.254 8.891 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.984 9.065 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.639 7.448 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 64 1.632 6.856 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.362 8.184 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.874 9.168 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.655 9.298 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.297 6.276 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.341 7.317 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.016 5.867 -2.937 1.00 0.00 H new ATOM 852 N GLY A 65 3.337 6.655 1.308 1.00 0.00 N ATOM 853 CA GLY A 65 3.475 5.393 2.011 1.00 0.00 C ATOM 854 C GLY A 65 2.291 4.473 1.787 1.00 0.00 C ATOM 855 O GLY A 65 1.162 4.800 2.157 1.00 0.00 O ATOM 0 H GLY A 65 2.652 7.296 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.386 4.894 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.585 5.585 3.078 1.00 0.00 H new ATOM 859 N LEU A 66 2.546 3.320 1.178 1.00 0.00 N ATOM 860 CA LEU A 66 1.492 2.350 0.904 1.00 0.00 C ATOM 861 C LEU A 66 1.755 1.038 1.637 1.00 0.00 C ATOM 862 O LEU A 66 2.770 0.379 1.409 1.00 0.00 O ATOM 863 CB LEU A 66 1.387 2.094 -0.601 1.00 0.00 C ATOM 864 CG LEU A 66 0.116 1.388 -1.074 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.988 2.399 -1.342 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.397 0.561 -2.320 1.00 0.00 C ATOM 0 H LEU A 66 3.474 3.034 0.865 1.00 0.00 H new ATOM 0 HA LEU A 66 0.549 2.763 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.461 3.051 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.246 1.498 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.218 0.716 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.885 1.878 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.209 2.948 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.663 3.096 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.519 0.066 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.756 1.213 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.155 -0.189 -2.095 1.00 0.00 H new ATOM 878 N THR A 67 0.832 0.664 2.518 1.00 0.00 N ATOM 879 CA THR A 67 0.963 -0.569 3.284 1.00 0.00 C ATOM 880 C THR A 67 -0.351 -1.341 3.312 1.00 0.00 C ATOM 881 O THR A 67 -1.426 -0.753 3.426 1.00 0.00 O ATOM 882 CB THR A 67 1.410 -0.287 4.731 1.00 0.00 C ATOM 883 OG1 THR A 67 0.613 0.761 5.294 1.00 0.00 O ATOM 884 CG2 THR A 67 2.879 0.107 4.776 1.00 0.00 C ATOM 0 H THR A 67 -0.014 1.197 2.718 1.00 0.00 H new ATOM 0 HA THR A 67 1.724 -1.170 2.787 1.00 0.00 H new ATOM 0 HB THR A 67 1.276 -1.198 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.902 0.933 6.214 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.172 0.301 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.486 -0.704 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.033 1.006 4.180 1.00 0.00 H new ATOM 892 N VAL A 68 -0.258 -2.663 3.207 1.00 0.00 N ATOM 893 CA VAL A 68 -1.440 -3.516 3.222 1.00 0.00 C ATOM 894 C VAL A 68 -1.692 -4.082 4.615 1.00 0.00 C ATOM 895 O VAL A 68 -1.056 -5.052 5.025 1.00 0.00 O ATOM 896 CB VAL A 68 -1.304 -4.681 2.223 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.315 -5.774 2.536 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.471 -4.181 0.796 1.00 0.00 C ATOM 0 H VAL A 68 0.624 -3.166 3.111 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.284 -2.892 2.929 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.305 -5.105 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.204 -6.588 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.143 -6.151 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.324 -5.367 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.372 -5.017 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.457 -3.730 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.704 -3.437 0.579 1.00 0.00 H new ATOM 908 N GLU A 69 -2.624 -3.469 5.337 1.00 0.00 N ATOM 909 CA GLU A 69 -2.959 -3.913 6.685 1.00 0.00 C ATOM 910 C GLU A 69 -3.934 -5.086 6.645 1.00 0.00 C ATOM 911 O GLU A 69 -5.071 -4.978 7.101 1.00 0.00 O ATOM 912 CB GLU A 69 -3.565 -2.760 7.489 1.00 0.00 C ATOM 913 CG GLU A 69 -2.532 -1.928 8.232 1.00 0.00 C ATOM 914 CD GLU A 69 -2.036 -2.607 9.494 1.00 0.00 C ATOM 915 OE1 GLU A 69 -2.713 -2.490 10.537 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.970 -3.255 9.438 1.00 0.00 O ATOM 0 H GLU A 69 -3.160 -2.664 5.012 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.040 -4.243 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.124 -2.112 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.279 -3.164 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.686 -1.732 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.966 -0.962 8.490 1.00 0.00 H new ATOM 923 N GLY A 70 -3.479 -6.207 6.094 1.00 0.00 N ATOM 924 CA GLY A 70 -4.322 -7.385 6.004 1.00 0.00 C ATOM 925 C GLY A 70 -3.922 -8.462 6.993 1.00 0.00 C ATOM 926 O GLY A 70 -2.927 -8.341 7.706 1.00 0.00 O ATOM 0 H GLY A 70 -2.542 -6.321 5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.359 -7.100 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.271 -7.788 4.993 1.00 0.00 H new ATOM 930 N PRO A 71 -4.712 -9.545 7.045 1.00 0.00 N ATOM 931 CA PRO A 71 -4.455 -10.669 7.951 1.00 0.00 C ATOM 932 C PRO A 71 -3.220 -11.467 7.549 1.00 0.00 C ATOM 933 O PRO A 71 -2.638 -12.181 8.366 1.00 0.00 O ATOM 934 CB PRO A 71 -5.715 -11.528 7.816 1.00 0.00 C ATOM 935 CG PRO A 71 -6.253 -11.202 6.466 1.00 0.00 C ATOM 936 CD PRO A 71 -5.915 -9.757 6.223 1.00 0.00 C ATOM 0 HA PRO A 71 -4.257 -10.335 8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.482 -12.589 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.438 -11.295 8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.807 -11.841 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.330 -11.363 6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.721 -9.562 5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.729 -9.098 6.525 1.00 0.00 H new ATOM 944 N CYS A 72 -2.825 -11.342 6.287 1.00 0.00 N ATOM 945 CA CYS A 72 -1.659 -12.053 5.776 1.00 0.00 C ATOM 946 C CYS A 72 -0.634 -11.078 5.207 1.00 0.00 C ATOM 947 O CYS A 72 -0.827 -9.863 5.252 1.00 0.00 O ATOM 948 CB CYS A 72 -2.077 -13.057 4.701 1.00 0.00 C ATOM 949 SG CYS A 72 -3.559 -12.580 3.783 1.00 0.00 S ATOM 0 H CYS A 72 -3.295 -10.755 5.599 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.201 -12.591 6.606 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.253 -13.185 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.249 -14.025 5.171 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.075 -13.630 3.216 1.00 0.00 H new ATOM 955 N GLU A 73 0.457 -11.618 4.673 1.00 0.00 N ATOM 956 CA GLU A 73 1.514 -10.794 4.097 1.00 0.00 C ATOM 957 C GLU A 73 1.458 -10.825 2.572 1.00 0.00 C ATOM 958 O GLU A 73 2.119 -11.643 1.933 1.00 0.00 O ATOM 959 CB GLU A 73 2.885 -11.275 4.578 1.00 0.00 C ATOM 960 CG GLU A 73 4.048 -10.597 3.874 1.00 0.00 C ATOM 961 CD GLU A 73 5.395 -11.090 4.366 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.639 -11.027 5.589 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.205 -11.539 3.528 1.00 0.00 O ATOM 0 H GLU A 73 0.632 -12.622 4.627 1.00 0.00 H new ATOM 0 HA GLU A 73 1.360 -9.767 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.967 -11.098 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.957 -12.352 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.971 -10.773 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.982 -9.520 4.026 1.00 0.00 H new ATOM 970 N ALA A 74 0.663 -9.928 1.997 1.00 0.00 N ATOM 971 CA ALA A 74 0.522 -9.851 0.548 1.00 0.00 C ATOM 972 C ALA A 74 1.631 -9.006 -0.068 1.00 0.00 C ATOM 973 O ALA A 74 1.986 -7.950 0.457 1.00 0.00 O ATOM 974 CB ALA A 74 -0.842 -9.285 0.181 1.00 0.00 C ATOM 0 H ALA A 74 0.107 -9.245 2.512 1.00 0.00 H new ATOM 0 HA ALA A 74 0.605 -10.860 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.934 -9.233 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.624 -9.931 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.946 -8.285 0.603 1.00 0.00 H new ATOM 980 N LYS A 75 2.178 -9.478 -1.183 1.00 0.00 N ATOM 981 CA LYS A 75 3.247 -8.766 -1.872 1.00 0.00 C ATOM 982 C LYS A 75 2.717 -7.502 -2.541 1.00 0.00 C ATOM 983 O LYS A 75 1.547 -7.432 -2.918 1.00 0.00 O ATOM 984 CB LYS A 75 3.901 -9.673 -2.917 1.00 0.00 C ATOM 985 CG LYS A 75 5.292 -9.223 -3.328 1.00 0.00 C ATOM 986 CD LYS A 75 6.329 -9.586 -2.278 1.00 0.00 C ATOM 987 CE LYS A 75 6.800 -11.024 -2.433 1.00 0.00 C ATOM 988 NZ LYS A 75 5.774 -11.997 -1.965 1.00 0.00 N ATOM 0 H LYS A 75 1.898 -10.352 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 75 3.993 -8.478 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.959 -10.687 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.265 -9.712 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.559 -9.685 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.295 -8.144 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.182 -8.912 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.906 -9.446 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.034 -11.219 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.721 -11.167 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.245 -12.838 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.187 -11.555 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.172 -12.278 -2.765 1.00 0.00 H new ATOM 1002 N ILE A 76 3.585 -6.506 -2.687 1.00 0.00 N ATOM 1003 CA ILE A 76 3.204 -5.247 -3.313 1.00 0.00 C ATOM 1004 C ILE A 76 4.265 -4.782 -4.304 1.00 0.00 C ATOM 1005 O ILE A 76 5.452 -4.742 -3.983 1.00 0.00 O ATOM 1006 CB ILE A 76 2.978 -4.142 -2.263 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.010 -4.626 -1.182 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.451 -2.879 -2.928 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.001 -3.754 0.054 1.00 0.00 C ATOM 0 H ILE A 76 4.557 -6.547 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 76 2.270 -5.429 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 76 3.932 -3.909 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.003 -4.664 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.276 -5.644 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.296 -2.108 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.174 -2.527 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.505 -3.096 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.292 -4.156 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.998 -3.736 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.706 -2.741 -0.218 1.00 0.00 H new ATOM 1021 N GLU A 77 3.828 -4.430 -5.509 1.00 0.00 N ATOM 1022 CA GLU A 77 4.742 -3.967 -6.547 1.00 0.00 C ATOM 1023 C GLU A 77 4.319 -2.597 -7.072 1.00 0.00 C ATOM 1024 O GLU A 77 3.380 -2.486 -7.862 1.00 0.00 O ATOM 1025 CB GLU A 77 4.793 -4.973 -7.699 1.00 0.00 C ATOM 1026 CG GLU A 77 5.850 -6.050 -7.519 1.00 0.00 C ATOM 1027 CD GLU A 77 7.230 -5.589 -7.945 1.00 0.00 C ATOM 1028 OE1 GLU A 77 7.892 -4.885 -7.155 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.649 -5.933 -9.071 1.00 0.00 O ATOM 0 H GLU A 77 2.848 -4.456 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 77 5.736 -3.878 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.817 -5.447 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.986 -4.438 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.879 -6.354 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.570 -6.930 -8.099 1.00 0.00 H new ATOM 1036 N CYS A 78 5.017 -1.559 -6.628 1.00 0.00 N ATOM 1037 CA CYS A 78 4.715 -0.196 -7.051 1.00 0.00 C ATOM 1038 C CYS A 78 5.512 0.176 -8.297 1.00 0.00 C ATOM 1039 O CYS A 78 6.725 -0.025 -8.353 1.00 0.00 O ATOM 1040 CB CYS A 78 5.019 0.790 -5.922 1.00 0.00 C ATOM 1041 SG CYS A 78 6.772 0.906 -5.496 1.00 0.00 S ATOM 0 H CYS A 78 5.797 -1.635 -5.975 1.00 0.00 H new ATOM 0 HA CYS A 78 3.653 -0.144 -7.292 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.660 1.778 -6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.459 0.494 -5.035 1.00 0.00 H new ATOM 0 HG CYS A 78 7.492 0.560 -6.522 1.00 0.00 H new ATOM 1047 N SER A 79 4.821 0.718 -9.295 1.00 0.00 N ATOM 1048 CA SER A 79 5.464 1.113 -10.543 1.00 0.00 C ATOM 1049 C SER A 79 4.942 2.465 -11.018 1.00 0.00 C ATOM 1050 O SER A 79 3.749 2.753 -10.917 1.00 0.00 O ATOM 1051 CB SER A 79 5.226 0.054 -11.621 1.00 0.00 C ATOM 1052 OG SER A 79 5.893 0.393 -12.825 1.00 0.00 O ATOM 0 H SER A 79 3.817 0.894 -9.264 1.00 0.00 H new ATOM 0 HA SER A 79 6.535 1.200 -10.360 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.578 -0.915 -11.267 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.157 -0.044 -11.809 1.00 0.00 H new ATOM 0 HG SER A 79 5.727 -0.300 -13.497 1.00 0.00 H new ATOM 1058 N ASP A 80 5.844 3.291 -11.536 1.00 0.00 N ATOM 1059 CA ASP A 80 5.476 4.614 -12.029 1.00 0.00 C ATOM 1060 C ASP A 80 5.123 4.563 -13.512 1.00 0.00 C ATOM 1061 O ASP A 80 5.567 3.672 -14.235 1.00 0.00 O ATOM 1062 CB ASP A 80 6.619 5.604 -11.798 1.00 0.00 C ATOM 1063 CG ASP A 80 7.764 5.404 -12.771 1.00 0.00 C ATOM 1064 OD1 ASP A 80 7.738 6.028 -13.853 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.685 4.622 -12.452 1.00 0.00 O ATOM 0 H ASP A 80 6.835 3.068 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 80 4.598 4.949 -11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.239 6.621 -11.893 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.989 5.495 -10.779 1.00 0.00 H new ATOM 1070 N ASN A 81 4.320 5.523 -13.957 1.00 0.00 N ATOM 1071 CA ASN A 81 3.905 5.587 -15.354 1.00 0.00 C ATOM 1072 C ASN A 81 4.688 6.660 -16.106 1.00 0.00 C ATOM 1073 O ASN A 81 5.131 6.444 -17.233 1.00 0.00 O ATOM 1074 CB ASN A 81 2.405 5.872 -15.450 1.00 0.00 C ATOM 1075 CG ASN A 81 1.566 4.758 -14.854 1.00 0.00 C ATOM 1076 OD1 ASN A 81 0.681 5.115 -13.930 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 1.711 3.592 -15.220 1.00 0.00 N flip ATOM 0 H ASN A 81 3.943 6.268 -13.371 1.00 0.00 H new ATOM 0 HA ASN A 81 4.114 4.621 -15.814 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.182 6.807 -14.935 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.130 6.010 -16.496 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.404 3.364 -15.933 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.139 2.854 -14.810 1.00 0.00 H new ATOM 1084 N GLY A 82 4.853 7.817 -15.472 1.00 0.00 N ATOM 1085 CA GLY A 82 5.582 8.906 -16.095 1.00 0.00 C ATOM 1086 C GLY A 82 4.714 10.127 -16.325 1.00 0.00 C ATOM 1087 O GLY A 82 5.216 11.250 -16.394 1.00 0.00 O ATOM 0 H GLY A 82 4.495 8.019 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.429 9.179 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.989 8.568 -17.048 1.00 0.00 H new ATOM 1091 N ASP A 83 3.410 9.910 -16.446 1.00 0.00 N ATOM 1092 CA ASP A 83 2.470 11.002 -16.671 1.00 0.00 C ATOM 1093 C ASP A 83 1.882 11.493 -15.352 1.00 0.00 C ATOM 1094 O ASP A 83 0.773 12.024 -15.315 1.00 0.00 O ATOM 1095 CB ASP A 83 1.348 10.553 -17.609 1.00 0.00 C ATOM 1096 CG ASP A 83 0.566 11.721 -18.177 1.00 0.00 C ATOM 1097 OD1 ASP A 83 1.082 12.857 -18.134 1.00 0.00 O ATOM 1098 OD2 ASP A 83 -0.563 11.499 -18.663 1.00 0.00 O ATOM 0 H ASP A 83 2.979 8.987 -16.392 1.00 0.00 H new ATOM 0 HA ASP A 83 3.012 11.826 -17.135 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.773 9.972 -18.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.669 9.893 -17.069 1.00 0.00 H new ATOM 1103 N GLY A 84 2.632 11.310 -14.270 1.00 0.00 N ATOM 1104 CA GLY A 84 2.168 11.738 -12.964 1.00 0.00 C ATOM 1105 C GLY A 84 1.163 10.776 -12.362 1.00 0.00 C ATOM 1106 O GLY A 84 0.311 11.174 -11.566 1.00 0.00 O ATOM 0 H GLY A 84 3.553 10.873 -14.275 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.021 11.835 -12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.715 12.726 -13.048 1.00 0.00 H new ATOM 1110 N THR A 85 1.259 9.506 -12.743 1.00 0.00 N ATOM 1111 CA THR A 85 0.349 8.486 -12.238 1.00 0.00 C ATOM 1112 C THR A 85 1.114 7.262 -11.746 1.00 0.00 C ATOM 1113 O THR A 85 2.236 7.003 -12.183 1.00 0.00 O ATOM 1114 CB THR A 85 -0.658 8.047 -13.317 1.00 0.00 C ATOM 1115 OG1 THR A 85 0.032 7.730 -14.531 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.680 9.143 -13.581 1.00 0.00 C ATOM 0 H THR A 85 1.958 9.159 -13.400 1.00 0.00 H new ATOM 0 HA THR A 85 -0.194 8.932 -11.405 1.00 0.00 H new ATOM 0 HB THR A 85 -1.182 7.162 -12.955 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.137 6.758 -14.603 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.381 8.810 -14.347 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.224 9.362 -12.662 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.169 10.043 -13.924 1.00 0.00 H new ATOM 1124 N CYS A 86 0.501 6.514 -10.836 1.00 0.00 N ATOM 1125 CA CYS A 86 1.125 5.317 -10.284 1.00 0.00 C ATOM 1126 C CYS A 86 0.165 4.133 -10.329 1.00 0.00 C ATOM 1127 O CYS A 86 -1.040 4.291 -10.134 1.00 0.00 O ATOM 1128 CB CYS A 86 1.576 5.568 -8.845 1.00 0.00 C ATOM 1129 SG CYS A 86 2.962 6.721 -8.696 1.00 0.00 S ATOM 0 H CYS A 86 -0.427 6.715 -10.465 1.00 0.00 H new ATOM 0 HA CYS A 86 1.997 5.079 -10.894 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.732 5.955 -8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.858 4.617 -8.393 1.00 0.00 H new ATOM 0 HG CYS A 86 3.269 6.870 -7.442 1.00 0.00 H new ATOM 1135 N SER A 87 0.707 2.947 -10.589 1.00 0.00 N ATOM 1136 CA SER A 87 -0.103 1.737 -10.665 1.00 0.00 C ATOM 1137 C SER A 87 0.484 0.634 -9.789 1.00 0.00 C ATOM 1138 O SER A 87 1.328 -0.144 -10.232 1.00 0.00 O ATOM 1139 CB SER A 87 -0.202 1.254 -12.114 1.00 0.00 C ATOM 1140 OG SER A 87 -1.039 0.116 -12.216 1.00 0.00 O ATOM 0 H SER A 87 1.703 2.799 -10.750 1.00 0.00 H new ATOM 0 HA SER A 87 -1.102 1.975 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.594 2.055 -12.742 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.793 1.013 -12.489 1.00 0.00 H new ATOM 0 HG SER A 87 -0.536 -0.684 -11.958 1.00 0.00 H new ATOM 1146 N VAL A 88 0.030 0.575 -8.541 1.00 0.00 N ATOM 1147 CA VAL A 88 0.508 -0.432 -7.601 1.00 0.00 C ATOM 1148 C VAL A 88 -0.283 -1.729 -7.735 1.00 0.00 C ATOM 1149 O VAL A 88 -1.514 -1.718 -7.748 1.00 0.00 O ATOM 1150 CB VAL A 88 0.412 0.067 -6.147 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.050 -0.933 -5.195 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.062 1.435 -6.010 1.00 0.00 C ATOM 0 H VAL A 88 -0.668 1.212 -8.158 1.00 0.00 H new ATOM 0 HA VAL A 88 1.554 -0.621 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.641 0.162 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.972 -0.563 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.535 -1.890 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.101 -1.063 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.985 1.772 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.113 1.369 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.555 2.146 -6.662 1.00 0.00 H new ATOM 1162 N SER A 89 0.433 -2.844 -7.834 1.00 0.00 N ATOM 1163 CA SER A 89 -0.202 -4.150 -7.971 1.00 0.00 C ATOM 1164 C SER A 89 0.168 -5.059 -6.803 1.00 0.00 C ATOM 1165 O SER A 89 1.340 -5.183 -6.446 1.00 0.00 O ATOM 1166 CB SER A 89 0.208 -4.805 -9.291 1.00 0.00 C ATOM 1167 OG SER A 89 1.605 -4.693 -9.504 1.00 0.00 O ATOM 0 H SER A 89 1.453 -2.870 -7.822 1.00 0.00 H new ATOM 0 HA SER A 89 -1.282 -4.003 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.079 -5.857 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.328 -4.335 -10.116 1.00 0.00 H new ATOM 0 HG SER A 89 1.842 -5.121 -10.353 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.839 -5.692 -6.212 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.621 -6.587 -5.082 1.00 0.00 C ATOM 1175 C TYR A 90 -1.207 -7.968 -5.361 1.00 0.00 C ATOM 1176 O TYR A 90 -2.242 -8.096 -6.017 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.245 -6.003 -3.813 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.757 -6.019 -3.819 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.479 -4.967 -4.370 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.463 -7.084 -3.274 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.861 -4.977 -4.377 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.844 -7.102 -3.278 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.538 -6.046 -3.830 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.914 -6.060 -3.835 1.00 0.00 O ATOM 0 H TYR A 90 -1.814 -5.602 -6.497 1.00 0.00 H new ATOM 0 HA TYR A 90 0.454 -6.690 -4.935 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.888 -6.565 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.901 -4.976 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.952 -4.128 -4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.923 -7.912 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.408 -4.152 -4.809 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.377 -7.938 -2.851 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.249 -5.164 -4.049 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.539 -9.000 -4.858 1.00 0.00 N ATOM 1195 CA LEU A 91 -0.992 -10.373 -5.051 1.00 0.00 C ATOM 1196 C LEU A 91 -1.348 -11.021 -3.717 1.00 0.00 C ATOM 1197 O LEU A 91 -0.479 -11.416 -2.939 1.00 0.00 O ATOM 1198 CB LEU A 91 0.089 -11.193 -5.757 1.00 0.00 C ATOM 1199 CG LEU A 91 0.010 -11.235 -7.283 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.396 -11.403 -7.885 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.911 -12.357 -7.739 1.00 0.00 C ATOM 0 H LEU A 91 0.319 -8.912 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.887 -10.351 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.063 -10.793 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.044 -12.216 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.403 -10.289 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.320 -11.431 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.026 -10.565 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.837 -12.334 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.955 -12.372 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.528 -13.312 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.911 -12.193 -7.338 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.657 -11.137 -3.446 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.158 -11.740 -2.207 1.00 0.00 C ATOM 1215 C PRO A 92 -2.914 -13.245 -2.155 1.00 0.00 C ATOM 1216 O PRO A 92 -2.466 -13.846 -3.131 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.659 -11.443 -2.251 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.973 -11.291 -3.699 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.747 -10.689 -4.328 1.00 0.00 C ATOM 0 HA PRO A 92 -2.656 -11.340 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.236 -12.252 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.899 -10.536 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.210 -12.255 -4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.842 -10.649 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.606 -11.040 -5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.809 -9.602 -4.370 1.00 0.00 H new ATOM 1227 N THR A 93 -3.212 -13.848 -1.008 1.00 0.00 N ATOM 1228 CA THR A 93 -3.025 -15.282 -0.828 1.00 0.00 C ATOM 1229 C THR A 93 -4.324 -15.958 -0.405 1.00 0.00 C ATOM 1230 O THR A 93 -4.558 -17.126 -0.715 1.00 0.00 O ATOM 1231 CB THR A 93 -1.939 -15.579 0.223 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.650 -16.982 0.246 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.385 -15.125 1.605 1.00 0.00 C ATOM 0 H THR A 93 -3.584 -13.365 -0.190 1.00 0.00 H new ATOM 0 HA THR A 93 -2.708 -15.682 -1.791 1.00 0.00 H new ATOM 0 HB THR A 93 -1.039 -15.028 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.958 -17.162 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.602 -15.345 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.576 -14.052 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.297 -15.652 1.884 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.168 -15.216 0.304 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.446 -15.742 0.768 1.00 0.00 C ATOM 1243 C LYS A 94 -7.543 -14.688 0.652 1.00 0.00 C ATOM 1244 O LYS A 94 -7.306 -13.491 0.814 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.329 -16.214 2.219 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.219 -17.226 2.442 1.00 0.00 C ATOM 1247 CD LYS A 94 -4.849 -17.333 3.912 1.00 0.00 C ATOM 1248 CE LYS A 94 -5.887 -18.124 4.692 1.00 0.00 C ATOM 1249 NZ LYS A 94 -5.645 -19.591 4.610 1.00 0.00 N ATOM 0 H LYS A 94 -4.990 -14.248 0.570 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.713 -16.589 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.156 -15.350 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.278 -16.654 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.536 -18.202 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.341 -16.937 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.875 -17.814 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.755 -16.334 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.872 -17.812 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.881 -17.898 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.374 -20.094 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.684 -19.894 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.707 -19.811 5.002 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.772 -15.142 0.366 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.930 -14.254 0.225 1.00 0.00 C ATOM 1265 C PRO A 95 -10.358 -13.642 1.554 1.00 0.00 C ATOM 1266 O PRO A 95 -11.030 -14.288 2.358 1.00 0.00 O ATOM 1267 CB PRO A 95 -11.023 -15.180 -0.314 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.630 -16.540 0.150 1.00 0.00 C ATOM 1269 CD PRO A 95 -9.127 -16.556 0.161 1.00 0.00 C ATOM 0 HA PRO A 95 -9.715 -13.404 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.004 -14.899 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.080 -15.134 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.030 -16.744 1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.023 -17.308 -0.516 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.738 -17.188 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.722 -16.940 -0.775 1.00 0.00 H new ATOM 1277 N GLY A 96 -9.964 -12.393 1.780 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.317 -11.715 3.013 1.00 0.00 C ATOM 1279 C GLY A 96 -10.536 -10.228 2.816 1.00 0.00 C ATOM 1280 O GLY A 96 -11.356 -9.819 1.994 1.00 0.00 O ATOM 0 H GLY A 96 -9.406 -11.838 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.223 -12.161 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.526 -11.868 3.747 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.803 -9.417 3.572 1.00 0.00 N ATOM 1285 CA GLU A 97 -9.924 -7.967 3.477 1.00 0.00 C ATOM 1286 C GLU A 97 -8.560 -7.297 3.613 1.00 0.00 C ATOM 1287 O GLU A 97 -7.840 -7.523 4.586 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.873 -7.441 4.556 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.336 -7.744 4.280 1.00 0.00 C ATOM 1290 CD GLU A 97 -12.937 -6.820 3.239 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -12.162 -6.180 2.497 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -14.181 -6.737 3.165 1.00 0.00 O ATOM 0 H GLU A 97 -9.119 -9.739 4.257 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.332 -7.725 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.595 -7.876 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.745 -6.362 4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.432 -8.776 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.902 -7.658 5.207 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.212 -6.473 2.631 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.933 -5.772 2.639 1.00 0.00 C ATOM 1301 C TYR A 98 -7.141 -4.261 2.645 1.00 0.00 C ATOM 1302 O TYR A 98 -7.763 -3.704 1.740 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.098 -6.178 1.423 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.848 -7.667 1.331 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -4.822 -8.265 2.052 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -6.637 -8.475 0.523 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -4.589 -9.624 1.970 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -6.413 -9.835 0.435 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.387 -10.405 1.161 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.159 -11.759 1.077 1.00 0.00 O ATOM 0 H TYR A 98 -8.797 -6.274 1.820 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.400 -6.051 3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.605 -5.846 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.140 -5.659 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.196 -7.657 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -7.440 -8.032 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.786 -10.072 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.037 -10.449 -0.198 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.675 -12.059 1.874 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.615 -3.603 3.673 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.742 -2.155 3.799 1.00 0.00 C ATOM 1322 C PHE A 99 -5.477 -1.454 3.312 1.00 0.00 C ATOM 1323 O PHE A 99 -4.430 -1.517 3.958 1.00 0.00 O ATOM 1324 CB PHE A 99 -7.023 -1.772 5.253 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.398 -2.157 5.719 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.747 -3.491 5.862 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.341 -1.187 6.015 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.011 -3.848 6.290 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.607 -1.538 6.444 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.942 -2.871 6.583 1.00 0.00 C ATOM 0 H PHE A 99 -6.097 -4.049 4.430 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.577 -1.833 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.283 -2.249 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.897 -0.695 5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.023 -4.260 5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.084 -0.143 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.271 -4.891 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.333 -0.771 6.670 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.930 -3.148 6.920 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.581 -0.786 2.168 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.447 -0.072 1.594 1.00 0.00 C ATOM 1342 C VAL A 100 -4.272 1.296 2.244 1.00 0.00 C ATOM 1343 O VAL A 100 -5.021 2.230 1.962 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.612 0.113 0.073 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.378 0.774 -0.521 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.887 -1.224 -0.599 1.00 0.00 C ATOM 0 H VAL A 100 -6.439 -0.724 1.620 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.562 -0.678 1.786 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.466 0.766 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.513 0.897 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.231 1.751 -0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.505 0.149 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.001 -1.075 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.055 -1.903 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.803 -1.654 -0.193 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.276 1.406 3.118 1.00 0.00 N ATOM 1357 CA ASN A 101 -3.002 2.660 3.810 1.00 0.00 C ATOM 1358 C ASN A 101 -2.229 3.620 2.910 1.00 0.00 C ATOM 1359 O ASN A 101 -1.046 3.413 2.636 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.210 2.396 5.093 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.990 1.564 6.092 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.512 2.086 7.078 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.073 0.263 5.842 1.00 0.00 N ATOM 0 H ASN A 101 -2.646 0.642 3.363 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.956 3.120 4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.281 1.884 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.937 3.347 5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.585 -0.347 6.479 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.625 -0.127 5.013 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.905 4.669 2.455 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.281 5.661 1.589 1.00 0.00 C ATOM 1372 C ILE A 102 -2.060 6.976 2.328 1.00 0.00 C ATOM 1373 O ILE A 102 -3.014 7.673 2.678 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.133 5.928 0.334 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.313 4.639 -0.471 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.491 7.009 -0.523 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.328 4.760 -1.586 1.00 0.00 C ATOM 0 H ILE A 102 -3.884 4.854 2.672 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.318 5.252 1.285 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.116 6.278 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.352 4.348 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.619 3.839 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.105 7.186 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.410 7.930 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.497 6.686 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.404 3.809 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.300 5.021 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.013 5.537 -2.282 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.796 7.311 2.563 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.448 8.545 3.261 1.00 0.00 C ATOM 1391 C LEU A 103 0.659 9.292 2.525 1.00 0.00 C ATOM 1392 O LEU A 103 1.686 8.711 2.172 1.00 0.00 O ATOM 1393 CB LEU A 103 -0.008 8.238 4.693 1.00 0.00 C ATOM 1394 CG LEU A 103 0.637 6.870 4.918 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.135 6.937 4.661 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.358 6.374 6.330 1.00 0.00 C ATOM 0 H LEU A 103 0.005 6.746 2.281 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.333 9.180 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.698 9.007 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.878 8.319 5.344 1.00 0.00 H new ATOM 0 HG LEU A 103 0.199 6.163 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.577 5.954 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.314 7.247 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.589 7.658 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.825 5.399 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.768 7.081 7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.718 6.286 6.479 1.00 0.00 H new ATOM 1408 N PHE A 104 0.446 10.584 2.300 1.00 0.00 N ATOM 1409 CA PHE A 104 1.427 11.412 1.607 1.00 0.00 C ATOM 1410 C PHE A 104 2.218 12.261 2.598 1.00 0.00 C ATOM 1411 O PHE A 104 1.670 13.158 3.238 1.00 0.00 O ATOM 1412 CB PHE A 104 0.733 12.314 0.585 1.00 0.00 C ATOM 1413 CG PHE A 104 1.590 12.641 -0.605 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.265 11.641 -1.285 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.722 13.950 -1.041 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.054 11.938 -2.381 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.509 14.253 -2.136 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.177 13.246 -2.806 1.00 0.00 C ATOM 0 H PHE A 104 -0.397 11.081 2.587 1.00 0.00 H new ATOM 0 HA PHE A 104 2.121 10.752 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.180 11.826 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.435 13.241 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.174 10.617 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.204 14.742 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.573 11.148 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.602 15.277 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.794 13.481 -3.660 1.00 0.00 H new ATOM 1428 N GLU A 105 3.509 11.970 2.719 1.00 0.00 N ATOM 1429 CA GLU A 105 4.375 12.705 3.633 1.00 0.00 C ATOM 1430 C GLU A 105 3.882 12.578 5.071 1.00 0.00 C ATOM 1431 O GLU A 105 3.876 13.551 5.824 1.00 0.00 O ATOM 1432 CB GLU A 105 4.440 14.181 3.233 1.00 0.00 C ATOM 1433 CG GLU A 105 5.351 14.451 2.047 1.00 0.00 C ATOM 1434 CD GLU A 105 5.981 15.829 2.097 1.00 0.00 C ATOM 1435 OE1 GLU A 105 5.551 16.647 2.937 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.903 16.090 1.297 1.00 0.00 O ATOM 0 H GLU A 105 3.978 11.231 2.196 1.00 0.00 H new ATOM 0 HA GLU A 105 5.374 12.274 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.435 14.529 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.785 14.765 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.138 13.697 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.779 14.350 1.124 1.00 0.00 H new ATOM 1443 N GLU A 106 3.467 11.371 5.444 1.00 0.00 N ATOM 1444 CA GLU A 106 2.971 11.117 6.791 1.00 0.00 C ATOM 1445 C GLU A 106 1.586 11.728 6.984 1.00 0.00 C ATOM 1446 O GLU A 106 1.205 12.091 8.097 1.00 0.00 O ATOM 1447 CB GLU A 106 3.940 11.684 7.831 1.00 0.00 C ATOM 1448 CG GLU A 106 5.398 11.379 7.534 1.00 0.00 C ATOM 1449 CD GLU A 106 6.243 11.287 8.790 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.218 10.226 9.446 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.929 12.279 9.116 1.00 0.00 O ATOM 0 H GLU A 106 3.465 10.555 4.832 1.00 0.00 H new ATOM 0 HA GLU A 106 2.896 10.038 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.808 12.764 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.685 11.280 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.464 10.439 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.803 12.155 6.885 1.00 0.00 H new ATOM 1458 N VAL A 107 0.837 11.839 5.892 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.506 12.405 5.940 1.00 0.00 C ATOM 1460 C VAL A 107 -1.511 11.496 5.242 1.00 0.00 C ATOM 1461 O VAL A 107 -1.499 11.364 4.017 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.551 13.799 5.287 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.842 14.518 5.650 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.661 14.621 5.701 1.00 0.00 C ATOM 0 H VAL A 107 1.137 11.544 4.963 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.774 12.496 6.993 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.525 13.675 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.856 15.501 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.694 13.936 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.903 14.633 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.613 15.603 5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.668 14.738 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.571 14.112 5.385 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.382 10.871 6.028 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.396 9.974 5.485 1.00 0.00 C ATOM 1476 C HIS A 108 -4.313 10.714 4.517 1.00 0.00 C ATOM 1477 O HIS A 108 -4.984 11.676 4.894 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.219 9.357 6.615 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.658 8.067 7.130 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.189 6.835 6.810 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.606 7.822 7.945 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.488 5.888 7.407 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.521 6.460 8.102 1.00 0.00 N ATOM 0 H HIS A 108 -2.406 10.969 7.043 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.888 9.178 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.283 10.070 7.437 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.236 9.186 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.954 8.560 8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.674 4.826 7.339 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.825 5.970 8.664 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.338 10.261 3.268 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.173 10.880 2.247 1.00 0.00 C ATOM 1494 C ILE A 109 -6.654 10.664 2.542 1.00 0.00 C ATOM 1495 O ILE A 109 -7.050 9.682 3.171 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.854 10.326 0.846 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.244 8.849 0.756 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.378 10.509 0.527 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.655 8.416 -0.633 1.00 0.00 C ATOM 0 H ILE A 109 -3.789 9.467 2.939 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.953 11.947 2.265 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.436 10.882 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.402 8.239 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.065 8.656 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.169 10.112 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.129 11.570 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.778 9.976 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.918 7.358 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.516 9.000 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.828 8.577 -1.324 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.493 11.600 2.076 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.944 11.533 2.276 1.00 0.00 C ATOM 1513 C PRO A 110 -9.589 10.413 1.467 1.00 0.00 C ATOM 1514 O PRO A 110 -10.111 10.643 0.377 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.433 12.898 1.785 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.397 13.344 0.812 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.091 12.797 1.318 1.00 0.00 C ATOM 0 HA PRO A 110 -9.203 11.320 3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.412 12.821 1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.531 13.604 2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.615 12.971 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.365 14.432 0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.416 12.546 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.572 13.517 1.950 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.549 9.199 2.008 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.134 8.062 1.322 1.00 0.00 C ATOM 1527 C GLY A 111 -9.491 6.749 1.724 1.00 0.00 C ATOM 1528 O GLY A 111 -10.016 5.676 1.427 1.00 0.00 O ATOM 0 H GLY A 111 -9.122 8.983 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.202 8.021 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.031 8.199 0.246 1.00 0.00 H new ATOM 1532 N SER A 112 -8.349 6.834 2.400 1.00 0.00 N ATOM 1533 CA SER A 112 -7.630 5.643 2.838 1.00 0.00 C ATOM 1534 C SER A 112 -7.827 5.409 4.333 1.00 0.00 C ATOM 1535 O SER A 112 -8.102 6.331 5.101 1.00 0.00 O ATOM 1536 CB SER A 112 -6.139 5.778 2.524 1.00 0.00 C ATOM 1537 OG SER A 112 -5.436 6.343 3.617 1.00 0.00 O ATOM 0 H SER A 112 -7.902 7.715 2.656 1.00 0.00 H new ATOM 0 HA SER A 112 -8.032 4.786 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.724 4.798 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.005 6.402 1.640 1.00 0.00 H new ATOM 0 HG SER A 112 -4.625 6.785 3.291 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.684 4.145 4.757 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.358 3.038 3.852 1.00 0.00 C ATOM 1545 C PRO A 113 -8.511 2.697 2.914 1.00 0.00 C ATOM 1546 O PRO A 113 -9.612 3.232 3.048 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.079 1.872 4.803 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.847 2.198 6.037 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.830 3.697 6.152 1.00 0.00 C ATOM 0 HA PRO A 113 -6.521 3.280 3.197 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.404 0.924 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.013 1.778 5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.868 1.823 5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.393 1.734 6.913 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.748 4.076 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.004 4.043 6.774 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.252 1.804 1.966 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.269 1.391 1.005 1.00 0.00 C ATOM 1559 C PHE A 114 -9.529 -0.109 1.099 1.00 0.00 C ATOM 1560 O PHE A 114 -8.844 -0.911 0.463 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.837 1.758 -0.416 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.930 3.228 -0.711 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.915 4.090 -0.331 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.034 3.747 -1.368 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -7.997 5.443 -0.601 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.122 5.099 -1.641 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.103 5.948 -1.256 1.00 0.00 C ATOM 0 H PHE A 114 -7.346 1.352 1.842 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.193 1.917 1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.809 1.429 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.457 1.213 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.049 3.700 0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.834 3.088 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.198 6.104 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.987 5.491 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.171 7.005 -1.467 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.524 -0.482 1.897 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.877 -1.886 2.075 1.00 0.00 C ATOM 1579 C LYS A 115 -11.213 -2.537 0.737 1.00 0.00 C ATOM 1580 O LYS A 115 -12.131 -2.106 0.040 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.066 -2.017 3.030 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.375 -3.451 3.423 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.537 -3.523 4.400 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.863 -3.246 3.709 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.914 -2.822 4.675 1.00 0.00 N ATOM 0 H LYS A 115 -11.100 0.168 2.431 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.016 -2.399 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.863 -1.438 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.948 -1.579 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.612 -4.031 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.492 -3.905 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.565 -4.510 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.385 -2.800 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.725 -2.468 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.193 -4.142 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.802 -2.643 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.064 -3.574 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.611 -1.952 5.158 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.464 -3.576 0.385 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.685 -4.288 -0.867 1.00 0.00 C ATOM 1601 C ALA A 116 -11.102 -5.733 -0.612 1.00 0.00 C ATOM 1602 O ALA A 116 -10.286 -6.563 -0.212 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.430 -4.244 -1.728 1.00 0.00 C ATOM 0 H ALA A 116 -9.698 -3.944 0.950 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.496 -3.792 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.609 -4.780 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.176 -3.207 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.605 -4.714 -1.193 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.377 -6.025 -0.844 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.903 -7.369 -0.640 1.00 0.00 C ATOM 1611 C ASP A 117 -12.470 -8.300 -1.768 1.00 0.00 C ATOM 1612 O ASP A 117 -12.882 -8.132 -2.916 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.429 -7.334 -0.548 1.00 0.00 C ATOM 1614 CG ASP A 117 -14.989 -8.499 0.246 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -15.059 -8.391 1.488 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.357 -9.517 -0.375 1.00 0.00 O ATOM 0 H ASP A 117 -13.065 -5.348 -1.174 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.499 -7.752 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.741 -6.398 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.851 -7.347 -1.553 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.637 -9.279 -1.434 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.149 -10.236 -2.419 1.00 0.00 C ATOM 1623 C ILE A 118 -11.970 -11.521 -2.392 1.00 0.00 C ATOM 1624 O ILE A 118 -12.399 -11.971 -1.331 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.667 -10.582 -2.181 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.805 -9.321 -2.272 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.198 -11.624 -3.186 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.647 -8.798 -3.682 1.00 0.00 C ATOM 0 H ILE A 118 -11.286 -9.431 -0.488 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.251 -9.763 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.563 -10.999 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.248 -8.542 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.819 -9.534 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.149 -11.858 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.796 -12.529 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.313 -11.232 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.024 -7.903 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.175 -9.560 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.627 -8.553 -4.091 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.182 -12.106 -3.567 1.00 0.00 N ATOM 1641 CA GLU A 119 -12.951 -13.340 -3.677 1.00 0.00 C ATOM 1642 C GLU A 119 -12.146 -14.421 -4.391 1.00 0.00 C ATOM 1643 O GLU A 119 -11.106 -14.143 -4.988 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.261 -13.085 -4.426 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.168 -12.076 -3.742 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.357 -11.687 -4.598 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.220 -10.755 -5.418 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.426 -12.315 -4.447 1.00 0.00 O ATOM 0 H GLU A 119 -11.832 -11.746 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.179 -13.687 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.032 -12.732 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.797 -14.028 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.524 -12.493 -2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.593 -11.183 -3.498 1.00 0.00 H new ATOM 1655 N MET A 120 -12.633 -15.655 -4.323 1.00 0.00 N ATOM 1656 CA MET A 120 -11.959 -16.779 -4.964 1.00 0.00 C ATOM 1657 C MET A 120 -12.314 -16.853 -6.446 1.00 0.00 C ATOM 1658 O MET A 120 -13.470 -16.700 -6.840 1.00 0.00 O ATOM 1659 CB MET A 120 -12.337 -18.090 -4.271 1.00 0.00 C ATOM 1660 CG MET A 120 -11.488 -18.397 -3.048 1.00 0.00 C ATOM 1661 SD MET A 120 -9.910 -19.160 -3.471 1.00 0.00 S ATOM 1662 CE MET A 120 -9.357 -19.711 -1.859 1.00 0.00 C ATOM 0 H MET A 120 -13.491 -15.903 -3.831 1.00 0.00 H new ATOM 0 HA MET A 120 -10.884 -16.625 -4.874 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.385 -18.046 -3.974 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.242 -18.909 -4.984 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.305 -17.475 -2.497 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.041 -19.061 -2.384 1.00 0.00 H new ATOM 0 HE1 MET A 120 -8.366 -19.305 -1.656 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.055 -19.364 -1.097 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.313 -20.800 -1.842 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.297 -17.092 -7.287 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.478 -17.192 -8.739 1.00 0.00 C ATOM 1674 C PRO A 121 -12.238 -18.450 -9.143 1.00 0.00 C ATOM 1675 O PRO A 121 -12.080 -19.507 -8.531 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.044 -17.238 -9.272 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.238 -17.784 -8.144 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.894 -17.285 -6.887 1.00 0.00 C ATOM 0 HA PRO A 121 -12.068 -16.365 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.970 -17.873 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.698 -16.246 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.220 -18.874 -8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.203 -17.447 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.804 -18.005 -6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.443 -16.355 -6.541 1.00 0.00 H new