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 :FLIP amide:sc= -0.525 F(o=-5!,f=-1.2) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.691 K(o=-1.2,f=-2!) USER MOD Set 2.1: A 72 CYS SG : rot 140:sc= 0.723 USER MOD Set 2.2: A 93 THR OG1 : rot -165:sc= 0.712 USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -0.171 F(o=0.094!,f=1) USER MOD Set 3.2: A 85 THR OG1 : rot -72:sc= 1.21 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+ -173:sc= 0 (180deg=-0.0148) USER MOD Single : A 37 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -0.753 (180deg=-1.25) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -16:sc= 0.925 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 42:sc= -0.224 USER MOD Single : A 79 SER OG : rot 45:sc= 0.826 USER MOD Single : A 86 CYS SG : rot -63:sc= -0.0851 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 90 TYR OH : rot 165:sc= 0.895 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -25:sc= 0.816 USER MOD Single : A 112 SER OG : rot -155:sc= 0.636 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -104:sc= -1.39 (180deg=-3.14!) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.199 19.173 -0.205 1.00 0.00 N ATOM 363 CA PRO A 29 2.487 17.897 -0.319 1.00 0.00 C ATOM 364 C PRO A 29 1.002 18.031 -0.003 1.00 0.00 C ATOM 365 O PRO A 29 0.615 18.175 1.157 1.00 0.00 O ATOM 366 CB PRO A 29 3.178 17.012 0.722 1.00 0.00 C ATOM 367 CG PRO A 29 3.734 17.966 1.722 1.00 0.00 C ATOM 368 CD PRO A 29 4.112 19.200 0.950 1.00 0.00 C ATOM 0 HA PRO A 29 2.526 17.497 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.473 16.320 1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.966 16.410 0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.998 18.197 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.601 17.541 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.980 20.103 1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.156 19.175 0.638 1.00 0.00 H new ATOM 376 N ASP A 30 0.174 17.982 -1.040 1.00 0.00 N ATOM 377 CA ASP A 30 -1.270 18.096 -0.873 1.00 0.00 C ATOM 378 C ASP A 30 -1.949 16.744 -1.067 1.00 0.00 C ATOM 379 O ASP A 30 -2.374 16.388 -2.167 1.00 0.00 O ATOM 380 CB ASP A 30 -1.841 19.114 -1.861 1.00 0.00 C ATOM 381 CG ASP A 30 -1.229 20.491 -1.692 1.00 0.00 C ATOM 382 OD1 ASP A 30 -0.878 20.849 -0.548 1.00 0.00 O ATOM 383 OD2 ASP A 30 -1.100 21.211 -2.704 1.00 0.00 O ATOM 0 H ASP A 30 0.478 17.864 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.467 18.438 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.667 18.765 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.921 19.180 -1.727 1.00 0.00 H new ATOM 388 N PRO A 31 -2.053 15.971 0.024 1.00 0.00 N ATOM 389 CA PRO A 31 -2.679 14.646 -0.001 1.00 0.00 C ATOM 390 C PRO A 31 -4.187 14.721 -0.212 1.00 0.00 C ATOM 391 O PRO A 31 -4.834 13.713 -0.499 1.00 0.00 O ATOM 392 CB PRO A 31 -2.360 14.076 1.383 1.00 0.00 C ATOM 393 CG PRO A 31 -2.168 15.273 2.250 1.00 0.00 C ATOM 394 CD PRO A 31 -1.569 16.332 1.367 1.00 0.00 C ATOM 0 HA PRO A 31 -2.307 14.036 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.172 13.448 1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.464 13.456 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.117 15.606 2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.510 15.046 3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.897 17.330 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.480 16.328 1.416 1.00 0.00 H new ATOM 402 N SER A 32 -4.741 15.920 -0.069 1.00 0.00 N ATOM 403 CA SER A 32 -6.175 16.125 -0.241 1.00 0.00 C ATOM 404 C SER A 32 -6.564 16.032 -1.713 1.00 0.00 C ATOM 405 O SER A 32 -7.743 15.916 -2.050 1.00 0.00 O ATOM 406 CB SER A 32 -6.587 17.486 0.323 1.00 0.00 C ATOM 407 OG SER A 32 -6.696 17.442 1.735 1.00 0.00 O ATOM 0 H SER A 32 -4.219 16.765 0.165 1.00 0.00 H new ATOM 0 HA SER A 32 -6.698 15.340 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.854 18.239 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.541 17.788 -0.109 1.00 0.00 H new ATOM 0 HG SER A 32 -6.959 18.325 2.070 1.00 0.00 H new ATOM 413 N LYS A 33 -5.565 16.085 -2.587 1.00 0.00 N ATOM 414 CA LYS A 33 -5.800 16.005 -4.024 1.00 0.00 C ATOM 415 C LYS A 33 -5.608 14.579 -4.529 1.00 0.00 C ATOM 416 O LYS A 33 -6.299 14.136 -5.447 1.00 0.00 O ATOM 417 CB LYS A 33 -4.856 16.953 -4.769 1.00 0.00 C ATOM 418 CG LYS A 33 -5.079 18.418 -4.437 1.00 0.00 C ATOM 419 CD LYS A 33 -6.282 18.980 -5.174 1.00 0.00 C ATOM 420 CE LYS A 33 -6.749 20.292 -4.561 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.504 21.124 -5.538 1.00 0.00 N ATOM 0 H LYS A 33 -4.584 16.183 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.831 16.303 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.826 16.688 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.982 16.809 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.224 18.530 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.190 18.991 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.027 19.137 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.096 18.256 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.380 20.085 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.886 20.851 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.804 22.009 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.894 21.344 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.342 20.601 -5.865 1.00 0.00 H new ATOM 435 N VAL A 34 -4.666 13.863 -3.923 1.00 0.00 N ATOM 436 CA VAL A 34 -4.385 12.486 -4.309 1.00 0.00 C ATOM 437 C VAL A 34 -5.674 11.686 -4.469 1.00 0.00 C ATOM 438 O VAL A 34 -6.374 11.415 -3.494 1.00 0.00 O ATOM 439 CB VAL A 34 -3.485 11.785 -3.275 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.410 10.292 -3.556 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.096 12.405 -3.272 1.00 0.00 C ATOM 0 H VAL A 34 -4.084 14.214 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.864 12.526 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.922 11.922 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.769 9.814 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.410 9.861 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.997 10.129 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.473 11.898 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.648 12.300 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.170 13.462 -3.018 1.00 0.00 H new ATOM 451 N LYS A 35 -5.981 11.311 -5.707 1.00 0.00 N ATOM 452 CA LYS A 35 -7.184 10.541 -5.996 1.00 0.00 C ATOM 453 C LYS A 35 -6.837 9.093 -6.329 1.00 0.00 C ATOM 454 O LYS A 35 -6.078 8.825 -7.260 1.00 0.00 O ATOM 455 CB LYS A 35 -7.951 11.172 -7.161 1.00 0.00 C ATOM 456 CG LYS A 35 -8.595 12.503 -6.814 1.00 0.00 C ATOM 457 CD LYS A 35 -9.761 12.816 -7.737 1.00 0.00 C ATOM 458 CE LYS A 35 -10.659 13.897 -7.154 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.539 13.365 -6.077 1.00 0.00 N ATOM 0 H LYS A 35 -5.413 11.528 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.813 10.551 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.269 11.315 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.724 10.479 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.943 12.482 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.852 13.297 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.382 13.140 -8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.344 11.911 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.044 14.704 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.273 14.326 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.216 14.099 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.058 12.536 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.959 13.088 -5.260 1.00 0.00 H new ATOM 473 N ALA A 36 -7.397 8.164 -5.562 1.00 0.00 N ATOM 474 CA ALA A 36 -7.149 6.744 -5.778 1.00 0.00 C ATOM 475 C ALA A 36 -8.418 6.026 -6.225 1.00 0.00 C ATOM 476 O ALA A 36 -9.315 5.771 -5.420 1.00 0.00 O ATOM 477 CB ALA A 36 -6.598 6.106 -4.511 1.00 0.00 C ATOM 0 H ALA A 36 -8.026 8.369 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.409 6.647 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.417 5.045 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.662 6.593 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.319 6.222 -3.702 1.00 0.00 H new ATOM 483 N HIS A 37 -8.488 5.704 -7.512 1.00 0.00 N ATOM 484 CA HIS A 37 -9.649 5.016 -8.066 1.00 0.00 C ATOM 485 C HIS A 37 -9.219 3.817 -8.907 1.00 0.00 C ATOM 486 O HIS A 37 -8.276 3.903 -9.692 1.00 0.00 O ATOM 487 CB HIS A 37 -10.481 5.977 -8.916 1.00 0.00 C ATOM 488 CG HIS A 37 -9.662 6.814 -9.849 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.171 6.343 -11.049 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.249 8.100 -9.755 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.490 7.302 -11.651 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.523 8.379 -10.886 1.00 0.00 N ATOM 0 H HIS A 37 -7.755 5.908 -8.191 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.258 4.657 -7.236 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.204 5.403 -9.496 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.049 6.633 -8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.453 8.780 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.991 7.220 -12.605 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -8.081 9.273 -11.101 1.00 0.00 H new ATOM 501 N GLY A 38 -9.919 2.700 -8.736 1.00 0.00 N ATOM 502 CA GLY A 38 -9.594 1.499 -9.485 1.00 0.00 C ATOM 503 C GLY A 38 -10.160 0.247 -8.846 1.00 0.00 C ATOM 504 O GLY A 38 -10.776 0.291 -7.781 1.00 0.00 O ATOM 0 H GLY A 38 -10.705 2.605 -8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.980 1.592 -10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.511 1.405 -9.564 1.00 0.00 H new ATOM 508 N PRO A 39 -9.953 -0.903 -9.505 1.00 0.00 N ATOM 509 CA PRO A 39 -10.441 -2.195 -9.013 1.00 0.00 C ATOM 510 C PRO A 39 -9.695 -2.661 -7.768 1.00 0.00 C ATOM 511 O PRO A 39 -10.307 -3.064 -6.779 1.00 0.00 O ATOM 512 CB PRO A 39 -10.171 -3.145 -10.184 1.00 0.00 C ATOM 513 CG PRO A 39 -9.046 -2.516 -10.930 1.00 0.00 C ATOM 514 CD PRO A 39 -9.228 -1.031 -10.779 1.00 0.00 C ATOM 0 HA PRO A 39 -11.489 -2.148 -8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.904 -4.142 -9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.052 -3.255 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.084 -2.834 -10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.064 -2.807 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.271 -0.510 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.796 -0.610 -11.608 1.00 0.00 H new ATOM 522 N GLY A 40 -8.367 -2.602 -7.822 1.00 0.00 N ATOM 523 CA GLY A 40 -7.559 -3.021 -6.691 1.00 0.00 C ATOM 524 C GLY A 40 -8.078 -2.476 -5.375 1.00 0.00 C ATOM 525 O GLY A 40 -7.866 -3.075 -4.320 1.00 0.00 O ATOM 0 H GLY A 40 -7.837 -2.272 -8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.538 -4.110 -6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.532 -2.688 -6.839 1.00 0.00 H new ATOM 529 N LEU A 41 -8.758 -1.336 -5.435 1.00 0.00 N ATOM 530 CA LEU A 41 -9.307 -0.709 -4.238 1.00 0.00 C ATOM 531 C LEU A 41 -10.554 -1.446 -3.760 1.00 0.00 C ATOM 532 O LEU A 41 -10.669 -1.793 -2.585 1.00 0.00 O ATOM 533 CB LEU A 41 -9.642 0.757 -4.515 1.00 0.00 C ATOM 534 CG LEU A 41 -8.525 1.596 -5.137 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.034 2.983 -5.494 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.338 1.689 -4.190 1.00 0.00 C ATOM 0 H LEU A 41 -8.942 -0.827 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.553 -0.761 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.507 0.792 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.940 1.224 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.196 1.106 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.225 3.565 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.852 2.897 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.391 3.483 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.553 2.290 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.653 2.155 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.957 0.689 -3.985 1.00 0.00 H new ATOM 548 N GLU A 42 -11.483 -1.685 -4.680 1.00 0.00 N ATOM 549 CA GLU A 42 -12.721 -2.382 -4.352 1.00 0.00 C ATOM 550 C GLU A 42 -12.444 -3.836 -3.980 1.00 0.00 C ATOM 551 O GLU A 42 -13.073 -4.388 -3.079 1.00 0.00 O ATOM 552 CB GLU A 42 -13.694 -2.323 -5.532 1.00 0.00 C ATOM 553 CG GLU A 42 -14.146 -0.914 -5.878 1.00 0.00 C ATOM 554 CD GLU A 42 -15.193 -0.385 -4.918 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.179 -0.794 -3.738 1.00 0.00 O ATOM 556 OE2 GLU A 42 -16.028 0.440 -5.347 1.00 0.00 O ATOM 0 H GLU A 42 -11.402 -1.406 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.172 -1.884 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.219 -2.768 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.569 -2.930 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.283 -0.248 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.549 -0.904 -6.891 1.00 0.00 H new ATOM 563 N GLY A 43 -11.497 -4.451 -4.683 1.00 0.00 N ATOM 564 CA GLY A 43 -11.153 -5.834 -4.413 1.00 0.00 C ATOM 565 C GLY A 43 -10.660 -6.561 -5.649 1.00 0.00 C ATOM 566 O GLY A 43 -10.338 -5.935 -6.658 1.00 0.00 O ATOM 0 H GLY A 43 -10.962 -4.015 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.383 -5.870 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.026 -6.351 -4.015 1.00 0.00 H new ATOM 570 N GLY A 44 -10.599 -7.887 -5.569 1.00 0.00 N ATOM 571 CA GLY A 44 -10.138 -8.677 -6.696 1.00 0.00 C ATOM 572 C GLY A 44 -10.296 -10.166 -6.463 1.00 0.00 C ATOM 573 O GLY A 44 -11.374 -10.634 -6.094 1.00 0.00 O ATOM 0 H GLY A 44 -10.860 -8.428 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.695 -8.391 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.089 -8.452 -6.889 1.00 0.00 H new ATOM 577 N LEU A 45 -9.220 -10.915 -6.679 1.00 0.00 N ATOM 578 CA LEU A 45 -9.244 -12.361 -6.491 1.00 0.00 C ATOM 579 C LEU A 45 -7.961 -12.845 -5.823 1.00 0.00 C ATOM 580 O LEU A 45 -6.946 -12.148 -5.826 1.00 0.00 O ATOM 581 CB LEU A 45 -9.429 -13.067 -7.836 1.00 0.00 C ATOM 582 CG LEU A 45 -10.718 -12.743 -8.592 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.530 -12.958 -10.085 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.869 -13.591 -8.070 1.00 0.00 C ATOM 0 H LEU A 45 -8.320 -10.545 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.084 -12.604 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.583 -12.815 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.391 -14.143 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.961 -11.694 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.458 -12.722 -10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.734 -12.308 -10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.263 -13.998 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.779 -13.347 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.634 -14.647 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.020 -13.387 -7.010 1.00 0.00 H new ATOM 596 N VAL A 46 -8.013 -14.044 -5.252 1.00 0.00 N ATOM 597 CA VAL A 46 -6.854 -14.623 -4.582 1.00 0.00 C ATOM 598 C VAL A 46 -5.769 -14.997 -5.586 1.00 0.00 C ATOM 599 O VAL A 46 -6.059 -15.321 -6.737 1.00 0.00 O ATOM 600 CB VAL A 46 -7.241 -15.874 -3.771 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.020 -16.463 -3.082 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.325 -15.537 -2.758 1.00 0.00 C ATOM 0 H VAL A 46 -8.845 -14.634 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.469 -13.863 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.637 -16.623 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.313 -17.346 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.279 -16.743 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.591 -15.723 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.587 -16.432 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.959 -14.771 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.207 -15.166 -3.279 1.00 0.00 H new ATOM 612 N GLY A 47 -4.517 -14.950 -5.141 1.00 0.00 N ATOM 613 CA GLY A 47 -3.407 -15.286 -6.013 1.00 0.00 C ATOM 614 C GLY A 47 -3.518 -14.627 -7.374 1.00 0.00 C ATOM 615 O GLY A 47 -2.998 -15.140 -8.365 1.00 0.00 O ATOM 0 H GLY A 47 -4.252 -14.685 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.473 -14.982 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.363 -16.368 -6.139 1.00 0.00 H new ATOM 619 N LYS A 48 -4.199 -13.488 -7.424 1.00 0.00 N ATOM 620 CA LYS A 48 -4.378 -12.757 -8.673 1.00 0.00 C ATOM 621 C LYS A 48 -3.909 -11.312 -8.529 1.00 0.00 C ATOM 622 O LYS A 48 -3.988 -10.712 -7.457 1.00 0.00 O ATOM 623 CB LYS A 48 -5.847 -12.787 -9.099 1.00 0.00 C ATOM 624 CG LYS A 48 -6.205 -13.983 -9.965 1.00 0.00 C ATOM 625 CD LYS A 48 -7.330 -13.656 -10.931 1.00 0.00 C ATOM 626 CE LYS A 48 -6.795 -13.122 -12.251 1.00 0.00 C ATOM 627 NZ LYS A 48 -6.655 -11.640 -12.234 1.00 0.00 N ATOM 0 H LYS A 48 -4.637 -13.050 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.774 -13.243 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.475 -12.793 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.077 -11.872 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.326 -14.304 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.501 -14.818 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.925 -14.551 -11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.994 -12.918 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.826 -13.576 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.465 -13.414 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.300 -11.222 -12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.892 -11.280 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.675 -11.381 -12.468 1.00 0.00 H new ATOM 641 N PRO A 49 -3.411 -10.739 -9.635 1.00 0.00 N ATOM 642 CA PRO A 49 -2.922 -9.357 -9.658 1.00 0.00 C ATOM 643 C PRO A 49 -4.050 -8.340 -9.521 1.00 0.00 C ATOM 644 O PRO A 49 -5.054 -8.415 -10.228 1.00 0.00 O ATOM 645 CB PRO A 49 -2.259 -9.238 -11.032 1.00 0.00 C ATOM 646 CG PRO A 49 -2.943 -10.260 -11.873 1.00 0.00 C ATOM 647 CD PRO A 49 -3.287 -11.395 -10.947 1.00 0.00 C ATOM 0 HA PRO A 49 -2.250 -9.149 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.383 -8.237 -11.446 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.187 -9.428 -10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.840 -9.848 -12.336 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.294 -10.598 -12.681 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.215 -11.886 -11.240 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.510 -12.159 -10.942 1.00 0.00 H new ATOM 655 N ALA A 50 -3.877 -7.391 -8.607 1.00 0.00 N ATOM 656 CA ALA A 50 -4.880 -6.358 -8.379 1.00 0.00 C ATOM 657 C ALA A 50 -4.230 -4.988 -8.219 1.00 0.00 C ATOM 658 O ALA A 50 -3.442 -4.769 -7.300 1.00 0.00 O ATOM 659 CB ALA A 50 -5.715 -6.695 -7.153 1.00 0.00 C ATOM 0 H ALA A 50 -3.052 -7.316 -8.012 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.533 -6.321 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.460 -5.915 -6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.217 -7.650 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.067 -6.761 -6.279 1.00 0.00 H new ATOM 665 N GLU A 51 -4.565 -4.070 -9.120 1.00 0.00 N ATOM 666 CA GLU A 51 -4.012 -2.721 -9.079 1.00 0.00 C ATOM 667 C GLU A 51 -5.107 -1.678 -9.281 1.00 0.00 C ATOM 668 O GLU A 51 -6.268 -2.016 -9.511 1.00 0.00 O ATOM 669 CB GLU A 51 -2.931 -2.557 -10.149 1.00 0.00 C ATOM 670 CG GLU A 51 -3.297 -3.180 -11.485 1.00 0.00 C ATOM 671 CD GLU A 51 -2.104 -3.316 -12.412 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.457 -2.288 -12.701 1.00 0.00 O ATOM 673 OE2 GLU A 51 -1.818 -4.451 -12.847 1.00 0.00 O ATOM 0 H GLU A 51 -5.216 -4.236 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.566 -2.568 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.734 -1.495 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.005 -3.006 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.734 -4.164 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.061 -2.571 -11.969 1.00 0.00 H new ATOM 680 N PHE A 52 -4.728 -0.407 -9.194 1.00 0.00 N ATOM 681 CA PHE A 52 -5.676 0.687 -9.366 1.00 0.00 C ATOM 682 C PHE A 52 -4.993 1.910 -9.972 1.00 0.00 C ATOM 683 O PHE A 52 -3.781 1.913 -10.193 1.00 0.00 O ATOM 684 CB PHE A 52 -6.310 1.056 -8.023 1.00 0.00 C ATOM 685 CG PHE A 52 -5.351 0.993 -6.870 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.846 -0.223 -6.437 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.954 2.149 -6.217 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.962 -0.285 -5.376 1.00 0.00 C ATOM 689 CE2 PHE A 52 -4.070 2.093 -5.156 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.575 0.874 -4.734 1.00 0.00 C ATOM 0 H PHE A 52 -3.771 -0.110 -9.005 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.457 0.353 -10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.721 2.064 -8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.145 0.383 -7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.147 -1.133 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.340 3.104 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.575 -1.239 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.766 3.001 -4.657 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.886 0.828 -3.903 1.00 0.00 H new ATOM 700 N THR A 53 -5.779 2.948 -10.239 1.00 0.00 N ATOM 701 CA THR A 53 -5.251 4.176 -10.820 1.00 0.00 C ATOM 702 C THR A 53 -5.109 5.267 -9.765 1.00 0.00 C ATOM 703 O THR A 53 -6.083 5.644 -9.113 1.00 0.00 O ATOM 704 CB THR A 53 -6.154 4.692 -11.957 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.538 3.607 -12.809 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.438 5.756 -12.775 1.00 0.00 C ATOM 0 H THR A 53 -6.783 2.963 -10.062 1.00 0.00 H new ATOM 0 HA THR A 53 -4.268 3.937 -11.226 1.00 0.00 H new ATOM 0 HB THR A 53 -7.044 5.136 -11.511 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.113 3.943 -13.528 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.095 6.105 -13.572 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.173 6.594 -12.130 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.533 5.332 -13.210 1.00 0.00 H new ATOM 714 N ILE A 54 -3.890 5.771 -9.603 1.00 0.00 N ATOM 715 CA ILE A 54 -3.621 6.820 -8.628 1.00 0.00 C ATOM 716 C ILE A 54 -3.165 8.104 -9.313 1.00 0.00 C ATOM 717 O ILE A 54 -2.324 8.074 -10.212 1.00 0.00 O ATOM 718 CB ILE A 54 -2.549 6.384 -7.612 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.996 5.119 -6.877 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.268 7.506 -6.624 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.899 4.479 -6.055 1.00 0.00 C ATOM 0 H ILE A 54 -3.073 5.470 -10.135 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.556 7.006 -8.099 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.628 6.162 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.833 5.365 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.362 4.396 -7.605 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.508 7.182 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.911 8.384 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.184 7.757 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.287 3.588 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.071 4.202 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.548 5.186 -5.303 1.00 0.00 H new ATOM 733 N ASP A 55 -3.723 9.229 -8.881 1.00 0.00 N ATOM 734 CA ASP A 55 -3.371 10.525 -9.451 1.00 0.00 C ATOM 735 C ASP A 55 -2.591 11.366 -8.446 1.00 0.00 C ATOM 736 O ASP A 55 -2.992 11.503 -7.289 1.00 0.00 O ATOM 737 CB ASP A 55 -4.631 11.271 -9.891 1.00 0.00 C ATOM 738 CG ASP A 55 -4.420 12.771 -9.965 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.109 13.379 -8.919 1.00 0.00 O ATOM 740 OD2 ASP A 55 -4.564 13.336 -11.069 1.00 0.00 O ATOM 0 H ASP A 55 -4.421 9.270 -8.138 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.738 10.352 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.945 10.903 -10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.440 11.055 -9.193 1.00 0.00 H new ATOM 745 N THR A 56 -1.473 11.929 -8.894 1.00 0.00 N ATOM 746 CA THR A 56 -0.635 12.755 -8.034 1.00 0.00 C ATOM 747 C THR A 56 -0.515 14.173 -8.582 1.00 0.00 C ATOM 748 O THR A 56 -0.317 15.126 -7.828 1.00 0.00 O ATOM 749 CB THR A 56 0.775 12.155 -7.880 1.00 0.00 C ATOM 750 OG1 THR A 56 1.363 11.948 -9.169 1.00 0.00 O ATOM 751 CG2 THR A 56 0.723 10.837 -7.123 1.00 0.00 C ATOM 0 H THR A 56 -1.127 11.828 -9.848 1.00 0.00 H new ATOM 0 HA THR A 56 -1.117 12.785 -7.057 1.00 0.00 H new ATOM 0 HB THR A 56 1.384 12.858 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.260 11.568 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.731 10.433 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.303 11.003 -6.131 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.098 10.129 -7.668 1.00 0.00 H new ATOM 759 N LYS A 57 -0.636 14.306 -9.898 1.00 0.00 N ATOM 760 CA LYS A 57 -0.544 15.608 -10.548 1.00 0.00 C ATOM 761 C LYS A 57 -1.458 16.622 -9.867 1.00 0.00 C ATOM 762 O LYS A 57 -2.681 16.490 -9.901 1.00 0.00 O ATOM 763 CB LYS A 57 -0.909 15.489 -12.029 1.00 0.00 C ATOM 764 CG LYS A 57 -2.209 14.743 -12.277 1.00 0.00 C ATOM 765 CD LYS A 57 -2.304 14.250 -13.711 1.00 0.00 C ATOM 766 CE LYS A 57 -3.150 12.990 -13.812 1.00 0.00 C ATOM 767 NZ LYS A 57 -3.463 12.643 -15.226 1.00 0.00 N ATOM 0 H LYS A 57 -0.798 13.527 -10.536 1.00 0.00 H new ATOM 0 HA LYS A 57 0.485 15.958 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.986 16.488 -12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.101 14.979 -12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.279 13.896 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.053 15.398 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.736 15.031 -14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.304 14.050 -14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.622 12.160 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.079 13.131 -13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.041 11.779 -15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.989 13.424 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.578 12.483 -15.748 1.00 0.00 H new ATOM 781 N GLY A 58 -0.856 17.635 -9.251 1.00 0.00 N ATOM 782 CA GLY A 58 -1.632 18.657 -8.573 1.00 0.00 C ATOM 783 C GLY A 58 -1.387 18.674 -7.077 1.00 0.00 C ATOM 784 O GLY A 58 -1.588 19.695 -6.420 1.00 0.00 O ATOM 0 H GLY A 58 0.155 17.766 -9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.384 19.633 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.692 18.489 -8.763 1.00 0.00 H new ATOM 788 N ALA A 59 -0.953 17.539 -6.537 1.00 0.00 N ATOM 789 CA ALA A 59 -0.681 17.428 -5.110 1.00 0.00 C ATOM 790 C ALA A 59 0.482 18.326 -4.702 1.00 0.00 C ATOM 791 O ALA A 59 0.339 19.187 -3.834 1.00 0.00 O ATOM 792 CB ALA A 59 -0.388 15.982 -4.740 1.00 0.00 C ATOM 0 H ALA A 59 -0.783 16.684 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.568 17.758 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.187 15.914 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.249 15.361 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.482 15.633 -5.296 1.00 0.00 H new ATOM 798 N GLY A 60 1.634 18.120 -5.333 1.00 0.00 N ATOM 799 CA GLY A 60 2.805 18.918 -5.020 1.00 0.00 C ATOM 800 C GLY A 60 4.099 18.160 -5.240 1.00 0.00 C ATOM 801 O GLY A 60 4.508 17.932 -6.379 1.00 0.00 O ATOM 0 H GLY A 60 1.777 17.414 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.804 19.816 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.751 19.245 -3.982 1.00 0.00 H new ATOM 805 N THR A 61 4.748 17.770 -4.148 1.00 0.00 N ATOM 806 CA THR A 61 6.005 17.036 -4.226 1.00 0.00 C ATOM 807 C THR A 61 6.354 16.399 -2.886 1.00 0.00 C ATOM 808 O THR A 61 6.540 17.093 -1.887 1.00 0.00 O ATOM 809 CB THR A 61 7.163 17.952 -4.664 1.00 0.00 C ATOM 810 OG1 THR A 61 6.900 18.487 -5.966 1.00 0.00 O ATOM 811 CG2 THR A 61 8.479 17.189 -4.680 1.00 0.00 C ATOM 0 H THR A 61 4.424 17.950 -3.198 1.00 0.00 H new ATOM 0 HA THR A 61 5.869 16.253 -4.972 1.00 0.00 H new ATOM 0 HB THR A 61 7.243 18.768 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.189 17.967 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.283 17.856 -4.992 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.691 16.808 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.408 16.355 -5.378 1.00 0.00 H new ATOM 819 N GLY A 62 6.442 15.073 -2.872 1.00 0.00 N ATOM 820 CA GLY A 62 6.770 14.364 -1.648 1.00 0.00 C ATOM 821 C GLY A 62 6.772 12.860 -1.832 1.00 0.00 C ATOM 822 O GLY A 62 6.844 12.365 -2.956 1.00 0.00 O ATOM 0 H GLY A 62 6.292 14.477 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.751 14.685 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.051 14.631 -0.873 1.00 0.00 H new ATOM 826 N GLY A 63 6.694 12.129 -0.724 1.00 0.00 N ATOM 827 CA GLY A 63 6.691 10.680 -0.789 1.00 0.00 C ATOM 828 C GLY A 63 5.352 10.085 -0.400 1.00 0.00 C ATOM 829 O GLY A 63 4.517 10.759 0.205 1.00 0.00 O ATOM 0 H GLY A 63 6.633 12.515 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.945 10.364 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.465 10.288 -0.129 1.00 0.00 H new ATOM 833 N LEU A 64 5.145 8.820 -0.748 1.00 0.00 N ATOM 834 CA LEU A 64 3.896 8.134 -0.433 1.00 0.00 C ATOM 835 C LEU A 64 4.168 6.777 0.209 1.00 0.00 C ATOM 836 O LEU A 64 4.935 5.972 -0.318 1.00 0.00 O ATOM 837 CB LEU A 64 3.056 7.954 -1.698 1.00 0.00 C ATOM 838 CG LEU A 64 1.664 7.353 -1.500 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.679 8.424 -1.056 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.185 6.683 -2.779 1.00 0.00 C ATOM 0 H LEU A 64 5.825 8.248 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 64 3.342 8.747 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.945 8.926 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.609 7.319 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 64 1.724 6.596 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.306 7.978 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.014 8.858 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.623 9.204 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.193 6.261 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.141 7.420 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.877 5.888 -3.054 1.00 0.00 H new ATOM 852 N GLY A 65 3.531 6.529 1.349 1.00 0.00 N ATOM 853 CA GLY A 65 3.715 5.267 2.042 1.00 0.00 C ATOM 854 C GLY A 65 2.555 4.315 1.832 1.00 0.00 C ATOM 855 O GLY A 65 1.457 4.539 2.345 1.00 0.00 O ATOM 0 H GLY A 65 2.891 7.179 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.635 4.796 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.837 5.456 3.108 1.00 0.00 H new ATOM 859 N LEU A 66 2.795 3.250 1.074 1.00 0.00 N ATOM 860 CA LEU A 66 1.760 2.261 0.795 1.00 0.00 C ATOM 861 C LEU A 66 2.027 0.965 1.555 1.00 0.00 C ATOM 862 O LEU A 66 3.056 0.317 1.359 1.00 0.00 O ATOM 863 CB LEU A 66 1.688 1.979 -0.707 1.00 0.00 C ATOM 864 CG LEU A 66 0.340 1.485 -1.233 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.630 2.646 -1.389 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.519 0.756 -2.557 1.00 0.00 C ATOM 0 H LEU A 66 3.697 3.050 0.642 1.00 0.00 H new ATOM 0 HA LEU A 66 0.805 2.666 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.951 2.892 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.446 1.236 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.077 0.785 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.584 2.275 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.782 3.125 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.220 3.371 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.451 0.411 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.958 1.434 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.178 -0.100 -2.415 1.00 0.00 H new ATOM 878 N THR A 67 1.091 0.591 2.423 1.00 0.00 N ATOM 879 CA THR A 67 1.224 -0.628 3.211 1.00 0.00 C ATOM 880 C THR A 67 -0.095 -1.389 3.273 1.00 0.00 C ATOM 881 O THR A 67 -1.150 -0.805 3.519 1.00 0.00 O ATOM 882 CB THR A 67 1.694 -0.320 4.646 1.00 0.00 C ATOM 883 OG1 THR A 67 0.820 0.639 5.252 1.00 0.00 O ATOM 884 CG2 THR A 67 3.119 0.213 4.646 1.00 0.00 C ATOM 0 H THR A 67 0.233 1.115 2.598 1.00 0.00 H new ATOM 0 HA THR A 67 1.973 -1.245 2.715 1.00 0.00 H new ATOM 0 HB THR A 67 1.670 -1.246 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.124 0.828 6.164 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.429 0.423 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.786 -0.531 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.165 1.129 4.058 1.00 0.00 H new ATOM 892 N VAL A 68 -0.028 -2.698 3.048 1.00 0.00 N ATOM 893 CA VAL A 68 -1.218 -3.540 3.079 1.00 0.00 C ATOM 894 C VAL A 68 -1.482 -4.065 4.486 1.00 0.00 C ATOM 895 O VAL A 68 -0.742 -4.906 4.994 1.00 0.00 O ATOM 896 CB VAL A 68 -1.087 -4.733 2.115 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.242 -5.704 2.305 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.018 -4.248 0.674 1.00 0.00 C ATOM 0 H VAL A 68 0.837 -3.198 2.842 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.055 -2.917 2.763 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.161 -5.261 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.132 -6.540 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.240 -6.076 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.184 -5.192 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.926 -5.104 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.926 -3.695 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.153 -3.596 0.550 1.00 0.00 H new ATOM 908 N GLU A 69 -2.543 -3.562 5.110 1.00 0.00 N ATOM 909 CA GLU A 69 -2.905 -3.981 6.459 1.00 0.00 C ATOM 910 C GLU A 69 -3.994 -5.049 6.424 1.00 0.00 C ATOM 911 O GLU A 69 -5.157 -4.774 6.716 1.00 0.00 O ATOM 912 CB GLU A 69 -3.379 -2.780 7.280 1.00 0.00 C ATOM 913 CG GLU A 69 -2.250 -1.875 7.743 1.00 0.00 C ATOM 914 CD GLU A 69 -2.733 -0.752 8.641 1.00 0.00 C ATOM 915 OE1 GLU A 69 -3.918 -0.375 8.534 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.924 -0.251 9.450 1.00 0.00 O ATOM 0 H GLU A 69 -3.166 -2.865 4.703 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.019 -4.407 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.080 -2.196 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.926 -3.140 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.509 -2.469 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.750 -1.450 6.873 1.00 0.00 H new ATOM 923 N GLY A 70 -3.608 -6.269 6.063 1.00 0.00 N ATOM 924 CA GLY A 70 -4.562 -7.360 5.994 1.00 0.00 C ATOM 925 C GLY A 70 -4.182 -8.519 6.893 1.00 0.00 C ATOM 926 O GLY A 70 -3.250 -8.434 7.693 1.00 0.00 O ATOM 0 H GLY A 70 -2.651 -6.521 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.549 -6.994 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.634 -7.711 4.965 1.00 0.00 H new ATOM 930 N PRO A 71 -4.917 -9.635 6.769 1.00 0.00 N ATOM 931 CA PRO A 71 -4.671 -10.838 7.569 1.00 0.00 C ATOM 932 C PRO A 71 -3.370 -11.534 7.185 1.00 0.00 C ATOM 933 O PRO A 71 -2.883 -12.404 7.908 1.00 0.00 O ATOM 934 CB PRO A 71 -5.871 -11.731 7.245 1.00 0.00 C ATOM 935 CG PRO A 71 -6.323 -11.284 5.898 1.00 0.00 C ATOM 936 CD PRO A 71 -6.043 -9.808 5.836 1.00 0.00 C ATOM 0 HA PRO A 71 -4.567 -10.608 8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.590 -12.784 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.662 -11.616 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.789 -11.816 5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.385 -11.486 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.781 -9.491 4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.910 -9.221 6.139 1.00 0.00 H new ATOM 944 N CYS A 72 -2.811 -11.146 6.044 1.00 0.00 N ATOM 945 CA CYS A 72 -1.566 -11.734 5.564 1.00 0.00 C ATOM 946 C CYS A 72 -0.670 -10.671 4.936 1.00 0.00 C ATOM 947 O CYS A 72 -1.073 -9.519 4.782 1.00 0.00 O ATOM 948 CB CYS A 72 -1.858 -12.838 4.547 1.00 0.00 C ATOM 949 SG CYS A 72 -0.614 -14.150 4.505 1.00 0.00 S ATOM 0 H CYS A 72 -3.200 -10.427 5.434 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.044 -12.166 6.418 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.828 -13.279 4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.935 -12.393 3.555 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.202 -15.302 4.371 1.00 0.00 H new ATOM 955 N GLU A 73 0.547 -11.067 4.577 1.00 0.00 N ATOM 956 CA GLU A 73 1.501 -10.147 3.968 1.00 0.00 C ATOM 957 C GLU A 73 1.505 -10.295 2.449 1.00 0.00 C ATOM 958 O GLU A 73 2.248 -11.105 1.896 1.00 0.00 O ATOM 959 CB GLU A 73 2.906 -10.396 4.520 1.00 0.00 C ATOM 960 CG GLU A 73 3.838 -9.205 4.369 1.00 0.00 C ATOM 961 CD GLU A 73 5.136 -9.379 5.135 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.761 -10.452 5.007 1.00 0.00 O ATOM 963 OE2 GLU A 73 5.525 -8.441 5.862 1.00 0.00 O ATOM 0 H GLU A 73 0.896 -12.018 4.697 1.00 0.00 H new ATOM 0 HA GLU A 73 1.196 -9.130 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.832 -10.657 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.341 -11.255 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.061 -9.055 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.332 -8.305 4.719 1.00 0.00 H new ATOM 970 N ALA A 74 0.670 -9.506 1.782 1.00 0.00 N ATOM 971 CA ALA A 74 0.578 -9.547 0.327 1.00 0.00 C ATOM 972 C ALA A 74 1.616 -8.634 -0.314 1.00 0.00 C ATOM 973 O ALA A 74 1.835 -7.510 0.139 1.00 0.00 O ATOM 974 CB ALA A 74 -0.822 -9.157 -0.124 1.00 0.00 C ATOM 0 H ALA A 74 0.047 -8.831 2.225 1.00 0.00 H new ATOM 0 HA ALA A 74 0.781 -10.568 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.877 -9.192 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.547 -9.853 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.046 -8.147 0.218 1.00 0.00 H new ATOM 980 N LYS A 75 2.255 -9.123 -1.371 1.00 0.00 N ATOM 981 CA LYS A 75 3.272 -8.351 -2.077 1.00 0.00 C ATOM 982 C LYS A 75 2.675 -7.079 -2.669 1.00 0.00 C ATOM 983 O LYS A 75 1.492 -7.037 -3.009 1.00 0.00 O ATOM 984 CB LYS A 75 3.904 -9.195 -3.186 1.00 0.00 C ATOM 985 CG LYS A 75 5.332 -8.796 -3.515 1.00 0.00 C ATOM 986 CD LYS A 75 5.378 -7.733 -4.600 1.00 0.00 C ATOM 987 CE LYS A 75 6.695 -7.769 -5.360 1.00 0.00 C ATOM 988 NZ LYS A 75 6.650 -8.720 -6.504 1.00 0.00 N ATOM 0 H LYS A 75 2.087 -10.051 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 75 4.043 -8.070 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.888 -10.243 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.296 -9.111 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.822 -8.421 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.890 -9.674 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.552 -7.884 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.242 -6.749 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.929 -6.770 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.498 -8.056 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.566 -8.715 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.452 -9.678 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.901 -8.432 -7.165 1.00 0.00 H new ATOM 1002 N ILE A 76 3.500 -6.045 -2.792 1.00 0.00 N ATOM 1003 CA ILE A 76 3.053 -4.773 -3.346 1.00 0.00 C ATOM 1004 C ILE A 76 4.050 -4.238 -4.369 1.00 0.00 C ATOM 1005 O ILE A 76 5.162 -3.847 -4.019 1.00 0.00 O ATOM 1006 CB ILE A 76 2.851 -3.718 -2.242 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.975 -4.281 -1.122 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.232 -2.455 -2.823 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.045 -3.481 0.160 1.00 0.00 C ATOM 0 H ILE A 76 4.482 -6.063 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 76 2.098 -4.961 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 76 3.824 -3.462 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.940 -4.315 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.277 -5.308 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.095 -1.719 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.891 -2.046 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.265 -2.694 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.399 -3.938 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.072 -3.468 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.714 -2.460 -0.030 1.00 0.00 H new ATOM 1021 N GLU A 77 3.641 -4.224 -5.634 1.00 0.00 N ATOM 1022 CA GLU A 77 4.499 -3.736 -6.708 1.00 0.00 C ATOM 1023 C GLU A 77 4.038 -2.364 -7.191 1.00 0.00 C ATOM 1024 O GLU A 77 3.068 -2.251 -7.941 1.00 0.00 O ATOM 1025 CB GLU A 77 4.504 -4.725 -7.875 1.00 0.00 C ATOM 1026 CG GLU A 77 5.786 -4.698 -8.690 1.00 0.00 C ATOM 1027 CD GLU A 77 5.603 -5.263 -10.085 1.00 0.00 C ATOM 1028 OE1 GLU A 77 5.675 -6.500 -10.238 1.00 0.00 O ATOM 1029 OE2 GLU A 77 5.389 -4.468 -11.024 1.00 0.00 O ATOM 0 H GLU A 77 2.722 -4.544 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 77 5.512 -3.642 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.351 -5.732 -7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.662 -4.504 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.145 -3.671 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.555 -5.268 -8.169 1.00 0.00 H new ATOM 1036 N CYS A 78 4.741 -1.324 -6.756 1.00 0.00 N ATOM 1037 CA CYS A 78 4.404 0.042 -7.142 1.00 0.00 C ATOM 1038 C CYS A 78 5.171 0.458 -8.393 1.00 0.00 C ATOM 1039 O CYS A 78 6.272 1.000 -8.307 1.00 0.00 O ATOM 1040 CB CYS A 78 4.710 1.008 -5.997 1.00 0.00 C ATOM 1041 SG CYS A 78 6.415 0.927 -5.398 1.00 0.00 S ATOM 0 H CYS A 78 5.547 -1.400 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 78 3.337 0.078 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.501 2.025 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.035 0.797 -5.168 1.00 0.00 H new ATOM 0 HG CYS A 78 7.226 0.831 -6.409 1.00 0.00 H new ATOM 1047 N SER A 79 4.581 0.198 -9.556 1.00 0.00 N ATOM 1048 CA SER A 79 5.211 0.540 -10.826 1.00 0.00 C ATOM 1049 C SER A 79 4.863 1.967 -11.238 1.00 0.00 C ATOM 1050 O SER A 79 3.717 2.265 -11.576 1.00 0.00 O ATOM 1051 CB SER A 79 4.773 -0.439 -11.917 1.00 0.00 C ATOM 1052 OG SER A 79 3.486 -0.965 -11.643 1.00 0.00 O ATOM 0 H SER A 79 3.668 -0.248 -9.645 1.00 0.00 H new ATOM 0 HA SER A 79 6.291 0.470 -10.698 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.765 0.067 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.494 -1.253 -11.990 1.00 0.00 H new ATOM 0 HG SER A 79 2.889 -0.240 -11.363 1.00 0.00 H new ATOM 1058 N ASP A 80 5.860 2.845 -11.207 1.00 0.00 N ATOM 1059 CA ASP A 80 5.661 4.241 -11.577 1.00 0.00 C ATOM 1060 C ASP A 80 5.441 4.378 -13.081 1.00 0.00 C ATOM 1061 O ASP A 80 5.855 3.520 -13.859 1.00 0.00 O ATOM 1062 CB ASP A 80 6.864 5.082 -11.147 1.00 0.00 C ATOM 1063 CG ASP A 80 6.490 6.522 -10.858 1.00 0.00 C ATOM 1064 OD1 ASP A 80 5.677 6.750 -9.937 1.00 0.00 O ATOM 1065 OD2 ASP A 80 7.009 7.421 -11.552 1.00 0.00 O ATOM 0 H ASP A 80 6.814 2.614 -10.929 1.00 0.00 H new ATOM 0 HA ASP A 80 4.771 4.604 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.313 4.641 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.620 5.057 -11.931 1.00 0.00 H new ATOM 1070 N ASN A 81 4.786 5.462 -13.482 1.00 0.00 N ATOM 1071 CA ASN A 81 4.509 5.711 -14.892 1.00 0.00 C ATOM 1072 C ASN A 81 5.437 6.787 -15.447 1.00 0.00 C ATOM 1073 O ASN A 81 6.130 6.572 -16.440 1.00 0.00 O ATOM 1074 CB ASN A 81 3.050 6.132 -15.080 1.00 0.00 C ATOM 1075 CG ASN A 81 2.077 5.038 -14.688 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.766 4.956 -13.400 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 1.610 4.275 -15.534 1.00 0.00 N flip ATOM 0 H ASN A 81 4.437 6.183 -12.850 1.00 0.00 H new ATOM 0 HA ASN A 81 4.686 4.786 -15.441 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.852 7.022 -14.482 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.885 6.405 -16.122 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.877 4.375 -16.513 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.956 3.543 -15.255 1.00 0.00 H new ATOM 1084 N GLY A 82 5.445 7.947 -14.797 1.00 0.00 N ATOM 1085 CA GLY A 82 6.291 9.040 -15.239 1.00 0.00 C ATOM 1086 C GLY A 82 5.494 10.197 -15.808 1.00 0.00 C ATOM 1087 O GLY A 82 6.043 11.266 -16.073 1.00 0.00 O ATOM 0 H GLY A 82 4.880 8.149 -13.972 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.890 9.394 -14.400 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.986 8.675 -15.995 1.00 0.00 H new ATOM 1091 N ASP A 83 4.197 9.983 -15.997 1.00 0.00 N ATOM 1092 CA ASP A 83 3.322 11.017 -16.539 1.00 0.00 C ATOM 1093 C ASP A 83 2.568 11.732 -15.422 1.00 0.00 C ATOM 1094 O ASP A 83 2.075 12.844 -15.605 1.00 0.00 O ATOM 1095 CB ASP A 83 2.331 10.408 -17.532 1.00 0.00 C ATOM 1096 CG ASP A 83 1.873 9.023 -17.117 1.00 0.00 C ATOM 1097 OD1 ASP A 83 1.053 8.926 -16.180 1.00 0.00 O ATOM 1098 OD2 ASP A 83 2.336 8.037 -17.728 1.00 0.00 O ATOM 0 H ASP A 83 3.728 9.103 -15.783 1.00 0.00 H new ATOM 0 HA ASP A 83 3.942 11.747 -17.059 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.464 11.062 -17.623 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.795 10.354 -18.517 1.00 0.00 H new ATOM 1103 N GLY A 84 2.482 11.083 -14.264 1.00 0.00 N ATOM 1104 CA GLY A 84 1.786 11.672 -13.135 1.00 0.00 C ATOM 1105 C GLY A 84 0.812 10.707 -12.488 1.00 0.00 C ATOM 1106 O GLY A 84 -0.176 11.122 -11.881 1.00 0.00 O ATOM 0 H GLY A 84 2.881 10.161 -14.088 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.515 12.000 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.247 12.560 -13.467 1.00 0.00 H new ATOM 1110 N THR A 85 1.089 9.413 -12.617 1.00 0.00 N ATOM 1111 CA THR A 85 0.229 8.386 -12.043 1.00 0.00 C ATOM 1112 C THR A 85 1.047 7.204 -11.536 1.00 0.00 C ATOM 1113 O THR A 85 2.259 7.141 -11.745 1.00 0.00 O ATOM 1114 CB THR A 85 -0.803 7.880 -13.069 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.149 7.544 -14.297 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.870 8.933 -13.328 1.00 0.00 C ATOM 0 H THR A 85 1.903 9.052 -13.114 1.00 0.00 H new ATOM 0 HA THR A 85 -0.297 8.845 -11.206 1.00 0.00 H new ATOM 0 HB THR A 85 -1.284 6.992 -12.659 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.135 8.364 -14.751 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.587 8.553 -14.056 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.386 9.165 -12.396 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.402 9.837 -13.718 1.00 0.00 H new ATOM 1124 N CYS A 86 0.377 6.269 -10.871 1.00 0.00 N ATOM 1125 CA CYS A 86 1.043 5.088 -10.334 1.00 0.00 C ATOM 1126 C CYS A 86 0.148 3.858 -10.453 1.00 0.00 C ATOM 1127 O CYS A 86 -1.013 3.881 -10.045 1.00 0.00 O ATOM 1128 CB CYS A 86 1.428 5.314 -8.872 1.00 0.00 C ATOM 1129 SG CYS A 86 2.549 6.708 -8.611 1.00 0.00 S ATOM 0 H CYS A 86 -0.626 6.306 -10.691 1.00 0.00 H new ATOM 0 HA CYS A 86 1.947 4.915 -10.917 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.521 5.477 -8.290 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.896 4.408 -8.486 1.00 0.00 H new ATOM 0 HG CYS A 86 3.676 6.478 -9.217 1.00 0.00 H new ATOM 1135 N SER A 87 0.696 2.786 -11.016 1.00 0.00 N ATOM 1136 CA SER A 87 -0.054 1.548 -11.193 1.00 0.00 C ATOM 1137 C SER A 87 0.445 0.469 -10.237 1.00 0.00 C ATOM 1138 O SER A 87 1.157 -0.452 -10.638 1.00 0.00 O ATOM 1139 CB SER A 87 0.064 1.059 -12.638 1.00 0.00 C ATOM 1140 OG SER A 87 -0.822 1.766 -13.489 1.00 0.00 O ATOM 0 H SER A 87 1.656 2.750 -11.357 1.00 0.00 H new ATOM 0 HA SER A 87 -1.101 1.751 -10.969 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.089 1.188 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.156 -0.008 -12.684 1.00 0.00 H new ATOM 0 HG SER A 87 -0.727 1.437 -14.407 1.00 0.00 H new ATOM 1146 N VAL A 88 0.065 0.589 -8.969 1.00 0.00 N ATOM 1147 CA VAL A 88 0.471 -0.375 -7.954 1.00 0.00 C ATOM 1148 C VAL A 88 -0.343 -1.660 -8.059 1.00 0.00 C ATOM 1149 O VAL A 88 -1.571 -1.623 -8.140 1.00 0.00 O ATOM 1150 CB VAL A 88 0.316 0.204 -6.535 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.709 -0.830 -5.491 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.146 1.469 -6.383 1.00 0.00 C ATOM 0 H VAL A 88 -0.524 1.345 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 88 1.523 -0.599 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.731 0.463 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.593 -0.403 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.068 -1.706 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.748 -1.123 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.025 1.865 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.197 1.238 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.812 2.212 -7.107 1.00 0.00 H new ATOM 1162 N SER A 89 0.348 -2.795 -8.056 1.00 0.00 N ATOM 1163 CA SER A 89 -0.311 -4.092 -8.154 1.00 0.00 C ATOM 1164 C SER A 89 0.092 -4.995 -6.993 1.00 0.00 C ATOM 1165 O SER A 89 1.278 -5.202 -6.736 1.00 0.00 O ATOM 1166 CB SER A 89 0.036 -4.765 -9.484 1.00 0.00 C ATOM 1167 OG SER A 89 1.436 -4.759 -9.708 1.00 0.00 O ATOM 0 H SER A 89 1.365 -2.843 -7.987 1.00 0.00 H new ATOM 0 HA SER A 89 -1.388 -3.929 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.331 -5.791 -9.483 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.468 -4.247 -10.300 1.00 0.00 H new ATOM 0 HG SER A 89 1.632 -5.196 -10.563 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.903 -5.531 -6.295 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.654 -6.410 -5.160 1.00 0.00 C ATOM 1175 C TYR A 90 -1.198 -7.810 -5.425 1.00 0.00 C ATOM 1176 O TYR A 90 -2.044 -8.005 -6.299 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.290 -5.835 -3.893 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.801 -5.819 -3.928 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.538 -6.922 -3.515 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.493 -4.699 -4.375 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.919 -6.911 -3.546 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.874 -4.679 -4.408 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.582 -5.787 -3.994 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.958 -5.772 -4.025 1.00 0.00 O ATOM 0 H TYR A 90 -1.890 -5.372 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 90 0.424 -6.480 -5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.961 -6.420 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.928 -4.818 -3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.022 -7.803 -3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.942 -3.830 -4.702 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.476 -7.777 -3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.396 -3.800 -4.756 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.273 -4.850 -4.131 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.708 -8.783 -4.664 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.145 -10.166 -4.815 1.00 0.00 C ATOM 1196 C LEU A 91 -1.476 -10.784 -3.460 1.00 0.00 C ATOM 1197 O LEU A 91 -0.593 -11.149 -2.684 1.00 0.00 O ATOM 1198 CB LEU A 91 -0.062 -10.991 -5.512 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.153 -11.066 -7.037 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.232 -11.220 -7.647 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -1.055 -12.216 -7.461 1.00 0.00 C ATOM 0 H LEU A 91 -0.008 -8.639 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.047 -10.170 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.910 -10.576 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.095 -12.006 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.587 -10.136 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.148 -11.272 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.848 -10.364 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.694 -12.135 -7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.108 -12.255 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.649 -13.155 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.055 -12.064 -7.054 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.780 -10.905 -3.168 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.258 -11.481 -1.907 1.00 0.00 C ATOM 1215 C PRO A 92 -2.998 -12.981 -1.819 1.00 0.00 C ATOM 1216 O PRO A 92 -2.533 -13.599 -2.778 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.763 -11.200 -1.938 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.098 -11.089 -3.385 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.887 -10.491 -4.046 1.00 0.00 C ATOM 0 HA PRO A 92 -2.748 -11.054 -1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.326 -12.003 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.005 -10.281 -1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.331 -12.066 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.975 -10.460 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.757 -10.866 -5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.961 -9.406 -4.114 1.00 0.00 H new ATOM 1227 N THR A 93 -3.301 -13.563 -0.663 1.00 0.00 N ATOM 1228 CA THR A 93 -3.100 -14.990 -0.450 1.00 0.00 C ATOM 1229 C THR A 93 -4.419 -15.693 -0.151 1.00 0.00 C ATOM 1230 O THR A 93 -4.702 -16.762 -0.692 1.00 0.00 O ATOM 1231 CB THR A 93 -2.117 -15.252 0.707 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.604 -14.647 1.910 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.737 -14.702 0.380 1.00 0.00 C ATOM 0 H THR A 93 -3.687 -13.067 0.141 1.00 0.00 H new ATOM 0 HA THR A 93 -2.679 -15.391 -1.372 1.00 0.00 H new ATOM 0 HB THR A 93 -2.037 -16.330 0.849 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.884 -14.613 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.060 -14.899 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.356 -15.186 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.804 -13.627 0.213 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.224 -15.087 0.715 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.515 -15.653 1.086 1.00 0.00 C ATOM 1243 C LYS A 94 -7.646 -14.675 0.780 1.00 0.00 C ATOM 1244 O LYS A 94 -7.479 -13.457 0.842 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.528 -16.016 2.572 1.00 0.00 C ATOM 1246 CG LYS A 94 -6.304 -14.826 3.491 1.00 0.00 C ATOM 1247 CD LYS A 94 -6.083 -15.266 4.928 1.00 0.00 C ATOM 1248 CE LYS A 94 -4.682 -15.822 5.131 1.00 0.00 C ATOM 1249 NZ LYS A 94 -4.645 -16.853 6.206 1.00 0.00 N ATOM 0 H LYS A 94 -5.004 -14.203 1.173 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.670 -16.557 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.485 -16.478 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.756 -16.762 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.441 -14.257 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.165 -14.160 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.240 -14.420 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.819 -16.025 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.325 -16.257 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.002 -15.009 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.673 -17.207 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.961 -16.431 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.275 -17.641 5.953 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.825 -15.219 0.444 1.00 0.00 N ATOM 1264 CA PRO A 95 -10.006 -14.413 0.124 1.00 0.00 C ATOM 1265 C PRO A 95 -10.572 -13.703 1.349 1.00 0.00 C ATOM 1266 O PRO A 95 -11.469 -14.217 2.017 1.00 0.00 O ATOM 1267 CB PRO A 95 -11.006 -15.443 -0.407 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.592 -16.730 0.219 1.00 0.00 C ATOM 1269 CD PRO A 95 -9.095 -16.664 0.350 1.00 0.00 C ATOM 0 HA PRO A 95 -9.777 -13.617 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.028 -15.180 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.973 -15.503 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.064 -16.860 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.893 -17.578 -0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.745 -17.197 1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.596 -17.111 -0.510 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.042 -12.519 1.640 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.508 -11.758 2.784 1.00 0.00 C ATOM 1279 C GLY A 96 -10.648 -10.280 2.480 1.00 0.00 C ATOM 1280 O GLY A 96 -11.472 -9.885 1.655 1.00 0.00 O ATOM 0 H GLY A 96 -9.298 -12.073 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.471 -12.151 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.812 -11.891 3.612 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.843 -9.460 3.149 1.00 0.00 N ATOM 1285 CA GLU A 97 -9.884 -8.017 2.946 1.00 0.00 C ATOM 1286 C GLU A 97 -8.514 -7.393 3.201 1.00 0.00 C ATOM 1287 O GLU A 97 -7.857 -7.696 4.197 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.926 -7.379 3.868 1.00 0.00 C ATOM 1289 CG GLU A 97 -10.680 -7.649 5.343 1.00 0.00 C ATOM 1290 CD GLU A 97 -11.043 -9.066 5.745 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -10.189 -9.964 5.586 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -12.179 -9.276 6.219 1.00 0.00 O ATOM 0 H GLU A 97 -9.155 -9.770 3.835 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.163 -7.829 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.936 -6.302 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.914 -7.752 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.630 -7.468 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.261 -6.946 5.939 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.091 -6.521 2.293 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.799 -5.856 2.416 1.00 0.00 C ATOM 1301 C TYR A 98 -6.967 -4.340 2.449 1.00 0.00 C ATOM 1302 O TYR A 98 -7.452 -3.736 1.492 1.00 0.00 O ATOM 1303 CB TYR A 98 -5.885 -6.253 1.256 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.614 -7.739 1.180 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.546 -8.607 0.623 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.428 -8.276 1.665 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.304 -9.965 0.551 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.177 -9.632 1.596 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.118 -10.473 1.039 1.00 0.00 C ATOM 1310 OH TYR A 98 -4.872 -11.825 0.970 1.00 0.00 O ATOM 0 H TYR A 98 -8.624 -6.258 1.464 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.344 -6.174 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.337 -5.926 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.937 -5.724 1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.476 -8.213 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.689 -7.621 2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.039 -10.625 0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.249 -10.032 1.976 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.722 -12.311 0.932 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.563 -3.731 3.558 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.668 -2.285 3.718 1.00 0.00 C ATOM 1322 C PHE A 99 -5.396 -1.591 3.241 1.00 0.00 C ATOM 1323 O PHE A 99 -4.358 -1.648 3.902 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.937 -1.931 5.183 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.320 -2.294 5.643 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.767 -3.603 5.572 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.173 -1.325 6.146 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.039 -3.939 5.993 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.447 -1.655 6.570 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.880 -2.965 6.494 1.00 0.00 C ATOM 0 H PHE A 99 -6.160 -4.216 4.360 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.501 -1.937 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.208 -2.442 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.785 -0.861 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.114 -4.370 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.839 -0.300 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.376 -4.963 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.102 -0.890 6.960 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.874 -3.227 6.826 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.484 -0.934 2.088 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.341 -0.228 1.522 1.00 0.00 C ATOM 1342 C VAL A 100 -4.158 1.136 2.177 1.00 0.00 C ATOM 1343 O VAL A 100 -4.939 2.057 1.944 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.497 -0.038 0.001 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.255 0.615 -0.585 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.777 -1.371 -0.676 1.00 0.00 C ATOM 0 H VAL A 100 -6.335 -0.876 1.528 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.461 -0.842 1.716 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.346 0.621 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.383 0.741 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.103 1.589 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.388 -0.017 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.884 -1.218 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.950 -2.056 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.698 -1.796 -0.276 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.120 1.258 2.998 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.833 2.510 3.687 1.00 0.00 C ATOM 1358 C ASN A 101 -2.095 3.480 2.770 1.00 0.00 C ATOM 1359 O ASN A 101 -0.920 3.282 2.458 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.002 2.246 4.944 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.745 1.403 5.963 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -2.882 0.114 5.677 1.00 0.00 O flip ATOM 1363 ND2 ASN A 101 -3.190 1.906 6.994 1.00 0.00 N flip ATOM 0 H ASN A 101 -2.464 0.504 3.202 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.782 2.962 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.077 1.742 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.723 3.197 5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.061 2.902 7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.688 1.327 7.670 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.791 4.528 2.342 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.201 5.529 1.463 1.00 0.00 C ATOM 1372 C ILE A 102 -1.970 6.843 2.202 1.00 0.00 C ATOM 1373 O ILE A 102 -2.919 7.550 2.545 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.092 5.794 0.234 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.346 4.492 -0.529 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.446 6.829 -0.674 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.472 4.591 -1.534 1.00 0.00 C ATOM 0 H ILE A 102 -3.764 4.706 2.590 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.243 5.130 1.129 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.050 6.186 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.432 4.199 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.575 3.701 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.087 7.006 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.311 7.761 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.476 6.463 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.596 3.632 -2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.397 4.853 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.236 5.359 -2.270 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.704 7.165 2.442 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.347 8.396 3.140 1.00 0.00 C ATOM 1391 C LEU A 103 0.760 9.139 2.399 1.00 0.00 C ATOM 1392 O LEU A 103 1.771 8.549 2.019 1.00 0.00 O ATOM 1393 CB LEU A 103 0.099 8.084 4.569 1.00 0.00 C ATOM 1394 CG LEU A 103 0.781 6.732 4.780 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.285 6.857 4.590 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.460 6.182 6.162 1.00 0.00 C ATOM 0 H LEU A 103 0.092 6.592 2.164 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.229 9.036 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.783 8.868 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.774 8.133 5.220 1.00 0.00 H new ATOM 0 HG LEU A 103 0.398 6.034 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.753 5.885 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.496 7.205 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.685 7.571 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.954 5.219 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.814 6.879 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.618 6.053 6.261 1.00 0.00 H new ATOM 1408 N PHE A 104 0.562 10.438 2.200 1.00 0.00 N ATOM 1409 CA PHE A 104 1.545 11.263 1.506 1.00 0.00 C ATOM 1410 C PHE A 104 2.334 12.116 2.495 1.00 0.00 C ATOM 1411 O PHE A 104 1.783 13.007 3.141 1.00 0.00 O ATOM 1412 CB PHE A 104 0.853 12.162 0.480 1.00 0.00 C ATOM 1413 CG PHE A 104 1.769 12.646 -0.608 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.538 11.750 -1.333 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.862 13.996 -0.904 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.382 12.191 -2.335 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.704 14.443 -1.905 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.466 13.540 -2.620 1.00 0.00 C ATOM 0 H PHE A 104 -0.269 10.942 2.509 1.00 0.00 H new ATOM 0 HA PHE A 104 2.239 10.600 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.025 11.615 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.425 13.023 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.477 10.694 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.270 14.707 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.975 11.482 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.766 15.498 -2.128 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.126 13.888 -3.401 1.00 0.00 H new ATOM 1428 N GLU A 105 3.629 11.834 2.608 1.00 0.00 N ATOM 1429 CA GLU A 105 4.494 12.574 3.520 1.00 0.00 C ATOM 1430 C GLU A 105 4.004 12.446 4.959 1.00 0.00 C ATOM 1431 O GLU A 105 4.008 13.417 5.715 1.00 0.00 O ATOM 1432 CB GLU A 105 4.551 14.050 3.118 1.00 0.00 C ATOM 1433 CG GLU A 105 5.347 14.305 1.849 1.00 0.00 C ATOM 1434 CD GLU A 105 6.011 15.668 1.841 1.00 0.00 C ATOM 1435 OE1 GLU A 105 6.399 16.146 2.927 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.143 16.256 0.747 1.00 0.00 O ATOM 0 H GLU A 105 4.101 11.100 2.080 1.00 0.00 H new ATOM 0 HA GLU A 105 5.495 12.148 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.535 14.420 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.991 14.623 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.109 13.533 1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.685 14.222 0.987 1.00 0.00 H new ATOM 1443 N GLU A 106 3.583 11.241 5.330 1.00 0.00 N ATOM 1444 CA GLU A 106 3.089 10.986 6.678 1.00 0.00 C ATOM 1445 C GLU A 106 1.707 11.602 6.876 1.00 0.00 C ATOM 1446 O GLU A 106 1.341 11.989 7.986 1.00 0.00 O ATOM 1447 CB GLU A 106 4.063 11.546 7.716 1.00 0.00 C ATOM 1448 CG GLU A 106 5.522 11.266 7.395 1.00 0.00 C ATOM 1449 CD GLU A 106 6.421 11.391 8.610 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.742 12.535 8.995 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.803 10.345 9.176 1.00 0.00 O ATOM 0 H GLU A 106 3.574 10.426 4.716 1.00 0.00 H new ATOM 0 HA GLU A 106 3.009 9.907 6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.917 12.623 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.826 11.120 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.613 10.261 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.860 11.959 6.625 1.00 0.00 H new ATOM 1458 N VAL A 107 0.944 11.691 5.792 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.398 12.259 5.846 1.00 0.00 C ATOM 1460 C VAL A 107 -1.409 11.346 5.162 1.00 0.00 C ATOM 1461 O VAL A 107 -1.395 11.191 3.941 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.446 13.648 5.182 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.727 14.376 5.558 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.776 14.467 5.571 1.00 0.00 C ATOM 0 H VAL A 107 1.232 11.377 4.865 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.658 12.359 6.900 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.437 13.515 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.743 15.355 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.587 13.795 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.771 14.500 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.726 15.445 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.800 14.593 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.679 13.950 5.246 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.287 10.744 5.958 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.308 9.847 5.430 1.00 0.00 C ATOM 1476 C HIS A 108 -4.242 10.587 4.477 1.00 0.00 C ATOM 1477 O HIS A 108 -4.910 11.545 4.867 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.113 9.226 6.572 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.549 7.930 7.067 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.163 6.713 6.858 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.419 7.665 7.763 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.437 5.756 7.407 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.372 6.307 7.962 1.00 0.00 N ATOM 0 H HIS A 108 -2.312 10.861 6.971 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.807 9.053 4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.158 9.933 7.400 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.137 9.063 6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.690 8.387 8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.674 4.702 7.403 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.635 5.805 8.458 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.284 10.137 3.228 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.136 10.756 2.221 1.00 0.00 C ATOM 1494 C ILE A 109 -6.611 10.538 2.539 1.00 0.00 C ATOM 1495 O ILE A 109 -6.996 9.555 3.173 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.839 10.203 0.814 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.237 8.729 0.727 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.366 10.381 0.476 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.636 8.292 -0.665 1.00 0.00 C ATOM 0 H ILE A 109 -3.737 9.345 2.889 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.917 11.824 2.237 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.429 10.762 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.403 8.115 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.067 8.544 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.171 9.986 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.112 11.441 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.758 9.844 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.906 7.236 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.490 8.880 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.800 8.444 -1.348 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.459 11.475 2.088 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.906 11.406 2.311 1.00 0.00 C ATOM 1513 C PRO A 110 -9.563 10.286 1.511 1.00 0.00 C ATOM 1514 O PRO A 110 -10.119 10.520 0.439 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.404 12.771 1.830 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.384 13.219 0.841 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.070 12.673 1.326 1.00 0.00 C ATOM 0 HA PRO A 110 -9.149 11.191 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.391 12.694 1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.489 13.475 2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.617 12.846 -0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.355 14.307 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.408 12.424 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.542 13.393 1.951 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.496 9.068 2.040 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.089 7.931 1.362 1.00 0.00 C ATOM 1527 C GLY A 111 -9.437 6.619 1.751 1.00 0.00 C ATOM 1528 O GLY A 111 -9.971 5.546 1.472 1.00 0.00 O ATOM 0 H GLY A 111 -9.041 8.849 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.153 7.887 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.004 8.070 0.284 1.00 0.00 H new ATOM 1532 N SER A 112 -8.278 6.705 2.396 1.00 0.00 N ATOM 1533 CA SER A 112 -7.549 5.515 2.819 1.00 0.00 C ATOM 1534 C SER A 112 -7.716 5.279 4.317 1.00 0.00 C ATOM 1535 O SER A 112 -7.979 6.201 5.091 1.00 0.00 O ATOM 1536 CB SER A 112 -6.064 5.651 2.475 1.00 0.00 C ATOM 1537 OG SER A 112 -5.341 6.218 3.553 1.00 0.00 O ATOM 0 H SER A 112 -7.824 7.586 2.637 1.00 0.00 H new ATOM 0 HA SER A 112 -7.961 4.658 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.652 4.671 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.948 6.274 1.588 1.00 0.00 H new ATOM 0 HG SER A 112 -4.535 6.659 3.211 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.559 4.015 4.738 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.247 2.911 3.826 1.00 0.00 C ATOM 1545 C PRO A 113 -8.417 2.565 2.911 1.00 0.00 C ATOM 1546 O PRO A 113 -9.517 3.095 3.067 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.945 1.745 4.772 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.690 2.068 6.021 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.676 3.567 6.135 1.00 0.00 C ATOM 0 HA PRO A 113 -6.425 3.158 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.274 0.796 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.875 1.655 4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.711 1.690 5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.217 1.606 6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.586 3.943 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.839 3.916 6.740 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.173 1.673 1.957 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.207 1.257 1.017 1.00 0.00 C ATOM 1559 C PHE A 114 -9.520 -0.227 1.175 1.00 0.00 C ATOM 1560 O PHE A 114 -8.773 -1.086 0.706 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.766 1.547 -0.420 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.871 2.996 -0.799 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.917 3.908 -0.376 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.925 3.447 -1.577 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.011 5.242 -0.723 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.024 4.780 -1.928 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.066 5.679 -1.500 1.00 0.00 C ATOM 0 H PHE A 114 -7.268 1.224 1.814 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.111 1.826 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.734 1.220 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.374 0.956 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.090 3.572 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.678 2.749 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.260 5.942 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.850 5.119 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.142 6.721 -1.772 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.632 -0.523 1.840 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.047 -1.903 2.061 1.00 0.00 C ATOM 1579 C LYS A 115 -11.305 -2.613 0.736 1.00 0.00 C ATOM 1580 O LYS A 115 -12.187 -2.221 -0.027 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.308 -1.946 2.928 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.563 -3.301 3.565 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.990 -3.418 4.073 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.243 -2.486 5.247 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.670 -2.069 5.327 1.00 0.00 N ATOM 0 H LYS A 115 -11.262 0.175 2.235 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.239 -2.420 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.224 -1.195 3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.168 -1.674 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.369 -4.089 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.868 -3.452 4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.685 -3.185 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.186 -4.447 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.958 -2.984 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -13.611 -1.603 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.801 -1.434 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.936 -1.571 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.271 -2.910 5.443 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.531 -3.660 0.470 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.679 -4.426 -0.761 1.00 0.00 C ATOM 1601 C ALA A 116 -11.086 -5.865 -0.467 1.00 0.00 C ATOM 1602 O ALA A 116 -10.262 -6.682 -0.054 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.384 -4.394 -1.561 1.00 0.00 C ATOM 0 H ALA A 116 -9.795 -3.997 1.091 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.471 -3.967 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.508 -4.970 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.136 -3.362 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.579 -4.827 -0.967 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.361 -6.170 -0.681 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.878 -7.512 -0.439 1.00 0.00 C ATOM 1611 C ASP A 117 -12.454 -8.467 -1.551 1.00 0.00 C ATOM 1612 O ASP A 117 -12.879 -8.326 -2.698 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.403 -7.482 -0.329 1.00 0.00 C ATOM 1614 CG ASP A 117 -14.876 -7.151 1.073 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.939 -8.074 1.911 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.183 -5.968 1.331 1.00 0.00 O ATOM 0 H ASP A 117 -13.056 -5.506 -1.022 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.461 -7.871 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.800 -6.745 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.805 -8.451 -0.626 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.614 -9.436 -1.204 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.134 -10.413 -2.173 1.00 0.00 C ATOM 1623 C ILE A 118 -12.033 -11.644 -2.204 1.00 0.00 C ATOM 1624 O ILE A 118 -12.544 -12.077 -1.172 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.691 -10.852 -1.861 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.752 -9.644 -1.875 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.228 -11.901 -2.862 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.733 -8.909 -3.197 1.00 0.00 C ATOM 0 H ILE A 118 -11.252 -9.565 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.155 -9.927 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.669 -11.294 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.052 -8.952 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.741 -9.977 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.207 -12.201 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.883 -12.770 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.262 -11.484 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.046 -8.065 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.404 -9.586 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.735 -8.545 -3.426 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.219 -12.204 -3.395 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.055 -13.387 -3.560 1.00 0.00 C ATOM 1642 C GLU A 119 -12.311 -14.477 -4.326 1.00 0.00 C ATOM 1643 O GLU A 119 -11.376 -14.196 -5.075 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.349 -13.026 -4.293 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.198 -12.001 -3.560 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.596 -11.883 -4.134 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -17.396 -12.823 -3.943 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -16.890 -10.852 -4.775 1.00 0.00 O ATOM 0 H GLU A 119 -11.802 -11.858 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.301 -13.767 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.101 -12.640 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.937 -13.932 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.264 -12.275 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.707 -11.029 -3.606 1.00 0.00 H new ATOM 1655 N MET A 120 -12.734 -15.722 -4.132 1.00 0.00 N ATOM 1656 CA MET A 120 -12.109 -16.855 -4.805 1.00 0.00 C ATOM 1657 C MET A 120 -12.454 -16.863 -6.291 1.00 0.00 C ATOM 1658 O MET A 120 -13.621 -16.825 -6.681 1.00 0.00 O ATOM 1659 CB MET A 120 -12.553 -18.168 -4.159 1.00 0.00 C ATOM 1660 CG MET A 120 -11.711 -18.571 -2.959 1.00 0.00 C ATOM 1661 SD MET A 120 -10.144 -19.326 -3.433 1.00 0.00 S ATOM 1662 CE MET A 120 -9.352 -19.493 -1.836 1.00 0.00 C ATOM 0 H MET A 120 -13.507 -15.972 -3.515 1.00 0.00 H new ATOM 0 HA MET A 120 -11.028 -16.755 -4.702 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.594 -18.077 -3.848 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.512 -18.962 -4.904 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.515 -17.692 -2.345 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.275 -19.271 -2.342 1.00 0.00 H new ATOM 0 HE1 MET A 120 -8.588 -18.723 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.096 -19.381 -1.047 1.00 0.00 H new ATOM 0 HE3 MET A 120 -8.889 -20.477 -1.761 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.417 -16.914 -7.140 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.587 -16.928 -8.596 1.00 0.00 C ATOM 1674 C PRO A 121 -12.187 -18.238 -9.097 1.00 0.00 C ATOM 1675 O PRO A 121 -11.902 -19.308 -8.560 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.159 -16.760 -9.121 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.290 -17.284 -8.030 1.00 0.00 C ATOM 1678 CD PRO A 121 -10.000 -16.962 -6.745 1.00 0.00 C ATOM 0 HA PRO A 121 -12.275 -16.152 -8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.010 -17.315 -10.047 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.937 -15.715 -9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.139 -18.358 -8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.305 -16.819 -8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.820 -17.723 -5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.666 -16.011 -6.329 1.00 0.00 H new