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= 0.175 K(o=-0.16,f=-0.69) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.333 K(o=-0.16,f=-0.92) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 87 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 72 CYS SG : rot 155:sc= -0.129 USER MOD Set 3.2: A 93 THR OG1 : rot 180:sc= 0.562 USER MOD Set 3.3: A 98 TYR OH : rot -136:sc= 0.674 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+ -171:sc= 0.611 (180deg=0.512) USER MOD Single : A 37 HIS : no HE2:sc= -0.785 K(o=-0.78,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= -0.373 (180deg=-0.376) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -11:sc= 1.11 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.946 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 30:sc= 0.223 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 80:sc= 0.00515 USER MOD Single : A 89 SER OG : rot 38:sc= 0.101 USER MOD Single : A 90 TYR OH : rot 169:sc= 0.332 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -127:sc= -0.404 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -154:sc= -0.0392 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.149 19.663 -2.016 1.00 0.00 N ATOM 363 CA PRO A 29 2.491 18.364 -1.844 1.00 0.00 C ATOM 364 C PRO A 29 1.170 18.479 -1.091 1.00 0.00 C ATOM 365 O PRO A 29 1.102 19.099 -0.029 1.00 0.00 O ATOM 366 CB PRO A 29 3.505 17.559 -1.026 1.00 0.00 C ATOM 367 CG PRO A 29 4.300 18.583 -0.294 1.00 0.00 C ATOM 368 CD PRO A 29 4.370 19.780 -1.201 1.00 0.00 C ATOM 0 HA PRO A 29 2.234 17.907 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.006 16.878 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.140 16.951 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.827 18.839 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.298 18.210 -0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.388 20.712 -0.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.268 19.764 -1.818 1.00 0.00 H new ATOM 376 N ASP A 30 0.124 17.877 -1.646 1.00 0.00 N ATOM 377 CA ASP A 30 -1.195 17.910 -1.026 1.00 0.00 C ATOM 378 C ASP A 30 -1.864 16.541 -1.098 1.00 0.00 C ATOM 379 O ASP A 30 -2.030 15.960 -2.171 1.00 0.00 O ATOM 380 CB ASP A 30 -2.076 18.959 -1.706 1.00 0.00 C ATOM 381 CG ASP A 30 -3.168 19.480 -0.792 1.00 0.00 C ATOM 382 OD1 ASP A 30 -3.994 18.665 -0.331 1.00 0.00 O ATOM 383 OD2 ASP A 30 -3.195 20.702 -0.538 1.00 0.00 O ATOM 0 H ASP A 30 0.164 17.360 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.069 18.178 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.455 19.792 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.529 18.526 -2.598 1.00 0.00 H new ATOM 388 N PRO A 31 -2.257 16.011 0.070 1.00 0.00 N ATOM 389 CA PRO A 31 -2.914 14.704 0.165 1.00 0.00 C ATOM 390 C PRO A 31 -4.324 14.721 -0.414 1.00 0.00 C ATOM 391 O PRO A 31 -4.744 13.772 -1.077 1.00 0.00 O ATOM 392 CB PRO A 31 -2.958 14.438 1.672 1.00 0.00 C ATOM 393 CG PRO A 31 -2.927 15.791 2.296 1.00 0.00 C ATOM 394 CD PRO A 31 -2.091 16.648 1.387 1.00 0.00 C ATOM 0 HA PRO A 31 -2.383 13.939 -0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.860 13.893 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.109 13.834 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.934 16.197 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.497 15.749 3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.436 17.682 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.046 16.663 1.697 1.00 0.00 H new ATOM 402 N SER A 32 -5.051 15.804 -0.160 1.00 0.00 N ATOM 403 CA SER A 32 -6.416 15.942 -0.653 1.00 0.00 C ATOM 404 C SER A 32 -6.468 15.755 -2.167 1.00 0.00 C ATOM 405 O SER A 32 -7.492 15.354 -2.720 1.00 0.00 O ATOM 406 CB SER A 32 -6.981 17.313 -0.278 1.00 0.00 C ATOM 407 OG SER A 32 -7.138 17.433 1.126 1.00 0.00 O ATOM 0 H SER A 32 -4.717 16.599 0.385 1.00 0.00 H new ATOM 0 HA SER A 32 -7.024 15.167 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.315 18.096 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.943 17.460 -0.769 1.00 0.00 H new ATOM 0 HG SER A 32 -7.499 18.319 1.340 1.00 0.00 H new ATOM 413 N LYS A 33 -5.356 16.050 -2.831 1.00 0.00 N ATOM 414 CA LYS A 33 -5.271 15.914 -4.280 1.00 0.00 C ATOM 415 C LYS A 33 -5.015 14.464 -4.677 1.00 0.00 C ATOM 416 O LYS A 33 -5.277 14.065 -5.812 1.00 0.00 O ATOM 417 CB LYS A 33 -4.159 16.809 -4.833 1.00 0.00 C ATOM 418 CG LYS A 33 -4.380 18.288 -4.566 1.00 0.00 C ATOM 419 CD LYS A 33 -5.384 18.886 -5.537 1.00 0.00 C ATOM 420 CE LYS A 33 -5.951 20.197 -5.014 1.00 0.00 C ATOM 421 NZ LYS A 33 -4.921 21.272 -4.977 1.00 0.00 N ATOM 0 H LYS A 33 -4.500 16.385 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.225 16.225 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.208 16.507 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.077 16.651 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.734 18.425 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.432 18.819 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.904 19.055 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.196 18.178 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.781 20.511 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.353 20.045 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.347 22.149 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.140 20.983 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.555 21.436 -5.937 1.00 0.00 H new ATOM 435 N VAL A 34 -4.503 13.679 -3.735 1.00 0.00 N ATOM 436 CA VAL A 34 -4.214 12.272 -3.985 1.00 0.00 C ATOM 437 C VAL A 34 -5.491 11.440 -3.982 1.00 0.00 C ATOM 438 O VAL A 34 -6.008 11.078 -2.925 1.00 0.00 O ATOM 439 CB VAL A 34 -3.241 11.703 -2.936 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.984 10.225 -3.191 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.938 12.487 -2.938 1.00 0.00 C ATOM 0 H VAL A 34 -4.280 13.994 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.749 12.215 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.697 11.803 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.294 9.841 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.925 9.677 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.549 10.097 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.262 12.071 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.475 12.421 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.141 13.532 -2.702 1.00 0.00 H new ATOM 451 N LYS A 35 -5.997 11.138 -5.173 1.00 0.00 N ATOM 452 CA LYS A 35 -7.214 10.347 -5.310 1.00 0.00 C ATOM 453 C LYS A 35 -6.905 8.970 -5.890 1.00 0.00 C ATOM 454 O LYS A 35 -6.215 8.853 -6.902 1.00 0.00 O ATOM 455 CB LYS A 35 -8.223 11.074 -6.203 1.00 0.00 C ATOM 456 CG LYS A 35 -9.089 12.072 -5.454 1.00 0.00 C ATOM 457 CD LYS A 35 -8.421 13.434 -5.366 1.00 0.00 C ATOM 458 CE LYS A 35 -9.394 14.503 -4.894 1.00 0.00 C ATOM 459 NZ LYS A 35 -9.895 14.229 -3.519 1.00 0.00 N ATOM 0 H LYS A 35 -5.582 11.430 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.646 10.216 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.685 11.595 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.866 10.337 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.051 12.169 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.290 11.699 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.575 13.382 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.023 13.709 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.903 15.476 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.237 14.557 -5.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.665 14.890 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.250 13.253 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.120 14.353 -2.836 1.00 0.00 H new ATOM 473 N ALA A 36 -7.423 7.931 -5.243 1.00 0.00 N ATOM 474 CA ALA A 36 -7.205 6.563 -5.697 1.00 0.00 C ATOM 475 C ALA A 36 -8.487 5.962 -6.264 1.00 0.00 C ATOM 476 O ALA A 36 -9.487 5.830 -5.558 1.00 0.00 O ATOM 477 CB ALA A 36 -6.677 5.706 -4.557 1.00 0.00 C ATOM 0 H ALA A 36 -7.996 8.011 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.462 6.585 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.519 4.687 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.733 6.117 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.401 5.699 -3.742 1.00 0.00 H new ATOM 483 N HIS A 37 -8.451 5.599 -7.542 1.00 0.00 N ATOM 484 CA HIS A 37 -9.610 5.012 -8.203 1.00 0.00 C ATOM 485 C HIS A 37 -9.193 3.856 -9.108 1.00 0.00 C ATOM 486 O HIS A 37 -8.378 4.027 -10.013 1.00 0.00 O ATOM 487 CB HIS A 37 -10.350 6.072 -9.019 1.00 0.00 C ATOM 488 CG HIS A 37 -9.441 6.961 -9.811 1.00 0.00 C ATOM 489 ND1 HIS A 37 -8.861 6.576 -11.001 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.014 8.224 -9.577 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.115 7.563 -11.464 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.191 8.575 -10.619 1.00 0.00 N ATOM 0 H HIS A 37 -7.631 5.701 -8.140 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.278 4.625 -7.433 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.043 5.577 -9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.948 6.685 -8.345 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -8.988 5.671 -11.453 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.272 8.841 -8.729 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.540 7.545 -12.378 1.00 0.00 H new ATOM 501 N GLY A 38 -9.757 2.679 -8.856 1.00 0.00 N ATOM 502 CA GLY A 38 -9.430 1.513 -9.655 1.00 0.00 C ATOM 503 C GLY A 38 -9.980 0.231 -9.063 1.00 0.00 C ATOM 504 O GLY A 38 -10.674 0.239 -8.046 1.00 0.00 O ATOM 0 H GLY A 38 -10.435 2.512 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.826 1.644 -10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.347 1.432 -9.747 1.00 0.00 H new ATOM 508 N PRO A 39 -9.668 -0.904 -9.706 1.00 0.00 N ATOM 509 CA PRO A 39 -10.127 -2.221 -9.254 1.00 0.00 C ATOM 510 C PRO A 39 -9.453 -2.656 -7.958 1.00 0.00 C ATOM 511 O PRO A 39 -10.109 -3.145 -7.039 1.00 0.00 O ATOM 512 CB PRO A 39 -9.725 -3.150 -10.403 1.00 0.00 C ATOM 513 CG PRO A 39 -8.579 -2.463 -11.063 1.00 0.00 C ATOM 514 CD PRO A 39 -8.844 -0.989 -10.924 1.00 0.00 C ATOM 0 HA PRO A 39 -11.195 -2.228 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.437 -4.134 -10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.551 -3.299 -11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.636 -2.736 -10.590 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.504 -2.749 -12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.919 -0.422 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.369 -0.591 -11.793 1.00 0.00 H new ATOM 522 N GLY A 40 -8.137 -2.475 -7.890 1.00 0.00 N ATOM 523 CA GLY A 40 -7.397 -2.854 -6.700 1.00 0.00 C ATOM 524 C GLY A 40 -8.006 -2.287 -5.433 1.00 0.00 C ATOM 525 O GLY A 40 -7.747 -2.783 -4.336 1.00 0.00 O ATOM 0 H GLY A 40 -7.571 -2.073 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.363 -3.941 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.367 -2.508 -6.791 1.00 0.00 H new ATOM 529 N LEU A 41 -8.816 -1.245 -5.583 1.00 0.00 N ATOM 530 CA LEU A 41 -9.462 -0.609 -4.440 1.00 0.00 C ATOM 531 C LEU A 41 -10.770 -1.313 -4.093 1.00 0.00 C ATOM 532 O LEU A 41 -11.038 -1.603 -2.928 1.00 0.00 O ATOM 533 CB LEU A 41 -9.728 0.868 -4.737 1.00 0.00 C ATOM 534 CG LEU A 41 -8.521 1.689 -5.191 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.965 3.043 -5.722 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.532 1.861 -4.048 1.00 0.00 C ATOM 0 H LEU A 41 -9.041 -0.823 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.791 -0.687 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.496 0.930 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.140 1.330 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.023 1.151 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.092 3.613 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.634 2.899 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.488 3.588 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.679 2.448 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.019 2.376 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.188 0.882 -3.714 1.00 0.00 H new ATOM 548 N GLU A 42 -11.578 -1.585 -5.112 1.00 0.00 N ATOM 549 CA GLU A 42 -12.857 -2.257 -4.914 1.00 0.00 C ATOM 550 C GLU A 42 -12.650 -3.715 -4.516 1.00 0.00 C ATOM 551 O GLU A 42 -13.455 -4.292 -3.786 1.00 0.00 O ATOM 552 CB GLU A 42 -13.703 -2.179 -6.187 1.00 0.00 C ATOM 553 CG GLU A 42 -13.426 -3.303 -7.171 1.00 0.00 C ATOM 554 CD GLU A 42 -14.282 -4.528 -6.912 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.357 -4.382 -6.293 1.00 0.00 O ATOM 556 OE2 GLU A 42 -13.877 -5.633 -7.330 1.00 0.00 O ATOM 0 H GLU A 42 -11.370 -1.351 -6.083 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.383 -1.749 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.758 -2.198 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.518 -1.224 -6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.606 -2.946 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.374 -3.581 -7.113 1.00 0.00 H new ATOM 563 N GLY A 43 -11.563 -4.307 -5.003 1.00 0.00 N ATOM 564 CA GLY A 43 -11.269 -5.693 -4.689 1.00 0.00 C ATOM 565 C GLY A 43 -10.605 -6.420 -5.842 1.00 0.00 C ATOM 566 O GLY A 43 -10.109 -5.794 -6.777 1.00 0.00 O ATOM 0 H GLY A 43 -10.881 -3.851 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.619 -5.734 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.193 -6.206 -4.424 1.00 0.00 H new ATOM 570 N GLY A 44 -10.594 -7.748 -5.774 1.00 0.00 N ATOM 571 CA GLY A 44 -9.981 -8.539 -6.825 1.00 0.00 C ATOM 572 C GLY A 44 -10.234 -10.024 -6.655 1.00 0.00 C ATOM 573 O GLY A 44 -11.301 -10.431 -6.191 1.00 0.00 O ATOM 0 H GLY A 44 -10.998 -8.290 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.368 -8.216 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.907 -8.355 -6.834 1.00 0.00 H new ATOM 577 N LEU A 45 -9.254 -10.837 -7.033 1.00 0.00 N ATOM 578 CA LEU A 45 -9.376 -12.286 -6.922 1.00 0.00 C ATOM 579 C LEU A 45 -8.101 -12.898 -6.348 1.00 0.00 C ATOM 580 O LEU A 45 -6.994 -12.466 -6.670 1.00 0.00 O ATOM 581 CB LEU A 45 -9.678 -12.899 -8.290 1.00 0.00 C ATOM 582 CG LEU A 45 -11.013 -12.504 -8.922 1.00 0.00 C ATOM 583 CD1 LEU A 45 -11.040 -12.886 -10.394 1.00 0.00 C ATOM 584 CD2 LEU A 45 -12.169 -13.157 -8.178 1.00 0.00 C ATOM 0 H LEU A 45 -8.366 -10.517 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.200 -12.505 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.878 -12.620 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.651 -13.984 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.123 -11.422 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.998 -12.597 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.235 -12.372 -10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.907 -13.963 -10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.111 -12.865 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.064 -14.241 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.161 -12.833 -7.137 1.00 0.00 H new ATOM 596 N VAL A 46 -8.265 -13.906 -5.498 1.00 0.00 N ATOM 597 CA VAL A 46 -7.128 -14.580 -4.882 1.00 0.00 C ATOM 598 C VAL A 46 -6.187 -15.148 -5.939 1.00 0.00 C ATOM 599 O VAL A 46 -6.629 -15.707 -6.942 1.00 0.00 O ATOM 600 CB VAL A 46 -7.587 -15.720 -3.953 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.386 -16.442 -3.362 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.489 -15.180 -2.854 1.00 0.00 C ATOM 0 H VAL A 46 -9.175 -14.274 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.598 -13.832 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.159 -16.438 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.729 -17.244 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.782 -16.862 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.785 -15.738 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.804 -15.999 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.944 -14.442 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.366 -14.712 -3.301 1.00 0.00 H new ATOM 612 N GLY A 47 -4.887 -15.000 -5.707 1.00 0.00 N ATOM 613 CA GLY A 47 -3.903 -15.503 -6.648 1.00 0.00 C ATOM 614 C GLY A 47 -3.643 -14.538 -7.787 1.00 0.00 C ATOM 615 O GLY A 47 -2.541 -14.495 -8.335 1.00 0.00 O ATOM 0 H GLY A 47 -4.497 -14.541 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.969 -15.699 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.246 -16.455 -7.054 1.00 0.00 H new ATOM 619 N LYS A 48 -4.659 -13.761 -8.146 1.00 0.00 N ATOM 620 CA LYS A 48 -4.537 -12.791 -9.228 1.00 0.00 C ATOM 621 C LYS A 48 -4.126 -11.425 -8.689 1.00 0.00 C ATOM 622 O LYS A 48 -4.475 -11.040 -7.573 1.00 0.00 O ATOM 623 CB LYS A 48 -5.860 -12.675 -9.988 1.00 0.00 C ATOM 624 CG LYS A 48 -5.972 -13.630 -11.164 1.00 0.00 C ATOM 625 CD LYS A 48 -7.318 -13.506 -11.857 1.00 0.00 C ATOM 626 CE LYS A 48 -8.342 -14.458 -11.259 1.00 0.00 C ATOM 627 NZ LYS A 48 -9.366 -14.870 -12.259 1.00 0.00 N ATOM 0 H LYS A 48 -5.577 -13.784 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.763 -13.141 -9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.683 -12.863 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.974 -11.653 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.174 -13.425 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.834 -14.654 -10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.679 -12.481 -11.772 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.202 -13.716 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.834 -15.342 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.833 -13.978 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.084 -15.464 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.821 -14.024 -12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.909 -15.410 -13.022 1.00 0.00 H new ATOM 641 N PRO A 49 -3.367 -10.672 -9.500 1.00 0.00 N ATOM 642 CA PRO A 49 -2.894 -9.336 -9.126 1.00 0.00 C ATOM 643 C PRO A 49 -4.025 -8.314 -9.074 1.00 0.00 C ATOM 644 O PRO A 49 -5.097 -8.531 -9.638 1.00 0.00 O ATOM 645 CB PRO A 49 -1.907 -8.984 -10.241 1.00 0.00 C ATOM 646 CG PRO A 49 -2.352 -9.792 -11.411 1.00 0.00 C ATOM 647 CD PRO A 49 -2.913 -11.067 -10.843 1.00 0.00 C ATOM 0 HA PRO A 49 -2.454 -9.324 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.928 -7.918 -10.466 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.884 -9.230 -9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.105 -9.258 -11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.519 -9.997 -12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.735 -11.449 -11.449 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.159 -11.852 -10.797 1.00 0.00 H new ATOM 655 N ALA A 50 -3.778 -7.199 -8.394 1.00 0.00 N ATOM 656 CA ALA A 50 -4.775 -6.143 -8.271 1.00 0.00 C ATOM 657 C ALA A 50 -4.113 -4.780 -8.103 1.00 0.00 C ATOM 658 O ALA A 50 -3.397 -4.543 -7.131 1.00 0.00 O ATOM 659 CB ALA A 50 -5.705 -6.428 -7.101 1.00 0.00 C ATOM 0 H ALA A 50 -2.896 -7.004 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.361 -6.122 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.444 -5.631 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.213 -7.379 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.125 -6.479 -6.179 1.00 0.00 H new ATOM 665 N GLU A 51 -4.357 -3.887 -9.058 1.00 0.00 N ATOM 666 CA GLU A 51 -3.781 -2.548 -9.015 1.00 0.00 C ATOM 667 C GLU A 51 -4.865 -1.485 -9.170 1.00 0.00 C ATOM 668 O GLU A 51 -6.033 -1.802 -9.398 1.00 0.00 O ATOM 669 CB GLU A 51 -2.730 -2.384 -10.115 1.00 0.00 C ATOM 670 CG GLU A 51 -3.125 -3.027 -11.434 1.00 0.00 C ATOM 671 CD GLU A 51 -3.976 -2.116 -12.295 1.00 0.00 C ATOM 672 OE1 GLU A 51 -3.487 -1.031 -12.674 1.00 0.00 O ATOM 673 OE2 GLU A 51 -5.131 -2.486 -12.591 1.00 0.00 O ATOM 0 H GLU A 51 -4.949 -4.067 -9.869 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.303 -2.417 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.549 -1.321 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.790 -2.819 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.225 -3.303 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.672 -3.948 -11.235 1.00 0.00 H new ATOM 680 N PHE A 52 -4.470 -0.222 -9.045 1.00 0.00 N ATOM 681 CA PHE A 52 -5.407 0.888 -9.169 1.00 0.00 C ATOM 682 C PHE A 52 -4.722 2.114 -9.766 1.00 0.00 C ATOM 683 O PHE A 52 -3.509 2.119 -9.982 1.00 0.00 O ATOM 684 CB PHE A 52 -6.002 1.237 -7.804 1.00 0.00 C ATOM 685 CG PHE A 52 -5.014 1.140 -6.677 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.454 -0.079 -6.331 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.644 2.269 -5.963 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.544 -0.172 -5.295 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.734 2.183 -4.926 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.185 0.961 -4.591 1.00 0.00 C ATOM 0 H PHE A 52 -3.507 0.058 -8.858 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.210 0.579 -9.839 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.402 2.250 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.840 0.570 -7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.732 -0.968 -6.878 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.072 3.227 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.114 -1.129 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.453 3.070 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.476 0.891 -3.780 1.00 0.00 H new ATOM 700 N THR A 53 -5.507 3.153 -10.031 1.00 0.00 N ATOM 701 CA THR A 53 -4.978 4.384 -10.605 1.00 0.00 C ATOM 702 C THR A 53 -4.919 5.495 -9.563 1.00 0.00 C ATOM 703 O THR A 53 -5.952 5.955 -9.074 1.00 0.00 O ATOM 704 CB THR A 53 -5.828 4.859 -11.798 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.027 3.780 -12.718 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.157 6.023 -12.512 1.00 0.00 C ATOM 0 H THR A 53 -6.512 3.167 -9.857 1.00 0.00 H new ATOM 0 HA THR A 53 -3.969 4.162 -10.953 1.00 0.00 H new ATOM 0 HB THR A 53 -6.793 5.194 -11.417 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.570 4.090 -13.473 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.776 6.341 -13.351 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.033 6.854 -11.817 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.180 5.710 -12.880 1.00 0.00 H new ATOM 714 N ILE A 54 -3.707 5.923 -9.227 1.00 0.00 N ATOM 715 CA ILE A 54 -3.515 6.982 -8.244 1.00 0.00 C ATOM 716 C ILE A 54 -3.184 8.307 -8.922 1.00 0.00 C ATOM 717 O ILE A 54 -2.293 8.378 -9.767 1.00 0.00 O ATOM 718 CB ILE A 54 -2.392 6.631 -7.251 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.677 5.287 -6.578 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.244 7.730 -6.209 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.566 4.820 -5.665 1.00 0.00 C ATOM 0 H ILE A 54 -2.842 5.552 -9.621 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.453 7.080 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.454 6.549 -7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.599 5.366 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.845 4.533 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.446 7.467 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.000 8.670 -6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.180 7.841 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.837 3.861 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.646 4.708 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.413 5.554 -4.874 1.00 0.00 H new ATOM 733 N ASP A 55 -3.907 9.355 -8.543 1.00 0.00 N ATOM 734 CA ASP A 55 -3.689 10.681 -9.111 1.00 0.00 C ATOM 735 C ASP A 55 -2.795 11.520 -8.204 1.00 0.00 C ATOM 736 O ASP A 55 -3.235 12.017 -7.166 1.00 0.00 O ATOM 737 CB ASP A 55 -5.025 11.391 -9.331 1.00 0.00 C ATOM 738 CG ASP A 55 -4.858 12.750 -9.982 1.00 0.00 C ATOM 739 OD1 ASP A 55 -3.935 13.491 -9.582 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.649 13.072 -10.893 1.00 0.00 O ATOM 0 H ASP A 55 -4.649 9.312 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.189 10.560 -10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.665 10.768 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.532 11.510 -8.373 1.00 0.00 H new ATOM 745 N THR A 56 -1.535 11.675 -8.601 1.00 0.00 N ATOM 746 CA THR A 56 -0.579 12.453 -7.823 1.00 0.00 C ATOM 747 C THR A 56 -0.299 13.799 -8.482 1.00 0.00 C ATOM 748 O THR A 56 0.176 14.732 -7.835 1.00 0.00 O ATOM 749 CB THR A 56 0.750 11.694 -7.647 1.00 0.00 C ATOM 750 OG1 THR A 56 1.346 11.447 -8.925 1.00 0.00 O ATOM 751 CG2 THR A 56 0.529 10.376 -6.921 1.00 0.00 C ATOM 0 H THR A 56 -1.153 11.272 -9.457 1.00 0.00 H new ATOM 0 HA THR A 56 -1.028 12.618 -6.844 1.00 0.00 H new ATOM 0 HB THR A 56 1.419 12.312 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.699 11.650 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.482 9.858 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.103 10.570 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.156 9.754 -7.497 1.00 0.00 H new ATOM 759 N LYS A 57 -0.598 13.893 -9.774 1.00 0.00 N ATOM 760 CA LYS A 57 -0.381 15.126 -10.521 1.00 0.00 C ATOM 761 C LYS A 57 -1.101 16.297 -9.860 1.00 0.00 C ATOM 762 O LYS A 57 -0.571 17.405 -9.790 1.00 0.00 O ATOM 763 CB LYS A 57 -0.866 14.964 -11.964 1.00 0.00 C ATOM 764 CG LYS A 57 -2.289 14.447 -12.072 1.00 0.00 C ATOM 765 CD LYS A 57 -2.614 14.001 -13.488 1.00 0.00 C ATOM 766 CE LYS A 57 -3.660 12.897 -13.499 1.00 0.00 C ATOM 767 NZ LYS A 57 -4.456 12.899 -14.758 1.00 0.00 N ATOM 0 H LYS A 57 -0.991 13.130 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 57 0.689 15.336 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.798 15.926 -12.471 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.199 14.280 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.427 13.611 -11.386 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.985 15.228 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.976 14.852 -14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.706 13.648 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.169 11.931 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.328 13.021 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.158 12.132 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.945 13.812 -14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.822 12.755 -15.570 1.00 0.00 H new ATOM 781 N GLY A 58 -2.313 16.043 -9.375 1.00 0.00 N ATOM 782 CA GLY A 58 -3.085 17.086 -8.725 1.00 0.00 C ATOM 783 C GLY A 58 -2.423 17.594 -7.459 1.00 0.00 C ATOM 784 O GLY A 58 -2.783 18.652 -6.944 1.00 0.00 O ATOM 0 H GLY A 58 -2.774 15.134 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.223 17.916 -9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.077 16.703 -8.484 1.00 0.00 H new ATOM 788 N ALA A 59 -1.454 16.837 -6.955 1.00 0.00 N ATOM 789 CA ALA A 59 -0.741 17.216 -5.742 1.00 0.00 C ATOM 790 C ALA A 59 0.494 18.049 -6.069 1.00 0.00 C ATOM 791 O ALA A 59 0.593 19.210 -5.676 1.00 0.00 O ATOM 792 CB ALA A 59 -0.349 15.977 -4.951 1.00 0.00 C ATOM 0 H ALA A 59 -1.145 15.957 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.409 17.826 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.183 16.275 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.246 15.421 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.297 15.346 -5.561 1.00 0.00 H new ATOM 798 N GLY A 60 1.434 17.447 -6.791 1.00 0.00 N ATOM 799 CA GLY A 60 2.651 18.148 -7.158 1.00 0.00 C ATOM 800 C GLY A 60 3.882 17.270 -7.050 1.00 0.00 C ATOM 801 O GLY A 60 4.225 16.551 -7.989 1.00 0.00 O ATOM 0 H GLY A 60 1.375 16.486 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.560 18.516 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.773 19.019 -6.515 1.00 0.00 H new ATOM 805 N THR A 61 4.550 17.328 -5.902 1.00 0.00 N ATOM 806 CA THR A 61 5.751 16.534 -5.676 1.00 0.00 C ATOM 807 C THR A 61 5.848 16.086 -4.223 1.00 0.00 C ATOM 808 O THR A 61 5.613 16.870 -3.304 1.00 0.00 O ATOM 809 CB THR A 61 7.022 17.321 -6.046 1.00 0.00 C ATOM 810 OG1 THR A 61 6.930 17.797 -7.393 1.00 0.00 O ATOM 811 CG2 THR A 61 8.261 16.451 -5.894 1.00 0.00 C ATOM 0 H THR A 61 4.279 17.917 -5.114 1.00 0.00 H new ATOM 0 HA THR A 61 5.676 15.657 -6.319 1.00 0.00 H new ATOM 0 HB THR A 61 7.107 18.169 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.742 18.298 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.146 17.029 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.345 16.115 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.181 15.585 -6.552 1.00 0.00 H new ATOM 819 N GLY A 62 6.197 14.819 -4.020 1.00 0.00 N ATOM 820 CA GLY A 62 6.320 14.289 -2.675 1.00 0.00 C ATOM 821 C GLY A 62 6.447 12.778 -2.656 1.00 0.00 C ATOM 822 O GLY A 62 6.679 12.155 -3.691 1.00 0.00 O ATOM 0 H GLY A 62 6.397 14.150 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.192 14.730 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.449 14.585 -2.090 1.00 0.00 H new ATOM 826 N GLY A 63 6.295 12.188 -1.474 1.00 0.00 N ATOM 827 CA GLY A 63 6.399 10.746 -1.347 1.00 0.00 C ATOM 828 C GLY A 63 5.152 10.125 -0.751 1.00 0.00 C ATOM 829 O GLY A 63 4.695 10.533 0.317 1.00 0.00 O ATOM 0 H GLY A 63 6.102 12.682 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.584 10.310 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.258 10.500 -0.722 1.00 0.00 H new ATOM 833 N LEU A 64 4.597 9.136 -1.444 1.00 0.00 N ATOM 834 CA LEU A 64 3.392 8.458 -0.978 1.00 0.00 C ATOM 835 C LEU A 64 3.730 7.094 -0.385 1.00 0.00 C ATOM 836 O LEU A 64 4.535 6.347 -0.939 1.00 0.00 O ATOM 837 CB LEU A 64 2.397 8.295 -2.128 1.00 0.00 C ATOM 838 CG LEU A 64 1.092 7.574 -1.790 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.150 8.500 -1.038 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.429 7.049 -3.056 1.00 0.00 C ATOM 0 H LEU A 64 4.962 8.786 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 64 2.939 9.070 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.152 9.285 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.890 7.752 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 64 1.324 6.725 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.773 7.969 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.623 8.827 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.076 9.369 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.498 6.539 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.210 7.882 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.100 6.350 -3.555 1.00 0.00 H new ATOM 852 N GLY A 65 3.106 6.774 0.745 1.00 0.00 N ATOM 853 CA GLY A 65 3.352 5.499 1.393 1.00 0.00 C ATOM 854 C GLY A 65 2.154 4.573 1.325 1.00 0.00 C ATOM 855 O GLY A 65 1.024 4.989 1.585 1.00 0.00 O ATOM 0 H GLY A 65 2.435 7.375 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.208 5.015 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.616 5.670 2.437 1.00 0.00 H new ATOM 859 N LEU A 66 2.399 3.316 0.974 1.00 0.00 N ATOM 860 CA LEU A 66 1.330 2.328 0.871 1.00 0.00 C ATOM 861 C LEU A 66 1.682 1.063 1.646 1.00 0.00 C ATOM 862 O LEU A 66 2.704 0.427 1.388 1.00 0.00 O ATOM 863 CB LEU A 66 1.066 1.984 -0.596 1.00 0.00 C ATOM 864 CG LEU A 66 0.563 0.567 -0.874 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.917 0.452 -0.544 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.820 0.185 -2.324 1.00 0.00 C ATOM 0 H LEU A 66 3.328 2.956 0.756 1.00 0.00 H new ATOM 0 HA LEU A 66 0.428 2.759 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.335 2.691 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.989 2.137 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 66 1.111 -0.125 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.257 -0.563 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.074 0.682 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.482 1.154 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.456 -0.826 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.299 0.881 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.890 0.227 -2.527 1.00 0.00 H new ATOM 878 N THR A 67 0.826 0.700 2.597 1.00 0.00 N ATOM 879 CA THR A 67 1.045 -0.490 3.409 1.00 0.00 C ATOM 880 C THR A 67 -0.218 -1.339 3.492 1.00 0.00 C ATOM 881 O THR A 67 -1.283 -0.851 3.870 1.00 0.00 O ATOM 882 CB THR A 67 1.496 -0.121 4.835 1.00 0.00 C ATOM 883 OG1 THR A 67 0.801 1.048 5.282 1.00 0.00 O ATOM 884 CG2 THR A 67 2.997 0.126 4.881 1.00 0.00 C ATOM 0 H THR A 67 -0.026 1.214 2.823 1.00 0.00 H new ATOM 0 HA THR A 67 1.834 -1.064 2.923 1.00 0.00 H new ATOM 0 HB THR A 67 1.261 -0.957 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.092 1.275 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.292 0.385 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.524 -0.776 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.252 0.946 4.209 1.00 0.00 H new ATOM 892 N VAL A 68 -0.093 -2.614 3.137 1.00 0.00 N ATOM 893 CA VAL A 68 -1.224 -3.533 3.173 1.00 0.00 C ATOM 894 C VAL A 68 -1.441 -4.082 4.578 1.00 0.00 C ATOM 895 O VAL A 68 -0.665 -4.907 5.059 1.00 0.00 O ATOM 896 CB VAL A 68 -1.024 -4.709 2.199 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.138 -5.731 2.359 1.00 0.00 C ATOM 898 CG2 VAL A 68 -0.952 -4.206 0.765 1.00 0.00 C ATOM 0 H VAL A 68 0.781 -3.034 2.821 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.103 -2.965 2.868 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.079 -5.198 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.979 -6.554 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.137 -6.114 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.098 -5.259 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.810 -5.050 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.879 -3.691 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.115 -3.516 0.663 1.00 0.00 H new ATOM 908 N GLU A 69 -2.503 -3.619 5.232 1.00 0.00 N ATOM 909 CA GLU A 69 -2.822 -4.065 6.583 1.00 0.00 C ATOM 910 C GLU A 69 -3.729 -5.292 6.551 1.00 0.00 C ATOM 911 O GLU A 69 -4.667 -5.404 7.339 1.00 0.00 O ATOM 912 CB GLU A 69 -3.495 -2.939 7.370 1.00 0.00 C ATOM 913 CG GLU A 69 -2.519 -2.063 8.136 1.00 0.00 C ATOM 914 CD GLU A 69 -2.064 -2.697 9.437 1.00 0.00 C ATOM 915 OE1 GLU A 69 -2.843 -2.676 10.412 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.928 -3.214 9.478 1.00 0.00 O ATOM 0 H GLU A 69 -3.156 -2.936 4.848 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.890 -4.337 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.065 -2.316 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.208 -3.373 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.649 -1.861 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.988 -1.102 8.349 1.00 0.00 H new ATOM 923 N GLY A 70 -3.441 -6.210 5.633 1.00 0.00 N ATOM 924 CA GLY A 70 -4.240 -7.416 5.515 1.00 0.00 C ATOM 925 C GLY A 70 -3.890 -8.449 6.567 1.00 0.00 C ATOM 926 O GLY A 70 -2.903 -8.318 7.292 1.00 0.00 O ATOM 0 H GLY A 70 -2.669 -6.140 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.296 -7.158 5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.096 -7.848 4.524 1.00 0.00 H new ATOM 930 N PRO A 71 -4.712 -9.505 6.663 1.00 0.00 N ATOM 931 CA PRO A 71 -4.505 -10.584 7.633 1.00 0.00 C ATOM 932 C PRO A 71 -3.287 -11.439 7.297 1.00 0.00 C ATOM 933 O PRO A 71 -2.768 -12.158 8.152 1.00 0.00 O ATOM 934 CB PRO A 71 -5.787 -11.412 7.520 1.00 0.00 C ATOM 935 CG PRO A 71 -6.292 -11.145 6.144 1.00 0.00 C ATOM 936 CD PRO A 71 -5.907 -9.725 5.831 1.00 0.00 C ATOM 0 HA PRO A 71 -4.316 -10.201 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.587 -12.473 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.517 -11.116 8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.852 -11.836 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.373 -11.277 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.689 -9.592 4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.706 -9.027 6.082 1.00 0.00 H new ATOM 944 N CYS A 72 -2.837 -11.355 6.051 1.00 0.00 N ATOM 945 CA CYS A 72 -1.680 -12.122 5.603 1.00 0.00 C ATOM 946 C CYS A 72 -0.622 -11.206 4.997 1.00 0.00 C ATOM 947 O CYS A 72 -0.814 -9.994 4.908 1.00 0.00 O ATOM 948 CB CYS A 72 -2.105 -13.176 4.580 1.00 0.00 C ATOM 949 SG CYS A 72 -3.568 -12.723 3.618 1.00 0.00 S ATOM 0 H CYS A 72 -3.255 -10.764 5.333 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.249 -12.622 6.471 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.276 -13.358 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.301 -14.113 5.100 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.549 -13.349 2.479 1.00 0.00 H new ATOM 955 N GLU A 73 0.497 -11.794 4.584 1.00 0.00 N ATOM 956 CA GLU A 73 1.586 -11.029 3.989 1.00 0.00 C ATOM 957 C GLU A 73 1.512 -11.071 2.465 1.00 0.00 C ATOM 958 O GLU A 73 1.980 -12.019 1.836 1.00 0.00 O ATOM 959 CB GLU A 73 2.937 -11.572 4.460 1.00 0.00 C ATOM 960 CG GLU A 73 4.125 -10.960 3.737 1.00 0.00 C ATOM 961 CD GLU A 73 5.453 -11.460 4.270 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.533 -11.754 5.481 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.413 -11.556 3.477 1.00 0.00 O ATOM 0 H GLU A 73 0.673 -12.797 4.651 1.00 0.00 H new ATOM 0 HA GLU A 73 1.486 -9.993 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.040 -11.389 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.954 -12.653 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.055 -11.189 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.084 -9.875 3.833 1.00 0.00 H new ATOM 970 N ALA A 74 0.920 -10.035 1.879 1.00 0.00 N ATOM 971 CA ALA A 74 0.785 -9.953 0.430 1.00 0.00 C ATOM 972 C ALA A 74 1.890 -9.094 -0.176 1.00 0.00 C ATOM 973 O ALA A 74 2.264 -8.061 0.381 1.00 0.00 O ATOM 974 CB ALA A 74 -0.582 -9.397 0.058 1.00 0.00 C ATOM 0 H ALA A 74 0.527 -9.242 2.385 1.00 0.00 H new ATOM 0 HA ALA A 74 0.879 -10.960 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.669 -9.341 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.360 -10.051 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.697 -8.400 0.483 1.00 0.00 H new ATOM 980 N LYS A 75 2.409 -9.527 -1.320 1.00 0.00 N ATOM 981 CA LYS A 75 3.471 -8.798 -2.003 1.00 0.00 C ATOM 982 C LYS A 75 2.929 -7.531 -2.657 1.00 0.00 C ATOM 983 O LYS A 75 1.782 -7.496 -3.105 1.00 0.00 O ATOM 984 CB LYS A 75 4.131 -9.688 -3.059 1.00 0.00 C ATOM 985 CG LYS A 75 5.565 -9.297 -3.374 1.00 0.00 C ATOM 986 CD LYS A 75 6.288 -10.395 -4.135 1.00 0.00 C ATOM 987 CE LYS A 75 7.660 -9.936 -4.606 1.00 0.00 C ATOM 988 NZ LYS A 75 8.284 -10.919 -5.535 1.00 0.00 N ATOM 0 H LYS A 75 2.111 -10.380 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 75 4.216 -8.512 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.113 -10.722 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.542 -9.647 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.572 -8.380 -3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.097 -9.085 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.396 -11.272 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.690 -10.698 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.569 -8.971 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.310 -9.788 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.217 -10.570 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.394 -11.833 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.677 -11.041 -6.370 1.00 0.00 H new ATOM 1002 N ILE A 76 3.759 -6.496 -2.710 1.00 0.00 N ATOM 1003 CA ILE A 76 3.363 -5.229 -3.313 1.00 0.00 C ATOM 1004 C ILE A 76 4.450 -4.697 -4.240 1.00 0.00 C ATOM 1005 O ILE A 76 5.585 -4.476 -3.818 1.00 0.00 O ATOM 1006 CB ILE A 76 3.054 -4.168 -2.240 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.125 -4.748 -1.171 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.431 -2.935 -2.878 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.153 -3.981 0.133 1.00 0.00 C ATOM 0 H ILE A 76 4.710 -6.509 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 76 2.460 -5.423 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 76 3.988 -3.873 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.105 -4.760 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.406 -5.784 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.218 -2.194 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.124 -2.513 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.504 -3.214 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.471 -4.448 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.164 -3.991 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.843 -2.951 -0.044 1.00 0.00 H new ATOM 1021 N GLU A 77 4.094 -4.492 -5.504 1.00 0.00 N ATOM 1022 CA GLU A 77 5.040 -3.984 -6.491 1.00 0.00 C ATOM 1023 C GLU A 77 4.603 -2.617 -7.010 1.00 0.00 C ATOM 1024 O GLU A 77 3.681 -2.515 -7.820 1.00 0.00 O ATOM 1025 CB GLU A 77 5.172 -4.966 -7.656 1.00 0.00 C ATOM 1026 CG GLU A 77 6.070 -6.154 -7.352 1.00 0.00 C ATOM 1027 CD GLU A 77 5.980 -7.239 -8.408 1.00 0.00 C ATOM 1028 OE1 GLU A 77 6.606 -7.081 -9.477 1.00 0.00 O ATOM 1029 OE2 GLU A 77 5.283 -8.246 -8.164 1.00 0.00 O ATOM 0 H GLU A 77 3.158 -4.670 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 77 6.010 -3.876 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.181 -5.330 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.565 -4.437 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.102 -5.813 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.798 -6.572 -6.383 1.00 0.00 H new ATOM 1036 N CYS A 78 5.271 -1.571 -6.538 1.00 0.00 N ATOM 1037 CA CYS A 78 4.951 -0.209 -6.953 1.00 0.00 C ATOM 1038 C CYS A 78 5.881 0.251 -8.071 1.00 0.00 C ATOM 1039 O CYS A 78 7.104 0.221 -7.927 1.00 0.00 O ATOM 1040 CB CYS A 78 5.053 0.746 -5.763 1.00 0.00 C ATOM 1041 SG CYS A 78 6.693 0.809 -5.005 1.00 0.00 S ATOM 0 H CYS A 78 6.037 -1.639 -5.868 1.00 0.00 H new ATOM 0 HA CYS A 78 3.928 -0.201 -7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.777 1.748 -6.091 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.327 0.447 -5.007 1.00 0.00 H new ATOM 0 HG CYS A 78 7.597 0.564 -5.906 1.00 0.00 H new ATOM 1047 N SER A 79 5.294 0.674 -9.186 1.00 0.00 N ATOM 1048 CA SER A 79 6.070 1.135 -10.331 1.00 0.00 C ATOM 1049 C SER A 79 5.463 2.403 -10.924 1.00 0.00 C ATOM 1050 O SER A 79 4.320 2.402 -11.380 1.00 0.00 O ATOM 1051 CB SER A 79 6.141 0.042 -11.399 1.00 0.00 C ATOM 1052 OG SER A 79 7.271 0.219 -12.236 1.00 0.00 O ATOM 0 H SER A 79 4.283 0.707 -9.321 1.00 0.00 H new ATOM 0 HA SER A 79 7.079 1.363 -9.987 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.189 -0.936 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.233 0.058 -12.001 1.00 0.00 H new ATOM 0 HG SER A 79 7.294 -0.493 -12.909 1.00 0.00 H new ATOM 1058 N ASP A 80 6.238 3.482 -10.914 1.00 0.00 N ATOM 1059 CA ASP A 80 5.778 4.758 -11.451 1.00 0.00 C ATOM 1060 C ASP A 80 5.610 4.680 -12.966 1.00 0.00 C ATOM 1061 O ASP A 80 6.276 3.892 -13.635 1.00 0.00 O ATOM 1062 CB ASP A 80 6.762 5.871 -11.091 1.00 0.00 C ATOM 1063 CG ASP A 80 7.289 5.744 -9.675 1.00 0.00 C ATOM 1064 OD1 ASP A 80 6.475 5.500 -8.760 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.514 5.887 -9.483 1.00 0.00 O ATOM 0 H ASP A 80 7.187 3.499 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 80 4.809 4.984 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.598 5.852 -11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.271 6.837 -11.207 1.00 0.00 H new ATOM 1070 N ASN A 81 4.713 5.504 -13.499 1.00 0.00 N ATOM 1071 CA ASN A 81 4.456 5.528 -14.934 1.00 0.00 C ATOM 1072 C ASN A 81 5.338 6.561 -15.628 1.00 0.00 C ATOM 1073 O ASN A 81 6.019 6.256 -16.606 1.00 0.00 O ATOM 1074 CB ASN A 81 2.981 5.835 -15.204 1.00 0.00 C ATOM 1075 CG ASN A 81 2.065 4.718 -14.746 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.668 4.760 -13.479 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 1.717 3.827 -15.522 1.00 0.00 N flip ATOM 0 H ASN A 81 4.153 6.163 -12.959 1.00 0.00 H new ATOM 0 HA ASN A 81 4.695 4.544 -15.337 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.706 6.759 -14.695 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.837 6.004 -16.271 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.046 3.834 -16.487 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.100 3.082 -15.199 1.00 0.00 H new ATOM 1084 N GLY A 82 5.320 7.787 -15.114 1.00 0.00 N ATOM 1085 CA GLY A 82 6.122 8.848 -15.696 1.00 0.00 C ATOM 1086 C GLY A 82 5.285 10.032 -16.136 1.00 0.00 C ATOM 1087 O GLY A 82 5.821 11.087 -16.477 1.00 0.00 O ATOM 0 H GLY A 82 4.764 8.065 -14.305 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.862 9.181 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.671 8.456 -16.553 1.00 0.00 H new ATOM 1091 N ASP A 83 3.968 9.859 -16.131 1.00 0.00 N ATOM 1092 CA ASP A 83 3.055 10.922 -16.534 1.00 0.00 C ATOM 1093 C ASP A 83 2.489 11.643 -15.315 1.00 0.00 C ATOM 1094 O ASP A 83 1.930 12.733 -15.429 1.00 0.00 O ATOM 1095 CB ASP A 83 1.916 10.352 -17.380 1.00 0.00 C ATOM 1096 CG ASP A 83 0.863 11.392 -17.710 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.115 11.791 -16.793 1.00 0.00 O ATOM 1098 OD2 ASP A 83 0.788 11.808 -18.885 1.00 0.00 O ATOM 0 H ASP A 83 3.509 8.992 -15.852 1.00 0.00 H new ATOM 0 HA ASP A 83 3.615 11.641 -17.131 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.323 9.945 -18.306 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.450 9.524 -16.846 1.00 0.00 H new ATOM 1103 N GLY A 84 2.637 11.026 -14.147 1.00 0.00 N ATOM 1104 CA GLY A 84 2.134 11.622 -12.923 1.00 0.00 C ATOM 1105 C GLY A 84 1.225 10.686 -12.152 1.00 0.00 C ATOM 1106 O GLY A 84 0.432 11.124 -11.318 1.00 0.00 O ATOM 0 H GLY A 84 3.097 10.123 -14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.974 11.910 -12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.590 12.535 -13.164 1.00 0.00 H new ATOM 1110 N THR A 85 1.338 9.391 -12.431 1.00 0.00 N ATOM 1111 CA THR A 85 0.518 8.390 -11.760 1.00 0.00 C ATOM 1112 C THR A 85 1.356 7.190 -11.333 1.00 0.00 C ATOM 1113 O THR A 85 2.568 7.158 -11.550 1.00 0.00 O ATOM 1114 CB THR A 85 -0.629 7.904 -12.666 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.126 7.602 -13.973 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.721 8.957 -12.769 1.00 0.00 C ATOM 0 H THR A 85 1.990 9.011 -13.117 1.00 0.00 H new ATOM 0 HA THR A 85 0.095 8.868 -10.876 1.00 0.00 H new ATOM 0 HB THR A 85 -1.055 7.004 -12.223 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.861 7.292 -14.543 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.520 8.591 -13.414 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.122 9.164 -11.777 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.305 9.872 -13.190 1.00 0.00 H new ATOM 1124 N CYS A 86 0.704 6.206 -10.724 1.00 0.00 N ATOM 1125 CA CYS A 86 1.389 5.003 -10.266 1.00 0.00 C ATOM 1126 C CYS A 86 0.557 3.758 -10.557 1.00 0.00 C ATOM 1127 O CYS A 86 -0.672 3.793 -10.497 1.00 0.00 O ATOM 1128 CB CYS A 86 1.681 5.097 -8.768 1.00 0.00 C ATOM 1129 SG CYS A 86 3.143 4.172 -8.241 1.00 0.00 S ATOM 0 H CYS A 86 -0.298 6.218 -10.536 1.00 0.00 H new ATOM 0 HA CYS A 86 2.331 4.923 -10.809 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.811 6.145 -8.499 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.815 4.732 -8.216 1.00 0.00 H new ATOM 0 HG CYS A 86 4.213 4.858 -8.516 1.00 0.00 H new ATOM 1135 N SER A 87 1.235 2.660 -10.874 1.00 0.00 N ATOM 1136 CA SER A 87 0.559 1.405 -11.180 1.00 0.00 C ATOM 1137 C SER A 87 0.974 0.311 -10.201 1.00 0.00 C ATOM 1138 O SER A 87 1.633 -0.658 -10.578 1.00 0.00 O ATOM 1139 CB SER A 87 0.872 0.969 -12.613 1.00 0.00 C ATOM 1140 OG SER A 87 -0.034 1.552 -13.533 1.00 0.00 O ATOM 0 H SER A 87 2.253 2.614 -10.926 1.00 0.00 H new ATOM 0 HA SER A 87 -0.515 1.566 -11.083 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.891 1.257 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.820 -0.117 -12.685 1.00 0.00 H new ATOM 0 HG SER A 87 0.188 1.259 -14.441 1.00 0.00 H new ATOM 1146 N VAL A 88 0.582 0.474 -8.941 1.00 0.00 N ATOM 1147 CA VAL A 88 0.912 -0.499 -7.907 1.00 0.00 C ATOM 1148 C VAL A 88 0.015 -1.728 -8.003 1.00 0.00 C ATOM 1149 O VAL A 88 -1.210 -1.614 -8.039 1.00 0.00 O ATOM 1150 CB VAL A 88 0.779 0.111 -6.499 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.394 -0.810 -5.457 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.423 1.488 -6.453 1.00 0.00 C ATOM 0 H VAL A 88 0.036 1.270 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 88 1.948 -0.795 -8.070 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.281 0.223 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.290 -0.362 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.882 -1.772 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.451 -0.957 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.320 1.905 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.480 1.404 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.931 2.144 -7.171 1.00 0.00 H new ATOM 1162 N SER A 89 0.633 -2.904 -8.043 1.00 0.00 N ATOM 1163 CA SER A 89 -0.109 -4.156 -8.138 1.00 0.00 C ATOM 1164 C SER A 89 0.266 -5.097 -6.997 1.00 0.00 C ATOM 1165 O SER A 89 1.444 -5.368 -6.763 1.00 0.00 O ATOM 1166 CB SER A 89 0.161 -4.832 -9.483 1.00 0.00 C ATOM 1167 OG SER A 89 1.552 -4.956 -9.721 1.00 0.00 O ATOM 0 H SER A 89 1.646 -3.016 -8.011 1.00 0.00 H new ATOM 0 HA SER A 89 -1.172 -3.927 -8.062 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.303 -5.818 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.298 -4.252 -10.284 1.00 0.00 H new ATOM 0 HG SER A 89 2.009 -5.176 -8.882 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.745 -5.593 -6.292 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.523 -6.503 -5.174 1.00 0.00 C ATOM 1175 C TYR A 90 -1.163 -7.861 -5.442 1.00 0.00 C ATOM 1176 O TYR A 90 -2.195 -7.954 -6.108 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.087 -5.906 -3.884 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.597 -5.832 -3.860 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.357 -6.902 -3.403 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.263 -4.693 -4.294 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.737 -6.839 -3.381 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.643 -4.621 -4.274 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.375 -5.696 -3.817 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.749 -5.629 -3.794 1.00 0.00 O ATOM 0 H TYR A 90 -1.726 -5.380 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 90 0.552 -6.644 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.748 -6.504 -3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.680 -4.904 -3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.861 -7.798 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.693 -3.849 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.313 -7.680 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.145 -3.728 -4.615 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.035 -4.708 -3.969 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.545 -8.913 -4.917 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.053 -10.269 -5.098 1.00 0.00 C ATOM 1196 C LEU A 91 -1.463 -10.879 -3.761 1.00 0.00 C ATOM 1197 O LEU A 91 -0.629 -11.174 -2.904 1.00 0.00 O ATOM 1198 CB LEU A 91 0.004 -11.146 -5.770 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.047 -11.209 -7.297 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.343 -11.436 -7.869 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.999 -12.306 -7.753 1.00 0.00 C ATOM 0 H LEU A 91 0.309 -8.854 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.933 -10.219 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.989 -10.784 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.093 -12.160 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.418 -10.254 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.286 -11.478 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.997 -10.617 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.743 -12.376 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.023 -12.337 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.656 -13.267 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.000 -12.100 -7.373 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.777 -11.076 -3.578 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.326 -11.656 -2.349 1.00 0.00 C ATOM 1215 C PRO A 92 -2.985 -13.135 -2.203 1.00 0.00 C ATOM 1216 O PRO A 92 -2.399 -13.740 -3.101 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.837 -11.469 -2.514 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.053 -11.406 -3.986 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.827 -10.748 -4.557 1.00 0.00 C ATOM 0 HA PRO A 92 -2.918 -11.181 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.389 -12.296 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.179 -10.557 -2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.191 -12.404 -4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.950 -10.834 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.588 -11.135 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.959 -9.671 -4.659 1.00 0.00 H new ATOM 1227 N THR A 93 -3.355 -13.713 -1.064 1.00 0.00 N ATOM 1228 CA THR A 93 -3.088 -15.121 -0.800 1.00 0.00 C ATOM 1229 C THR A 93 -4.360 -15.856 -0.393 1.00 0.00 C ATOM 1230 O THR A 93 -4.581 -17.001 -0.786 1.00 0.00 O ATOM 1231 CB THR A 93 -2.031 -15.294 0.307 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.426 -14.571 1.478 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.670 -14.804 -0.162 1.00 0.00 C ATOM 0 H THR A 93 -3.840 -13.227 -0.310 1.00 0.00 H new ATOM 0 HA THR A 93 -2.706 -15.549 -1.727 1.00 0.00 H new ATOM 0 HB THR A 93 -1.955 -16.355 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.750 -14.687 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.060 -14.937 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.359 -15.376 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.734 -13.748 -0.423 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.194 -15.189 0.398 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.447 -15.778 0.858 1.00 0.00 C ATOM 1243 C LYS A 94 -7.579 -14.758 0.803 1.00 0.00 C ATOM 1244 O LYS A 94 -7.363 -13.549 0.890 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.291 -16.306 2.286 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.849 -15.248 3.282 1.00 0.00 C ATOM 1247 CD LYS A 94 -5.824 -15.792 4.700 1.00 0.00 C ATOM 1248 CE LYS A 94 -7.201 -15.736 5.344 1.00 0.00 C ATOM 1249 NZ LYS A 94 -7.435 -14.442 6.042 1.00 0.00 N ATOM 0 H LYS A 94 -5.025 -14.241 0.734 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.696 -16.607 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.241 -16.727 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.565 -17.119 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.857 -14.886 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.525 -14.394 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.468 -16.822 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.118 -15.217 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.965 -15.880 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.303 -16.556 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.384 -14.444 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.721 -14.316 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.363 -13.661 5.359 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.817 -15.254 0.656 1.00 0.00 N ATOM 1264 CA PRO A 95 -10.008 -14.402 0.588 1.00 0.00 C ATOM 1265 C PRO A 95 -10.326 -13.742 1.925 1.00 0.00 C ATOM 1266 O PRO A 95 -10.464 -14.416 2.945 1.00 0.00 O ATOM 1267 CB PRO A 95 -11.120 -15.379 0.197 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.646 -16.706 0.679 1.00 0.00 C ATOM 1269 CD PRO A 95 -9.149 -16.684 0.546 1.00 0.00 C ATOM 0 HA PRO A 95 -9.880 -13.577 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.068 -15.105 0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.281 -15.384 -0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.943 -16.874 1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.079 -17.513 0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.668 -17.270 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.824 -17.100 -0.408 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.441 -12.417 1.913 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.742 -11.688 3.131 1.00 0.00 C ATOM 1279 C GLY A 96 -10.887 -10.198 2.894 1.00 0.00 C ATOM 1280 O GLY A 96 -11.797 -9.760 2.191 1.00 0.00 O ATOM 0 H GLY A 96 -10.331 -11.836 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.664 -12.075 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.950 -11.862 3.860 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.987 -9.416 3.483 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.021 -7.966 3.334 1.00 0.00 C ATOM 1286 C GLU A 97 -8.619 -7.374 3.447 1.00 0.00 C ATOM 1287 O GLU A 97 -7.840 -7.757 4.320 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.936 -7.343 4.390 1.00 0.00 C ATOM 1289 CG GLU A 97 -10.407 -7.478 5.808 1.00 0.00 C ATOM 1290 CD GLU A 97 -10.058 -8.910 6.167 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -10.892 -9.805 5.918 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -8.950 -9.134 6.697 1.00 0.00 O ATOM 0 H GLU A 97 -9.226 -9.762 4.067 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.414 -7.738 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.074 -6.286 4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.918 -7.813 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.522 -6.853 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.154 -7.104 6.508 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.304 -6.440 2.556 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.995 -5.797 2.553 1.00 0.00 C ATOM 1301 C TYR A 98 -7.133 -4.281 2.644 1.00 0.00 C ATOM 1302 O TYR A 98 -7.686 -3.641 1.749 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.221 -6.176 1.290 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.942 -7.657 1.171 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.917 -8.532 0.705 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.706 -8.182 1.525 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.667 -9.886 0.595 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.447 -9.535 1.417 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.431 -10.383 0.952 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.178 -11.731 0.845 1.00 0.00 O ATOM 0 H TYR A 98 -8.937 -6.111 1.827 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.444 -6.146 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.786 -5.850 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.275 -5.635 1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.886 -8.146 0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.934 -7.521 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.435 -10.552 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.480 -9.927 1.695 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.707 -12.040 1.647 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.625 -3.711 3.732 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.691 -2.269 3.942 1.00 0.00 C ATOM 1322 C PHE A 99 -5.469 -1.577 3.346 1.00 0.00 C ATOM 1323 O PHE A 99 -4.335 -1.836 3.750 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.792 -1.954 5.435 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.109 -2.344 6.043 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.427 -3.678 6.243 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.029 -1.377 6.414 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.638 -4.039 6.801 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.243 -1.732 6.973 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.547 -3.065 7.168 1.00 0.00 C ATOM 0 H PHE A 99 -6.163 -4.226 4.482 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.582 -1.894 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.990 -2.471 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.634 -0.886 5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.720 -4.444 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.795 -0.333 6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.874 -5.082 6.950 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.952 -0.968 7.257 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.493 -3.346 7.606 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.708 -0.695 2.380 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.628 0.036 1.728 1.00 0.00 C ATOM 1342 C VAL A 100 -4.397 1.387 2.396 1.00 0.00 C ATOM 1343 O VAL A 100 -5.162 2.329 2.196 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.925 0.259 0.233 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.738 0.917 -0.455 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.281 -1.057 -0.442 1.00 0.00 C ATOM 0 H VAL A 100 -6.640 -0.470 2.032 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.729 -0.573 1.826 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.781 0.928 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.966 1.067 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.535 1.880 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.862 0.276 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.488 -0.880 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.447 -1.752 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.164 -1.483 0.034 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.335 1.473 3.191 1.00 0.00 N ATOM 1357 CA ASN A 101 -3.002 2.709 3.890 1.00 0.00 C ATOM 1358 C ASN A 101 -2.303 3.691 2.954 1.00 0.00 C ATOM 1359 O ASN A 101 -1.117 3.545 2.659 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.109 2.413 5.096 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.806 1.556 6.135 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.310 2.064 7.137 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -2.838 0.250 5.900 1.00 0.00 N ATOM 0 H ASN A 101 -2.691 0.702 3.367 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.930 3.163 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.204 1.907 4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.798 3.352 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.294 -0.377 6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.407 -0.127 5.056 1.00 0.00 H new ATOM 1370 N ILE A 102 -3.046 4.691 2.493 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.498 5.698 1.593 1.00 0.00 C ATOM 1372 C ILE A 102 -2.203 6.997 2.336 1.00 0.00 C ATOM 1373 O ILE A 102 -3.118 7.698 2.769 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.458 5.993 0.426 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.706 4.725 -0.393 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.896 7.099 -0.456 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.641 4.934 -1.563 1.00 0.00 C ATOM 0 H ILE A 102 -4.029 4.826 2.728 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.569 5.292 1.193 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.410 6.330 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.752 4.349 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.120 3.956 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.586 7.296 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.767 8.006 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.932 6.788 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.770 3.993 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.608 5.280 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.219 5.679 -2.237 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.921 7.313 2.477 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.504 8.530 3.166 1.00 0.00 C ATOM 1391 C LEU A 103 0.529 9.294 2.344 1.00 0.00 C ATOM 1392 O LEU A 103 1.539 8.733 1.919 1.00 0.00 O ATOM 1393 CB LEU A 103 0.072 8.189 4.541 1.00 0.00 C ATOM 1394 CG LEU A 103 0.734 6.816 4.670 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.214 6.903 4.331 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.537 6.260 6.073 1.00 0.00 C ATOM 0 H LEU A 103 -0.152 6.744 2.124 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.381 9.165 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.806 8.950 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.731 8.253 5.275 1.00 0.00 H new ATOM 0 HG LEU A 103 0.260 6.137 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.668 5.917 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.333 7.258 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.704 7.597 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.014 5.283 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.984 6.938 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.529 6.160 6.278 1.00 0.00 H new ATOM 1408 N PHE A 104 0.270 10.579 2.125 1.00 0.00 N ATOM 1409 CA PHE A 104 1.178 11.422 1.355 1.00 0.00 C ATOM 1410 C PHE A 104 2.051 12.266 2.279 1.00 0.00 C ATOM 1411 O PHE A 104 1.566 13.182 2.942 1.00 0.00 O ATOM 1412 CB PHE A 104 0.387 12.330 0.411 1.00 0.00 C ATOM 1413 CG PHE A 104 1.228 12.948 -0.669 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.018 12.157 -1.488 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.228 14.319 -0.866 1.00 0.00 C ATOM 1416 CE1 PHE A 104 2.792 12.722 -2.484 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.000 14.890 -1.861 1.00 0.00 C ATOM 1418 CZ PHE A 104 2.784 14.091 -2.670 1.00 0.00 C ATOM 0 H PHE A 104 -0.561 11.059 2.470 1.00 0.00 H new ATOM 0 HA PHE A 104 1.825 10.773 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.415 11.752 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -0.084 13.123 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.029 11.086 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.618 14.949 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.402 12.094 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.990 15.960 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.389 14.535 -3.446 1.00 0.00 H new ATOM 1428 N GLU A 105 3.342 11.949 2.316 1.00 0.00 N ATOM 1429 CA GLU A 105 4.282 12.677 3.159 1.00 0.00 C ATOM 1430 C GLU A 105 3.900 12.556 4.631 1.00 0.00 C ATOM 1431 O GLU A 105 3.914 13.541 5.369 1.00 0.00 O ATOM 1432 CB GLU A 105 4.330 14.152 2.753 1.00 0.00 C ATOM 1433 CG GLU A 105 4.766 14.372 1.314 1.00 0.00 C ATOM 1434 CD GLU A 105 5.144 15.814 1.033 1.00 0.00 C ATOM 1435 OE1 GLU A 105 4.782 16.690 1.846 1.00 0.00 O ATOM 1436 OE2 GLU A 105 5.801 16.066 0.002 1.00 0.00 O ATOM 0 H GLU A 105 3.760 11.194 1.772 1.00 0.00 H new ATOM 0 HA GLU A 105 5.270 12.237 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.343 14.592 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.014 14.681 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.617 13.728 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.959 14.075 0.644 1.00 0.00 H new ATOM 1443 N GLU A 106 3.558 11.342 5.050 1.00 0.00 N ATOM 1444 CA GLU A 106 3.170 11.093 6.433 1.00 0.00 C ATOM 1445 C GLU A 106 1.803 11.702 6.734 1.00 0.00 C ATOM 1446 O GLU A 106 1.509 12.065 7.873 1.00 0.00 O ATOM 1447 CB GLU A 106 4.217 11.665 7.391 1.00 0.00 C ATOM 1448 CG GLU A 106 5.648 11.433 6.937 1.00 0.00 C ATOM 1449 CD GLU A 106 6.665 11.796 8.002 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.729 11.086 9.027 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.396 12.790 7.810 1.00 0.00 O ATOM 0 H GLU A 106 3.542 10.516 4.452 1.00 0.00 H new ATOM 0 HA GLU A 106 3.107 10.014 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.049 12.736 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.080 11.217 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.773 10.385 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.841 12.022 6.040 1.00 0.00 H new ATOM 1458 N VAL A 107 0.972 11.813 5.702 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.364 12.378 5.854 1.00 0.00 C ATOM 1460 C VAL A 107 -1.419 11.468 5.237 1.00 0.00 C ATOM 1461 O VAL A 107 -1.468 11.293 4.019 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.461 13.772 5.206 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.732 14.480 5.649 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.768 14.603 5.544 1.00 0.00 C ATOM 0 H VAL A 107 1.200 11.519 4.752 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.549 12.470 6.924 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.502 13.648 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.783 15.463 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.599 13.891 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.726 14.594 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.683 15.585 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.842 14.720 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.661 14.101 5.171 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.264 10.890 6.085 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.320 9.997 5.622 1.00 0.00 C ATOM 1476 C HIS A 108 -4.305 10.740 4.725 1.00 0.00 C ATOM 1477 O HIS A 108 -4.858 11.769 5.113 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.059 9.386 6.813 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.489 8.076 7.264 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.134 6.872 7.078 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.327 7.786 7.893 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.394 5.897 7.576 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.291 6.425 8.075 1.00 0.00 N ATOM 0 H HIS A 108 -2.238 11.024 7.096 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.858 9.198 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.034 10.089 7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.106 9.245 6.546 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.569 8.493 8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.648 4.847 7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.535 5.906 8.523 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.518 10.213 3.524 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.436 10.827 2.572 1.00 0.00 C ATOM 1494 C ILE A 109 -6.887 10.570 2.965 1.00 0.00 C ATOM 1495 O ILE A 109 -7.216 9.572 3.606 1.00 0.00 O ATOM 1496 CB ILE A 109 -5.202 10.300 1.144 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.585 8.821 1.053 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.750 10.502 0.737 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.939 8.374 -0.348 1.00 0.00 C ATOM 0 H ILE A 109 -4.067 9.362 3.187 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.241 11.899 2.591 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.834 10.862 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.756 8.216 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.433 8.632 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.600 10.125 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.508 11.564 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.101 9.962 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.200 7.316 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.788 8.953 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.085 8.530 -1.007 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.778 11.492 2.571 1.00 0.00 N ATOM 1512 CA PRO A 110 -9.210 11.387 2.868 1.00 0.00 C ATOM 1513 C PRO A 110 -9.883 10.262 2.090 1.00 0.00 C ATOM 1514 O PRO A 110 -10.447 10.485 1.020 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.763 12.746 2.430 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.807 13.229 1.396 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.457 12.707 1.804 1.00 0.00 C ATOM 0 HA PRO A 110 -9.393 11.155 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.770 12.651 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.821 13.439 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.084 12.864 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.805 14.318 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.835 12.483 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.912 13.432 2.409 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.819 9.051 2.634 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.426 7.908 1.977 1.00 0.00 C ATOM 1527 C GLY A 111 -9.738 6.604 2.327 1.00 0.00 C ATOM 1528 O GLY A 111 -10.255 5.525 2.039 1.00 0.00 O ATOM 0 H GLY A 111 -9.357 8.841 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.477 7.847 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.393 8.054 0.897 1.00 0.00 H new ATOM 1532 N SER A 112 -8.567 6.703 2.949 1.00 0.00 N ATOM 1533 CA SER A 112 -7.804 5.522 3.333 1.00 0.00 C ATOM 1534 C SER A 112 -7.916 5.267 4.833 1.00 0.00 C ATOM 1535 O SER A 112 -8.171 6.174 5.626 1.00 0.00 O ATOM 1536 CB SER A 112 -6.334 5.688 2.942 1.00 0.00 C ATOM 1537 OG SER A 112 -5.481 5.073 3.891 1.00 0.00 O ATOM 0 H SER A 112 -8.127 7.589 3.197 1.00 0.00 H new ATOM 0 HA SER A 112 -8.219 4.664 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.164 5.250 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.093 6.748 2.865 1.00 0.00 H new ATOM 0 HG SER A 112 -4.810 5.719 4.194 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.721 4.002 5.234 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.418 2.913 4.300 1.00 0.00 C ATOM 1545 C PRO A 113 -8.610 2.555 3.420 1.00 0.00 C ATOM 1546 O PRO A 113 -9.760 2.807 3.782 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.062 1.744 5.221 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.772 2.038 6.498 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.783 3.536 6.630 1.00 0.00 C ATOM 0 HA PRO A 113 -6.623 3.182 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.386 0.793 4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.985 1.674 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.787 1.640 6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.262 1.575 7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.684 3.889 7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.934 3.894 7.211 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.330 1.965 2.263 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.380 1.572 1.331 1.00 0.00 C ATOM 1559 C PHE A 114 -9.653 0.073 1.419 1.00 0.00 C ATOM 1560 O PHE A 114 -8.967 -0.733 0.789 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.988 1.947 -0.100 1.00 0.00 C ATOM 1562 CG PHE A 114 -9.142 3.411 -0.399 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.217 4.329 0.071 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.212 3.869 -1.150 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.355 5.677 -0.202 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.356 5.216 -1.428 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.427 6.121 -0.952 1.00 0.00 C ATOM 0 H PHE A 114 -7.384 1.748 1.948 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.291 2.106 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.952 1.656 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.600 1.375 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.377 3.987 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.942 3.166 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.626 6.382 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.194 5.560 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.539 7.174 -1.166 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.659 -0.294 2.205 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.024 -1.695 2.377 1.00 0.00 C ATOM 1579 C LYS A 115 -11.366 -2.337 1.036 1.00 0.00 C ATOM 1580 O LYS A 115 -12.294 -1.908 0.351 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.214 -1.819 3.332 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.382 -3.212 3.915 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.258 -3.194 5.157 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.714 -2.926 4.809 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.530 -2.639 6.021 1.00 0.00 N ATOM 0 H LYS A 115 -11.237 0.360 2.733 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.168 -2.218 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.091 -1.105 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.125 -1.544 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.824 -3.870 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.404 -3.624 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.177 -4.150 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.900 -2.428 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.774 -2.081 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.128 -3.790 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.516 -2.462 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.494 -3.455 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.151 -1.800 6.504 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.611 -3.367 0.669 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.836 -4.069 -0.588 1.00 0.00 C ATOM 1601 C ALA A 116 -11.200 -5.530 -0.343 1.00 0.00 C ATOM 1602 O ALA A 116 -10.337 -6.351 -0.033 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.604 -3.972 -1.475 1.00 0.00 C ATOM 0 H ALA A 116 -9.838 -3.734 1.225 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.674 -3.593 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.787 -4.501 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.389 -2.924 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.752 -4.421 -0.965 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.483 -5.846 -0.484 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.961 -7.208 -0.279 1.00 0.00 C ATOM 1611 C ASP A 117 -12.540 -8.112 -1.433 1.00 0.00 C ATOM 1612 O ASP A 117 -13.000 -7.947 -2.563 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.484 -7.220 -0.134 1.00 0.00 C ATOM 1614 CG ASP A 117 -14.932 -6.995 1.296 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -15.040 -7.986 2.047 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.174 -5.826 1.665 1.00 0.00 O ATOM 0 H ASP A 117 -13.210 -5.178 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.513 -7.590 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.913 -6.447 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.872 -8.176 -0.487 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.663 -9.067 -1.141 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.180 -9.996 -2.154 1.00 0.00 C ATOM 1623 C ILE A 118 -12.083 -11.222 -2.251 1.00 0.00 C ATOM 1624 O ILE A 118 -12.406 -11.847 -1.242 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.741 -10.456 -1.857 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.781 -9.265 -1.909 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.313 -11.532 -2.844 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.549 -8.738 -3.308 1.00 0.00 C ATOM 0 H ILE A 118 -11.273 -9.217 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.193 -9.461 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.711 -10.880 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.177 -8.462 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.825 -9.560 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.294 -11.846 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.983 -12.388 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.356 -11.134 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.859 -7.895 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.124 -9.527 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.497 -8.412 -3.736 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.485 -11.558 -3.472 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.350 -12.710 -3.701 1.00 0.00 C ATOM 1642 C GLU A 119 -12.568 -13.863 -4.323 1.00 0.00 C ATOM 1643 O GLU A 119 -11.519 -13.658 -4.932 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.521 -12.325 -4.608 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.437 -11.274 -4.005 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.747 -11.141 -4.758 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -17.481 -12.147 -4.853 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.037 -10.032 -5.253 1.00 0.00 O ATOM 0 H GLU A 119 -12.226 -11.050 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.739 -13.037 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.129 -11.953 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.105 -13.218 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.644 -11.531 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.926 -10.311 -4.000 1.00 0.00 H new ATOM 1655 N MET A 120 -13.087 -15.076 -4.163 1.00 0.00 N ATOM 1656 CA MET A 120 -12.438 -16.262 -4.710 1.00 0.00 C ATOM 1657 C MET A 120 -12.723 -16.399 -6.202 1.00 0.00 C ATOM 1658 O MET A 120 -13.824 -16.119 -6.676 1.00 0.00 O ATOM 1659 CB MET A 120 -12.912 -17.515 -3.971 1.00 0.00 C ATOM 1660 CG MET A 120 -12.399 -17.609 -2.543 1.00 0.00 C ATOM 1661 SD MET A 120 -12.614 -19.253 -1.834 1.00 0.00 S ATOM 1662 CE MET A 120 -10.917 -19.823 -1.780 1.00 0.00 C ATOM 0 H MET A 120 -13.954 -15.263 -3.660 1.00 0.00 H new ATOM 0 HA MET A 120 -11.362 -16.153 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.002 -17.529 -3.958 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.588 -18.397 -4.524 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.342 -17.344 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.922 -16.880 -1.924 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.898 -20.912 -1.818 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.371 -19.420 -2.633 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.449 -19.484 -0.856 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.709 -16.840 -6.962 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.828 -17.024 -8.411 1.00 0.00 C ATOM 1674 C PRO A 121 -12.737 -18.193 -8.774 1.00 0.00 C ATOM 1675 O PRO A 121 -12.916 -19.122 -7.986 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.390 -17.308 -8.851 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.728 -17.873 -7.642 1.00 0.00 C ATOM 1678 CD PRO A 121 -10.369 -17.193 -6.464 1.00 0.00 C ATOM 0 HA PRO A 121 -12.274 -16.156 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.362 -18.012 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.892 -16.398 -9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.865 -18.953 -7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.654 -17.688 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -10.423 -17.854 -5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.809 -16.310 -6.156 1.00 0.00 H new