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= 0.178 K(o=-1.1,f=-2) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.25 K(o=-1.1,f=-2.1!) USER MOD Set 2.1: A 72 CYS SG : rot 168:sc= 0.562 USER MOD Set 2.2: A 93 THR OG1 : rot 168:sc= 0.651 USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.0321 (180deg=-0.273) USER MOD Single : A 37 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 0.289 (180deg=0.196) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 23:sc= 0.299 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 12:sc= 0.0734 USER MOD Single : A 89 SER OG : rot 32:sc= 0.0381 USER MOD Single : A 90 TYR OH : rot -16:sc= 0.0838 USER MOD Single : A 94 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.167) USER MOD Single : A 98 TYR OH : rot -48:sc= 1.23 USER MOD Single : A 112 SER OG : rot -156:sc= 0.522 USER MOD Single : A 115 LYS NZ :NH3+ -154:sc= 0.481 (180deg=0.086) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.546 19.355 -0.861 1.00 0.00 N ATOM 363 CA PRO A 29 2.775 18.111 -0.941 1.00 0.00 C ATOM 364 C PRO A 29 1.302 18.320 -0.610 1.00 0.00 C ATOM 365 O PRO A 29 0.961 18.810 0.467 1.00 0.00 O ATOM 366 CB PRO A 29 3.438 17.215 0.109 1.00 0.00 C ATOM 367 CG PRO A 29 4.050 18.162 1.083 1.00 0.00 C ATOM 368 CD PRO A 29 4.474 19.363 0.283 1.00 0.00 C ATOM 0 HA PRO A 29 2.783 17.690 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.708 16.566 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.191 16.568 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.335 18.441 1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.903 17.707 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.390 20.282 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.512 19.284 -0.041 1.00 0.00 H new ATOM 376 N ASP A 30 0.432 17.944 -1.541 1.00 0.00 N ATOM 377 CA ASP A 30 -1.006 18.089 -1.347 1.00 0.00 C ATOM 378 C ASP A 30 -1.708 16.739 -1.460 1.00 0.00 C ATOM 379 O ASP A 30 -2.096 16.302 -2.543 1.00 0.00 O ATOM 380 CB ASP A 30 -1.585 19.066 -2.372 1.00 0.00 C ATOM 381 CG ASP A 30 -1.577 20.498 -1.875 1.00 0.00 C ATOM 382 OD1 ASP A 30 -2.107 20.747 -0.772 1.00 0.00 O ATOM 383 OD2 ASP A 30 -1.039 21.370 -2.588 1.00 0.00 O ATOM 0 H ASP A 30 0.698 17.536 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.175 18.484 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.010 19.002 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.607 18.773 -2.612 1.00 0.00 H new ATOM 388 N PRO A 31 -1.875 16.061 -0.315 1.00 0.00 N ATOM 389 CA PRO A 31 -2.530 14.751 -0.259 1.00 0.00 C ATOM 390 C PRO A 31 -4.026 14.838 -0.539 1.00 0.00 C ATOM 391 O PRO A 31 -4.608 13.939 -1.145 1.00 0.00 O ATOM 392 CB PRO A 31 -2.281 14.291 1.180 1.00 0.00 C ATOM 393 CG PRO A 31 -2.097 15.551 1.954 1.00 0.00 C ATOM 394 CD PRO A 31 -1.437 16.521 1.014 1.00 0.00 C ATOM 0 HA PRO A 31 -2.139 14.068 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.122 13.711 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.399 13.654 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.054 15.937 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.480 15.381 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.752 17.546 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.351 16.498 1.110 1.00 0.00 H new ATOM 402 N SER A 32 -4.644 15.928 -0.093 1.00 0.00 N ATOM 403 CA SER A 32 -6.074 16.131 -0.293 1.00 0.00 C ATOM 404 C SER A 32 -6.436 16.028 -1.772 1.00 0.00 C ATOM 405 O SER A 32 -7.597 15.823 -2.127 1.00 0.00 O ATOM 406 CB SER A 32 -6.498 17.496 0.253 1.00 0.00 C ATOM 407 OG SER A 32 -6.092 18.541 -0.614 1.00 0.00 O ATOM 0 H SER A 32 -4.177 16.683 0.409 1.00 0.00 H new ATOM 0 HA SER A 32 -6.606 15.349 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.581 17.521 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.061 17.648 1.240 1.00 0.00 H new ATOM 0 HG SER A 32 -6.376 19.403 -0.243 1.00 0.00 H new ATOM 413 N LYS A 33 -5.433 16.172 -2.631 1.00 0.00 N ATOM 414 CA LYS A 33 -5.642 16.094 -4.072 1.00 0.00 C ATOM 415 C LYS A 33 -5.412 14.674 -4.580 1.00 0.00 C ATOM 416 O LYS A 33 -5.843 14.318 -5.676 1.00 0.00 O ATOM 417 CB LYS A 33 -4.706 17.064 -4.797 1.00 0.00 C ATOM 418 CG LYS A 33 -4.965 18.523 -4.463 1.00 0.00 C ATOM 419 CD LYS A 33 -6.226 19.035 -5.139 1.00 0.00 C ATOM 420 CE LYS A 33 -6.005 19.272 -6.625 1.00 0.00 C ATOM 421 NZ LYS A 33 -5.478 20.639 -6.896 1.00 0.00 N ATOM 0 H LYS A 33 -4.466 16.344 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.675 16.372 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.675 16.819 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.811 16.922 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.057 18.639 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.113 19.126 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.032 18.315 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.543 19.964 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.306 18.530 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.945 19.133 -7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.341 20.762 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.156 21.347 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.568 20.764 -6.407 1.00 0.00 H new ATOM 435 N VAL A 34 -4.730 13.866 -3.774 1.00 0.00 N ATOM 436 CA VAL A 34 -4.445 12.484 -4.140 1.00 0.00 C ATOM 437 C VAL A 34 -5.723 11.654 -4.193 1.00 0.00 C ATOM 438 O VAL A 34 -6.333 11.367 -3.163 1.00 0.00 O ATOM 439 CB VAL A 34 -3.463 11.831 -3.149 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.218 10.376 -3.519 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.155 12.607 -3.107 1.00 0.00 C ATOM 0 H VAL A 34 -4.365 14.145 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.989 12.507 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.907 11.857 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.522 9.932 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.161 9.830 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.795 10.322 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.473 12.132 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.704 12.614 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.350 13.631 -2.789 1.00 0.00 H new ATOM 451 N LYS A 35 -6.124 11.271 -5.400 1.00 0.00 N ATOM 452 CA LYS A 35 -7.329 10.472 -5.589 1.00 0.00 C ATOM 453 C LYS A 35 -6.981 9.073 -6.088 1.00 0.00 C ATOM 454 O LYS A 35 -6.281 8.916 -7.087 1.00 0.00 O ATOM 455 CB LYS A 35 -8.270 11.159 -6.581 1.00 0.00 C ATOM 456 CG LYS A 35 -9.097 12.273 -5.963 1.00 0.00 C ATOM 457 CD LYS A 35 -10.399 11.746 -5.384 1.00 0.00 C ATOM 458 CE LYS A 35 -11.487 12.809 -5.400 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.944 13.115 -6.785 1.00 0.00 N ATOM 0 H LYS A 35 -5.632 11.501 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.830 10.381 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.682 11.567 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.941 10.414 -7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.521 12.763 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.313 13.029 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.728 10.879 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.233 11.409 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.335 12.470 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.112 13.719 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.895 13.534 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.285 13.787 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.971 12.238 -7.343 1.00 0.00 H new ATOM 473 N ALA A 36 -7.477 8.059 -5.385 1.00 0.00 N ATOM 474 CA ALA A 36 -7.221 6.674 -5.758 1.00 0.00 C ATOM 475 C ALA A 36 -8.484 6.008 -6.296 1.00 0.00 C ATOM 476 O ALA A 36 -9.484 5.889 -5.588 1.00 0.00 O ATOM 477 CB ALA A 36 -6.679 5.897 -4.567 1.00 0.00 C ATOM 0 H ALA A 36 -8.058 8.172 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.473 6.670 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.493 4.864 -4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.748 6.352 -4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.408 5.918 -3.757 1.00 0.00 H new ATOM 483 N HIS A 37 -8.431 5.577 -7.552 1.00 0.00 N ATOM 484 CA HIS A 37 -9.572 4.924 -8.184 1.00 0.00 C ATOM 485 C HIS A 37 -9.117 3.743 -9.037 1.00 0.00 C ATOM 486 O HIS A 37 -8.176 3.857 -9.822 1.00 0.00 O ATOM 487 CB HIS A 37 -10.345 5.922 -9.046 1.00 0.00 C ATOM 488 CG HIS A 37 -9.467 6.780 -9.904 1.00 0.00 C ATOM 489 ND1 HIS A 37 -8.903 6.339 -11.082 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.057 8.061 -9.749 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.183 7.311 -11.614 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.260 8.367 -10.825 1.00 0.00 N ATOM 0 H HIS A 37 -7.611 5.668 -8.152 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.228 4.551 -7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.040 5.376 -9.684 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.943 6.563 -8.398 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.310 8.720 -8.931 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.626 7.252 -12.537 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.802 9.264 -10.988 1.00 0.00 H new ATOM 501 N GLY A 38 -9.792 2.609 -8.877 1.00 0.00 N ATOM 502 CA GLY A 38 -9.441 1.424 -9.638 1.00 0.00 C ATOM 503 C GLY A 38 -10.064 0.164 -9.068 1.00 0.00 C ATOM 504 O GLY A 38 -10.733 0.189 -8.035 1.00 0.00 O ATOM 0 H GLY A 38 -10.575 2.490 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.764 1.550 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.357 1.314 -9.654 1.00 0.00 H new ATOM 508 N PRO A 39 -9.846 -0.969 -9.752 1.00 0.00 N ATOM 509 CA PRO A 39 -10.383 -2.265 -9.327 1.00 0.00 C ATOM 510 C PRO A 39 -9.711 -2.784 -8.060 1.00 0.00 C ATOM 511 O PRO A 39 -10.367 -3.344 -7.183 1.00 0.00 O ATOM 512 CB PRO A 39 -10.073 -3.184 -10.512 1.00 0.00 C ATOM 513 CG PRO A 39 -8.898 -2.556 -11.180 1.00 0.00 C ATOM 514 CD PRO A 39 -9.058 -1.073 -10.992 1.00 0.00 C ATOM 0 HA PRO A 39 -11.443 -2.206 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.845 -4.196 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.923 -3.256 -11.191 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.965 -2.907 -10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.867 -2.814 -12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.094 -0.574 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.574 -0.614 -11.836 1.00 0.00 H new ATOM 522 N GLY A 40 -8.398 -2.594 -7.972 1.00 0.00 N ATOM 523 CA GLY A 40 -7.659 -3.049 -6.809 1.00 0.00 C ATOM 524 C GLY A 40 -8.238 -2.520 -5.511 1.00 0.00 C ATOM 525 O GLY A 40 -8.065 -3.126 -4.453 1.00 0.00 O ATOM 0 H GLY A 40 -7.833 -2.133 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.659 -4.139 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.620 -2.732 -6.896 1.00 0.00 H new ATOM 529 N LEU A 41 -8.924 -1.385 -5.591 1.00 0.00 N ATOM 530 CA LEU A 41 -9.529 -0.773 -4.413 1.00 0.00 C ATOM 531 C LEU A 41 -10.803 -1.508 -4.010 1.00 0.00 C ATOM 532 O LEU A 41 -10.994 -1.844 -2.842 1.00 0.00 O ATOM 533 CB LEU A 41 -9.841 0.700 -4.683 1.00 0.00 C ATOM 534 CG LEU A 41 -8.662 1.564 -5.134 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.128 2.975 -5.459 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.581 1.591 -4.064 1.00 0.00 C ATOM 0 H LEU A 41 -9.075 -0.870 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.816 -0.843 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.617 0.752 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.258 1.135 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.240 1.125 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.276 3.575 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.867 2.939 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.576 3.423 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.750 2.210 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.991 2.005 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.226 0.577 -3.880 1.00 0.00 H new ATOM 548 N GLU A 42 -11.670 -1.757 -4.987 1.00 0.00 N ATOM 549 CA GLU A 42 -12.926 -2.455 -4.733 1.00 0.00 C ATOM 550 C GLU A 42 -12.668 -3.880 -4.253 1.00 0.00 C ATOM 551 O GLU A 42 -13.364 -4.386 -3.373 1.00 0.00 O ATOM 552 CB GLU A 42 -13.786 -2.478 -5.998 1.00 0.00 C ATOM 553 CG GLU A 42 -14.239 -1.101 -6.451 1.00 0.00 C ATOM 554 CD GLU A 42 -15.235 -0.470 -5.497 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.878 -1.219 -4.732 1.00 0.00 O ATOM 556 OE2 GLU A 42 -15.371 0.771 -5.515 1.00 0.00 O ATOM 0 H GLU A 42 -11.526 -1.486 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.460 -1.918 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.221 -2.948 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.664 -3.099 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.370 -0.450 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.689 -1.178 -7.441 1.00 0.00 H new ATOM 563 N GLY A 43 -11.663 -4.524 -4.839 1.00 0.00 N ATOM 564 CA GLY A 43 -11.332 -5.885 -4.460 1.00 0.00 C ATOM 565 C GLY A 43 -10.646 -6.647 -5.576 1.00 0.00 C ATOM 566 O GLY A 43 -9.981 -6.055 -6.424 1.00 0.00 O ATOM 0 H GLY A 43 -11.072 -4.127 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.683 -5.867 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.243 -6.410 -4.172 1.00 0.00 H new ATOM 570 N GLY A 44 -10.807 -7.967 -5.575 1.00 0.00 N ATOM 571 CA GLY A 44 -10.190 -8.790 -6.599 1.00 0.00 C ATOM 572 C GLY A 44 -10.397 -10.272 -6.354 1.00 0.00 C ATOM 573 O GLY A 44 -11.488 -10.700 -5.976 1.00 0.00 O ATOM 0 H GLY A 44 -11.353 -8.481 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.603 -8.524 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.122 -8.577 -6.637 1.00 0.00 H new ATOM 577 N LEU A 45 -9.348 -11.058 -6.571 1.00 0.00 N ATOM 578 CA LEU A 45 -9.419 -12.501 -6.373 1.00 0.00 C ATOM 579 C LEU A 45 -8.088 -13.048 -5.868 1.00 0.00 C ATOM 580 O LEU A 45 -7.022 -12.547 -6.228 1.00 0.00 O ATOM 581 CB LEU A 45 -9.807 -13.196 -7.679 1.00 0.00 C ATOM 582 CG LEU A 45 -11.143 -12.775 -8.292 1.00 0.00 C ATOM 583 CD1 LEU A 45 -11.131 -12.992 -9.798 1.00 0.00 C ATOM 584 CD2 LEU A 45 -12.290 -13.542 -7.651 1.00 0.00 C ATOM 0 H LEU A 45 -8.438 -10.720 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.182 -12.703 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.021 -13.014 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.834 -14.271 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.290 -11.712 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.090 -12.687 -10.217 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.334 -12.398 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.961 -14.047 -10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.233 -13.229 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.148 -14.611 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.312 -13.337 -6.581 1.00 0.00 H new ATOM 596 N VAL A 46 -8.156 -14.081 -5.035 1.00 0.00 N ATOM 597 CA VAL A 46 -6.956 -14.699 -4.483 1.00 0.00 C ATOM 598 C VAL A 46 -6.092 -15.301 -5.585 1.00 0.00 C ATOM 599 O VAL A 46 -6.599 -15.932 -6.512 1.00 0.00 O ATOM 600 CB VAL A 46 -7.308 -15.798 -3.464 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.044 -16.405 -2.874 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.203 -15.241 -2.368 1.00 0.00 C ATOM 0 H VAL A 46 -9.030 -14.508 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.398 -13.911 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.854 -16.587 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.313 -17.180 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.444 -16.842 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.468 -15.628 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.442 -16.031 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.686 -14.432 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.124 -14.859 -2.809 1.00 0.00 H new ATOM 612 N GLY A 47 -4.781 -15.102 -5.478 1.00 0.00 N ATOM 613 CA GLY A 47 -3.867 -15.632 -6.473 1.00 0.00 C ATOM 614 C GLY A 47 -3.780 -14.756 -7.707 1.00 0.00 C ATOM 615 O GLY A 47 -2.837 -14.865 -8.491 1.00 0.00 O ATOM 0 H GLY A 47 -4.336 -14.584 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.875 -15.733 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.191 -16.632 -6.763 1.00 0.00 H new ATOM 619 N LYS A 48 -4.768 -13.885 -7.882 1.00 0.00 N ATOM 620 CA LYS A 48 -4.802 -12.986 -9.029 1.00 0.00 C ATOM 621 C LYS A 48 -4.329 -11.589 -8.640 1.00 0.00 C ATOM 622 O LYS A 48 -4.571 -11.112 -7.531 1.00 0.00 O ATOM 623 CB LYS A 48 -6.217 -12.915 -9.606 1.00 0.00 C ATOM 624 CG LYS A 48 -6.490 -13.955 -10.679 1.00 0.00 C ATOM 625 CD LYS A 48 -7.532 -13.470 -11.673 1.00 0.00 C ATOM 626 CE LYS A 48 -7.988 -14.592 -12.593 1.00 0.00 C ATOM 627 NZ LYS A 48 -6.995 -14.866 -13.669 1.00 0.00 N ATOM 0 H LYS A 48 -5.557 -13.783 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.126 -13.381 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.937 -13.042 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.380 -11.922 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.564 -14.188 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.833 -14.879 -10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.390 -13.067 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.118 -12.656 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.149 -15.498 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.946 -14.327 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.343 -15.637 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.860 -14.009 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.088 -15.144 -13.242 1.00 0.00 H new ATOM 641 N PRO A 49 -3.639 -10.915 -9.573 1.00 0.00 N ATOM 642 CA PRO A 49 -3.120 -9.562 -9.351 1.00 0.00 C ATOM 643 C PRO A 49 -4.231 -8.520 -9.279 1.00 0.00 C ATOM 644 O PRO A 49 -5.312 -8.712 -9.834 1.00 0.00 O ATOM 645 CB PRO A 49 -2.235 -9.317 -10.575 1.00 0.00 C ATOM 646 CG PRO A 49 -2.794 -10.206 -11.631 1.00 0.00 C ATOM 647 CD PRO A 49 -3.314 -11.422 -10.917 1.00 0.00 C ATOM 0 HA PRO A 49 -2.591 -9.479 -8.402 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.264 -8.271 -10.882 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.193 -9.559 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.591 -9.705 -12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.028 -10.478 -12.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.192 -11.835 -11.414 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.567 -12.215 -10.878 1.00 0.00 H new ATOM 655 N ALA A 50 -3.956 -7.416 -8.591 1.00 0.00 N ATOM 656 CA ALA A 50 -4.932 -6.343 -8.449 1.00 0.00 C ATOM 657 C ALA A 50 -4.242 -4.991 -8.300 1.00 0.00 C ATOM 658 O ALA A 50 -3.441 -4.790 -7.388 1.00 0.00 O ATOM 659 CB ALA A 50 -5.840 -6.608 -7.257 1.00 0.00 C ATOM 0 H ALA A 50 -3.066 -7.242 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.539 -6.315 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.564 -5.798 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.367 -7.551 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.240 -6.665 -6.349 1.00 0.00 H new ATOM 665 N GLU A 51 -4.559 -4.067 -9.203 1.00 0.00 N ATOM 666 CA GLU A 51 -3.967 -2.735 -9.171 1.00 0.00 C ATOM 667 C GLU A 51 -5.036 -1.661 -9.356 1.00 0.00 C ATOM 668 O GLU A 51 -6.204 -1.966 -9.595 1.00 0.00 O ATOM 669 CB GLU A 51 -2.900 -2.601 -10.259 1.00 0.00 C ATOM 670 CG GLU A 51 -3.340 -3.133 -11.612 1.00 0.00 C ATOM 671 CD GLU A 51 -4.036 -2.081 -12.454 1.00 0.00 C ATOM 672 OE1 GLU A 51 -3.679 -0.890 -12.330 1.00 0.00 O ATOM 673 OE2 GLU A 51 -4.937 -2.448 -13.237 1.00 0.00 O ATOM 0 H GLU A 51 -5.221 -4.217 -9.964 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.500 -2.595 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.628 -1.550 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.003 -3.133 -9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.470 -3.508 -12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.012 -3.978 -11.465 1.00 0.00 H new ATOM 680 N PHE A 52 -4.626 -0.402 -9.243 1.00 0.00 N ATOM 681 CA PHE A 52 -5.547 0.718 -9.395 1.00 0.00 C ATOM 682 C PHE A 52 -4.855 1.905 -10.059 1.00 0.00 C ATOM 683 O PHE A 52 -3.663 1.852 -10.366 1.00 0.00 O ATOM 684 CB PHE A 52 -6.107 1.136 -8.034 1.00 0.00 C ATOM 685 CG PHE A 52 -5.070 1.180 -6.948 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.479 0.014 -6.488 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.687 2.387 -6.386 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.524 0.051 -5.489 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.733 2.431 -5.388 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.152 1.261 -4.938 1.00 0.00 C ATOM 0 H PHE A 52 -3.662 -0.132 -9.047 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.369 0.395 -10.034 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.568 2.120 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.895 0.441 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.768 -0.935 -6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.140 3.304 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.070 -0.865 -5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.442 3.379 -4.960 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.408 1.293 -4.156 1.00 0.00 H new ATOM 700 N THR A 53 -5.611 2.977 -10.278 1.00 0.00 N ATOM 701 CA THR A 53 -5.072 4.177 -10.906 1.00 0.00 C ATOM 702 C THR A 53 -5.061 5.350 -9.933 1.00 0.00 C ATOM 703 O THR A 53 -6.113 5.795 -9.471 1.00 0.00 O ATOM 704 CB THR A 53 -5.882 4.569 -12.156 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.161 3.406 -12.944 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.125 5.587 -12.995 1.00 0.00 C ATOM 0 H THR A 53 -6.598 3.038 -10.030 1.00 0.00 H new ATOM 0 HA THR A 53 -4.049 3.946 -11.203 1.00 0.00 H new ATOM 0 HB THR A 53 -6.819 5.018 -11.828 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.678 3.664 -13.736 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.717 5.848 -13.872 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.941 6.483 -12.402 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.174 5.161 -13.313 1.00 0.00 H new ATOM 714 N ILE A 54 -3.868 5.846 -9.625 1.00 0.00 N ATOM 715 CA ILE A 54 -3.722 6.970 -8.708 1.00 0.00 C ATOM 716 C ILE A 54 -3.394 8.255 -9.460 1.00 0.00 C ATOM 717 O ILE A 54 -2.512 8.276 -10.318 1.00 0.00 O ATOM 718 CB ILE A 54 -2.621 6.704 -7.663 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.934 5.431 -6.874 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.483 7.894 -6.726 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.885 5.090 -5.839 1.00 0.00 C ATOM 0 H ILE A 54 -2.988 5.488 -9.997 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.677 7.086 -8.196 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.673 6.563 -8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.898 5.548 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.032 4.597 -7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.702 7.692 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.220 8.782 -7.301 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.429 8.063 -6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.172 4.177 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.924 4.941 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.803 5.906 -5.122 1.00 0.00 H new ATOM 733 N ASP A 55 -4.108 9.325 -9.130 1.00 0.00 N ATOM 734 CA ASP A 55 -3.892 10.617 -9.772 1.00 0.00 C ATOM 735 C ASP A 55 -3.275 11.613 -8.795 1.00 0.00 C ATOM 736 O ASP A 55 -3.981 12.407 -8.172 1.00 0.00 O ATOM 737 CB ASP A 55 -5.211 11.167 -10.317 1.00 0.00 C ATOM 738 CG ASP A 55 -5.507 10.678 -11.721 1.00 0.00 C ATOM 739 OD1 ASP A 55 -5.364 9.462 -11.967 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.880 11.511 -12.573 1.00 0.00 O ATOM 0 H ASP A 55 -4.842 9.324 -8.421 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.199 10.472 -10.600 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.025 10.873 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.175 12.256 -10.315 1.00 0.00 H new ATOM 745 N THR A 56 -1.953 11.565 -8.664 1.00 0.00 N ATOM 746 CA THR A 56 -1.241 12.460 -7.762 1.00 0.00 C ATOM 747 C THR A 56 -0.839 13.749 -8.470 1.00 0.00 C ATOM 748 O THR A 56 0.072 14.452 -8.033 1.00 0.00 O ATOM 749 CB THR A 56 0.020 11.791 -7.184 1.00 0.00 C ATOM 750 OG1 THR A 56 0.941 11.489 -8.238 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.339 10.515 -6.437 1.00 0.00 C ATOM 0 H THR A 56 -1.354 10.915 -9.172 1.00 0.00 H new ATOM 0 HA THR A 56 -1.925 12.694 -6.946 1.00 0.00 H new ATOM 0 HB THR A 56 0.484 12.485 -6.484 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.741 11.065 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.567 10.060 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.018 10.752 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.824 9.818 -7.120 1.00 0.00 H new ATOM 759 N LYS A 57 -1.525 14.055 -9.566 1.00 0.00 N ATOM 760 CA LYS A 57 -1.242 15.261 -10.335 1.00 0.00 C ATOM 761 C LYS A 57 -1.573 16.512 -9.527 1.00 0.00 C ATOM 762 O LYS A 57 -2.649 16.617 -8.940 1.00 0.00 O ATOM 763 CB LYS A 57 -2.041 15.258 -11.640 1.00 0.00 C ATOM 764 CG LYS A 57 -1.910 13.968 -12.430 1.00 0.00 C ATOM 765 CD LYS A 57 -2.872 13.934 -13.606 1.00 0.00 C ATOM 766 CE LYS A 57 -2.296 13.149 -14.775 1.00 0.00 C ATOM 767 NZ LYS A 57 -1.539 14.024 -15.712 1.00 0.00 N ATOM 0 H LYS A 57 -2.282 13.484 -9.942 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.177 15.271 -10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.093 15.430 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.709 16.090 -12.261 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.887 13.864 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.104 13.118 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.814 13.484 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.095 14.952 -13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.638 12.366 -14.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.104 12.654 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.944 13.437 -16.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.207 14.572 -16.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.936 14.675 -15.169 1.00 0.00 H new ATOM 781 N GLY A 58 -0.640 17.459 -9.502 1.00 0.00 N ATOM 782 CA GLY A 58 -0.852 18.690 -8.764 1.00 0.00 C ATOM 783 C GLY A 58 -0.453 18.570 -7.307 1.00 0.00 C ATOM 784 O GLY A 58 0.090 19.508 -6.725 1.00 0.00 O ATOM 0 H GLY A 58 0.259 17.395 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.279 19.492 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.903 18.971 -8.827 1.00 0.00 H new ATOM 788 N ALA A 59 -0.725 17.411 -6.715 1.00 0.00 N ATOM 789 CA ALA A 59 -0.390 17.171 -5.316 1.00 0.00 C ATOM 790 C ALA A 59 0.941 17.818 -4.952 1.00 0.00 C ATOM 791 O ALA A 59 1.038 18.549 -3.967 1.00 0.00 O ATOM 792 CB ALA A 59 -0.348 15.677 -5.033 1.00 0.00 C ATOM 0 H ALA A 59 -1.176 16.624 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.165 17.625 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.097 15.512 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.323 15.239 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.406 15.208 -5.665 1.00 0.00 H new ATOM 798 N GLY A 60 1.967 17.544 -5.752 1.00 0.00 N ATOM 799 CA GLY A 60 3.279 18.107 -5.496 1.00 0.00 C ATOM 800 C GLY A 60 4.372 17.057 -5.499 1.00 0.00 C ATOM 801 O GLY A 60 4.401 16.182 -6.365 1.00 0.00 O ATOM 0 H GLY A 60 1.912 16.942 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.501 18.860 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.271 18.615 -4.532 1.00 0.00 H new ATOM 805 N THR A 61 5.275 17.142 -4.527 1.00 0.00 N ATOM 806 CA THR A 61 6.376 16.193 -4.422 1.00 0.00 C ATOM 807 C THR A 61 6.579 15.743 -2.980 1.00 0.00 C ATOM 808 O THR A 61 6.239 16.462 -2.041 1.00 0.00 O ATOM 809 CB THR A 61 7.691 16.798 -4.948 1.00 0.00 C ATOM 810 OG1 THR A 61 8.580 15.754 -5.363 1.00 0.00 O ATOM 811 CG2 THR A 61 8.363 17.647 -3.879 1.00 0.00 C ATOM 0 H THR A 61 5.265 17.859 -3.801 1.00 0.00 H new ATOM 0 HA THR A 61 6.110 15.332 -5.035 1.00 0.00 H new ATOM 0 HB THR A 61 7.456 17.435 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.413 16.147 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.290 18.063 -4.274 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.696 18.458 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.585 17.028 -3.009 1.00 0.00 H new ATOM 819 N GLY A 62 7.137 14.548 -2.810 1.00 0.00 N ATOM 820 CA GLY A 62 7.375 14.023 -1.478 1.00 0.00 C ATOM 821 C GLY A 62 7.470 12.510 -1.459 1.00 0.00 C ATOM 822 O GLY A 62 7.812 11.890 -2.465 1.00 0.00 O ATOM 0 H GLY A 62 7.428 13.934 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.299 14.447 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.570 14.342 -0.816 1.00 0.00 H new ATOM 826 N GLY A 63 7.168 11.914 -0.310 1.00 0.00 N ATOM 827 CA GLY A 63 7.229 10.469 -0.185 1.00 0.00 C ATOM 828 C GLY A 63 5.897 9.865 0.212 1.00 0.00 C ATOM 829 O GLY A 63 5.300 10.264 1.213 1.00 0.00 O ATOM 0 H GLY A 63 6.882 12.406 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.551 10.039 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.981 10.203 0.558 1.00 0.00 H new ATOM 833 N LEU A 64 5.429 8.901 -0.573 1.00 0.00 N ATOM 834 CA LEU A 64 4.157 8.241 -0.299 1.00 0.00 C ATOM 835 C LEU A 64 4.379 6.885 0.363 1.00 0.00 C ATOM 836 O LEU A 64 5.228 6.105 -0.066 1.00 0.00 O ATOM 837 CB LEU A 64 3.361 8.066 -1.593 1.00 0.00 C ATOM 838 CG LEU A 64 1.986 7.412 -1.453 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.926 8.460 -1.149 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.630 6.641 -2.715 1.00 0.00 C ATOM 0 H LEU A 64 5.911 8.559 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 64 3.589 8.871 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.230 9.047 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.956 7.469 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 64 2.022 6.709 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.046 7.977 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.173 8.967 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.891 9.188 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.648 6.183 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.612 7.323 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.375 5.864 -2.889 1.00 0.00 H new ATOM 852 N GLY A 65 3.608 6.610 1.411 1.00 0.00 N ATOM 853 CA GLY A 65 3.734 5.347 2.114 1.00 0.00 C ATOM 854 C GLY A 65 2.535 4.444 1.903 1.00 0.00 C ATOM 855 O GLY A 65 1.427 4.758 2.340 1.00 0.00 O ATOM 0 H GLY A 65 2.898 7.240 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.635 4.835 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.857 5.539 3.180 1.00 0.00 H new ATOM 859 N LEU A 66 2.755 3.319 1.231 1.00 0.00 N ATOM 860 CA LEU A 66 1.683 2.367 0.962 1.00 0.00 C ATOM 861 C LEU A 66 1.917 1.058 1.708 1.00 0.00 C ATOM 862 O LEU A 66 2.929 0.387 1.504 1.00 0.00 O ATOM 863 CB LEU A 66 1.578 2.100 -0.541 1.00 0.00 C ATOM 864 CG LEU A 66 0.316 1.371 -1.006 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.813 2.360 -1.249 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.600 0.564 -2.264 1.00 0.00 C ATOM 0 H LEU A 66 3.666 3.044 0.863 1.00 0.00 H new ATOM 0 HA LEU A 66 0.747 2.801 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.636 3.054 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.445 1.515 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 66 0.006 0.683 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.702 1.823 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.034 2.894 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.513 3.073 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.309 0.052 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.935 1.232 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.377 -0.171 -2.057 1.00 0.00 H new ATOM 878 N THR A 67 0.973 0.698 2.572 1.00 0.00 N ATOM 879 CA THR A 67 1.075 -0.532 3.347 1.00 0.00 C ATOM 880 C THR A 67 -0.239 -1.304 3.330 1.00 0.00 C ATOM 881 O THR A 67 -1.318 -0.713 3.366 1.00 0.00 O ATOM 882 CB THR A 67 1.469 -0.243 4.808 1.00 0.00 C ATOM 883 OG1 THR A 67 0.711 0.862 5.311 1.00 0.00 O ATOM 884 CG2 THR A 67 2.955 0.063 4.917 1.00 0.00 C ATOM 0 H THR A 67 0.129 1.241 2.753 1.00 0.00 H new ATOM 0 HA THR A 67 1.853 -1.136 2.881 1.00 0.00 H new ATOM 0 HB THR A 67 1.252 -1.131 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.966 1.038 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.210 0.264 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.530 -0.792 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.192 0.937 4.310 1.00 0.00 H new ATOM 892 N VAL A 68 -0.141 -2.628 3.276 1.00 0.00 N ATOM 893 CA VAL A 68 -1.323 -3.482 3.257 1.00 0.00 C ATOM 894 C VAL A 68 -1.581 -4.096 4.628 1.00 0.00 C ATOM 895 O VAL A 68 -0.849 -4.982 5.069 1.00 0.00 O ATOM 896 CB VAL A 68 -1.183 -4.611 2.219 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.225 -5.693 2.462 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.299 -4.055 0.808 1.00 0.00 C ATOM 0 H VAL A 68 0.745 -3.133 3.245 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.166 -2.848 2.982 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.196 -5.060 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.110 -6.482 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.089 -6.111 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.223 -5.262 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.198 -4.867 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.271 -3.579 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.511 -3.321 0.640 1.00 0.00 H new ATOM 908 N GLU A 69 -2.626 -3.620 5.297 1.00 0.00 N ATOM 909 CA GLU A 69 -2.979 -4.122 6.620 1.00 0.00 C ATOM 910 C GLU A 69 -4.035 -5.220 6.520 1.00 0.00 C ATOM 911 O GLU A 69 -5.171 -5.045 6.958 1.00 0.00 O ATOM 912 CB GLU A 69 -3.494 -2.983 7.502 1.00 0.00 C ATOM 913 CG GLU A 69 -2.391 -2.227 8.224 1.00 0.00 C ATOM 914 CD GLU A 69 -1.856 -2.982 9.425 1.00 0.00 C ATOM 915 OE1 GLU A 69 -2.673 -3.479 10.228 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.618 -3.078 9.561 1.00 0.00 O ATOM 0 H GLU A 69 -3.243 -2.888 4.945 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.081 -4.544 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.059 -2.284 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.187 -3.390 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.574 -2.032 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.772 -1.259 8.548 1.00 0.00 H new ATOM 923 N GLY A 70 -3.649 -6.353 5.940 1.00 0.00 N ATOM 924 CA GLY A 70 -4.573 -7.462 5.792 1.00 0.00 C ATOM 925 C GLY A 70 -4.227 -8.629 6.695 1.00 0.00 C ATOM 926 O GLY A 70 -3.299 -8.563 7.502 1.00 0.00 O ATOM 0 H GLY A 70 -2.713 -6.522 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.584 -7.121 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.571 -7.796 4.755 1.00 0.00 H new ATOM 930 N PRO A 71 -4.986 -9.727 6.567 1.00 0.00 N ATOM 931 CA PRO A 71 -4.774 -10.935 7.371 1.00 0.00 C ATOM 932 C PRO A 71 -3.487 -11.661 6.997 1.00 0.00 C ATOM 933 O PRO A 71 -3.048 -12.569 7.705 1.00 0.00 O ATOM 934 CB PRO A 71 -5.992 -11.800 7.039 1.00 0.00 C ATOM 935 CG PRO A 71 -6.424 -11.345 5.688 1.00 0.00 C ATOM 936 CD PRO A 71 -6.109 -9.875 5.626 1.00 0.00 C ATOM 0 HA PRO A 71 -4.673 -10.706 8.432 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.736 -12.860 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.785 -11.665 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.897 -11.890 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.489 -11.523 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.832 -9.565 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.964 -9.268 5.922 1.00 0.00 H new ATOM 944 N CYS A 72 -2.886 -11.257 5.884 1.00 0.00 N ATOM 945 CA CYS A 72 -1.648 -11.870 5.416 1.00 0.00 C ATOM 946 C CYS A 72 -0.851 -10.897 4.553 1.00 0.00 C ATOM 947 O CYS A 72 -1.374 -10.333 3.593 1.00 0.00 O ATOM 948 CB CYS A 72 -1.953 -13.142 4.623 1.00 0.00 C ATOM 949 SG CYS A 72 -0.559 -14.287 4.500 1.00 0.00 S ATOM 0 H CYS A 72 -3.236 -10.507 5.288 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.047 -12.129 6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.792 -13.657 5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.270 -12.864 3.618 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.976 -15.430 4.042 1.00 0.00 H new ATOM 955 N GLU A 73 0.417 -10.706 4.904 1.00 0.00 N ATOM 956 CA GLU A 73 1.285 -9.798 4.163 1.00 0.00 C ATOM 957 C GLU A 73 1.282 -10.137 2.675 1.00 0.00 C ATOM 958 O GLU A 73 1.842 -11.150 2.257 1.00 0.00 O ATOM 959 CB GLU A 73 2.712 -9.863 4.709 1.00 0.00 C ATOM 960 CG GLU A 73 3.655 -8.858 4.068 1.00 0.00 C ATOM 961 CD GLU A 73 5.114 -9.226 4.254 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.518 -10.311 3.786 1.00 0.00 O ATOM 963 OE2 GLU A 73 5.853 -8.428 4.869 1.00 0.00 O ATOM 0 H GLU A 73 0.865 -11.167 5.696 1.00 0.00 H new ATOM 0 HA GLU A 73 0.902 -8.785 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.689 -9.691 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.106 -10.868 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.435 -8.787 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.475 -7.872 4.497 1.00 0.00 H new ATOM 970 N ALA A 74 0.646 -9.282 1.880 1.00 0.00 N ATOM 971 CA ALA A 74 0.571 -9.489 0.440 1.00 0.00 C ATOM 972 C ALA A 74 1.628 -8.666 -0.289 1.00 0.00 C ATOM 973 O ALA A 74 1.883 -7.513 0.061 1.00 0.00 O ATOM 974 CB ALA A 74 -0.818 -9.139 -0.072 1.00 0.00 C ATOM 0 H ALA A 74 0.175 -8.439 2.210 1.00 0.00 H new ATOM 0 HA ALA A 74 0.766 -10.542 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.859 -9.298 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.557 -9.774 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.034 -8.094 0.149 1.00 0.00 H new ATOM 980 N LYS A 75 2.242 -9.265 -1.304 1.00 0.00 N ATOM 981 CA LYS A 75 3.271 -8.587 -2.083 1.00 0.00 C ATOM 982 C LYS A 75 2.728 -7.305 -2.704 1.00 0.00 C ATOM 983 O LYS A 75 1.560 -7.237 -3.089 1.00 0.00 O ATOM 984 CB LYS A 75 3.800 -9.513 -3.181 1.00 0.00 C ATOM 985 CG LYS A 75 5.169 -9.114 -3.706 1.00 0.00 C ATOM 986 CD LYS A 75 5.879 -10.288 -4.359 1.00 0.00 C ATOM 987 CE LYS A 75 5.243 -10.652 -5.692 1.00 0.00 C ATOM 988 NZ LYS A 75 5.677 -11.996 -6.165 1.00 0.00 N ATOM 0 H LYS A 75 2.045 -10.219 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 75 4.088 -8.326 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.851 -10.530 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.091 -9.523 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.061 -8.305 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.776 -8.730 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.929 -10.040 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.848 -11.150 -3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.158 -10.635 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.507 -9.902 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.222 -12.207 -7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.710 -12.005 -6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.402 -12.715 -5.466 1.00 0.00 H new ATOM 1002 N ILE A 76 3.582 -6.291 -2.799 1.00 0.00 N ATOM 1003 CA ILE A 76 3.187 -5.012 -3.376 1.00 0.00 C ATOM 1004 C ILE A 76 4.242 -4.500 -4.351 1.00 0.00 C ATOM 1005 O ILE A 76 5.368 -4.198 -3.959 1.00 0.00 O ATOM 1006 CB ILE A 76 2.954 -3.950 -2.284 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.079 -4.520 -1.166 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.315 -2.706 -2.883 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.154 -3.730 0.121 1.00 0.00 C ATOM 0 H ILE A 76 4.551 -6.331 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 76 2.253 -5.182 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 76 3.918 -3.670 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.044 -4.549 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.379 -5.549 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.157 -1.965 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.972 -2.291 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.357 -2.969 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.509 -4.191 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.182 -3.722 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.825 -2.707 -0.061 1.00 0.00 H new ATOM 1021 N GLU A 77 3.866 -4.402 -5.623 1.00 0.00 N ATOM 1022 CA GLU A 77 4.780 -3.925 -6.654 1.00 0.00 C ATOM 1023 C GLU A 77 4.280 -2.618 -7.261 1.00 0.00 C ATOM 1024 O GLU A 77 3.349 -2.612 -8.068 1.00 0.00 O ATOM 1025 CB GLU A 77 4.944 -4.980 -7.750 1.00 0.00 C ATOM 1026 CG GLU A 77 5.794 -6.167 -7.330 1.00 0.00 C ATOM 1027 CD GLU A 77 5.956 -7.190 -8.438 1.00 0.00 C ATOM 1028 OE1 GLU A 77 6.072 -6.780 -9.612 1.00 0.00 O ATOM 1029 OE2 GLU A 77 5.966 -8.400 -8.130 1.00 0.00 O ATOM 0 H GLU A 77 2.936 -4.646 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 77 5.749 -3.742 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.959 -5.337 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.394 -4.514 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.777 -5.813 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.340 -6.646 -6.462 1.00 0.00 H new ATOM 1036 N CYS A 78 4.904 -1.513 -6.868 1.00 0.00 N ATOM 1037 CA CYS A 78 4.522 -0.198 -7.373 1.00 0.00 C ATOM 1038 C CYS A 78 5.537 0.309 -8.391 1.00 0.00 C ATOM 1039 O CYS A 78 6.744 0.268 -8.153 1.00 0.00 O ATOM 1040 CB CYS A 78 4.398 0.797 -6.218 1.00 0.00 C ATOM 1041 SG CYS A 78 5.964 1.173 -5.396 1.00 0.00 S ATOM 0 H CYS A 78 5.676 -1.501 -6.202 1.00 0.00 H new ATOM 0 HA CYS A 78 3.555 -0.292 -7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 78 3.967 1.724 -6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 78 3.700 0.398 -5.482 1.00 0.00 H new ATOM 0 HG CYS A 78 6.950 0.926 -6.207 1.00 0.00 H new ATOM 1047 N SER A 79 5.039 0.786 -9.528 1.00 0.00 N ATOM 1048 CA SER A 79 5.903 1.296 -10.586 1.00 0.00 C ATOM 1049 C SER A 79 5.355 2.602 -11.152 1.00 0.00 C ATOM 1050 O SER A 79 4.268 2.634 -11.729 1.00 0.00 O ATOM 1051 CB SER A 79 6.042 0.261 -11.704 1.00 0.00 C ATOM 1052 OG SER A 79 6.762 0.791 -12.803 1.00 0.00 O ATOM 0 H SER A 79 4.042 0.830 -9.740 1.00 0.00 H new ATOM 0 HA SER A 79 6.886 1.490 -10.156 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.553 -0.624 -11.323 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.053 -0.058 -12.033 1.00 0.00 H new ATOM 0 HG SER A 79 6.838 0.110 -13.503 1.00 0.00 H new ATOM 1058 N ASP A 80 6.116 3.678 -10.983 1.00 0.00 N ATOM 1059 CA ASP A 80 5.708 4.988 -11.477 1.00 0.00 C ATOM 1060 C ASP A 80 5.543 4.970 -12.994 1.00 0.00 C ATOM 1061 O ASP A 80 6.129 4.134 -13.681 1.00 0.00 O ATOM 1062 CB ASP A 80 6.734 6.050 -11.076 1.00 0.00 C ATOM 1063 CG ASP A 80 7.313 5.804 -9.697 1.00 0.00 C ATOM 1064 OD1 ASP A 80 6.534 5.485 -8.774 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.545 5.930 -9.541 1.00 0.00 O ATOM 0 H ASP A 80 7.018 3.669 -10.508 1.00 0.00 H new ATOM 0 HA ASP A 80 4.746 5.235 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.541 6.066 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.263 7.033 -11.099 1.00 0.00 H new ATOM 1070 N ASN A 81 4.741 5.896 -13.508 1.00 0.00 N ATOM 1071 CA ASN A 81 4.498 5.985 -14.943 1.00 0.00 C ATOM 1072 C ASN A 81 5.341 7.090 -15.571 1.00 0.00 C ATOM 1073 O ASN A 81 6.043 6.867 -16.556 1.00 0.00 O ATOM 1074 CB ASN A 81 3.014 6.244 -15.215 1.00 0.00 C ATOM 1075 CG ASN A 81 2.169 4.996 -15.044 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.514 4.879 -13.894 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 2.105 4.149 -15.934 1.00 0.00 N flip ATOM 0 H ASN A 81 4.248 6.595 -12.952 1.00 0.00 H new ATOM 0 HA ASN A 81 4.783 5.034 -15.394 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.653 7.019 -14.539 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.894 6.625 -16.229 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.625 4.280 -16.801 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.532 3.315 -15.804 1.00 0.00 H new ATOM 1084 N GLY A 82 5.268 8.285 -14.991 1.00 0.00 N ATOM 1085 CA GLY A 82 6.030 9.408 -15.507 1.00 0.00 C ATOM 1086 C GLY A 82 5.142 10.534 -15.998 1.00 0.00 C ATOM 1087 O GLY A 82 5.619 11.637 -16.266 1.00 0.00 O ATOM 0 H GLY A 82 4.695 8.495 -14.174 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.691 9.784 -14.726 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.665 9.067 -16.325 1.00 0.00 H new ATOM 1091 N ASP A 83 3.849 10.256 -16.118 1.00 0.00 N ATOM 1092 CA ASP A 83 2.892 11.255 -16.581 1.00 0.00 C ATOM 1093 C ASP A 83 2.136 11.869 -15.407 1.00 0.00 C ATOM 1094 O ASP A 83 1.536 12.936 -15.531 1.00 0.00 O ATOM 1095 CB ASP A 83 1.905 10.628 -17.567 1.00 0.00 C ATOM 1096 CG ASP A 83 1.091 11.668 -18.311 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.313 12.393 -17.655 1.00 0.00 O ATOM 1098 OD2 ASP A 83 1.232 11.758 -19.548 1.00 0.00 O ATOM 0 H ASP A 83 3.439 9.348 -15.901 1.00 0.00 H new ATOM 0 HA ASP A 83 3.446 12.046 -17.086 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.452 10.017 -18.285 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.232 9.961 -17.028 1.00 0.00 H new ATOM 1103 N GLY A 84 2.168 11.186 -14.266 1.00 0.00 N ATOM 1104 CA GLY A 84 1.482 11.679 -13.087 1.00 0.00 C ATOM 1105 C GLY A 84 0.613 10.620 -12.437 1.00 0.00 C ATOM 1106 O GLY A 84 -0.353 10.938 -11.742 1.00 0.00 O ATOM 0 H GLY A 84 2.657 10.300 -14.138 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.217 12.035 -12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.864 12.534 -13.361 1.00 0.00 H new ATOM 1110 N THR A 85 0.956 9.355 -12.663 1.00 0.00 N ATOM 1111 CA THR A 85 0.199 8.246 -12.096 1.00 0.00 C ATOM 1112 C THR A 85 1.125 7.123 -11.643 1.00 0.00 C ATOM 1113 O THR A 85 2.341 7.197 -11.826 1.00 0.00 O ATOM 1114 CB THR A 85 -0.815 7.682 -13.110 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.184 7.495 -14.382 1.00 0.00 O ATOM 1116 CG2 THR A 85 -2.006 8.617 -13.261 1.00 0.00 C ATOM 0 H THR A 85 1.753 9.074 -13.234 1.00 0.00 H new ATOM 0 HA THR A 85 -0.340 8.639 -11.234 1.00 0.00 H new ATOM 0 HB THR A 85 -1.172 6.722 -12.738 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.835 7.135 -15.020 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.708 8.198 -13.982 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.501 8.734 -12.297 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.663 9.590 -13.612 1.00 0.00 H new ATOM 1124 N CYS A 86 0.544 6.085 -11.053 1.00 0.00 N ATOM 1125 CA CYS A 86 1.319 4.946 -10.573 1.00 0.00 C ATOM 1126 C CYS A 86 0.570 3.639 -10.815 1.00 0.00 C ATOM 1127 O CYS A 86 -0.657 3.589 -10.728 1.00 0.00 O ATOM 1128 CB CYS A 86 1.627 5.103 -9.084 1.00 0.00 C ATOM 1129 SG CYS A 86 3.145 4.276 -8.553 1.00 0.00 S ATOM 0 H CYS A 86 -0.461 6.008 -10.895 1.00 0.00 H new ATOM 0 HA CYS A 86 2.256 4.915 -11.129 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.703 6.165 -8.850 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.790 4.709 -8.507 1.00 0.00 H new ATOM 0 HG CYS A 86 3.321 4.468 -7.279 1.00 0.00 H new ATOM 1135 N SER A 87 1.317 2.583 -11.122 1.00 0.00 N ATOM 1136 CA SER A 87 0.724 1.277 -11.382 1.00 0.00 C ATOM 1137 C SER A 87 1.012 0.311 -10.236 1.00 0.00 C ATOM 1138 O SER A 87 1.853 -0.580 -10.357 1.00 0.00 O ATOM 1139 CB SER A 87 1.259 0.702 -12.695 1.00 0.00 C ATOM 1140 OG SER A 87 2.631 1.014 -12.866 1.00 0.00 O ATOM 0 H SER A 87 2.334 2.607 -11.197 1.00 0.00 H new ATOM 0 HA SER A 87 -0.355 1.406 -11.463 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.125 -0.380 -12.704 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.685 1.101 -13.531 1.00 0.00 H new ATOM 0 HG SER A 87 2.992 1.370 -12.028 1.00 0.00 H new ATOM 1146 N VAL A 88 0.308 0.496 -9.124 1.00 0.00 N ATOM 1147 CA VAL A 88 0.486 -0.359 -7.956 1.00 0.00 C ATOM 1148 C VAL A 88 -0.305 -1.654 -8.096 1.00 0.00 C ATOM 1149 O VAL A 88 -1.521 -1.633 -8.285 1.00 0.00 O ATOM 1150 CB VAL A 88 0.051 0.359 -6.664 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.170 -0.575 -5.469 1.00 0.00 C ATOM 1152 CG2 VAL A 88 0.876 1.619 -6.451 1.00 0.00 C ATOM 0 H VAL A 88 -0.391 1.230 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 88 1.549 -0.592 -7.894 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.995 0.650 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.141 -0.051 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.468 -1.445 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.205 -0.899 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.555 2.113 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.930 1.354 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.734 2.294 -7.295 1.00 0.00 H new ATOM 1162 N SER A 89 0.393 -2.781 -8.003 1.00 0.00 N ATOM 1163 CA SER A 89 -0.243 -4.087 -8.123 1.00 0.00 C ATOM 1164 C SER A 89 0.122 -4.981 -6.941 1.00 0.00 C ATOM 1165 O SER A 89 1.295 -5.122 -6.596 1.00 0.00 O ATOM 1166 CB SER A 89 0.169 -4.761 -9.433 1.00 0.00 C ATOM 1167 OG SER A 89 1.579 -4.775 -9.578 1.00 0.00 O ATOM 0 H SER A 89 1.400 -2.816 -7.845 1.00 0.00 H new ATOM 0 HA SER A 89 -1.323 -3.938 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.212 -5.782 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.281 -4.234 -10.274 1.00 0.00 H new ATOM 0 HG SER A 89 1.998 -4.839 -8.694 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.890 -5.581 -6.326 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.677 -6.459 -5.182 1.00 0.00 C ATOM 1175 C TYR A 90 -1.262 -7.844 -5.441 1.00 0.00 C ATOM 1176 O TYR A 90 -2.257 -7.987 -6.152 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.306 -5.854 -3.925 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.817 -5.898 -3.923 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.562 -4.859 -4.469 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.501 -6.976 -3.375 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.943 -4.893 -4.469 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.882 -7.020 -3.372 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.598 -5.976 -3.920 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.974 -6.015 -3.918 1.00 0.00 O ATOM 0 H TYR A 90 -1.867 -5.476 -6.600 1.00 0.00 H new ATOM 0 HA TYR A 90 0.397 -6.562 -5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.934 -6.387 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.981 -4.818 -3.829 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.052 -4.010 -4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.943 -7.794 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.507 -4.077 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.398 -7.867 -2.943 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.327 -5.118 -4.097 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.637 -8.861 -4.858 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.095 -10.236 -5.024 1.00 0.00 C ATOM 1196 C LEU A 91 -1.414 -10.871 -3.675 1.00 0.00 C ATOM 1197 O LEU A 91 -0.524 -11.251 -2.914 1.00 0.00 O ATOM 1198 CB LEU A 91 -0.033 -11.063 -5.751 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.148 -11.113 -7.275 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.207 -11.397 -7.904 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -1.165 -12.163 -7.699 1.00 0.00 C ATOM 0 H LEU A 91 0.188 -8.760 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.007 -10.219 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.948 -10.664 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.072 -12.084 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.492 -10.140 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.105 -11.429 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.908 -10.609 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.580 -12.357 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.234 -12.185 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.851 -13.141 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.140 -11.916 -7.279 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.715 -10.990 -3.369 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.181 -11.581 -2.112 1.00 0.00 C ATOM 1215 C PRO A 92 -2.928 -13.083 -2.048 1.00 0.00 C ATOM 1216 O PRO A 92 -2.688 -13.727 -3.070 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.685 -11.292 -2.120 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.036 -11.159 -3.562 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.830 -10.558 -4.228 1.00 0.00 C ATOM 0 HA PRO A 92 -2.658 -11.168 -1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.246 -12.099 -1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.916 -10.380 -1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.278 -12.129 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.912 -10.523 -3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.713 -10.919 -5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.899 -9.471 -4.280 1.00 0.00 H new ATOM 1227 N THR A 93 -2.983 -13.637 -0.840 1.00 0.00 N ATOM 1228 CA THR A 93 -2.758 -15.064 -0.643 1.00 0.00 C ATOM 1229 C THR A 93 -4.045 -15.771 -0.232 1.00 0.00 C ATOM 1230 O THR A 93 -4.320 -16.888 -0.671 1.00 0.00 O ATOM 1231 CB THR A 93 -1.680 -15.320 0.426 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.834 -14.396 1.509 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.286 -15.186 -0.168 1.00 0.00 C ATOM 0 H THR A 93 -3.181 -13.119 0.016 1.00 0.00 H new ATOM 0 HA THR A 93 -2.415 -15.465 -1.597 1.00 0.00 H new ATOM 0 HB THR A 93 -1.803 -16.337 0.797 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.277 -14.680 2.263 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.459 -15.371 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.162 -15.911 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.155 -14.179 -0.564 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.831 -15.114 0.614 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.090 -15.678 1.084 1.00 0.00 C ATOM 1243 C LYS A 94 -7.217 -14.655 0.981 1.00 0.00 C ATOM 1244 O LYS A 94 -7.002 -13.447 1.078 1.00 0.00 O ATOM 1245 CB LYS A 94 -5.951 -16.154 2.532 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.838 -15.020 3.537 1.00 0.00 C ATOM 1247 CD LYS A 94 -5.229 -15.494 4.846 1.00 0.00 C ATOM 1248 CE LYS A 94 -6.292 -16.025 5.795 1.00 0.00 C ATOM 1249 NZ LYS A 94 -6.547 -17.477 5.586 1.00 0.00 N ATOM 0 H LYS A 94 -4.618 -14.189 0.988 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.336 -16.530 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.813 -16.770 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.069 -16.790 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.226 -14.221 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.826 -14.600 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.496 -16.275 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.696 -14.670 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.977 -15.856 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.218 -15.469 5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.572 -17.652 5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.138 -17.774 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.109 -18.021 6.357 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.448 -15.148 0.780 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.633 -14.294 0.661 1.00 0.00 C ATOM 1265 C PRO A 95 -10.007 -13.634 1.984 1.00 0.00 C ATOM 1266 O PRO A 95 -10.259 -14.313 2.978 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.730 -15.267 0.220 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.280 -16.596 0.722 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.778 -16.578 0.654 1.00 0.00 C ATOM 0 HA PRO A 95 -9.472 -13.469 -0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.697 -14.991 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.844 -15.271 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.622 -16.764 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.689 -17.402 0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.332 -17.166 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.413 -16.993 -0.285 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.043 -12.305 1.988 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.387 -11.575 3.194 1.00 0.00 C ATOM 1279 C GLY A 96 -10.579 -10.093 2.941 1.00 0.00 C ATOM 1280 O GLY A 96 -11.389 -9.700 2.102 1.00 0.00 O ATOM 0 H GLY A 96 -9.840 -11.721 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.302 -11.990 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.601 -11.715 3.936 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.832 -9.269 3.668 1.00 0.00 N ATOM 1285 CA GLU A 97 -9.926 -7.821 3.519 1.00 0.00 C ATOM 1286 C GLU A 97 -8.545 -7.176 3.590 1.00 0.00 C ATOM 1287 O GLU A 97 -7.856 -7.269 4.606 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.832 -7.232 4.602 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.255 -7.762 4.559 1.00 0.00 C ATOM 1290 CD GLU A 97 -13.073 -7.149 3.439 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -12.518 -6.958 2.336 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -14.266 -6.860 3.664 1.00 0.00 O ATOM 0 H GLU A 97 -9.155 -9.579 4.366 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.357 -7.610 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.402 -7.448 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.854 -6.147 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.232 -8.845 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.743 -7.560 5.513 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.147 -6.523 2.504 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.848 -5.865 2.440 1.00 0.00 C ATOM 1301 C TYR A 98 -7.003 -4.347 2.470 1.00 0.00 C ATOM 1302 O TYR A 98 -7.488 -3.742 1.514 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.100 -6.287 1.175 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.833 -7.773 1.096 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.830 -8.658 0.705 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.584 -8.292 1.414 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.591 -10.017 0.633 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.335 -9.649 1.343 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.342 -10.508 0.952 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.099 -11.860 0.882 1.00 0.00 O ATOM 0 H TYR A 98 -8.706 -6.435 1.655 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.272 -6.171 3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.679 -5.984 0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.151 -5.753 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.809 -8.277 0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.794 -7.623 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.378 -10.691 0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.358 -10.036 1.592 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.817 -12.346 1.339 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.588 -3.738 3.576 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.681 -2.292 3.733 1.00 0.00 C ATOM 1322 C PHE A 99 -5.412 -1.608 3.234 1.00 0.00 C ATOM 1323 O PHE A 99 -4.339 -1.764 3.818 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.926 -1.931 5.200 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.318 -2.243 5.670 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.738 -3.556 5.808 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.205 -1.223 5.974 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.019 -3.845 6.239 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.487 -1.507 6.406 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.894 -2.820 6.540 1.00 0.00 C ATOM 0 H PHE A 99 -6.184 -4.224 4.377 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.521 -1.940 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.212 -2.470 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.733 -0.867 5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.057 -4.362 5.576 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.891 -0.195 5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.336 -4.873 6.340 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.170 -0.703 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.894 -3.045 6.879 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.542 -0.850 2.150 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.406 -0.141 1.572 1.00 0.00 C ATOM 1342 C VAL A 100 -4.237 1.235 2.205 1.00 0.00 C ATOM 1343 O VAL A 100 -5.009 2.154 1.931 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.563 0.022 0.048 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.316 0.653 -0.553 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.858 -1.321 -0.603 1.00 0.00 C ATOM 0 H VAL A 100 -6.422 -0.711 1.654 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.520 -0.742 1.776 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.405 0.686 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.445 0.760 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.154 1.635 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.454 0.017 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.966 -1.188 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.038 -2.010 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.782 -1.729 -0.193 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.222 1.371 3.052 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.951 2.636 3.724 1.00 0.00 C ATOM 1358 C ASN A 101 -2.183 3.585 2.809 1.00 0.00 C ATOM 1359 O ASN A 101 -1.013 3.355 2.501 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.157 2.395 5.009 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.935 1.580 6.025 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.546 2.130 6.942 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -2.915 0.262 5.866 1.00 0.00 N ATOM 0 H ASN A 101 -2.574 0.620 3.289 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.906 3.096 3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.228 1.878 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.883 3.354 5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.419 -0.338 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.395 -0.150 5.091 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.849 4.652 2.379 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.228 5.636 1.501 1.00 0.00 C ATOM 1372 C ILE A 102 -2.000 6.956 2.230 1.00 0.00 C ATOM 1373 O ILE A 102 -2.950 7.666 2.563 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.088 5.895 0.250 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.317 4.591 -0.517 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.423 6.932 -0.644 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.262 4.738 -1.689 1.00 0.00 C ATOM 0 H ILE A 102 -3.818 4.857 2.624 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.267 5.223 1.193 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.056 6.283 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.359 4.218 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.714 3.841 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.042 7.105 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.306 7.866 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.443 6.569 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.378 3.775 -2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.233 5.081 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.857 5.464 -2.394 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.735 7.280 2.472 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.381 8.517 3.160 1.00 0.00 C ATOM 1391 C LEU A 103 0.738 9.248 2.424 1.00 0.00 C ATOM 1392 O LEU A 103 1.765 8.657 2.089 1.00 0.00 O ATOM 1393 CB LEU A 103 0.049 8.219 4.598 1.00 0.00 C ATOM 1394 CG LEU A 103 0.691 6.852 4.837 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.182 6.903 4.538 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.448 6.391 6.267 1.00 0.00 C ATOM 0 H LEU A 103 0.063 6.704 2.202 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.261 9.160 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.754 8.989 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.826 8.305 5.243 1.00 0.00 H new ATOM 0 HG LEU A 103 0.230 6.132 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.622 5.921 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.335 7.188 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.659 7.636 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.912 5.416 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.882 7.112 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.624 6.314 6.447 1.00 0.00 H new ATOM 1408 N PHE A 104 0.533 10.537 2.178 1.00 0.00 N ATOM 1409 CA PHE A 104 1.524 11.350 1.483 1.00 0.00 C ATOM 1410 C PHE A 104 2.304 12.217 2.467 1.00 0.00 C ATOM 1411 O PHE A 104 1.747 13.121 3.088 1.00 0.00 O ATOM 1412 CB PHE A 104 0.846 12.234 0.434 1.00 0.00 C ATOM 1413 CG PHE A 104 1.750 12.615 -0.704 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.397 11.642 -1.448 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.952 13.947 -1.029 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.229 11.990 -2.495 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.782 14.301 -2.075 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.423 13.321 -2.809 1.00 0.00 C ATOM 0 H PHE A 104 -0.311 11.042 2.450 1.00 0.00 H new ATOM 0 HA PHE A 104 2.223 10.678 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.024 11.711 0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.480 13.141 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.250 10.600 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.455 14.717 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.727 11.222 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.930 15.343 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.074 13.595 -3.626 1.00 0.00 H new ATOM 1428 N GLU A 105 3.595 11.932 2.603 1.00 0.00 N ATOM 1429 CA GLU A 105 4.451 12.685 3.513 1.00 0.00 C ATOM 1430 C GLU A 105 3.938 12.588 4.947 1.00 0.00 C ATOM 1431 O GLU A 105 3.903 13.582 5.672 1.00 0.00 O ATOM 1432 CB GLU A 105 4.524 14.152 3.084 1.00 0.00 C ATOM 1433 CG GLU A 105 5.253 14.365 1.768 1.00 0.00 C ATOM 1434 CD GLU A 105 6.756 14.466 1.944 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.364 13.491 2.433 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.325 15.521 1.592 1.00 0.00 O ATOM 0 H GLU A 105 4.071 11.186 2.095 1.00 0.00 H new ATOM 0 HA GLU A 105 5.451 12.252 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.512 14.547 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.025 14.726 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.025 13.540 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.884 15.275 1.296 1.00 0.00 H new ATOM 1443 N GLU A 106 3.542 11.384 5.348 1.00 0.00 N ATOM 1444 CA GLU A 106 3.030 11.158 6.694 1.00 0.00 C ATOM 1445 C GLU A 106 1.641 11.769 6.858 1.00 0.00 C ATOM 1446 O GLU A 106 1.252 12.169 7.955 1.00 0.00 O ATOM 1447 CB GLU A 106 3.985 11.750 7.733 1.00 0.00 C ATOM 1448 CG GLU A 106 5.450 11.470 7.443 1.00 0.00 C ATOM 1449 CD GLU A 106 6.320 11.576 8.680 1.00 0.00 C ATOM 1450 OE1 GLU A 106 5.801 11.348 9.792 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.521 11.886 8.534 1.00 0.00 O ATOM 0 H GLU A 106 3.566 10.551 4.760 1.00 0.00 H new ATOM 0 HA GLU A 106 2.956 10.082 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.833 12.828 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.735 11.348 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.548 10.471 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.808 12.172 6.690 1.00 0.00 H new ATOM 1458 N VAL A 107 0.898 11.838 5.758 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.448 12.398 5.778 1.00 0.00 C ATOM 1460 C VAL A 107 -1.445 11.459 5.109 1.00 0.00 C ATOM 1461 O VAL A 107 -1.383 11.228 3.901 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.496 13.767 5.072 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.822 14.461 5.343 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.671 14.636 5.516 1.00 0.00 C ATOM 0 H VAL A 107 1.206 11.513 4.841 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.722 12.527 6.825 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.411 13.606 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.838 15.426 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.639 13.843 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.941 14.612 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.622 15.599 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.620 14.791 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.609 14.141 5.265 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.365 10.919 5.903 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.377 10.004 5.388 1.00 0.00 C ATOM 1476 C HIS A 108 -4.317 10.722 4.424 1.00 0.00 C ATOM 1477 O HIS A 108 -4.987 11.686 4.797 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.177 9.394 6.539 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.608 8.104 7.046 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.214 6.882 6.839 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.482 7.850 7.752 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.485 5.933 7.397 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.429 6.493 7.958 1.00 0.00 N ATOM 0 H HIS A 108 -2.430 11.099 6.905 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.869 9.206 4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.221 10.110 7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.202 9.225 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.760 8.578 8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.714 4.877 7.395 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.693 5.998 8.462 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.362 10.245 3.184 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.220 10.841 2.168 1.00 0.00 C ATOM 1494 C ILE A 109 -6.693 10.617 2.492 1.00 0.00 C ATOM 1495 O ILE A 109 -7.070 9.639 3.137 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.920 10.268 0.771 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.299 8.786 0.711 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.451 10.458 0.424 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.637 8.304 -0.682 1.00 0.00 C ATOM 0 H ILE A 109 -3.814 9.448 2.859 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.010 11.911 2.165 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.519 10.808 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.473 8.192 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.154 8.611 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.255 10.048 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.210 11.521 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.834 9.942 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.896 7.246 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.483 8.872 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.776 8.446 -1.335 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.548 11.542 2.032 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.994 11.466 2.259 1.00 0.00 C ATOM 1513 C PRO A 110 -9.646 10.334 1.472 1.00 0.00 C ATOM 1514 O PRO A 110 -10.206 10.552 0.399 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.503 12.823 1.763 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.487 13.267 0.767 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.168 12.735 1.255 1.00 0.00 C ATOM 0 HA PRO A 110 -9.232 11.261 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.490 12.734 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.592 13.536 2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.720 12.882 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.465 14.354 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.506 12.481 0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.643 13.465 1.871 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.568 9.122 2.015 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.155 7.973 1.350 1.00 0.00 C ATOM 1527 C GLY A 111 -9.498 6.669 1.759 1.00 0.00 C ATOM 1528 O GLY A 111 -10.031 5.590 1.500 1.00 0.00 O ATOM 0 H GLY A 111 -9.109 8.916 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.219 7.928 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.068 8.098 0.271 1.00 0.00 H new ATOM 1532 N SER A 112 -8.337 6.768 2.398 1.00 0.00 N ATOM 1533 CA SER A 112 -7.604 5.587 2.839 1.00 0.00 C ATOM 1534 C SER A 112 -7.777 5.368 4.339 1.00 0.00 C ATOM 1535 O SER A 112 -8.051 6.296 5.100 1.00 0.00 O ATOM 1536 CB SER A 112 -6.118 5.728 2.501 1.00 0.00 C ATOM 1537 OG SER A 112 -5.401 6.298 3.581 1.00 0.00 O ATOM 0 H SER A 112 -7.884 7.654 2.622 1.00 0.00 H new ATOM 0 HA SER A 112 -8.009 4.722 2.314 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.702 4.750 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.001 6.351 1.614 1.00 0.00 H new ATOM 0 HG SER A 112 -4.589 6.730 3.243 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.614 4.110 4.775 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.289 2.997 3.878 1.00 0.00 C ATOM 1545 C PRO A 113 -8.451 2.633 2.961 1.00 0.00 C ATOM 1546 O PRO A 113 -9.561 3.142 3.117 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.984 1.845 4.838 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.738 2.177 6.079 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.736 3.677 6.177 1.00 0.00 C ATOM 0 HA PRO A 113 -6.465 3.241 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.304 0.889 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.915 1.765 5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.756 1.791 6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.267 1.728 6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.652 4.051 6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.906 4.039 6.783 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.189 1.748 2.004 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.214 1.316 1.061 1.00 0.00 C ATOM 1559 C PHE A 114 -9.458 -0.187 1.174 1.00 0.00 C ATOM 1560 O PHE A 114 -8.751 -0.989 0.563 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.804 1.672 -0.369 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.928 3.136 -0.681 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.932 4.024 -0.307 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.040 3.624 -1.348 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.042 5.372 -0.593 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.155 4.971 -1.637 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.156 5.846 -1.258 1.00 0.00 C ATOM 0 H PHE A 114 -7.276 1.316 1.861 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.140 1.836 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.772 1.360 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.421 1.106 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.059 3.659 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.825 2.945 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.258 6.053 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.026 5.339 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.246 6.899 -1.481 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.462 -0.560 1.959 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.801 -1.965 2.152 1.00 0.00 C ATOM 1579 C LYS A 115 -11.281 -2.593 0.848 1.00 0.00 C ATOM 1580 O LYS A 115 -12.267 -2.150 0.260 1.00 0.00 O ATOM 1581 CB LYS A 115 -11.882 -2.106 3.227 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.308 -3.543 3.475 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.473 -3.941 2.583 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.786 -3.365 3.090 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.263 -4.068 4.314 1.00 0.00 N ATOM 0 H LYS A 115 -11.056 0.091 2.472 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.902 -2.489 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.513 -1.679 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.754 -1.523 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.465 -4.210 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.591 -3.664 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.290 -3.592 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.544 -5.028 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.658 -2.304 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.542 -3.442 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.298 -3.985 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.999 -5.073 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -14.826 -3.638 5.154 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.578 -3.629 0.402 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.935 -4.321 -0.831 1.00 0.00 C ATOM 1601 C ALA A 116 -11.417 -5.739 -0.545 1.00 0.00 C ATOM 1602 O ALA A 116 -10.677 -6.558 0.001 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.749 -4.346 -1.784 1.00 0.00 C ATOM 0 H ALA A 116 -9.758 -4.008 0.876 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.753 -3.776 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.029 -4.866 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.452 -3.325 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.915 -4.866 -1.313 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.660 -6.022 -0.916 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.241 -7.342 -0.700 1.00 0.00 C ATOM 1611 C ASP A 117 -12.729 -8.338 -1.736 1.00 0.00 C ATOM 1612 O ASP A 117 -13.020 -8.214 -2.926 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.767 -7.267 -0.757 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.296 -7.302 -2.177 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -15.558 -8.413 -2.686 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.448 -6.220 -2.780 1.00 0.00 O ATOM 0 H ASP A 117 -13.285 -5.355 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.939 -7.687 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -15.190 -8.099 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -15.101 -6.351 -0.270 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.965 -9.323 -1.276 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.413 -10.339 -2.164 1.00 0.00 C ATOM 1623 C ILE A 118 -12.237 -11.621 -2.112 1.00 0.00 C ATOM 1624 O ILE A 118 -12.752 -11.996 -1.059 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.952 -10.666 -1.805 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -9.089 -9.405 -1.888 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.409 -11.747 -2.727 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.821 -8.948 -3.305 1.00 0.00 C ATOM 0 H ILE A 118 -11.714 -9.439 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.447 -9.929 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.920 -11.039 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.582 -8.600 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -8.138 -9.592 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.375 -11.967 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -10.011 -12.650 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.451 -11.400 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.204 -8.050 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.300 -9.736 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.766 -8.729 -3.802 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.355 -12.289 -3.255 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.116 -13.530 -3.338 1.00 0.00 C ATOM 1642 C GLU A 119 -12.300 -14.623 -4.023 1.00 0.00 C ATOM 1643 O GLU A 119 -11.264 -14.351 -4.629 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.424 -13.303 -4.099 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.298 -12.217 -3.495 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.750 -12.335 -3.917 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -17.371 -13.377 -3.620 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.265 -11.386 -4.545 1.00 0.00 O ATOM 0 H GLU A 119 -11.934 -11.992 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.346 -13.853 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.193 -13.040 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.986 -14.237 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.234 -12.267 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.915 -11.241 -3.792 1.00 0.00 H new ATOM 1655 N MET A 120 -12.775 -15.860 -3.920 1.00 0.00 N ATOM 1656 CA MET A 120 -12.090 -16.995 -4.529 1.00 0.00 C ATOM 1657 C MET A 120 -12.465 -17.128 -6.002 1.00 0.00 C ATOM 1658 O MET A 120 -13.637 -17.086 -6.375 1.00 0.00 O ATOM 1659 CB MET A 120 -12.435 -18.286 -3.784 1.00 0.00 C ATOM 1660 CG MET A 120 -11.839 -18.359 -2.388 1.00 0.00 C ATOM 1661 SD MET A 120 -12.303 -19.866 -1.513 1.00 0.00 S ATOM 1662 CE MET A 120 -10.695 -20.604 -1.233 1.00 0.00 C ATOM 0 H MET A 120 -13.631 -16.102 -3.421 1.00 0.00 H new ATOM 0 HA MET A 120 -11.016 -16.820 -4.459 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.519 -18.376 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.082 -19.137 -4.366 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.753 -18.304 -2.458 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.166 -17.493 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.815 -21.547 -0.699 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.208 -20.789 -2.190 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.082 -19.926 -0.639 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.446 -17.293 -6.859 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.644 -17.436 -8.305 1.00 0.00 C ATOM 1674 C PRO A 121 -12.297 -18.764 -8.672 1.00 0.00 C ATOM 1675 O PRO A 121 -12.065 -19.782 -8.020 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.222 -17.366 -8.866 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.350 -17.816 -7.745 1.00 0.00 C ATOM 1678 CD PRO A 121 -10.024 -17.352 -6.484 1.00 0.00 C ATOM 0 HA PRO A 121 -12.312 -16.672 -8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.109 -18.009 -9.739 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.970 -16.353 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.236 -18.900 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.351 -17.390 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.854 -18.044 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.652 -16.379 -6.164 1.00 0.00 H new