USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=20 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= -0.95 X(o=-2.2,f=-2.4) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.21 X(o=-2.2,f=-2.6!) USER MOD Set 2.1: A 81 ASN : amide:sc= -0.712 X(o=-1.1,f=-0.72) USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= -0.35 USER MOD Set 3.1: A 72 CYS SG : rot -150:sc= -0.815 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 147:sc= -0.989! (180deg=-1.88!) 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+ -135:sc= 0.224 (180deg=-0.158) USER MOD Single : A 37 HIS : no HE2:sc=-0.00198 X(o=-0.002,f=-0.49) 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+ 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= -0.538 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0242) USER MOD Single : A 78 CYS SG : rot 40:sc= -0.116 USER MOD Single : A 79 SER OG : rot 49:sc= 1.06 USER MOD Single : A 86 CYS SG : rot 10:sc= 0.0298 USER MOD Single : A 87 SER OG : rot 178:sc= 0.494 USER MOD Single : A 89 SER OG : rot 180:sc= -0.733 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.636 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -47:sc= 1.06 USER MOD Single : A 112 SER OG : rot -156:sc= 0.402 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.746 19.234 -2.025 1.00 0.00 N ATOM 363 CA PRO A 29 2.925 18.027 -1.890 1.00 0.00 C ATOM 364 C PRO A 29 1.505 18.340 -1.432 1.00 0.00 C ATOM 365 O PRO A 29 1.287 19.244 -0.625 1.00 0.00 O ATOM 366 CB PRO A 29 3.664 17.215 -0.823 1.00 0.00 C ATOM 367 CG PRO A 29 4.412 18.227 -0.027 1.00 0.00 C ATOM 368 CD PRO A 29 4.791 19.316 -0.992 1.00 0.00 C ATOM 0 HA PRO A 29 2.808 17.504 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.967 16.656 -0.198 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.340 16.489 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.796 18.620 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.297 17.786 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.804 20.294 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.784 19.154 -1.411 1.00 0.00 H new ATOM 376 N ASP A 30 0.542 17.587 -1.952 1.00 0.00 N ATOM 377 CA ASP A 30 -0.859 17.784 -1.595 1.00 0.00 C ATOM 378 C ASP A 30 -1.592 16.448 -1.519 1.00 0.00 C ATOM 379 O ASP A 30 -1.911 15.828 -2.534 1.00 0.00 O ATOM 380 CB ASP A 30 -1.543 18.698 -2.612 1.00 0.00 C ATOM 381 CG ASP A 30 -2.685 19.488 -2.004 1.00 0.00 C ATOM 382 OD1 ASP A 30 -3.694 18.866 -1.610 1.00 0.00 O ATOM 383 OD2 ASP A 30 -2.569 20.729 -1.921 1.00 0.00 O ATOM 0 H ASP A 30 0.705 16.835 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.896 18.255 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.809 19.388 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.921 18.098 -3.440 1.00 0.00 H new ATOM 388 N PRO A 31 -1.866 15.992 -0.287 1.00 0.00 N ATOM 389 CA PRO A 31 -2.564 14.726 -0.049 1.00 0.00 C ATOM 390 C PRO A 31 -4.032 14.787 -0.459 1.00 0.00 C ATOM 391 O PRO A 31 -4.589 13.808 -0.957 1.00 0.00 O ATOM 392 CB PRO A 31 -2.439 14.531 1.464 1.00 0.00 C ATOM 393 CG PRO A 31 -2.274 15.907 2.011 1.00 0.00 C ATOM 394 CD PRO A 31 -1.515 16.679 0.967 1.00 0.00 C ATOM 0 HA PRO A 31 -2.139 13.910 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.324 14.045 1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.585 13.901 1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.242 16.367 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.730 15.889 2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.812 17.728 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.441 16.655 1.151 1.00 0.00 H new ATOM 402 N SER A 32 -4.653 15.943 -0.247 1.00 0.00 N ATOM 403 CA SER A 32 -6.058 16.130 -0.591 1.00 0.00 C ATOM 404 C SER A 32 -6.292 15.870 -2.076 1.00 0.00 C ATOM 405 O SER A 32 -7.380 15.462 -2.483 1.00 0.00 O ATOM 406 CB SER A 32 -6.508 17.548 -0.233 1.00 0.00 C ATOM 407 OG SER A 32 -7.917 17.671 -0.311 1.00 0.00 O ATOM 0 H SER A 32 -4.206 16.764 0.161 1.00 0.00 H new ATOM 0 HA SER A 32 -6.646 15.414 -0.017 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.174 17.796 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.039 18.263 -0.909 1.00 0.00 H new ATOM 0 HG SER A 32 -8.179 18.586 -0.076 1.00 0.00 H new ATOM 413 N LYS A 33 -5.263 16.108 -2.882 1.00 0.00 N ATOM 414 CA LYS A 33 -5.354 15.899 -4.322 1.00 0.00 C ATOM 415 C LYS A 33 -5.127 14.433 -4.674 1.00 0.00 C ATOM 416 O LYS A 33 -5.644 13.938 -5.676 1.00 0.00 O ATOM 417 CB LYS A 33 -4.331 16.774 -5.050 1.00 0.00 C ATOM 418 CG LYS A 33 -4.370 18.233 -4.631 1.00 0.00 C ATOM 419 CD LYS A 33 -5.401 19.015 -5.429 1.00 0.00 C ATOM 420 CE LYS A 33 -6.761 18.998 -4.749 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.873 19.121 -5.731 1.00 0.00 N ATOM 0 H LYS A 33 -4.355 16.446 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.357 16.180 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.332 16.379 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.508 16.708 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.603 18.301 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.385 18.679 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.065 20.045 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.488 18.590 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.874 18.071 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.818 19.816 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.783 19.105 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.780 20.017 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.834 18.327 -6.401 1.00 0.00 H new ATOM 435 N VAL A 34 -4.352 13.742 -3.844 1.00 0.00 N ATOM 436 CA VAL A 34 -4.060 12.331 -4.066 1.00 0.00 C ATOM 437 C VAL A 34 -5.318 11.481 -3.930 1.00 0.00 C ATOM 438 O VAL A 34 -5.836 11.291 -2.829 1.00 0.00 O ATOM 439 CB VAL A 34 -2.995 11.816 -3.079 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.744 10.331 -3.292 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.706 12.610 -3.225 1.00 0.00 C ATOM 0 H VAL A 34 -3.915 14.137 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.675 12.244 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.367 11.955 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.989 9.985 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.670 9.779 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.393 10.164 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.965 12.233 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.327 12.505 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.901 13.662 -3.018 1.00 0.00 H new ATOM 451 N LYS A 35 -5.805 10.970 -5.055 1.00 0.00 N ATOM 452 CA LYS A 35 -7.002 10.137 -5.063 1.00 0.00 C ATOM 453 C LYS A 35 -6.701 8.757 -5.638 1.00 0.00 C ATOM 454 O LYS A 35 -5.874 8.617 -6.539 1.00 0.00 O ATOM 455 CB LYS A 35 -8.110 10.809 -5.875 1.00 0.00 C ATOM 456 CG LYS A 35 -8.972 11.758 -5.060 1.00 0.00 C ATOM 457 CD LYS A 35 -9.864 12.606 -5.951 1.00 0.00 C ATOM 458 CE LYS A 35 -9.077 13.710 -6.640 1.00 0.00 C ATOM 459 NZ LYS A 35 -8.657 14.771 -5.684 1.00 0.00 N ATOM 0 H LYS A 35 -5.389 11.118 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.337 10.016 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.660 11.359 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.746 10.039 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.588 11.186 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.334 12.406 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.338 11.973 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.663 13.046 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.196 13.283 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.686 14.152 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.840 15.706 -6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.195 14.674 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.641 14.675 -5.483 1.00 0.00 H new ATOM 473 N ALA A 36 -7.377 7.741 -5.113 1.00 0.00 N ATOM 474 CA ALA A 36 -7.184 6.373 -5.577 1.00 0.00 C ATOM 475 C ALA A 36 -8.477 5.800 -6.148 1.00 0.00 C ATOM 476 O ALA A 36 -9.479 5.678 -5.443 1.00 0.00 O ATOM 477 CB ALA A 36 -6.673 5.498 -4.442 1.00 0.00 C ATOM 0 H ALA A 36 -8.064 7.840 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.440 6.387 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.533 4.479 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.722 5.889 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.398 5.498 -3.628 1.00 0.00 H new ATOM 483 N HIS A 37 -8.448 5.450 -7.430 1.00 0.00 N ATOM 484 CA HIS A 37 -9.618 4.889 -8.097 1.00 0.00 C ATOM 485 C HIS A 37 -9.221 3.735 -9.012 1.00 0.00 C ATOM 486 O HIS A 37 -8.431 3.908 -9.939 1.00 0.00 O ATOM 487 CB HIS A 37 -10.339 5.970 -8.903 1.00 0.00 C ATOM 488 CG HIS A 37 -9.417 6.997 -9.486 1.00 0.00 C ATOM 489 ND1 HIS A 37 -8.858 6.880 -10.741 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.958 8.165 -8.978 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.095 7.931 -10.980 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.139 8.726 -9.926 1.00 0.00 N ATOM 0 H HIS A 37 -7.627 5.545 -8.028 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.293 4.506 -7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.900 5.497 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.064 6.468 -8.260 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.010 6.103 -11.384 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.192 8.578 -8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.531 8.110 -11.883 1.00 0.00 H new ATOM 501 N GLY A 38 -9.775 2.556 -8.744 1.00 0.00 N ATOM 502 CA GLY A 38 -9.466 1.390 -9.552 1.00 0.00 C ATOM 503 C GLY A 38 -10.021 0.110 -8.959 1.00 0.00 C ATOM 504 O GLY A 38 -10.633 0.110 -7.891 1.00 0.00 O ATOM 0 H GLY A 38 -10.432 2.388 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.872 1.528 -10.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.385 1.300 -9.656 1.00 0.00 H new ATOM 508 N PRO A 39 -9.810 -1.012 -9.663 1.00 0.00 N ATOM 509 CA PRO A 39 -10.288 -2.325 -9.220 1.00 0.00 C ATOM 510 C PRO A 39 -9.533 -2.834 -7.996 1.00 0.00 C ATOM 511 O PRO A 39 -10.103 -3.507 -7.139 1.00 0.00 O ATOM 512 CB PRO A 39 -10.018 -3.227 -10.427 1.00 0.00 C ATOM 513 CG PRO A 39 -8.899 -2.562 -11.153 1.00 0.00 C ATOM 514 CD PRO A 39 -9.089 -1.085 -10.945 1.00 0.00 C ATOM 0 HA PRO A 39 -11.335 -2.296 -8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.744 -4.235 -10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.901 -3.318 -11.059 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.934 -2.889 -10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.919 -2.812 -12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.135 -0.559 -10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.663 -0.635 -11.755 1.00 0.00 H new ATOM 522 N GLY A 40 -8.246 -2.506 -7.921 1.00 0.00 N ATOM 523 CA GLY A 40 -7.435 -2.938 -6.798 1.00 0.00 C ATOM 524 C GLY A 40 -7.888 -2.327 -5.487 1.00 0.00 C ATOM 525 O GLY A 40 -7.392 -2.691 -4.420 1.00 0.00 O ATOM 0 H GLY A 40 -7.751 -1.949 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.475 -4.025 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.395 -2.669 -6.980 1.00 0.00 H new ATOM 529 N LEU A 41 -8.831 -1.395 -5.565 1.00 0.00 N ATOM 530 CA LEU A 41 -9.350 -0.730 -4.375 1.00 0.00 C ATOM 531 C LEU A 41 -10.617 -1.417 -3.876 1.00 0.00 C ATOM 532 O LEU A 41 -10.760 -1.685 -2.684 1.00 0.00 O ATOM 533 CB LEU A 41 -9.638 0.742 -4.674 1.00 0.00 C ATOM 534 CG LEU A 41 -8.465 1.560 -5.214 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.924 2.953 -5.615 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.350 1.640 -4.181 1.00 0.00 C ATOM 0 H LEU A 41 -9.252 -1.083 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.593 -0.794 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.453 0.792 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.994 1.215 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.076 1.059 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.075 3.520 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.687 2.876 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.340 3.463 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.523 2.226 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.726 2.116 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.001 0.635 -3.944 1.00 0.00 H new ATOM 548 N GLU A 42 -11.531 -1.702 -4.798 1.00 0.00 N ATOM 549 CA GLU A 42 -12.786 -2.360 -4.451 1.00 0.00 C ATOM 550 C GLU A 42 -12.545 -3.811 -4.043 1.00 0.00 C ATOM 551 O GLU A 42 -13.218 -4.338 -3.159 1.00 0.00 O ATOM 552 CB GLU A 42 -13.760 -2.304 -5.630 1.00 0.00 C ATOM 553 CG GLU A 42 -13.500 -3.367 -6.684 1.00 0.00 C ATOM 554 CD GLU A 42 -14.313 -3.149 -7.945 1.00 0.00 C ATOM 555 OE1 GLU A 42 -14.396 -1.991 -8.406 1.00 0.00 O ATOM 556 OE2 GLU A 42 -14.868 -4.137 -8.471 1.00 0.00 O ATOM 0 H GLU A 42 -11.427 -1.488 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.222 -1.831 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.778 -2.416 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.698 -1.320 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.440 -3.372 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.734 -4.348 -6.271 1.00 0.00 H new ATOM 563 N GLY A 43 -11.579 -4.450 -4.697 1.00 0.00 N ATOM 564 CA GLY A 43 -11.266 -5.834 -4.390 1.00 0.00 C ATOM 565 C GLY A 43 -10.612 -6.552 -5.554 1.00 0.00 C ATOM 566 O GLY A 43 -10.339 -5.948 -6.590 1.00 0.00 O ATOM 0 H GLY A 43 -11.008 -4.034 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.603 -5.870 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.181 -6.357 -4.112 1.00 0.00 H new ATOM 570 N GLY A 44 -10.359 -7.846 -5.382 1.00 0.00 N ATOM 571 CA GLY A 44 -9.733 -8.625 -6.434 1.00 0.00 C ATOM 572 C GLY A 44 -9.963 -10.114 -6.267 1.00 0.00 C ATOM 573 O GLY A 44 -10.995 -10.536 -5.742 1.00 0.00 O ATOM 0 H GLY A 44 -10.576 -8.368 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.124 -8.306 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.662 -8.424 -6.442 1.00 0.00 H new ATOM 577 N LEU A 45 -9.001 -10.914 -6.715 1.00 0.00 N ATOM 578 CA LEU A 45 -9.104 -12.365 -6.615 1.00 0.00 C ATOM 579 C LEU A 45 -7.804 -12.968 -6.092 1.00 0.00 C ATOM 580 O LEU A 45 -6.713 -12.530 -6.458 1.00 0.00 O ATOM 581 CB LEU A 45 -9.447 -12.968 -7.978 1.00 0.00 C ATOM 582 CG LEU A 45 -10.782 -12.536 -8.586 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.740 -12.647 -10.102 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.921 -13.373 -8.020 1.00 0.00 C ATOM 0 H LEU A 45 -8.141 -10.582 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.902 -12.600 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.652 -12.710 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.448 -14.054 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.958 -11.493 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.699 -12.335 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.950 -12.005 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.541 -13.680 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.864 -13.052 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.750 -14.424 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.966 -13.243 -6.939 1.00 0.00 H new ATOM 596 N VAL A 46 -7.928 -13.978 -5.236 1.00 0.00 N ATOM 597 CA VAL A 46 -6.763 -14.644 -4.666 1.00 0.00 C ATOM 598 C VAL A 46 -5.872 -15.224 -5.759 1.00 0.00 C ATOM 599 O VAL A 46 -6.353 -15.867 -6.690 1.00 0.00 O ATOM 600 CB VAL A 46 -7.177 -15.773 -3.703 1.00 0.00 C ATOM 601 CG1 VAL A 46 -5.949 -16.458 -3.125 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.065 -15.228 -2.595 1.00 0.00 C ATOM 0 H VAL A 46 -8.823 -14.353 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.207 -13.889 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.747 -16.514 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.261 -17.253 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.355 -16.883 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.349 -15.730 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.348 -16.039 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.522 -14.466 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.962 -14.788 -3.031 1.00 0.00 H new ATOM 612 N GLY A 47 -4.568 -14.992 -5.637 1.00 0.00 N ATOM 613 CA GLY A 47 -3.629 -15.498 -6.621 1.00 0.00 C ATOM 614 C GLY A 47 -3.515 -14.594 -7.832 1.00 0.00 C ATOM 615 O GLY A 47 -2.484 -14.572 -8.505 1.00 0.00 O ATOM 0 H GLY A 47 -4.146 -14.463 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.648 -15.607 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.943 -16.491 -6.941 1.00 0.00 H new ATOM 619 N LYS A 48 -4.577 -13.847 -8.113 1.00 0.00 N ATOM 620 CA LYS A 48 -4.593 -12.936 -9.252 1.00 0.00 C ATOM 621 C LYS A 48 -4.165 -11.534 -8.833 1.00 0.00 C ATOM 622 O LYS A 48 -4.481 -11.063 -7.740 1.00 0.00 O ATOM 623 CB LYS A 48 -5.990 -12.890 -9.874 1.00 0.00 C ATOM 624 CG LYS A 48 -6.203 -13.922 -10.968 1.00 0.00 C ATOM 625 CD LYS A 48 -7.300 -13.497 -11.930 1.00 0.00 C ATOM 626 CE LYS A 48 -7.168 -14.201 -13.272 1.00 0.00 C ATOM 627 NZ LYS A 48 -6.264 -13.464 -14.199 1.00 0.00 N ATOM 0 H LYS A 48 -5.439 -13.854 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.884 -13.307 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.732 -13.044 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.163 -11.896 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.273 -14.069 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.463 -14.881 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.274 -13.721 -11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.258 -12.418 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.785 -15.210 -13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.153 -14.301 -13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.201 -13.976 -15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.642 -12.510 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.317 -13.391 -13.775 1.00 0.00 H new ATOM 641 N PRO A 49 -3.430 -10.848 -9.722 1.00 0.00 N ATOM 642 CA PRO A 49 -2.945 -9.489 -9.467 1.00 0.00 C ATOM 643 C PRO A 49 -4.073 -8.463 -9.461 1.00 0.00 C ATOM 644 O PRO A 49 -5.135 -8.691 -10.037 1.00 0.00 O ATOM 645 CB PRO A 49 -1.991 -9.228 -10.635 1.00 0.00 C ATOM 646 CG PRO A 49 -2.472 -10.123 -11.724 1.00 0.00 C ATOM 647 CD PRO A 49 -3.016 -11.348 -11.044 1.00 0.00 C ATOM 0 HA PRO A 49 -2.475 -9.401 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.017 -8.182 -10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.960 -9.455 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.242 -9.633 -12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.660 -10.382 -12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.856 -11.774 -11.594 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.261 -12.130 -10.960 1.00 0.00 H new ATOM 655 N ALA A 50 -3.833 -7.331 -8.806 1.00 0.00 N ATOM 656 CA ALA A 50 -4.828 -6.269 -8.727 1.00 0.00 C ATOM 657 C ALA A 50 -4.166 -4.909 -8.533 1.00 0.00 C ATOM 658 O ALA A 50 -3.388 -4.716 -7.599 1.00 0.00 O ATOM 659 CB ALA A 50 -5.809 -6.546 -7.597 1.00 0.00 C ATOM 0 H ALA A 50 -2.958 -7.126 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.374 -6.247 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.546 -5.744 -7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.315 -7.494 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.269 -6.598 -6.651 1.00 0.00 H new ATOM 665 N GLU A 51 -4.479 -3.971 -9.422 1.00 0.00 N ATOM 666 CA GLU A 51 -3.911 -2.630 -9.348 1.00 0.00 C ATOM 667 C GLU A 51 -4.981 -1.572 -9.601 1.00 0.00 C ATOM 668 O GLU A 51 -6.075 -1.880 -10.074 1.00 0.00 O ATOM 669 CB GLU A 51 -2.776 -2.476 -10.362 1.00 0.00 C ATOM 670 CG GLU A 51 -3.014 -3.227 -11.661 1.00 0.00 C ATOM 671 CD GLU A 51 -2.003 -2.872 -12.734 1.00 0.00 C ATOM 672 OE1 GLU A 51 -2.257 -1.916 -13.497 1.00 0.00 O ATOM 673 OE2 GLU A 51 -0.957 -3.551 -12.810 1.00 0.00 O ATOM 0 H GLU A 51 -5.122 -4.115 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.513 -2.487 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.640 -1.418 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.848 -2.830 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.973 -4.299 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.017 -3.006 -12.025 1.00 0.00 H new ATOM 680 N PHE A 52 -4.657 -0.323 -9.282 1.00 0.00 N ATOM 681 CA PHE A 52 -5.590 0.781 -9.472 1.00 0.00 C ATOM 682 C PHE A 52 -4.871 2.014 -10.013 1.00 0.00 C ATOM 683 O PHE A 52 -3.650 2.015 -10.173 1.00 0.00 O ATOM 684 CB PHE A 52 -6.287 1.121 -8.153 1.00 0.00 C ATOM 685 CG PHE A 52 -5.342 1.262 -6.995 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.729 0.148 -6.444 1.00 0.00 C ATOM 687 CD2 PHE A 52 -5.066 2.509 -6.456 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.859 0.274 -5.378 1.00 0.00 C ATOM 689 CE2 PHE A 52 -4.196 2.641 -5.390 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.593 1.522 -4.850 1.00 0.00 C ATOM 0 H PHE A 52 -3.755 -0.050 -8.891 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.339 0.470 -10.201 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.842 2.051 -8.274 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.015 0.343 -7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.934 -0.830 -6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.536 3.387 -6.874 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.388 -0.602 -4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.988 3.618 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.914 1.623 -4.016 1.00 0.00 H new ATOM 700 N THR A 53 -5.637 3.063 -10.294 1.00 0.00 N ATOM 701 CA THR A 53 -5.075 4.301 -10.818 1.00 0.00 C ATOM 702 C THR A 53 -5.033 5.383 -9.745 1.00 0.00 C ATOM 703 O THR A 53 -6.054 5.712 -9.141 1.00 0.00 O ATOM 704 CB THR A 53 -5.884 4.820 -12.022 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.154 3.746 -12.930 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.128 5.924 -12.746 1.00 0.00 C ATOM 0 H THR A 53 -6.649 3.080 -10.167 1.00 0.00 H new ATOM 0 HA THR A 53 -4.059 4.074 -11.142 1.00 0.00 H new ATOM 0 HB THR A 53 -6.825 5.228 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.670 4.084 -13.692 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.719 6.275 -13.592 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.949 6.752 -12.060 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.174 5.537 -13.105 1.00 0.00 H new ATOM 714 N ILE A 54 -3.846 5.934 -9.514 1.00 0.00 N ATOM 715 CA ILE A 54 -3.672 6.981 -8.514 1.00 0.00 C ATOM 716 C ILE A 54 -3.394 8.328 -9.172 1.00 0.00 C ATOM 717 O ILE A 54 -2.572 8.428 -10.084 1.00 0.00 O ATOM 718 CB ILE A 54 -2.522 6.649 -7.545 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.758 5.288 -6.887 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.387 7.737 -6.491 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.592 4.811 -6.050 1.00 0.00 C ATOM 0 H ILE A 54 -2.991 5.673 -10.005 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.604 7.039 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.592 6.602 -8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.646 5.347 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.965 4.550 -7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.570 7.488 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.178 8.690 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.316 7.814 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.830 3.840 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.706 4.720 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.399 5.529 -5.253 1.00 0.00 H new ATOM 733 N ASP A 55 -4.083 9.363 -8.703 1.00 0.00 N ATOM 734 CA ASP A 55 -3.908 10.706 -9.244 1.00 0.00 C ATOM 735 C ASP A 55 -2.985 11.533 -8.355 1.00 0.00 C ATOM 736 O ASP A 55 -3.392 12.018 -7.299 1.00 0.00 O ATOM 737 CB ASP A 55 -5.263 11.403 -9.383 1.00 0.00 C ATOM 738 CG ASP A 55 -5.183 12.662 -10.223 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.332 13.525 -9.920 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.970 12.784 -11.184 1.00 0.00 O ATOM 0 H ASP A 55 -4.768 9.298 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.451 10.618 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.978 10.714 -9.833 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.642 11.654 -8.392 1.00 0.00 H new ATOM 745 N THR A 56 -1.739 11.691 -8.790 1.00 0.00 N ATOM 746 CA THR A 56 -0.757 12.458 -8.033 1.00 0.00 C ATOM 747 C THR A 56 0.005 13.420 -8.937 1.00 0.00 C ATOM 748 O THR A 56 1.112 13.849 -8.613 1.00 0.00 O ATOM 749 CB THR A 56 0.250 11.534 -7.321 1.00 0.00 C ATOM 750 OG1 THR A 56 0.478 10.360 -8.108 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.260 11.137 -5.944 1.00 0.00 C ATOM 0 H THR A 56 -1.386 11.298 -9.663 1.00 0.00 H new ATOM 0 HA THR A 56 -1.309 13.027 -7.285 1.00 0.00 H new ATOM 0 HB THR A 56 1.187 12.078 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.120 9.779 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.467 10.485 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.405 12.031 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.209 10.610 -6.045 1.00 0.00 H new ATOM 759 N LYS A 57 -0.595 13.756 -10.074 1.00 0.00 N ATOM 760 CA LYS A 57 0.026 14.670 -11.026 1.00 0.00 C ATOM 761 C LYS A 57 -0.140 16.118 -10.577 1.00 0.00 C ATOM 762 O LYS A 57 0.713 16.963 -10.847 1.00 0.00 O ATOM 763 CB LYS A 57 -0.586 14.483 -12.417 1.00 0.00 C ATOM 764 CG LYS A 57 -2.068 14.810 -12.479 1.00 0.00 C ATOM 765 CD LYS A 57 -2.772 14.004 -13.558 1.00 0.00 C ATOM 766 CE LYS A 57 -2.078 14.150 -14.904 1.00 0.00 C ATOM 767 NZ LYS A 57 -2.425 15.436 -15.570 1.00 0.00 N ATOM 0 H LYS A 57 -1.511 13.409 -10.359 1.00 0.00 H new ATOM 0 HA LYS A 57 1.091 14.441 -11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.053 15.115 -13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.437 13.451 -12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.528 14.605 -11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.199 15.874 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.795 12.953 -13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.807 14.334 -13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.999 14.093 -14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.360 13.319 -15.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.932 15.498 -16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.452 15.480 -15.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.133 16.230 -14.965 1.00 0.00 H new ATOM 781 N GLY A 58 -1.243 16.397 -9.889 1.00 0.00 N ATOM 782 CA GLY A 58 -1.498 17.744 -9.413 1.00 0.00 C ATOM 783 C GLY A 58 -1.353 17.865 -7.909 1.00 0.00 C ATOM 784 O GLY A 58 -1.837 18.822 -7.306 1.00 0.00 O ATOM 0 H GLY A 58 -1.964 15.715 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.808 18.434 -9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.505 18.044 -9.703 1.00 0.00 H new ATOM 788 N ALA A 59 -0.685 16.890 -7.300 1.00 0.00 N ATOM 789 CA ALA A 59 -0.477 16.891 -5.858 1.00 0.00 C ATOM 790 C ALA A 59 0.871 17.506 -5.498 1.00 0.00 C ATOM 791 O ALA A 59 0.952 18.401 -4.658 1.00 0.00 O ATOM 792 CB ALA A 59 -0.577 15.475 -5.309 1.00 0.00 C ATOM 0 H ALA A 59 -0.279 16.089 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.258 17.501 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.419 15.491 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.565 15.070 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.182 14.849 -5.777 1.00 0.00 H new ATOM 798 N GLY A 60 1.929 17.018 -6.139 1.00 0.00 N ATOM 799 CA GLY A 60 3.260 17.531 -5.872 1.00 0.00 C ATOM 800 C GLY A 60 4.297 16.430 -5.774 1.00 0.00 C ATOM 801 O GLY A 60 4.141 15.364 -6.371 1.00 0.00 O ATOM 0 H GLY A 60 1.888 16.277 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.544 18.224 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.248 18.098 -4.941 1.00 0.00 H new ATOM 805 N THR A 61 5.361 16.687 -5.020 1.00 0.00 N ATOM 806 CA THR A 61 6.429 15.710 -4.847 1.00 0.00 C ATOM 807 C THR A 61 6.683 15.427 -3.371 1.00 0.00 C ATOM 808 O THR A 61 6.668 16.337 -2.543 1.00 0.00 O ATOM 809 CB THR A 61 7.740 16.191 -5.498 1.00 0.00 C ATOM 810 OG1 THR A 61 7.492 16.616 -6.843 1.00 0.00 O ATOM 811 CG2 THR A 61 8.784 15.084 -5.495 1.00 0.00 C ATOM 0 H THR A 61 5.506 17.564 -4.519 1.00 0.00 H new ATOM 0 HA THR A 61 6.101 14.794 -5.338 1.00 0.00 H new ATOM 0 HB THR A 61 8.122 17.030 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.330 16.922 -7.249 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.701 15.447 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.992 14.783 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.408 14.228 -6.055 1.00 0.00 H new ATOM 819 N GLY A 62 6.916 14.158 -3.048 1.00 0.00 N ATOM 820 CA GLY A 62 7.169 13.778 -1.671 1.00 0.00 C ATOM 821 C GLY A 62 7.341 12.281 -1.505 1.00 0.00 C ATOM 822 O GLY A 62 7.791 11.595 -2.422 1.00 0.00 O ATOM 0 H GLY A 62 6.934 13.387 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.066 14.285 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.343 14.117 -1.046 1.00 0.00 H new ATOM 826 N GLY A 63 6.983 11.773 -0.329 1.00 0.00 N ATOM 827 CA GLY A 63 7.110 10.351 -0.067 1.00 0.00 C ATOM 828 C GLY A 63 5.785 9.708 0.294 1.00 0.00 C ATOM 829 O GLY A 63 5.245 9.946 1.375 1.00 0.00 O ATOM 0 H GLY A 63 6.608 12.320 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.522 9.858 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.819 10.196 0.746 1.00 0.00 H new ATOM 833 N LEU A 64 5.259 8.893 -0.613 1.00 0.00 N ATOM 834 CA LEU A 64 3.987 8.214 -0.385 1.00 0.00 C ATOM 835 C LEU A 64 4.206 6.850 0.262 1.00 0.00 C ATOM 836 O LEU A 64 5.020 6.054 -0.205 1.00 0.00 O ATOM 837 CB LEU A 64 3.231 8.051 -1.705 1.00 0.00 C ATOM 838 CG LEU A 64 1.843 7.416 -1.609 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.793 8.473 -1.306 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.504 6.678 -2.896 1.00 0.00 C ATOM 0 H LEU A 64 5.692 8.686 -1.513 1.00 0.00 H new ATOM 0 HA LEU A 64 3.393 8.825 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.128 9.034 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.840 7.446 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 64 1.850 6.695 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.188 8.003 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.027 8.957 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.787 9.218 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.513 6.232 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.515 7.379 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.240 5.894 -3.070 1.00 0.00 H new ATOM 852 N GLY A 65 3.471 6.587 1.338 1.00 0.00 N ATOM 853 CA GLY A 65 3.598 5.318 2.030 1.00 0.00 C ATOM 854 C GLY A 65 2.422 4.397 1.772 1.00 0.00 C ATOM 855 O GLY A 65 1.277 4.741 2.069 1.00 0.00 O ATOM 0 H GLY A 65 2.790 7.230 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.517 4.826 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.686 5.499 3.101 1.00 0.00 H new ATOM 859 N LEU A 66 2.703 3.223 1.216 1.00 0.00 N ATOM 860 CA LEU A 66 1.659 2.250 0.916 1.00 0.00 C ATOM 861 C LEU A 66 1.874 0.961 1.703 1.00 0.00 C ATOM 862 O LEU A 66 2.853 0.245 1.490 1.00 0.00 O ATOM 863 CB LEU A 66 1.632 1.947 -0.583 1.00 0.00 C ATOM 864 CG LEU A 66 0.281 1.516 -1.157 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.709 2.670 -1.114 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.445 1.004 -2.580 1.00 0.00 C ATOM 0 H LEU A 66 3.645 2.923 0.964 1.00 0.00 H new ATOM 0 HA LEU A 66 0.701 2.679 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.965 2.836 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.359 1.161 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.111 0.705 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.664 2.345 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.849 2.991 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.324 3.502 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.526 0.702 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.859 1.795 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.120 0.148 -2.583 1.00 0.00 H new ATOM 878 N THR A 67 0.950 0.668 2.614 1.00 0.00 N ATOM 879 CA THR A 67 1.038 -0.535 3.432 1.00 0.00 C ATOM 880 C THR A 67 -0.289 -1.286 3.449 1.00 0.00 C ATOM 881 O THR A 67 -1.332 -0.718 3.772 1.00 0.00 O ATOM 882 CB THR A 67 1.443 -0.201 4.880 1.00 0.00 C ATOM 883 OG1 THR A 67 0.628 0.863 5.385 1.00 0.00 O ATOM 884 CG2 THR A 67 2.909 0.199 4.953 1.00 0.00 C ATOM 0 H THR A 67 0.132 1.248 2.803 1.00 0.00 H new ATOM 0 HA THR A 67 1.805 -1.167 2.984 1.00 0.00 H new ATOM 0 HB THR A 67 1.294 -1.092 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.891 1.068 6.307 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.172 0.430 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.529 -0.624 4.596 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.078 1.077 4.330 1.00 0.00 H new ATOM 892 N VAL A 68 -0.242 -2.567 3.098 1.00 0.00 N ATOM 893 CA VAL A 68 -1.440 -3.398 3.075 1.00 0.00 C ATOM 894 C VAL A 68 -1.729 -3.986 4.451 1.00 0.00 C ATOM 895 O VAL A 68 -0.975 -4.821 4.950 1.00 0.00 O ATOM 896 CB VAL A 68 -1.308 -4.545 2.056 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.515 -5.468 2.131 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.136 -3.992 0.649 1.00 0.00 C ATOM 0 H VAL A 68 0.613 -3.052 2.826 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.267 -2.752 2.779 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.420 -5.126 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.404 -6.272 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.587 -5.892 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.420 -4.902 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.044 -4.817 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.003 -3.385 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.237 -3.377 0.607 1.00 0.00 H new ATOM 908 N GLU A 69 -2.825 -3.544 5.060 1.00 0.00 N ATOM 909 CA GLU A 69 -3.212 -4.027 6.380 1.00 0.00 C ATOM 910 C GLU A 69 -4.275 -5.116 6.270 1.00 0.00 C ATOM 911 O GLU A 69 -5.449 -4.885 6.558 1.00 0.00 O ATOM 912 CB GLU A 69 -3.737 -2.872 7.236 1.00 0.00 C ATOM 913 CG GLU A 69 -2.640 -1.976 7.788 1.00 0.00 C ATOM 914 CD GLU A 69 -1.708 -2.710 8.732 1.00 0.00 C ATOM 915 OE1 GLU A 69 -0.800 -3.414 8.241 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.886 -2.581 9.961 1.00 0.00 O ATOM 0 H GLU A 69 -3.460 -2.853 4.661 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.329 -4.452 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.420 -2.269 6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.314 -3.279 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.062 -1.563 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.093 -1.134 8.312 1.00 0.00 H new ATOM 923 N GLY A 70 -3.854 -6.305 5.850 1.00 0.00 N ATOM 924 CA GLY A 70 -4.781 -7.413 5.709 1.00 0.00 C ATOM 925 C GLY A 70 -4.489 -8.541 6.678 1.00 0.00 C ATOM 926 O GLY A 70 -3.697 -8.398 7.610 1.00 0.00 O ATOM 0 H GLY A 70 -2.888 -6.521 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.798 -7.054 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.735 -7.794 4.689 1.00 0.00 H new ATOM 930 N PRO A 71 -5.138 -9.695 6.463 1.00 0.00 N ATOM 931 CA PRO A 71 -4.961 -10.874 7.315 1.00 0.00 C ATOM 932 C PRO A 71 -3.583 -11.506 7.150 1.00 0.00 C ATOM 933 O PRO A 71 -3.153 -12.306 7.982 1.00 0.00 O ATOM 934 CB PRO A 71 -6.050 -11.832 6.826 1.00 0.00 C ATOM 935 CG PRO A 71 -6.309 -11.424 5.417 1.00 0.00 C ATOM 936 CD PRO A 71 -6.096 -9.937 5.371 1.00 0.00 C ATOM 0 HA PRO A 71 -5.036 -10.627 8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.720 -12.869 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.951 -11.750 7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.634 -11.936 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.324 -11.682 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.697 -9.618 4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.028 -9.393 5.526 1.00 0.00 H new ATOM 944 N CYS A 72 -2.895 -11.142 6.073 1.00 0.00 N ATOM 945 CA CYS A 72 -1.565 -11.675 5.799 1.00 0.00 C ATOM 946 C CYS A 72 -0.763 -10.712 4.929 1.00 0.00 C ATOM 947 O CYS A 72 -1.329 -9.861 4.245 1.00 0.00 O ATOM 948 CB CYS A 72 -1.670 -13.036 5.111 1.00 0.00 C ATOM 949 SG CYS A 72 -0.081 -13.867 4.872 1.00 0.00 S ATOM 0 H CYS A 72 -3.236 -10.480 5.376 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.046 -11.796 6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.320 -13.681 5.702 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.149 -12.905 4.141 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.137 -14.614 3.809 1.00 0.00 H new ATOM 955 N GLU A 73 0.559 -10.853 4.964 1.00 0.00 N ATOM 956 CA GLU A 73 1.438 -9.993 4.181 1.00 0.00 C ATOM 957 C GLU A 73 1.336 -10.321 2.694 1.00 0.00 C ATOM 958 O GLU A 73 1.752 -11.392 2.253 1.00 0.00 O ATOM 959 CB GLU A 73 2.887 -10.146 4.649 1.00 0.00 C ATOM 960 CG GLU A 73 3.735 -8.907 4.418 1.00 0.00 C ATOM 961 CD GLU A 73 4.916 -8.822 5.366 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.797 -9.704 5.298 1.00 0.00 O ATOM 963 OE2 GLU A 73 4.958 -7.873 6.176 1.00 0.00 O ATOM 0 H GLU A 73 1.043 -11.553 5.525 1.00 0.00 H new ATOM 0 HA GLU A 73 1.122 -8.961 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.893 -10.387 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.341 -10.989 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.098 -8.907 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.114 -8.019 4.537 1.00 0.00 H new ATOM 970 N ALA A 74 0.778 -9.390 1.926 1.00 0.00 N ATOM 971 CA ALA A 74 0.622 -9.579 0.489 1.00 0.00 C ATOM 972 C ALA A 74 1.629 -8.737 -0.288 1.00 0.00 C ATOM 973 O ALA A 74 1.890 -7.585 0.060 1.00 0.00 O ATOM 974 CB ALA A 74 -0.797 -9.234 0.063 1.00 0.00 C ATOM 0 H ALA A 74 0.427 -8.498 2.275 1.00 0.00 H new ATOM 0 HA ALA A 74 0.813 -10.628 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.900 -9.380 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.501 -9.881 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.008 -8.194 0.310 1.00 0.00 H new ATOM 980 N LYS A 75 2.193 -9.319 -1.340 1.00 0.00 N ATOM 981 CA LYS A 75 3.171 -8.623 -2.168 1.00 0.00 C ATOM 982 C LYS A 75 2.590 -7.326 -2.722 1.00 0.00 C ATOM 983 O LYS A 75 1.414 -7.265 -3.081 1.00 0.00 O ATOM 984 CB LYS A 75 3.628 -9.522 -3.319 1.00 0.00 C ATOM 985 CG LYS A 75 4.991 -9.149 -3.877 1.00 0.00 C ATOM 986 CD LYS A 75 6.115 -9.760 -3.059 1.00 0.00 C ATOM 987 CE LYS A 75 7.470 -9.525 -3.710 1.00 0.00 C ATOM 988 NZ LYS A 75 7.674 -10.400 -4.897 1.00 0.00 N ATOM 0 H LYS A 75 1.990 -10.272 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 75 4.030 -8.378 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.657 -10.555 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.891 -9.475 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.067 -9.487 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.096 -8.064 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.112 -9.331 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.945 -10.831 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.552 -8.480 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.260 -9.711 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.645 -10.284 -5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.520 -11.393 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.999 -10.136 -5.643 1.00 0.00 H new ATOM 1002 N ILE A 76 3.422 -6.292 -2.790 1.00 0.00 N ATOM 1003 CA ILE A 76 2.991 -4.998 -3.303 1.00 0.00 C ATOM 1004 C ILE A 76 3.998 -4.440 -4.304 1.00 0.00 C ATOM 1005 O ILE A 76 5.168 -4.246 -3.979 1.00 0.00 O ATOM 1006 CB ILE A 76 2.797 -3.978 -2.166 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.881 -4.555 -1.084 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.226 -2.677 -2.712 1.00 0.00 C ATOM 1009 CD1 ILE A 76 1.845 -3.727 0.181 1.00 0.00 C ATOM 0 H ILE A 76 4.398 -6.326 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 76 2.036 -5.159 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 76 3.768 -3.766 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.870 -4.639 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.212 -5.564 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.095 -1.966 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.912 -2.260 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.262 -2.872 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.176 -4.195 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.848 -3.664 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.485 -2.725 -0.050 1.00 0.00 H new ATOM 1021 N GLU A 77 3.532 -4.184 -5.523 1.00 0.00 N ATOM 1022 CA GLU A 77 4.392 -3.648 -6.571 1.00 0.00 C ATOM 1023 C GLU A 77 3.974 -2.228 -6.944 1.00 0.00 C ATOM 1024 O GLU A 77 3.005 -2.026 -7.676 1.00 0.00 O ATOM 1025 CB GLU A 77 4.345 -4.546 -7.809 1.00 0.00 C ATOM 1026 CG GLU A 77 5.181 -4.029 -8.968 1.00 0.00 C ATOM 1027 CD GLU A 77 6.644 -4.410 -8.847 1.00 0.00 C ATOM 1028 OE1 GLU A 77 6.958 -5.611 -8.977 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.475 -3.505 -8.622 1.00 0.00 O ATOM 0 H GLU A 77 2.565 -4.339 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 77 5.413 -3.620 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.692 -5.543 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.310 -4.647 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.783 -4.423 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.095 -2.944 -9.018 1.00 0.00 H new ATOM 1036 N CYS A 78 4.713 -1.248 -6.434 1.00 0.00 N ATOM 1037 CA CYS A 78 4.420 0.154 -6.712 1.00 0.00 C ATOM 1038 C CYS A 78 5.135 0.619 -7.976 1.00 0.00 C ATOM 1039 O CYS A 78 6.269 1.094 -7.921 1.00 0.00 O ATOM 1040 CB CYS A 78 4.833 1.027 -5.526 1.00 0.00 C ATOM 1041 SG CYS A 78 6.580 0.888 -5.082 1.00 0.00 S ATOM 0 H CYS A 78 5.518 -1.398 -5.827 1.00 0.00 H new ATOM 0 HA CYS A 78 3.346 0.251 -6.869 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.610 2.068 -5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.227 0.757 -4.661 1.00 0.00 H new ATOM 0 HG CYS A 78 7.299 0.826 -6.163 1.00 0.00 H new ATOM 1047 N SER A 79 4.464 0.478 -9.115 1.00 0.00 N ATOM 1048 CA SER A 79 5.038 0.878 -10.394 1.00 0.00 C ATOM 1049 C SER A 79 4.652 2.314 -10.737 1.00 0.00 C ATOM 1050 O SER A 79 3.577 2.785 -10.366 1.00 0.00 O ATOM 1051 CB SER A 79 4.571 -0.066 -11.504 1.00 0.00 C ATOM 1052 OG SER A 79 3.306 -0.626 -11.198 1.00 0.00 O ATOM 0 H SER A 79 3.523 0.090 -9.178 1.00 0.00 H new ATOM 0 HA SER A 79 6.123 0.821 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.513 0.477 -12.447 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.302 -0.863 -11.639 1.00 0.00 H new ATOM 0 HG SER A 79 2.689 0.087 -10.930 1.00 0.00 H new ATOM 1058 N ASP A 80 5.538 3.004 -11.446 1.00 0.00 N ATOM 1059 CA ASP A 80 5.292 4.387 -11.840 1.00 0.00 C ATOM 1060 C ASP A 80 5.026 4.485 -13.339 1.00 0.00 C ATOM 1061 O ASP A 80 5.524 3.677 -14.122 1.00 0.00 O ATOM 1062 CB ASP A 80 6.484 5.267 -11.462 1.00 0.00 C ATOM 1063 CG ASP A 80 6.606 5.464 -9.964 1.00 0.00 C ATOM 1064 OD1 ASP A 80 6.750 4.455 -9.243 1.00 0.00 O ATOM 1065 OD2 ASP A 80 6.556 6.628 -9.512 1.00 0.00 O ATOM 0 H ASP A 80 6.433 2.629 -11.760 1.00 0.00 H new ATOM 0 HA ASP A 80 4.408 4.739 -11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.400 4.815 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.383 6.238 -11.946 1.00 0.00 H new ATOM 1070 N ASN A 81 4.237 5.480 -13.731 1.00 0.00 N ATOM 1071 CA ASN A 81 3.904 5.684 -15.136 1.00 0.00 C ATOM 1072 C ASN A 81 4.875 6.662 -15.790 1.00 0.00 C ATOM 1073 O ASN A 81 5.349 6.434 -16.902 1.00 0.00 O ATOM 1074 CB ASN A 81 2.471 6.202 -15.272 1.00 0.00 C ATOM 1075 CG ASN A 81 1.439 5.155 -14.900 1.00 0.00 C ATOM 1076 OD1 ASN A 81 0.800 4.561 -15.768 1.00 0.00 O ATOM 1077 ND2 ASN A 81 1.272 4.924 -13.603 1.00 0.00 N ATOM 0 H ASN A 81 3.816 6.158 -13.095 1.00 0.00 H new ATOM 0 HA ASN A 81 3.986 4.724 -15.646 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.342 7.077 -14.635 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.301 6.527 -16.298 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.592 4.230 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.824 5.440 -12.918 1.00 0.00 H new ATOM 1084 N GLY A 82 5.167 7.754 -15.089 1.00 0.00 N ATOM 1085 CA GLY A 82 6.081 8.751 -15.616 1.00 0.00 C ATOM 1086 C GLY A 82 5.366 10.007 -16.074 1.00 0.00 C ATOM 1087 O GLY A 82 5.989 11.055 -16.250 1.00 0.00 O ATOM 0 H GLY A 82 4.787 7.966 -14.166 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.811 9.011 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.635 8.326 -16.453 1.00 0.00 H new ATOM 1091 N ASP A 83 4.056 9.903 -16.269 1.00 0.00 N ATOM 1092 CA ASP A 83 3.256 11.040 -16.710 1.00 0.00 C ATOM 1093 C ASP A 83 2.633 11.760 -15.518 1.00 0.00 C ATOM 1094 O ASP A 83 2.088 12.855 -15.657 1.00 0.00 O ATOM 1095 CB ASP A 83 2.161 10.578 -17.672 1.00 0.00 C ATOM 1096 CG ASP A 83 2.657 9.537 -18.657 1.00 0.00 C ATOM 1097 OD1 ASP A 83 3.626 9.828 -19.390 1.00 0.00 O ATOM 1098 OD2 ASP A 83 2.078 8.432 -18.693 1.00 0.00 O ATOM 0 H ASP A 83 3.526 9.043 -16.129 1.00 0.00 H new ATOM 0 HA ASP A 83 3.914 11.737 -17.229 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.329 10.166 -17.100 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.776 11.438 -18.220 1.00 0.00 H new ATOM 1103 N GLY A 84 2.716 11.137 -14.346 1.00 0.00 N ATOM 1104 CA GLY A 84 2.154 11.733 -13.148 1.00 0.00 C ATOM 1105 C GLY A 84 1.165 10.818 -12.455 1.00 0.00 C ATOM 1106 O GLY A 84 0.406 11.253 -11.587 1.00 0.00 O ATOM 0 H GLY A 84 3.162 10.231 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.960 11.982 -12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.658 12.668 -13.409 1.00 0.00 H new ATOM 1110 N THR A 85 1.170 9.544 -12.837 1.00 0.00 N ATOM 1111 CA THR A 85 0.264 8.566 -12.249 1.00 0.00 C ATOM 1112 C THR A 85 1.025 7.344 -11.747 1.00 0.00 C ATOM 1113 O THR A 85 2.184 7.132 -12.108 1.00 0.00 O ATOM 1114 CB THR A 85 -0.805 8.111 -13.260 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.177 7.541 -14.414 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.685 9.279 -13.680 1.00 0.00 C ATOM 0 H THR A 85 1.792 9.166 -13.551 1.00 0.00 H new ATOM 0 HA THR A 85 -0.227 9.056 -11.408 1.00 0.00 H new ATOM 0 HB THR A 85 -1.431 7.359 -12.779 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.864 7.253 -15.051 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.432 8.933 -14.394 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.184 9.692 -12.804 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.070 10.050 -14.144 1.00 0.00 H new ATOM 1124 N CYS A 86 0.368 6.544 -10.915 1.00 0.00 N ATOM 1125 CA CYS A 86 0.984 5.342 -10.364 1.00 0.00 C ATOM 1126 C CYS A 86 0.001 4.176 -10.368 1.00 0.00 C ATOM 1127 O CYS A 86 -1.206 4.368 -10.217 1.00 0.00 O ATOM 1128 CB CYS A 86 1.477 5.604 -8.940 1.00 0.00 C ATOM 1129 SG CYS A 86 2.911 6.701 -8.845 1.00 0.00 S ATOM 0 H CYS A 86 -0.591 6.706 -10.607 1.00 0.00 H new ATOM 0 HA CYS A 86 1.834 5.078 -10.993 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.663 6.037 -8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.730 4.652 -8.474 1.00 0.00 H new ATOM 0 HG CYS A 86 3.131 7.229 -10.012 1.00 0.00 H new ATOM 1135 N SER A 87 0.525 2.968 -10.544 1.00 0.00 N ATOM 1136 CA SER A 87 -0.307 1.771 -10.574 1.00 0.00 C ATOM 1137 C SER A 87 0.273 0.683 -9.675 1.00 0.00 C ATOM 1138 O SER A 87 1.106 -0.115 -10.105 1.00 0.00 O ATOM 1139 CB SER A 87 -0.435 1.249 -12.007 1.00 0.00 C ATOM 1140 OG SER A 87 -1.226 0.074 -12.052 1.00 0.00 O ATOM 0 H SER A 87 1.522 2.792 -10.668 1.00 0.00 H new ATOM 0 HA SER A 87 -1.296 2.037 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.882 2.017 -12.639 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.555 1.040 -12.411 1.00 0.00 H new ATOM 0 HG SER A 87 -1.319 -0.222 -12.982 1.00 0.00 H new ATOM 1146 N VAL A 88 -0.174 0.658 -8.423 1.00 0.00 N ATOM 1147 CA VAL A 88 0.299 -0.331 -7.462 1.00 0.00 C ATOM 1148 C VAL A 88 -0.442 -1.653 -7.625 1.00 0.00 C ATOM 1149 O VAL A 88 -1.659 -1.721 -7.446 1.00 0.00 O ATOM 1150 CB VAL A 88 0.128 0.167 -6.015 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.685 -0.851 -5.031 1.00 0.00 C ATOM 1152 CG2 VAL A 88 0.799 1.519 -5.834 1.00 0.00 C ATOM 0 H VAL A 88 -0.863 1.312 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 88 1.359 -0.486 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.937 0.287 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.556 -0.482 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.153 -1.796 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.746 -1.005 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.668 1.855 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.863 1.430 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.348 2.243 -6.513 1.00 0.00 H new ATOM 1162 N SER A 89 0.298 -2.703 -7.965 1.00 0.00 N ATOM 1163 CA SER A 89 -0.289 -4.024 -8.155 1.00 0.00 C ATOM 1164 C SER A 89 0.068 -4.949 -6.996 1.00 0.00 C ATOM 1165 O SER A 89 1.241 -5.116 -6.658 1.00 0.00 O ATOM 1166 CB SER A 89 0.189 -4.633 -9.474 1.00 0.00 C ATOM 1167 OG SER A 89 1.590 -4.484 -9.627 1.00 0.00 O ATOM 0 H SER A 89 1.306 -2.665 -8.115 1.00 0.00 H new ATOM 0 HA SER A 89 -1.373 -3.911 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.073 -5.691 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.324 -4.152 -10.307 1.00 0.00 H new ATOM 0 HG SER A 89 1.871 -4.883 -10.477 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.950 -5.549 -6.390 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.746 -6.456 -5.267 1.00 0.00 C ATOM 1175 C TYR A 90 -1.325 -7.835 -5.568 1.00 0.00 C ATOM 1176 O TYR A 90 -2.378 -7.956 -6.195 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.386 -5.886 -4.001 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.898 -5.915 -4.021 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.597 -7.045 -3.614 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.627 -4.811 -4.447 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.978 -7.075 -3.632 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -5.009 -4.833 -4.467 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.679 -5.967 -4.059 1.00 0.00 C ATOM 1184 OH TYR A 90 -7.055 -5.993 -4.077 1.00 0.00 O ATOM 0 H TYR A 90 -1.926 -5.423 -6.658 1.00 0.00 H new ATOM 0 HA TYR A 90 0.327 -6.560 -5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.032 -6.451 -3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.052 -4.857 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.051 -7.914 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.105 -3.921 -4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.506 -7.962 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.561 -3.967 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.394 -5.133 -4.403 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.631 -8.873 -5.115 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.075 -10.245 -5.334 1.00 0.00 C ATOM 1196 C LEU A 91 -1.433 -10.918 -4.013 1.00 0.00 C ATOM 1197 O LEU A 91 -0.566 -11.322 -3.238 1.00 0.00 O ATOM 1198 CB LEU A 91 0.014 -11.047 -6.049 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.059 -11.063 -7.576 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.331 -11.214 -8.175 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.972 -12.183 -8.055 1.00 0.00 C ATOM 0 H LEU A 91 0.242 -8.791 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.967 -10.217 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.984 -10.646 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.027 -12.076 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.476 -10.113 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.259 -11.223 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.956 -10.378 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.775 -12.149 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.012 -12.179 -9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.584 -13.141 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.974 -12.032 -7.655 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.742 -11.045 -3.749 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.245 -11.672 -2.523 1.00 0.00 C ATOM 1215 C PRO A 92 -2.994 -13.176 -2.496 1.00 0.00 C ATOM 1216 O PRO A 92 -2.758 -13.796 -3.533 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.748 -11.381 -2.567 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.057 -11.205 -4.013 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.832 -10.587 -4.627 1.00 0.00 C ATOM 0 HA PRO A 92 -2.748 -11.285 -1.634 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.323 -12.201 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.995 -10.485 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.288 -12.162 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.928 -10.564 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.687 -10.919 -5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.899 -9.499 -4.650 1.00 0.00 H new ATOM 1227 N THR A 93 -3.047 -13.758 -1.302 1.00 0.00 N ATOM 1228 CA THR A 93 -2.825 -15.190 -1.140 1.00 0.00 C ATOM 1229 C THR A 93 -4.025 -15.861 -0.482 1.00 0.00 C ATOM 1230 O THR A 93 -4.362 -17.002 -0.799 1.00 0.00 O ATOM 1231 CB THR A 93 -1.567 -15.471 -0.295 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.573 -16.830 0.155 1.00 0.00 O ATOM 1233 CG2 THR A 93 -1.499 -14.535 0.902 1.00 0.00 C ATOM 0 H THR A 93 -3.242 -13.260 -0.433 1.00 0.00 H new ATOM 0 HA THR A 93 -2.683 -15.603 -2.139 1.00 0.00 H new ATOM 0 HB THR A 93 -0.691 -15.300 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.770 -17.001 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.603 -14.752 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.465 -13.502 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.380 -14.679 1.527 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.667 -15.147 0.436 1.00 0.00 N ATOM 1242 CA LYS A 94 -5.832 -15.673 1.137 1.00 0.00 C ATOM 1243 C LYS A 94 -7.003 -14.698 1.055 1.00 0.00 C ATOM 1244 O LYS A 94 -6.832 -13.480 1.106 1.00 0.00 O ATOM 1245 CB LYS A 94 -5.488 -15.951 2.602 1.00 0.00 C ATOM 1246 CG LYS A 94 -4.197 -16.729 2.787 1.00 0.00 C ATOM 1247 CD LYS A 94 -3.852 -16.896 4.257 1.00 0.00 C ATOM 1248 CE LYS A 94 -2.985 -15.752 4.760 1.00 0.00 C ATOM 1249 NZ LYS A 94 -2.632 -15.914 6.197 1.00 0.00 N ATOM 0 H LYS A 94 -4.400 -14.202 0.712 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.125 -16.606 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.410 -15.003 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.306 -16.507 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.292 -17.710 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.384 -16.212 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.769 -16.944 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.330 -17.841 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.073 -15.699 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.512 -14.808 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.684 -15.521 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.327 -15.410 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.638 -16.924 6.444 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.221 -15.244 0.928 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.444 -14.440 0.838 1.00 0.00 C ATOM 1265 C PRO A 95 -9.783 -13.752 2.156 1.00 0.00 C ATOM 1266 O PRO A 95 -10.089 -14.410 3.150 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.519 -15.469 0.480 1.00 0.00 C ATOM 1268 CG PRO A 95 -9.995 -16.762 1.000 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.499 -16.689 0.861 1.00 0.00 C ATOM 0 HA PRO A 95 -9.349 -13.633 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.476 -15.217 0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.682 -15.513 -0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.283 -16.910 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.399 -17.602 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.994 -17.233 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.161 -17.120 -0.081 1.00 0.00 H new ATOM 1277 N GLY A 96 -9.726 -12.424 2.157 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.030 -11.669 3.359 1.00 0.00 C ATOM 1279 C GLY A 96 -10.273 -10.200 3.075 1.00 0.00 C ATOM 1280 O GLY A 96 -11.162 -9.851 2.299 1.00 0.00 O ATOM 0 H GLY A 96 -9.475 -11.857 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.912 -12.094 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.205 -11.768 4.065 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.483 -9.338 3.707 1.00 0.00 N ATOM 1285 CA GLU A 97 -9.620 -7.898 3.519 1.00 0.00 C ATOM 1286 C GLU A 97 -8.262 -7.206 3.609 1.00 0.00 C ATOM 1287 O GLU A 97 -7.545 -7.349 4.599 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.572 -7.314 4.564 1.00 0.00 C ATOM 1289 CG GLU A 97 -11.954 -7.944 4.548 1.00 0.00 C ATOM 1290 CD GLU A 97 -12.009 -9.250 5.317 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -11.143 -9.459 6.192 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -12.916 -10.063 5.043 1.00 0.00 O ATOM 0 H GLU A 97 -8.742 -9.611 4.353 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.032 -7.724 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.135 -7.443 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.669 -6.241 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.673 -7.245 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.256 -8.121 3.516 1.00 0.00 H new ATOM 1299 N TYR A 98 -7.917 -6.458 2.567 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.645 -5.747 2.526 1.00 0.00 C ATOM 1301 C TYR A 98 -6.866 -4.237 2.504 1.00 0.00 C ATOM 1302 O TYR A 98 -7.353 -3.683 1.518 1.00 0.00 O ATOM 1303 CB TYR A 98 -5.837 -6.173 1.298 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.635 -7.668 1.196 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.681 -8.507 0.830 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.399 -8.242 1.467 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.501 -9.873 0.736 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.210 -9.607 1.374 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.264 -10.419 1.008 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.080 -11.779 0.916 1.00 0.00 O ATOM 0 H TYR A 98 -8.500 -6.328 1.740 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.086 -6.002 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.344 -5.821 0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.863 -5.684 1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.651 -8.083 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.572 -7.610 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.325 -10.511 0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.242 -10.037 1.587 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.814 -12.240 1.374 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.502 -3.577 3.598 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.660 -2.131 3.707 1.00 0.00 C ATOM 1322 C PHE A 99 -5.409 -1.409 3.214 1.00 0.00 C ATOM 1323 O PHE A 99 -4.364 -1.440 3.863 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.953 -1.736 5.156 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.338 -2.100 5.608 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.607 -3.362 6.114 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.372 -1.181 5.527 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.880 -3.700 6.530 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.648 -1.513 5.942 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.902 -2.774 6.445 1.00 0.00 C ATOM 0 H PHE A 99 -6.096 -4.020 4.422 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.501 -1.834 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.227 -2.220 5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.814 -0.660 5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.812 -4.090 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.179 -0.193 5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.076 -4.687 6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.445 -0.788 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.898 -3.036 6.771 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.525 -0.760 2.060 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.405 -0.029 1.478 1.00 0.00 C ATOM 1342 C VAL A 100 -4.251 1.345 2.122 1.00 0.00 C ATOM 1343 O VAL A 100 -5.000 2.272 1.816 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.577 0.145 -0.042 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.365 0.843 -0.640 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.810 -1.202 -0.709 1.00 0.00 C ATOM 0 H VAL A 100 -6.383 -0.725 1.509 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.509 -0.619 1.669 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.452 0.770 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.505 0.957 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.249 1.826 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.472 0.247 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.929 -1.060 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.956 -1.853 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.711 -1.659 -0.301 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.275 1.468 3.016 1.00 0.00 N ATOM 1357 CA ASN A 101 -3.023 2.729 3.703 1.00 0.00 C ATOM 1358 C ASN A 101 -2.241 3.688 2.811 1.00 0.00 C ATOM 1359 O ASN A 101 -1.048 3.498 2.573 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.253 2.480 5.002 1.00 0.00 C ATOM 1361 CG ASN A 101 -3.034 1.628 5.983 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.650 2.142 6.917 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.012 0.316 5.776 1.00 0.00 N ATOM 0 H ASN A 101 -2.646 0.710 3.281 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.985 3.184 3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.307 1.990 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.012 3.436 5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.519 -0.308 6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.488 -0.067 4.989 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.922 4.719 2.321 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.291 5.709 1.457 1.00 0.00 C ATOM 1372 C ILE A 102 -2.048 7.016 2.204 1.00 0.00 C ATOM 1373 O ILE A 102 -2.985 7.760 2.496 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.148 5.995 0.210 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.440 4.696 -0.544 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.445 6.993 -0.698 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.373 4.877 -1.721 1.00 0.00 C ATOM 0 H ILE A 102 -3.910 4.890 2.508 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.335 5.290 1.143 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.095 6.428 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.500 4.272 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.876 3.974 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.063 7.185 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.283 7.925 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.485 6.585 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.535 3.915 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.327 5.272 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.930 5.574 -2.433 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.785 7.290 2.510 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.417 8.509 3.222 1.00 0.00 C ATOM 1391 C LEU A 103 0.701 9.249 2.493 1.00 0.00 C ATOM 1392 O LEU A 103 1.741 8.670 2.180 1.00 0.00 O ATOM 1393 CB LEU A 103 0.021 8.177 4.649 1.00 0.00 C ATOM 1394 CG LEU A 103 0.663 6.804 4.852 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.157 6.868 4.580 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.397 6.295 6.261 1.00 0.00 C ATOM 0 H LEU A 103 0.002 6.685 2.276 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.292 9.157 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.728 8.939 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.850 8.249 5.301 1.00 0.00 H new ATOM 0 HG LEU A 103 0.216 6.106 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.597 5.882 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.326 7.189 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.621 7.579 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.861 5.317 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.817 6.993 6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.678 6.210 6.420 1.00 0.00 H new ATOM 1408 N PHE A 104 0.480 10.532 2.230 1.00 0.00 N ATOM 1409 CA PHE A 104 1.469 11.352 1.540 1.00 0.00 C ATOM 1410 C PHE A 104 2.246 12.215 2.530 1.00 0.00 C ATOM 1411 O PHE A 104 1.693 13.128 3.140 1.00 0.00 O ATOM 1412 CB PHE A 104 0.788 12.241 0.497 1.00 0.00 C ATOM 1413 CG PHE A 104 1.701 12.660 -0.620 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.396 11.715 -1.357 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.862 14.000 -0.934 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.236 12.098 -2.385 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.700 14.389 -1.962 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.389 13.437 -2.688 1.00 0.00 C ATOM 0 H PHE A 104 -0.375 11.027 2.484 1.00 0.00 H new ATOM 0 HA PHE A 104 2.170 10.685 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.065 11.708 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.397 13.131 0.989 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.280 10.667 -1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.327 14.749 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.773 11.351 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.816 15.437 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.046 13.739 -3.491 1.00 0.00 H new ATOM 1428 N GLU A 105 3.533 11.916 2.683 1.00 0.00 N ATOM 1429 CA GLU A 105 4.386 12.664 3.600 1.00 0.00 C ATOM 1430 C GLU A 105 3.852 12.584 5.027 1.00 0.00 C ATOM 1431 O GLU A 105 3.805 13.586 5.739 1.00 0.00 O ATOM 1432 CB GLU A 105 4.485 14.126 3.162 1.00 0.00 C ATOM 1433 CG GLU A 105 5.276 14.326 1.880 1.00 0.00 C ATOM 1434 CD GLU A 105 6.772 14.386 2.121 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.334 13.387 2.617 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.380 15.432 1.814 1.00 0.00 O ATOM 0 H GLU A 105 4.007 11.163 2.185 1.00 0.00 H new ATOM 0 HA GLU A 105 5.380 12.218 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.480 14.524 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.950 14.705 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.055 13.511 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.952 15.248 1.398 1.00 0.00 H new ATOM 1443 N GLU A 106 3.450 11.384 5.436 1.00 0.00 N ATOM 1444 CA GLU A 106 2.917 11.174 6.777 1.00 0.00 C ATOM 1445 C GLU A 106 1.535 11.804 6.919 1.00 0.00 C ATOM 1446 O GLU A 106 1.144 12.233 8.005 1.00 0.00 O ATOM 1447 CB GLU A 106 3.867 11.760 7.824 1.00 0.00 C ATOM 1448 CG GLU A 106 5.332 11.467 7.549 1.00 0.00 C ATOM 1449 CD GLU A 106 6.218 11.747 8.747 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.124 12.860 9.307 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.005 10.855 9.126 1.00 0.00 O ATOM 0 H GLU A 106 3.483 10.544 4.859 1.00 0.00 H new ATOM 0 HA GLU A 106 2.825 10.100 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.723 12.840 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.604 11.363 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.441 10.422 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.667 12.070 6.705 1.00 0.00 H new ATOM 1458 N VAL A 107 0.799 11.858 5.813 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.540 12.435 5.813 1.00 0.00 C ATOM 1460 C VAL A 107 -1.539 11.505 5.134 1.00 0.00 C ATOM 1461 O VAL A 107 -1.486 11.297 3.922 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.562 13.801 5.102 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.876 14.520 5.367 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.619 14.651 5.544 1.00 0.00 C ATOM 0 H VAL A 107 1.108 11.509 4.906 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.826 12.572 6.856 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.477 13.633 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.873 15.483 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.703 13.915 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.995 14.678 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.587 15.612 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.569 14.812 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.549 14.139 5.297 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.450 10.946 5.925 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.464 10.037 5.400 1.00 0.00 C ATOM 1476 C HIS A 108 -4.414 10.770 4.457 1.00 0.00 C ATOM 1477 O HIS A 108 -5.093 11.716 4.857 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.252 9.403 6.546 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.676 8.105 7.023 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.272 6.885 6.787 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.550 7.842 7.726 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.539 5.927 7.325 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.487 6.482 7.901 1.00 0.00 N ATOM 0 H HIS A 108 -2.507 11.106 6.931 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.958 9.251 4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.290 10.103 7.381 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.279 9.238 6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.834 8.567 8.083 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.761 4.870 7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.748 5.981 8.395 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.455 10.326 3.205 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.322 10.939 2.207 1.00 0.00 C ATOM 1494 C ILE A 109 -6.792 10.690 2.527 1.00 0.00 C ATOM 1495 O ILE A 109 -7.157 9.691 3.148 1.00 0.00 O ATOM 1496 CB ILE A 109 -5.018 10.406 0.794 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.379 8.922 0.697 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.553 10.624 0.449 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.690 8.466 -0.711 1.00 0.00 C ATOM 0 H ILE A 109 -3.898 9.545 2.858 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.124 12.011 2.233 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.625 10.956 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.552 8.329 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.242 8.724 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.354 10.242 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.326 11.690 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.927 10.097 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.937 7.404 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.537 9.033 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.821 8.632 -1.347 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.658 11.618 2.094 1.00 0.00 N ATOM 1512 CA PRO A 110 -9.103 11.520 2.320 1.00 0.00 C ATOM 1513 C PRO A 110 -9.743 10.401 1.506 1.00 0.00 C ATOM 1514 O PRO A 110 -10.251 10.631 0.409 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.627 12.883 1.861 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.618 13.365 0.876 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.293 12.834 1.348 1.00 0.00 C ATOM 0 HA PRO A 110 -9.338 11.285 3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.614 12.795 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.723 13.573 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.848 13.005 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.608 14.454 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.630 12.609 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.775 13.554 1.982 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.715 9.189 2.051 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.297 8.052 1.360 1.00 0.00 C ATOM 1527 C GLY A 111 -9.603 6.749 1.703 1.00 0.00 C ATOM 1528 O GLY A 111 -10.089 5.671 1.360 1.00 0.00 O ATOM 0 H GLY A 111 -9.300 8.974 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.354 7.976 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.242 8.217 0.284 1.00 0.00 H new ATOM 1532 N SER A 112 -8.464 6.847 2.381 1.00 0.00 N ATOM 1533 CA SER A 112 -7.700 5.666 2.766 1.00 0.00 C ATOM 1534 C SER A 112 -7.844 5.388 4.259 1.00 0.00 C ATOM 1535 O SER A 112 -8.121 6.282 5.059 1.00 0.00 O ATOM 1536 CB SER A 112 -6.223 5.850 2.410 1.00 0.00 C ATOM 1537 OG SER A 112 -5.501 6.398 3.499 1.00 0.00 O ATOM 0 H SER A 112 -8.050 7.732 2.675 1.00 0.00 H new ATOM 0 HA SER A 112 -8.096 4.812 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.791 4.889 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.133 6.505 1.543 1.00 0.00 H new ATOM 0 HG SER A 112 -4.697 6.849 3.165 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.651 4.118 4.645 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.321 3.046 3.702 1.00 0.00 C ATOM 1545 C PRO A 113 -8.492 2.694 2.791 1.00 0.00 C ATOM 1546 O PRO A 113 -9.608 3.176 2.984 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.980 1.864 4.614 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.719 2.136 5.878 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.741 3.631 6.032 1.00 0.00 C ATOM 0 HA PRO A 113 -6.512 3.331 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.290 0.918 4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.906 1.796 4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.731 1.734 5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.226 1.664 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.655 3.971 6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.906 3.985 6.637 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.231 1.851 1.797 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.263 1.435 0.856 1.00 0.00 C ATOM 1559 C PHE A 114 -9.570 -0.052 1.006 1.00 0.00 C ATOM 1560 O PHE A 114 -8.880 -0.901 0.442 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.825 1.734 -0.580 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.941 3.184 -0.953 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.015 4.107 -0.494 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.977 3.624 -1.761 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.119 5.443 -0.836 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.086 4.958 -2.106 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.156 5.869 -1.642 1.00 0.00 C ATOM 0 H PHE A 114 -7.313 1.443 1.623 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.169 1.999 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.791 1.416 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.429 1.141 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.203 3.779 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.707 2.917 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.390 6.152 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.897 5.288 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.240 6.912 -1.909 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.611 -0.360 1.773 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.012 -1.743 1.999 1.00 0.00 C ATOM 1579 C LYS A 115 -11.259 -2.462 0.676 1.00 0.00 C ATOM 1580 O LYS A 115 -12.140 -2.080 -0.093 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.274 -1.795 2.863 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.618 -3.191 3.355 1.00 0.00 C ATOM 1583 CD LYS A 115 -14.100 -3.325 3.661 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.467 -2.625 4.960 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.942 -2.517 5.135 1.00 0.00 N ATOM 0 H LYS A 115 -11.192 0.330 2.249 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.200 -2.249 2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.143 -1.138 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.114 -1.404 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.334 -3.924 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.039 -3.415 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.681 -2.902 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.365 -4.380 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.041 -3.173 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.026 -1.628 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.151 -2.034 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.346 -1.973 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.361 -3.469 5.149 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.476 -3.504 0.419 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.613 -4.278 -0.808 1.00 0.00 C ATOM 1601 C ALA A 116 -11.005 -5.720 -0.508 1.00 0.00 C ATOM 1602 O ALA A 116 -10.175 -6.525 -0.086 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.317 -4.237 -1.605 1.00 0.00 C ATOM 0 H ALA A 116 -9.740 -3.832 1.044 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.408 -3.830 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.433 -4.819 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.079 -3.204 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.509 -4.658 -1.007 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.276 -6.041 -0.727 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.779 -7.387 -0.480 1.00 0.00 C ATOM 1611 C ASP A 117 -12.326 -8.346 -1.576 1.00 0.00 C ATOM 1612 O ASP A 117 -12.732 -8.219 -2.732 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.306 -7.376 -0.393 1.00 0.00 C ATOM 1614 CG ASP A 117 -14.805 -6.965 0.978 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.073 -7.184 1.965 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.929 -6.427 1.064 1.00 0.00 O ATOM 0 H ASP A 117 -12.977 -5.387 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.372 -7.732 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.705 -6.691 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.688 -8.368 -0.633 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.482 -9.304 -1.206 1.00 0.00 N ATOM 1622 CA ILE A 118 -10.974 -10.284 -2.157 1.00 0.00 C ATOM 1623 C ILE A 118 -11.844 -11.536 -2.173 1.00 0.00 C ATOM 1624 O ILE A 118 -12.177 -12.086 -1.124 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.523 -10.684 -1.833 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.608 -9.460 -1.894 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.043 -11.760 -2.795 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.496 -8.857 -3.277 1.00 0.00 C ATOM 0 H ILE A 118 -11.136 -9.422 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.001 -9.813 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.490 -11.088 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -8.982 -8.702 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.614 -9.742 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.016 -12.032 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.682 -12.639 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.087 -11.381 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.832 -7.993 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.093 -9.599 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.483 -8.543 -3.618 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.207 -11.983 -3.372 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.037 -13.172 -3.524 1.00 0.00 C ATOM 1642 C GLU A 119 -12.275 -14.279 -4.247 1.00 0.00 C ATOM 1643 O GLU A 119 -11.250 -14.029 -4.881 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.317 -12.834 -4.291 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.173 -11.778 -3.611 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.616 -11.811 -4.074 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.894 -11.321 -5.188 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.468 -12.328 -3.321 1.00 0.00 O ATOM 0 H GLU A 119 -11.939 -11.540 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.302 -13.528 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.051 -12.487 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.906 -13.742 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.138 -11.927 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.754 -10.792 -3.810 1.00 0.00 H new ATOM 1655 N MET A 120 -12.783 -15.503 -4.147 1.00 0.00 N ATOM 1656 CA MET A 120 -12.152 -16.648 -4.792 1.00 0.00 C ATOM 1657 C MET A 120 -12.502 -16.698 -6.275 1.00 0.00 C ATOM 1658 O MET A 120 -13.653 -16.513 -6.672 1.00 0.00 O ATOM 1659 CB MET A 120 -12.583 -17.947 -4.109 1.00 0.00 C ATOM 1660 CG MET A 120 -11.862 -18.214 -2.798 1.00 0.00 C ATOM 1661 SD MET A 120 -11.841 -19.963 -2.361 1.00 0.00 S ATOM 1662 CE MET A 120 -10.129 -20.170 -1.876 1.00 0.00 C ATOM 0 H MET A 120 -13.630 -15.727 -3.625 1.00 0.00 H new ATOM 0 HA MET A 120 -11.072 -16.537 -4.696 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.656 -17.911 -3.923 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.405 -18.781 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.837 -17.849 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.346 -17.650 -2.000 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.958 -21.204 -1.577 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.480 -19.923 -2.716 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.906 -19.509 -1.039 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.489 -16.953 -7.116 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.666 -17.033 -8.569 1.00 0.00 C ATOM 1674 C PRO A 121 -12.455 -18.269 -8.989 1.00 0.00 C ATOM 1675 O PRO A 121 -12.492 -19.268 -8.270 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.232 -17.109 -9.098 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.443 -17.686 -7.973 1.00 0.00 C ATOM 1678 CD PRO A 121 -10.091 -17.183 -6.713 1.00 0.00 C ATOM 0 HA PRO A 121 -12.233 -16.187 -8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.171 -17.737 -9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.860 -16.123 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.452 -18.775 -8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.400 -17.374 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -10.020 -17.912 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.620 -16.267 -6.357 1.00 0.00 H new