USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 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 137 SER OG : rot -140:sc= 0.982 USER MOD Set 1.2: A 139 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 123 THR OG1 : rot 140:sc= 1.54 USER MOD Set 2.2: A 133 THR OG1 : rot 103:sc= 0.411 USER MOD Set 3.1: A 48 THR OG1 : rot 140:sc= -0.138 USER MOD Set 3.2: A 87 MET CE :methyl -118:sc= -1.01 (180deg=-0.75) USER MOD Single : A 25 SER OG : rot 22:sc= -4.9! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.071 (180deg=-0.317) USER MOD Single : A 38 SER OG : rot -61:sc= -2.21! USER MOD Single : A 41 TYR OH : rot 44:sc= 0.855 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 22:sc= -0.23 USER MOD Single : A 49 ASN : amide:sc= -1.05 K(o=-1,f=-9.2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 53 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-4.9!) USER MOD Single : A 54 SER OG : rot -43:sc= 1.29 USER MOD Single : A 58 CYS SG : rot -18:sc= -1.2! USER MOD Single : A 61 SER OG : rot -56:sc= 1.06 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.35) USER MOD Single : A 66 SER OG : rot 112:sc= -0.498! USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= 1.03 (180deg=-0.196!) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 0.849 (180deg=0.324) USER MOD Single : A 81 SER OG : rot 2:sc= 0.65 USER MOD Single : A 83 LYS NZ :NH3+ -155:sc= 0.894 (180deg=0.497) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -139:sc= -0.735 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.484 K(o=0.48,f=-1.1) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -8.16! K(o=-8.2!,f=-2.2) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -167:sc= -0.0111 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 364 N GLY A 24 8.864 -0.403 -4.209 1.00 0.54 N ATOM 365 CA GLY A 24 7.534 -0.354 -3.636 1.00 0.46 C ATOM 366 C GLY A 24 6.921 -1.669 -3.251 1.00 0.33 C ATOM 367 O GLY A 24 7.603 -2.590 -2.826 1.00 0.39 O ATOM 0 HA2 GLY A 24 7.568 0.279 -2.749 1.00 0.46 H new ATOM 0 HA3 GLY A 24 6.872 0.134 -4.351 1.00 0.46 H new ATOM 371 N SER A 25 5.604 -1.705 -3.436 1.00 0.28 N ATOM 372 CA SER A 25 4.719 -2.787 -3.057 1.00 0.30 C ATOM 373 C SER A 25 3.309 -2.379 -3.466 1.00 0.32 C ATOM 374 O SER A 25 2.371 -2.391 -2.672 1.00 0.39 O ATOM 375 CB SER A 25 4.755 -3.093 -1.557 1.00 0.37 C ATOM 376 OG SER A 25 5.981 -3.666 -1.161 1.00 1.20 O ATOM 0 H SER A 25 5.105 -0.934 -3.879 1.00 0.28 H new ATOM 0 HA SER A 25 5.044 -3.698 -3.559 1.00 0.30 H new ATOM 0 HB2 SER A 25 4.587 -2.174 -0.996 1.00 0.37 H new ATOM 0 HB3 SER A 25 3.940 -3.772 -1.307 1.00 0.37 H new ATOM 0 HG SER A 25 6.673 -3.444 -1.818 1.00 1.20 H new ATOM 382 N VAL A 26 3.191 -1.946 -4.703 1.00 0.28 N ATOM 383 CA VAL A 26 1.917 -1.552 -5.273 1.00 0.30 C ATOM 384 C VAL A 26 1.776 -2.152 -6.664 1.00 0.30 C ATOM 385 O VAL A 26 2.782 -2.490 -7.287 1.00 0.30 O ATOM 386 CB VAL A 26 1.803 -0.013 -5.363 1.00 0.33 C ATOM 387 CG1 VAL A 26 1.699 0.611 -3.983 1.00 0.93 C ATOM 388 CG2 VAL A 26 2.998 0.544 -6.105 1.00 0.88 C ATOM 0 H VAL A 26 3.978 -1.856 -5.345 1.00 0.28 H new ATOM 0 HA VAL A 26 1.121 -1.920 -4.625 1.00 0.30 H new ATOM 0 HB VAL A 26 0.893 0.235 -5.909 1.00 0.33 H new ATOM 0 HG11 VAL A 26 1.620 1.694 -4.078 1.00 0.93 H new ATOM 0 HG12 VAL A 26 0.815 0.226 -3.475 1.00 0.93 H new ATOM 0 HG13 VAL A 26 2.588 0.362 -3.403 1.00 0.93 H new ATOM 0 HG21 VAL A 26 2.915 1.629 -6.167 1.00 0.88 H new ATOM 0 HG22 VAL A 26 3.912 0.280 -5.573 1.00 0.88 H new ATOM 0 HG23 VAL A 26 3.030 0.125 -7.111 1.00 0.88 H new ATOM 398 N THR A 27 0.541 -2.349 -7.106 1.00 0.33 N ATOM 399 CA THR A 27 0.248 -2.604 -8.514 1.00 0.36 C ATOM 400 C THR A 27 -1.268 -2.694 -8.771 1.00 0.38 C ATOM 401 O THR A 27 -1.747 -2.227 -9.808 1.00 0.48 O ATOM 402 CB THR A 27 0.979 -3.859 -9.059 1.00 0.39 C ATOM 403 OG1 THR A 27 0.596 -4.117 -10.416 1.00 0.47 O ATOM 404 CG2 THR A 27 0.711 -5.082 -8.204 1.00 0.39 C ATOM 0 H THR A 27 -0.283 -2.337 -6.505 1.00 0.33 H new ATOM 0 HA THR A 27 0.634 -1.747 -9.065 1.00 0.36 H new ATOM 0 HB THR A 27 2.048 -3.651 -9.022 1.00 0.39 H new ATOM 0 HG1 THR A 27 1.068 -4.911 -10.744 1.00 0.47 H new ATOM 0 HG21 THR A 27 1.241 -5.939 -8.619 1.00 0.39 H new ATOM 0 HG22 THR A 27 1.058 -4.898 -7.187 1.00 0.39 H new ATOM 0 HG23 THR A 27 -0.359 -5.289 -8.190 1.00 0.39 H new ATOM 412 N ASP A 28 -2.027 -3.268 -7.832 1.00 0.35 N ATOM 413 CA ASP A 28 -3.485 -3.357 -7.971 1.00 0.42 C ATOM 414 C ASP A 28 -4.129 -3.674 -6.637 1.00 0.35 C ATOM 415 O ASP A 28 -3.498 -4.219 -5.747 1.00 0.37 O ATOM 416 CB ASP A 28 -3.882 -4.465 -8.951 1.00 0.57 C ATOM 417 CG ASP A 28 -5.379 -4.512 -9.213 1.00 1.08 C ATOM 418 OD1 ASP A 28 -5.903 -3.582 -9.862 1.00 1.69 O ATOM 419 OD2 ASP A 28 -6.038 -5.481 -8.785 1.00 1.44 O ATOM 0 H ASP A 28 -1.659 -3.676 -6.972 1.00 0.35 H new ATOM 0 HA ASP A 28 -3.828 -2.391 -8.343 1.00 0.42 H new ATOM 0 HB2 ASP A 28 -3.357 -4.314 -9.894 1.00 0.57 H new ATOM 0 HB3 ASP A 28 -3.557 -5.427 -8.555 1.00 0.57 H new ATOM 424 N VAL A 29 -5.369 -3.286 -6.475 1.00 0.39 N ATOM 425 CA VAL A 29 -6.185 -3.807 -5.399 1.00 0.41 C ATOM 426 C VAL A 29 -7.642 -3.792 -5.813 1.00 0.37 C ATOM 427 O VAL A 29 -8.081 -2.897 -6.540 1.00 0.42 O ATOM 428 CB VAL A 29 -5.965 -3.072 -4.054 1.00 0.60 C ATOM 429 CG1 VAL A 29 -5.342 -1.718 -4.270 1.00 1.13 C ATOM 430 CG2 VAL A 29 -7.261 -2.940 -3.277 1.00 1.14 C ATOM 0 H VAL A 29 -5.840 -2.609 -7.075 1.00 0.39 H new ATOM 0 HA VAL A 29 -5.873 -4.836 -5.219 1.00 0.41 H new ATOM 0 HB VAL A 29 -5.276 -3.676 -3.463 1.00 0.60 H new ATOM 0 HG11 VAL A 29 -5.199 -1.225 -3.308 1.00 1.13 H new ATOM 0 HG12 VAL A 29 -4.377 -1.836 -4.764 1.00 1.13 H new ATOM 0 HG13 VAL A 29 -5.998 -1.111 -4.895 1.00 1.13 H new ATOM 0 HG21 VAL A 29 -7.071 -2.420 -2.338 1.00 1.14 H new ATOM 0 HG22 VAL A 29 -7.982 -2.374 -3.866 1.00 1.14 H new ATOM 0 HG23 VAL A 29 -7.662 -3.932 -3.067 1.00 1.14 H new ATOM 440 N ASP A 30 -8.377 -4.788 -5.371 1.00 0.37 N ATOM 441 CA ASP A 30 -9.773 -4.909 -5.711 1.00 0.38 C ATOM 442 C ASP A 30 -10.590 -4.993 -4.430 1.00 0.42 C ATOM 443 O ASP A 30 -10.169 -5.618 -3.457 1.00 0.54 O ATOM 444 CB ASP A 30 -9.966 -6.146 -6.575 1.00 0.51 C ATOM 445 CG ASP A 30 -11.316 -6.204 -7.267 1.00 1.00 C ATOM 446 OD1 ASP A 30 -12.173 -5.352 -6.954 1.00 1.16 O ATOM 447 OD2 ASP A 30 -11.533 -7.091 -8.120 1.00 1.83 O ATOM 0 H ASP A 30 -8.024 -5.532 -4.769 1.00 0.37 H new ATOM 0 HA ASP A 30 -10.110 -4.040 -6.276 1.00 0.38 H new ATOM 0 HB2 ASP A 30 -9.180 -6.178 -7.329 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -9.848 -7.034 -5.954 1.00 0.51 H new ATOM 452 N LEU A 31 -11.753 -4.382 -4.433 1.00 0.47 N ATOM 453 CA LEU A 31 -12.525 -4.210 -3.219 1.00 0.57 C ATOM 454 C LEU A 31 -13.635 -5.240 -3.169 1.00 0.58 C ATOM 455 O LEU A 31 -14.560 -5.190 -3.986 1.00 0.67 O ATOM 456 CB LEU A 31 -13.095 -2.776 -3.171 1.00 0.71 C ATOM 457 CG LEU A 31 -13.860 -2.380 -1.898 1.00 0.85 C ATOM 458 CD1 LEU A 31 -15.283 -2.918 -1.917 1.00 0.94 C ATOM 459 CD2 LEU A 31 -13.124 -2.879 -0.671 1.00 0.86 C ATOM 0 H LEU A 31 -12.189 -3.992 -5.269 1.00 0.47 H new ATOM 0 HA LEU A 31 -11.885 -4.357 -2.349 1.00 0.57 H new ATOM 0 HB2 LEU A 31 -12.269 -2.077 -3.303 1.00 0.71 H new ATOM 0 HB3 LEU A 31 -13.762 -2.646 -4.023 1.00 0.71 H new ATOM 0 HG LEU A 31 -13.916 -1.292 -1.862 1.00 0.85 H new ATOM 0 HD11 LEU A 31 -15.797 -2.620 -1.003 1.00 0.94 H new ATOM 0 HD12 LEU A 31 -15.813 -2.514 -2.779 1.00 0.94 H new ATOM 0 HD13 LEU A 31 -15.260 -4.006 -1.983 1.00 0.94 H new ATOM 0 HD21 LEU A 31 -13.675 -2.593 0.225 1.00 0.86 H new ATOM 0 HD22 LEU A 31 -13.040 -3.965 -0.714 1.00 0.86 H new ATOM 0 HD23 LEU A 31 -12.127 -2.439 -0.640 1.00 0.86 H new ATOM 471 N LYS A 32 -13.548 -6.185 -2.229 1.00 0.56 N ATOM 472 CA LYS A 32 -14.601 -7.142 -2.070 1.00 0.60 C ATOM 473 C LYS A 32 -14.374 -8.063 -0.871 1.00 0.82 C ATOM 474 O LYS A 32 -13.249 -8.430 -0.505 1.00 1.33 O ATOM 475 CB LYS A 32 -14.738 -7.987 -3.305 1.00 0.62 C ATOM 476 CG LYS A 32 -13.788 -9.126 -3.258 1.00 0.65 C ATOM 477 CD LYS A 32 -12.504 -8.808 -4.007 1.00 0.90 C ATOM 478 CE LYS A 32 -12.756 -8.549 -5.487 1.00 1.10 C ATOM 479 NZ LYS A 32 -13.572 -9.615 -6.127 1.00 1.32 N ATOM 0 H LYS A 32 -12.765 -6.293 -1.585 1.00 0.56 H new ATOM 0 HA LYS A 32 -15.513 -6.571 -1.899 1.00 0.60 H new ATOM 0 HB2 LYS A 32 -15.759 -8.359 -3.388 1.00 0.62 H new ATOM 0 HB3 LYS A 32 -14.547 -7.382 -4.191 1.00 0.62 H new ATOM 0 HG2 LYS A 32 -13.556 -9.366 -2.220 1.00 0.65 H new ATOM 0 HG3 LYS A 32 -14.255 -10.010 -3.692 1.00 0.65 H new ATOM 0 HD2 LYS A 32 -12.031 -7.933 -3.561 1.00 0.90 H new ATOM 0 HD3 LYS A 32 -11.806 -9.638 -3.898 1.00 0.90 H new ATOM 0 HE2 LYS A 32 -13.263 -7.591 -5.603 1.00 1.10 H new ATOM 0 HE3 LYS A 32 -11.800 -8.469 -6.005 1.00 1.10 H new ATOM 0 HZ1 LYS A 32 -13.544 -9.501 -7.160 1.00 1.32 H new ATOM 0 HZ2 LYS A 32 -13.188 -10.547 -5.871 1.00 1.32 H new ATOM 0 HZ3 LYS A 32 -14.556 -9.544 -5.798 1.00 1.32 H new ATOM 493 N ASP A 33 -15.497 -8.418 -0.335 1.00 0.60 N ATOM 494 CA ASP A 33 -15.678 -9.199 0.887 1.00 0.94 C ATOM 495 C ASP A 33 -17.089 -8.989 1.370 1.00 0.53 C ATOM 496 O ASP A 33 -17.918 -8.437 0.642 1.00 1.46 O ATOM 497 CB ASP A 33 -14.686 -8.898 1.986 1.00 2.08 C ATOM 498 CG ASP A 33 -14.461 -10.122 2.852 1.00 2.37 C ATOM 499 OD1 ASP A 33 -13.612 -10.963 2.481 1.00 2.85 O ATOM 500 OD2 ASP A 33 -15.154 -10.269 3.877 1.00 2.32 O ATOM 0 H ASP A 33 -16.389 -8.160 -0.757 1.00 0.60 H new ATOM 0 HA ASP A 33 -15.491 -10.243 0.634 1.00 0.94 H new ATOM 0 HB2 ASP A 33 -13.740 -8.575 1.551 1.00 2.08 H new ATOM 0 HB3 ASP A 33 -15.053 -8.075 2.599 1.00 2.08 H new ATOM 571 N SER A 38 -18.082 -6.433 7.679 1.00 0.54 N ATOM 572 CA SER A 38 -17.070 -5.535 7.197 1.00 0.48 C ATOM 573 C SER A 38 -16.766 -5.890 5.778 1.00 0.50 C ATOM 574 O SER A 38 -16.698 -7.075 5.458 1.00 0.94 O ATOM 575 CB SER A 38 -15.794 -5.652 8.044 1.00 0.55 C ATOM 576 OG SER A 38 -14.764 -4.810 7.551 1.00 0.76 O ATOM 0 HA SER A 38 -17.430 -4.509 7.266 1.00 0.48 H new ATOM 0 HB2 SER A 38 -16.017 -5.389 9.078 1.00 0.55 H new ATOM 0 HB3 SER A 38 -15.450 -6.686 8.045 1.00 0.55 H new ATOM 0 HG SER A 38 -14.534 -5.076 6.636 1.00 0.76 H new ATOM 582 N VAL A 39 -16.552 -4.910 4.934 1.00 0.33 N ATOM 583 CA VAL A 39 -16.086 -5.217 3.616 1.00 0.35 C ATOM 584 C VAL A 39 -14.587 -5.360 3.713 1.00 0.31 C ATOM 585 O VAL A 39 -13.979 -4.931 4.686 1.00 0.34 O ATOM 586 CB VAL A 39 -16.497 -4.155 2.578 1.00 0.43 C ATOM 587 CG1 VAL A 39 -16.104 -4.588 1.172 1.00 0.86 C ATOM 588 CG2 VAL A 39 -17.996 -3.903 2.656 1.00 0.86 C ATOM 0 H VAL A 39 -16.690 -3.919 5.134 1.00 0.33 H new ATOM 0 HA VAL A 39 -16.544 -6.140 3.261 1.00 0.35 H new ATOM 0 HB VAL A 39 -15.970 -3.229 2.805 1.00 0.43 H new ATOM 0 HG11 VAL A 39 -16.405 -3.822 0.458 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -15.024 -4.726 1.122 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -16.601 -5.527 0.928 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -18.277 -3.151 1.919 1.00 0.86 H new ATOM 0 HG22 VAL A 39 -18.532 -4.830 2.452 1.00 0.86 H new ATOM 0 HG23 VAL A 39 -18.254 -3.547 3.654 1.00 0.86 H new ATOM 598 N GLU A 40 -13.996 -6.043 2.790 1.00 0.33 N ATOM 599 CA GLU A 40 -12.579 -6.244 2.832 1.00 0.36 C ATOM 600 C GLU A 40 -12.044 -6.103 1.431 1.00 0.38 C ATOM 601 O GLU A 40 -12.821 -6.047 0.487 1.00 0.50 O ATOM 602 CB GLU A 40 -12.260 -7.592 3.465 1.00 0.52 C ATOM 603 CG GLU A 40 -12.916 -7.777 4.836 1.00 0.62 C ATOM 604 CD GLU A 40 -12.174 -8.723 5.756 1.00 0.89 C ATOM 605 OE1 GLU A 40 -12.265 -9.950 5.568 1.00 1.16 O ATOM 606 OE2 GLU A 40 -11.519 -8.237 6.702 1.00 1.19 O ATOM 0 H GLU A 40 -14.469 -6.473 1.995 1.00 0.33 H new ATOM 0 HA GLU A 40 -12.091 -5.496 3.457 1.00 0.36 H new ATOM 0 HB2 GLU A 40 -12.592 -8.388 2.799 1.00 0.52 H new ATOM 0 HB3 GLU A 40 -11.180 -7.693 3.568 1.00 0.52 H new ATOM 0 HG2 GLU A 40 -12.997 -6.805 5.322 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -13.931 -8.148 4.694 1.00 0.62 H new ATOM 613 N TYR A 41 -10.750 -5.964 1.267 1.00 0.37 N ATOM 614 CA TYR A 41 -10.237 -5.804 -0.098 1.00 0.56 C ATOM 615 C TYR A 41 -9.028 -6.662 -0.369 1.00 0.43 C ATOM 616 O TYR A 41 -8.052 -6.628 0.368 1.00 0.40 O ATOM 617 CB TYR A 41 -9.913 -4.345 -0.434 1.00 0.89 C ATOM 618 CG TYR A 41 -8.703 -3.778 0.280 1.00 0.86 C ATOM 619 CD1 TYR A 41 -7.426 -3.991 -0.199 1.00 1.65 C ATOM 620 CD2 TYR A 41 -8.846 -3.011 1.432 1.00 1.30 C ATOM 621 CE1 TYR A 41 -6.329 -3.452 0.439 1.00 2.63 C ATOM 622 CE2 TYR A 41 -7.755 -2.473 2.074 1.00 2.04 C ATOM 623 CZ TYR A 41 -6.474 -2.787 1.604 1.00 2.72 C ATOM 624 OH TYR A 41 -5.404 -2.141 2.193 1.00 3.73 O ATOM 0 H TYR A 41 -10.053 -5.956 2.011 1.00 0.37 H new ATOM 0 HA TYR A 41 -11.047 -6.138 -0.746 1.00 0.56 H new ATOM 0 HB2 TYR A 41 -9.754 -4.262 -1.509 1.00 0.89 H new ATOM 0 HB3 TYR A 41 -10.780 -3.731 -0.192 1.00 0.89 H new ATOM 0 HD1 TYR A 41 -7.284 -4.589 -1.087 1.00 1.65 H new ATOM 0 HD2 TYR A 41 -9.834 -2.834 1.830 1.00 1.30 H new ATOM 0 HE1 TYR A 41 -5.347 -3.563 0.003 1.00 2.63 H new ATOM 0 HE2 TYR A 41 -7.884 -1.820 2.925 1.00 2.04 H new ATOM 0 HH TYR A 41 -4.899 -1.653 1.509 1.00 3.73 H new ATOM 634 N LEU A 42 -9.093 -7.443 -1.429 1.00 0.41 N ATOM 635 CA LEU A 42 -7.914 -8.195 -1.842 1.00 0.38 C ATOM 636 C LEU A 42 -6.994 -7.287 -2.659 1.00 0.34 C ATOM 637 O LEU A 42 -7.361 -6.829 -3.744 1.00 0.38 O ATOM 638 CB LEU A 42 -8.290 -9.448 -2.643 1.00 0.49 C ATOM 639 CG LEU A 42 -7.336 -10.645 -2.469 1.00 0.55 C ATOM 640 CD1 LEU A 42 -5.905 -10.279 -2.841 1.00 0.71 C ATOM 641 CD2 LEU A 42 -7.388 -11.158 -1.038 1.00 0.81 C ATOM 0 H LEU A 42 -9.922 -7.575 -2.009 1.00 0.41 H new ATOM 0 HA LEU A 42 -7.391 -8.534 -0.948 1.00 0.38 H new ATOM 0 HB2 LEU A 42 -9.294 -9.758 -2.353 1.00 0.49 H new ATOM 0 HB3 LEU A 42 -8.330 -9.186 -3.700 1.00 0.49 H new ATOM 0 HG LEU A 42 -7.667 -11.433 -3.145 1.00 0.55 H new ATOM 0 HD11 LEU A 42 -5.260 -11.148 -2.706 1.00 0.71 H new ATOM 0 HD12 LEU A 42 -5.870 -9.960 -3.883 1.00 0.71 H new ATOM 0 HD13 LEU A 42 -5.559 -9.467 -2.201 1.00 0.71 H new ATOM 0 HD21 LEU A 42 -6.709 -12.004 -0.930 1.00 0.81 H new ATOM 0 HD22 LEU A 42 -7.089 -10.363 -0.355 1.00 0.81 H new ATOM 0 HD23 LEU A 42 -8.404 -11.476 -0.802 1.00 0.81 H new ATOM 653 N ALA A 43 -5.806 -7.021 -2.128 1.00 0.33 N ATOM 654 CA ALA A 43 -4.863 -6.122 -2.785 1.00 0.36 C ATOM 655 C ALA A 43 -3.701 -6.878 -3.414 1.00 0.35 C ATOM 656 O ALA A 43 -2.939 -7.562 -2.726 1.00 0.37 O ATOM 657 CB ALA A 43 -4.333 -5.094 -1.800 1.00 0.42 C ATOM 0 H ALA A 43 -5.473 -7.413 -1.247 1.00 0.33 H new ATOM 0 HA ALA A 43 -5.405 -5.614 -3.583 1.00 0.36 H new ATOM 0 HB1 ALA A 43 -3.631 -4.432 -2.307 1.00 0.42 H new ATOM 0 HB2 ALA A 43 -5.163 -4.508 -1.404 1.00 0.42 H new ATOM 0 HB3 ALA A 43 -3.824 -5.603 -0.981 1.00 0.42 H new ATOM 663 N LYS A 44 -3.567 -6.744 -4.725 1.00 0.38 N ATOM 664 CA LYS A 44 -2.432 -7.300 -5.431 1.00 0.39 C ATOM 665 C LYS A 44 -1.285 -6.294 -5.421 1.00 0.36 C ATOM 666 O LYS A 44 -1.268 -5.317 -6.157 1.00 0.47 O ATOM 667 CB LYS A 44 -2.821 -7.676 -6.861 1.00 0.53 C ATOM 668 CG LYS A 44 -1.707 -8.347 -7.658 1.00 0.95 C ATOM 669 CD LYS A 44 -1.228 -9.638 -7.003 1.00 1.58 C ATOM 670 CE LYS A 44 -2.358 -10.640 -6.831 1.00 1.61 C ATOM 671 NZ LYS A 44 -1.877 -11.920 -6.251 1.00 2.63 N ATOM 0 H LYS A 44 -4.235 -6.253 -5.319 1.00 0.38 H new ATOM 0 HA LYS A 44 -2.105 -8.210 -4.928 1.00 0.39 H new ATOM 0 HB2 LYS A 44 -3.681 -8.345 -6.827 1.00 0.53 H new ATOM 0 HB3 LYS A 44 -3.137 -6.776 -7.388 1.00 0.53 H new ATOM 0 HG2 LYS A 44 -2.063 -8.563 -8.665 1.00 0.95 H new ATOM 0 HG3 LYS A 44 -0.868 -7.659 -7.757 1.00 0.95 H new ATOM 0 HD2 LYS A 44 -0.439 -10.082 -7.610 1.00 1.58 H new ATOM 0 HD3 LYS A 44 -0.793 -9.411 -6.030 1.00 1.58 H new ATOM 0 HE2 LYS A 44 -3.126 -10.214 -6.185 1.00 1.61 H new ATOM 0 HE3 LYS A 44 -2.824 -10.831 -7.797 1.00 1.61 H new ATOM 0 HZ1 LYS A 44 -2.677 -12.577 -6.149 1.00 2.63 H new ATOM 0 HZ2 LYS A 44 -1.162 -12.339 -6.880 1.00 2.63 H new ATOM 0 HZ3 LYS A 44 -1.455 -11.741 -5.318 1.00 2.63 H new ATOM 685 N VAL A 45 -0.342 -6.551 -4.562 1.00 0.31 N ATOM 686 CA VAL A 45 0.790 -5.679 -4.327 1.00 0.33 C ATOM 687 C VAL A 45 1.994 -6.142 -5.142 1.00 0.28 C ATOM 688 O VAL A 45 2.053 -7.296 -5.554 1.00 0.30 O ATOM 689 CB VAL A 45 1.094 -5.728 -2.816 1.00 0.44 C ATOM 690 CG1 VAL A 45 2.484 -5.256 -2.479 1.00 0.82 C ATOM 691 CG2 VAL A 45 0.054 -4.922 -2.054 1.00 0.51 C ATOM 0 H VAL A 45 -0.332 -7.393 -3.987 1.00 0.31 H new ATOM 0 HA VAL A 45 0.567 -4.658 -4.636 1.00 0.33 H new ATOM 0 HB VAL A 45 1.044 -6.773 -2.511 1.00 0.44 H new ATOM 0 HG11 VAL A 45 2.637 -5.314 -1.401 1.00 0.82 H new ATOM 0 HG12 VAL A 45 3.215 -5.887 -2.984 1.00 0.82 H new ATOM 0 HG13 VAL A 45 2.608 -4.224 -2.808 1.00 0.82 H new ATOM 0 HG21 VAL A 45 0.274 -4.960 -0.987 1.00 0.51 H new ATOM 0 HG22 VAL A 45 0.077 -3.886 -2.392 1.00 0.51 H new ATOM 0 HG23 VAL A 45 -0.936 -5.341 -2.236 1.00 0.51 H new ATOM 701 N SER A 46 2.926 -5.247 -5.435 1.00 0.25 N ATOM 702 CA SER A 46 4.169 -5.668 -6.037 1.00 0.25 C ATOM 703 C SER A 46 5.354 -4.916 -5.445 1.00 0.24 C ATOM 704 O SER A 46 5.509 -3.712 -5.648 1.00 0.26 O ATOM 705 CB SER A 46 4.105 -5.489 -7.543 1.00 0.28 C ATOM 706 OG SER A 46 3.449 -6.582 -8.163 1.00 0.72 O ATOM 0 H SER A 46 2.843 -4.244 -5.267 1.00 0.25 H new ATOM 0 HA SER A 46 4.316 -6.726 -5.819 1.00 0.25 H new ATOM 0 HB2 SER A 46 3.579 -4.564 -7.780 1.00 0.28 H new ATOM 0 HB3 SER A 46 5.114 -5.393 -7.943 1.00 0.28 H new ATOM 0 HG SER A 46 2.883 -7.039 -7.506 1.00 0.72 H new ATOM 712 N VAL A 47 6.182 -5.656 -4.724 1.00 0.25 N ATOM 713 CA VAL A 47 7.331 -5.110 -4.024 1.00 0.28 C ATOM 714 C VAL A 47 8.506 -4.963 -4.972 1.00 0.28 C ATOM 715 O VAL A 47 8.923 -5.932 -5.602 1.00 0.30 O ATOM 716 CB VAL A 47 7.786 -6.031 -2.864 1.00 0.41 C ATOM 717 CG1 VAL A 47 8.884 -5.366 -2.044 1.00 1.14 C ATOM 718 CG2 VAL A 47 6.618 -6.427 -1.977 1.00 1.05 C ATOM 0 H VAL A 47 6.073 -6.663 -4.608 1.00 0.25 H new ATOM 0 HA VAL A 47 7.024 -4.142 -3.627 1.00 0.28 H new ATOM 0 HB VAL A 47 8.190 -6.942 -3.306 1.00 0.41 H new ATOM 0 HG11 VAL A 47 9.188 -6.031 -1.235 1.00 1.14 H new ATOM 0 HG12 VAL A 47 9.741 -5.158 -2.684 1.00 1.14 H new ATOM 0 HG13 VAL A 47 8.510 -4.432 -1.625 1.00 1.14 H new ATOM 0 HG21 VAL A 47 6.973 -7.073 -1.174 1.00 1.05 H new ATOM 0 HG22 VAL A 47 6.166 -5.532 -1.550 1.00 1.05 H new ATOM 0 HG23 VAL A 47 5.875 -6.961 -2.570 1.00 1.05 H new ATOM 728 N THR A 48 9.040 -3.761 -5.074 1.00 0.30 N ATOM 729 CA THR A 48 10.236 -3.559 -5.855 1.00 0.31 C ATOM 730 C THR A 48 11.421 -3.399 -4.923 1.00 0.34 C ATOM 731 O THR A 48 11.467 -2.444 -4.151 1.00 0.37 O ATOM 732 CB THR A 48 10.141 -2.324 -6.761 1.00 0.36 C ATOM 733 OG1 THR A 48 8.820 -2.207 -7.301 1.00 0.41 O ATOM 734 CG2 THR A 48 11.153 -2.425 -7.894 1.00 0.41 C ATOM 0 H THR A 48 8.667 -2.922 -4.630 1.00 0.30 H new ATOM 0 HA THR A 48 10.360 -4.432 -6.496 1.00 0.31 H new ATOM 0 HB THR A 48 10.361 -1.438 -6.165 1.00 0.36 H new ATOM 0 HG1 THR A 48 8.550 -1.265 -7.303 1.00 0.41 H new ATOM 0 HG21 THR A 48 11.076 -1.543 -8.530 1.00 0.41 H new ATOM 0 HG22 THR A 48 12.159 -2.486 -7.479 1.00 0.41 H new ATOM 0 HG23 THR A 48 10.949 -3.318 -8.485 1.00 0.41 H new ATOM 742 N ASN A 49 12.337 -4.363 -4.982 1.00 0.38 N ATOM 743 CA ASN A 49 13.568 -4.350 -4.190 1.00 0.44 C ATOM 744 C ASN A 49 14.678 -3.640 -4.957 1.00 0.42 C ATOM 745 O ASN A 49 14.958 -3.987 -6.107 1.00 0.46 O ATOM 746 CB ASN A 49 13.965 -5.799 -3.878 1.00 0.59 C ATOM 747 CG ASN A 49 15.369 -5.975 -3.325 1.00 0.73 C ATOM 748 OD1 ASN A 49 15.932 -5.090 -2.690 1.00 1.48 O ATOM 749 ND2 ASN A 49 15.935 -7.149 -3.560 1.00 0.76 N ATOM 0 H ASN A 49 12.247 -5.181 -5.584 1.00 0.38 H new ATOM 0 HA ASN A 49 13.406 -3.809 -3.257 1.00 0.44 H new ATOM 0 HB2 ASN A 49 13.254 -6.208 -3.160 1.00 0.59 H new ATOM 0 HB3 ASN A 49 13.873 -6.389 -4.790 1.00 0.59 H new ATOM 0 HD21 ASN A 49 16.873 -7.343 -3.208 1.00 0.76 H new ATOM 0 HD22 ASN A 49 15.433 -7.860 -4.093 1.00 0.76 H new ATOM 756 N PRO A 50 15.308 -2.626 -4.330 1.00 0.46 N ATOM 757 CA PRO A 50 16.352 -1.804 -4.959 1.00 0.51 C ATOM 758 C PRO A 50 17.745 -2.428 -4.914 1.00 0.53 C ATOM 759 O PRO A 50 18.718 -1.811 -5.346 1.00 0.65 O ATOM 760 CB PRO A 50 16.340 -0.541 -4.106 1.00 0.64 C ATOM 761 CG PRO A 50 15.968 -1.022 -2.747 1.00 0.73 C ATOM 762 CD PRO A 50 15.023 -2.176 -2.952 1.00 0.55 C ATOM 0 HA PRO A 50 16.149 -1.659 -6.020 1.00 0.51 H new ATOM 0 HB2 PRO A 50 17.315 -0.053 -4.103 1.00 0.64 H new ATOM 0 HB3 PRO A 50 15.621 0.187 -4.482 1.00 0.64 H new ATOM 0 HG2 PRO A 50 16.851 -1.336 -2.191 1.00 0.73 H new ATOM 0 HG3 PRO A 50 15.493 -0.228 -2.170 1.00 0.73 H new ATOM 0 HD2 PRO A 50 15.199 -2.971 -2.227 1.00 0.55 H new ATOM 0 HD3 PRO A 50 13.984 -1.867 -2.839 1.00 0.55 H new ATOM 770 N TYR A 51 17.847 -3.640 -4.402 1.00 0.53 N ATOM 771 CA TYR A 51 19.136 -4.262 -4.215 1.00 0.68 C ATOM 772 C TYR A 51 19.179 -5.567 -4.976 1.00 0.88 C ATOM 773 O TYR A 51 18.188 -6.292 -5.036 1.00 1.88 O ATOM 774 CB TYR A 51 19.414 -4.495 -2.734 1.00 0.74 C ATOM 775 CG TYR A 51 20.886 -4.612 -2.419 1.00 0.88 C ATOM 776 CD1 TYR A 51 21.691 -3.489 -2.296 1.00 1.22 C ATOM 777 CD2 TYR A 51 21.467 -5.858 -2.234 1.00 1.06 C ATOM 778 CE1 TYR A 51 23.036 -3.609 -2.000 1.00 1.63 C ATOM 779 CE2 TYR A 51 22.807 -5.984 -1.938 1.00 1.36 C ATOM 780 CZ TYR A 51 23.601 -4.797 -1.859 1.00 1.64 C ATOM 781 OH TYR A 51 24.926 -4.987 -1.528 1.00 2.08 O ATOM 0 H TYR A 51 17.052 -4.209 -4.110 1.00 0.53 H new ATOM 0 HA TYR A 51 19.910 -3.598 -4.599 1.00 0.68 H new ATOM 0 HB2 TYR A 51 18.989 -3.673 -2.157 1.00 0.74 H new ATOM 0 HB3 TYR A 51 18.907 -5.405 -2.414 1.00 0.74 H new ATOM 0 HD1 TYR A 51 21.261 -2.508 -2.433 1.00 1.22 H new ATOM 0 HD2 TYR A 51 20.858 -6.745 -2.324 1.00 1.06 H new ATOM 0 HE1 TYR A 51 23.635 -2.718 -1.882 1.00 1.63 H new ATOM 0 HE2 TYR A 51 23.247 -6.956 -1.770 1.00 1.36 H new ATOM 0 HH TYR A 51 25.117 -5.947 -1.479 1.00 2.08 H new ATOM 791 N SER A 52 20.330 -5.875 -5.529 1.00 0.69 N ATOM 792 CA SER A 52 20.468 -6.978 -6.459 1.00 0.66 C ATOM 793 C SER A 52 20.544 -8.333 -5.751 1.00 0.65 C ATOM 794 O SER A 52 21.126 -9.287 -6.270 1.00 0.77 O ATOM 795 CB SER A 52 21.712 -6.722 -7.293 1.00 0.80 C ATOM 796 OG SER A 52 22.819 -6.418 -6.459 1.00 1.51 O ATOM 0 H SER A 52 21.198 -5.370 -5.349 1.00 0.69 H new ATOM 0 HA SER A 52 19.584 -7.029 -7.094 1.00 0.66 H new ATOM 0 HB2 SER A 52 21.937 -7.600 -7.899 1.00 0.80 H new ATOM 0 HB3 SER A 52 21.531 -5.897 -7.982 1.00 0.80 H new ATOM 0 HG SER A 52 23.612 -6.258 -7.013 1.00 1.51 H new ATOM 802 N HIS A 53 19.923 -8.424 -4.584 1.00 0.58 N ATOM 803 CA HIS A 53 19.876 -9.668 -3.834 1.00 0.66 C ATOM 804 C HIS A 53 18.527 -9.814 -3.150 1.00 0.65 C ATOM 805 O HIS A 53 18.026 -8.863 -2.546 1.00 1.08 O ATOM 806 CB HIS A 53 20.999 -9.736 -2.788 1.00 0.74 C ATOM 807 CG HIS A 53 22.374 -9.813 -3.380 1.00 0.95 C ATOM 808 ND1 HIS A 53 23.319 -8.828 -3.210 1.00 1.06 N ATOM 809 CD2 HIS A 53 22.954 -10.757 -4.157 1.00 1.41 C ATOM 810 CE1 HIS A 53 24.415 -9.156 -3.865 1.00 1.43 C ATOM 811 NE2 HIS A 53 24.223 -10.325 -4.444 1.00 1.67 N ATOM 0 H HIS A 53 19.442 -7.645 -4.135 1.00 0.58 H new ATOM 0 HA HIS A 53 20.018 -10.488 -4.538 1.00 0.66 H new ATOM 0 HB2 HIS A 53 20.939 -8.857 -2.146 1.00 0.74 H new ATOM 0 HB3 HIS A 53 20.838 -10.607 -2.152 1.00 0.74 H new ATOM 0 HD2 HIS A 53 22.501 -11.679 -4.489 1.00 1.41 H new ATOM 0 HE1 HIS A 53 25.318 -8.566 -3.918 1.00 1.43 H new ATOM 0 HE2 HIS A 53 24.906 -10.826 -5.012 1.00 1.67 H new ATOM 820 N SER A 54 17.932 -10.985 -3.322 1.00 0.55 N ATOM 821 CA SER A 54 16.734 -11.402 -2.619 1.00 0.51 C ATOM 822 C SER A 54 16.742 -11.004 -1.151 1.00 0.47 C ATOM 823 O SER A 54 17.276 -11.732 -0.345 1.00 0.51 O ATOM 824 CB SER A 54 16.670 -12.930 -2.700 1.00 0.61 C ATOM 825 OG SER A 54 16.919 -13.375 -4.026 1.00 1.39 O ATOM 0 H SER A 54 18.281 -11.689 -3.973 1.00 0.55 H new ATOM 0 HA SER A 54 15.877 -10.915 -3.083 1.00 0.51 H new ATOM 0 HB2 SER A 54 17.403 -13.366 -2.021 1.00 0.61 H new ATOM 0 HB3 SER A 54 15.689 -13.275 -2.374 1.00 0.61 H new ATOM 0 HG SER A 54 16.431 -12.807 -4.659 1.00 1.39 H new ATOM 831 N ILE A 55 16.061 -9.931 -0.771 1.00 0.44 N ATOM 832 CA ILE A 55 16.108 -9.506 0.627 1.00 0.49 C ATOM 833 C ILE A 55 15.261 -10.456 1.433 1.00 0.58 C ATOM 834 O ILE A 55 14.658 -11.335 0.861 1.00 1.03 O ATOM 835 CB ILE A 55 15.586 -8.069 0.851 1.00 0.49 C ATOM 836 CG1 ILE A 55 14.313 -7.806 0.048 1.00 0.47 C ATOM 837 CG2 ILE A 55 16.659 -7.046 0.524 1.00 0.48 C ATOM 838 CD1 ILE A 55 13.697 -6.449 0.307 1.00 0.56 C ATOM 0 H ILE A 55 15.487 -9.354 -1.385 1.00 0.44 H new ATOM 0 HA ILE A 55 17.153 -9.516 0.937 1.00 0.49 H new ATOM 0 HB ILE A 55 15.334 -7.969 1.907 1.00 0.49 H new ATOM 0 HG12 ILE A 55 14.540 -7.895 -1.014 1.00 0.47 H new ATOM 0 HG13 ILE A 55 13.580 -8.578 0.283 1.00 0.47 H new ATOM 0 HG21 ILE A 55 16.267 -6.042 0.690 1.00 0.48 H new ATOM 0 HG22 ILE A 55 17.524 -7.208 1.167 1.00 0.48 H new ATOM 0 HG23 ILE A 55 16.957 -7.152 -0.519 1.00 0.48 H new ATOM 0 HD11 ILE A 55 12.798 -6.336 -0.299 1.00 0.56 H new ATOM 0 HD12 ILE A 55 13.437 -6.363 1.362 1.00 0.56 H new ATOM 0 HD13 ILE A 55 14.412 -5.669 0.044 1.00 0.56 H new ATOM 850 N PRO A 56 15.280 -10.392 2.760 1.00 0.35 N ATOM 851 CA PRO A 56 14.513 -11.315 3.560 1.00 0.34 C ATOM 852 C PRO A 56 13.126 -10.812 3.939 1.00 0.30 C ATOM 853 O PRO A 56 12.117 -11.399 3.557 1.00 0.32 O ATOM 854 CB PRO A 56 15.364 -11.481 4.810 1.00 0.37 C ATOM 855 CG PRO A 56 16.356 -10.353 4.814 1.00 0.35 C ATOM 856 CD PRO A 56 16.084 -9.504 3.597 1.00 0.35 C ATOM 0 HA PRO A 56 14.320 -12.235 3.009 1.00 0.34 H new ATOM 0 HB2 PRO A 56 14.744 -11.453 5.706 1.00 0.37 H new ATOM 0 HB3 PRO A 56 15.874 -12.444 4.805 1.00 0.37 H new ATOM 0 HG2 PRO A 56 16.259 -9.761 5.724 1.00 0.35 H new ATOM 0 HG3 PRO A 56 17.375 -10.739 4.792 1.00 0.35 H new ATOM 0 HD2 PRO A 56 15.546 -8.591 3.852 1.00 0.35 H new ATOM 0 HD3 PRO A 56 17.006 -9.203 3.099 1.00 0.35 H new ATOM 864 N ILE A 57 13.072 -9.739 4.708 1.00 0.29 N ATOM 865 CA ILE A 57 11.825 -9.369 5.371 1.00 0.30 C ATOM 866 C ILE A 57 11.455 -7.915 5.109 1.00 0.27 C ATOM 867 O ILE A 57 12.319 -7.093 4.811 1.00 0.30 O ATOM 868 CB ILE A 57 11.946 -9.640 6.893 1.00 0.38 C ATOM 869 CG1 ILE A 57 12.234 -11.130 7.133 1.00 0.58 C ATOM 870 CG2 ILE A 57 10.689 -9.213 7.651 1.00 0.38 C ATOM 871 CD1 ILE A 57 11.053 -12.038 6.857 1.00 1.23 C ATOM 0 H ILE A 57 13.859 -9.116 4.890 1.00 0.29 H new ATOM 0 HA ILE A 57 11.023 -9.981 4.958 1.00 0.30 H new ATOM 0 HB ILE A 57 12.773 -9.042 7.275 1.00 0.38 H new ATOM 0 HG12 ILE A 57 13.069 -11.434 6.502 1.00 0.58 H new ATOM 0 HG13 ILE A 57 12.550 -11.266 8.167 1.00 0.58 H new ATOM 0 HG21 ILE A 57 10.817 -9.421 8.713 1.00 0.38 H new ATOM 0 HG22 ILE A 57 10.523 -8.145 7.507 1.00 0.38 H new ATOM 0 HG23 ILE A 57 9.830 -9.768 7.273 1.00 0.38 H new ATOM 0 HD11 ILE A 57 11.337 -13.073 7.050 1.00 1.23 H new ATOM 0 HD12 ILE A 57 10.222 -11.762 7.507 1.00 1.23 H new ATOM 0 HD13 ILE A 57 10.749 -11.933 5.816 1.00 1.23 H new ATOM 883 N CYS A 58 10.163 -7.608 5.196 1.00 0.26 N ATOM 884 CA CYS A 58 9.690 -6.262 4.979 1.00 0.24 C ATOM 885 C CYS A 58 8.424 -5.975 5.769 1.00 0.23 C ATOM 886 O CYS A 58 7.921 -6.808 6.523 1.00 0.25 O ATOM 887 CB CYS A 58 9.420 -6.015 3.499 1.00 0.26 C ATOM 888 SG CYS A 58 8.151 -7.082 2.780 1.00 1.15 S ATOM 0 H CYS A 58 9.430 -8.282 5.417 1.00 0.26 H new ATOM 0 HA CYS A 58 10.476 -5.591 5.325 1.00 0.24 H new ATOM 0 HB2 CYS A 58 9.121 -4.975 3.366 1.00 0.26 H new ATOM 0 HB3 CYS A 58 10.349 -6.153 2.945 1.00 0.26 H new ATOM 0 HG CYS A 58 7.972 -8.119 3.544 1.00 1.15 H new ATOM 894 N GLU A 59 7.937 -4.777 5.554 1.00 0.25 N ATOM 895 CA GLU A 59 6.733 -4.306 6.185 1.00 0.27 C ATOM 896 C GLU A 59 5.862 -3.610 5.169 1.00 0.29 C ATOM 897 O GLU A 59 6.256 -2.594 4.594 1.00 0.32 O ATOM 898 CB GLU A 59 7.069 -3.350 7.333 1.00 0.32 C ATOM 899 CG GLU A 59 5.852 -2.741 8.010 1.00 0.39 C ATOM 900 CD GLU A 59 6.219 -1.728 9.078 1.00 0.67 C ATOM 901 OE1 GLU A 59 6.500 -0.559 8.730 1.00 1.04 O ATOM 902 OE2 GLU A 59 6.211 -2.088 10.267 1.00 1.36 O ATOM 0 H GLU A 59 8.371 -4.097 4.930 1.00 0.25 H new ATOM 0 HA GLU A 59 6.193 -5.160 6.593 1.00 0.27 H new ATOM 0 HB2 GLU A 59 7.656 -3.887 8.079 1.00 0.32 H new ATOM 0 HB3 GLU A 59 7.698 -2.547 6.950 1.00 0.32 H new ATOM 0 HG2 GLU A 59 5.227 -2.259 7.258 1.00 0.39 H new ATOM 0 HG3 GLU A 59 5.256 -3.536 8.459 1.00 0.39 H new ATOM 909 N ILE A 60 4.701 -4.179 4.928 1.00 0.32 N ATOM 910 CA ILE A 60 3.697 -3.485 4.171 1.00 0.34 C ATOM 911 C ILE A 60 2.694 -2.847 5.118 1.00 0.31 C ATOM 912 O ILE A 60 1.914 -3.514 5.798 1.00 0.36 O ATOM 913 CB ILE A 60 3.003 -4.364 3.090 1.00 0.48 C ATOM 914 CG1 ILE A 60 3.186 -5.865 3.335 1.00 0.33 C ATOM 915 CG2 ILE A 60 3.543 -4.010 1.715 1.00 0.99 C ATOM 916 CD1 ILE A 60 2.212 -6.452 4.324 1.00 1.05 C ATOM 0 H ILE A 60 4.436 -5.112 5.244 1.00 0.32 H new ATOM 0 HA ILE A 60 4.203 -2.704 3.604 1.00 0.34 H new ATOM 0 HB ILE A 60 1.935 -4.153 3.149 1.00 0.48 H new ATOM 0 HG12 ILE A 60 3.085 -6.392 2.386 1.00 0.33 H new ATOM 0 HG13 ILE A 60 4.201 -6.043 3.692 1.00 0.33 H new ATOM 0 HG21 ILE A 60 3.054 -4.628 0.962 1.00 0.99 H new ATOM 0 HG22 ILE A 60 3.345 -2.959 1.506 1.00 0.99 H new ATOM 0 HG23 ILE A 60 4.618 -4.189 1.689 1.00 0.99 H new ATOM 0 HD11 ILE A 60 2.409 -7.518 4.440 1.00 1.05 H new ATOM 0 HD12 ILE A 60 2.327 -5.954 5.287 1.00 1.05 H new ATOM 0 HD13 ILE A 60 1.194 -6.309 3.961 1.00 1.05 H new ATOM 928 N SER A 61 2.778 -1.533 5.157 1.00 0.26 N ATOM 929 CA SER A 61 1.939 -0.731 6.022 1.00 0.25 C ATOM 930 C SER A 61 1.027 0.116 5.166 1.00 0.24 C ATOM 931 O SER A 61 1.441 1.122 4.605 1.00 0.24 O ATOM 932 CB SER A 61 2.784 0.126 6.972 1.00 0.29 C ATOM 933 OG SER A 61 3.752 0.892 6.278 1.00 0.83 O ATOM 0 H SER A 61 3.430 -0.991 4.590 1.00 0.26 H new ATOM 0 HA SER A 61 1.332 -1.383 6.650 1.00 0.25 H new ATOM 0 HB2 SER A 61 2.131 0.792 7.536 1.00 0.29 H new ATOM 0 HB3 SER A 61 3.283 -0.519 7.695 1.00 0.29 H new ATOM 0 HG SER A 61 4.314 0.298 5.738 1.00 0.83 H new ATOM 939 N PHE A 62 -0.219 -0.290 5.060 1.00 0.24 N ATOM 940 CA PHE A 62 -1.108 0.279 4.073 1.00 0.25 C ATOM 941 C PHE A 62 -2.154 1.127 4.746 1.00 0.26 C ATOM 942 O PHE A 62 -2.723 0.740 5.755 1.00 0.30 O ATOM 943 CB PHE A 62 -1.762 -0.829 3.246 1.00 0.27 C ATOM 944 CG PHE A 62 -2.171 -2.027 4.063 1.00 0.29 C ATOM 945 CD1 PHE A 62 -3.383 -2.037 4.736 1.00 0.31 C ATOM 946 CD2 PHE A 62 -1.352 -3.139 4.156 1.00 0.34 C ATOM 947 CE1 PHE A 62 -3.765 -3.131 5.486 1.00 0.37 C ATOM 948 CE2 PHE A 62 -1.731 -4.237 4.902 1.00 0.40 C ATOM 949 CZ PHE A 62 -2.913 -4.240 5.570 1.00 0.40 C ATOM 0 H PHE A 62 -0.639 -1.012 5.645 1.00 0.24 H new ATOM 0 HA PHE A 62 -0.529 0.912 3.401 1.00 0.25 H new ATOM 0 HB2 PHE A 62 -2.641 -0.425 2.743 1.00 0.27 H new ATOM 0 HB3 PHE A 62 -1.068 -1.149 2.469 1.00 0.27 H new ATOM 0 HD1 PHE A 62 -4.036 -1.179 4.673 1.00 0.31 H new ATOM 0 HD2 PHE A 62 -0.404 -3.148 3.638 1.00 0.34 H new ATOM 0 HE1 PHE A 62 -4.713 -3.132 6.004 1.00 0.37 H new ATOM 0 HE2 PHE A 62 -1.083 -5.099 4.955 1.00 0.40 H new ATOM 0 HZ PHE A 62 -3.196 -5.096 6.165 1.00 0.40 H new ATOM 959 N THR A 63 -2.352 2.298 4.205 1.00 0.25 N ATOM 960 CA THR A 63 -3.383 3.191 4.673 1.00 0.27 C ATOM 961 C THR A 63 -4.273 3.588 3.515 1.00 0.25 C ATOM 962 O THR A 63 -3.913 4.434 2.701 1.00 0.27 O ATOM 963 CB THR A 63 -2.790 4.452 5.320 1.00 0.32 C ATOM 964 OG1 THR A 63 -1.759 4.078 6.240 1.00 0.36 O ATOM 965 CG2 THR A 63 -3.866 5.244 6.052 1.00 0.38 C ATOM 0 H THR A 63 -1.804 2.663 3.426 1.00 0.25 H new ATOM 0 HA THR A 63 -3.964 2.665 5.431 1.00 0.27 H new ATOM 0 HB THR A 63 -2.373 5.082 4.534 1.00 0.32 H new ATOM 0 HG1 THR A 63 -1.380 4.883 6.651 1.00 0.36 H new ATOM 0 HG21 THR A 63 -3.422 6.132 6.502 1.00 0.38 H new ATOM 0 HG22 THR A 63 -4.641 5.544 5.346 1.00 0.38 H new ATOM 0 HG23 THR A 63 -4.307 4.624 6.833 1.00 0.38 H new ATOM 973 N PHE A 64 -5.418 2.956 3.431 1.00 0.24 N ATOM 974 CA PHE A 64 -6.375 3.275 2.401 1.00 0.24 C ATOM 975 C PHE A 64 -7.429 4.221 2.948 1.00 0.22 C ATOM 976 O PHE A 64 -7.772 4.165 4.126 1.00 0.23 O ATOM 977 CB PHE A 64 -7.056 2.020 1.865 1.00 0.27 C ATOM 978 CG PHE A 64 -6.373 1.381 0.695 1.00 0.43 C ATOM 979 CD1 PHE A 64 -6.581 1.845 -0.597 1.00 0.58 C ATOM 980 CD2 PHE A 64 -5.556 0.288 0.883 1.00 0.65 C ATOM 981 CE1 PHE A 64 -5.980 1.225 -1.669 1.00 0.84 C ATOM 982 CE2 PHE A 64 -4.948 -0.332 -0.185 1.00 0.90 C ATOM 983 CZ PHE A 64 -5.160 0.137 -1.460 1.00 0.96 C ATOM 0 H PHE A 64 -5.710 2.214 4.067 1.00 0.24 H new ATOM 0 HA PHE A 64 -5.835 3.751 1.583 1.00 0.24 H new ATOM 0 HB2 PHE A 64 -7.124 1.289 2.671 1.00 0.27 H new ATOM 0 HB3 PHE A 64 -8.076 2.273 1.577 1.00 0.27 H new ATOM 0 HD1 PHE A 64 -7.220 2.700 -0.762 1.00 0.58 H new ATOM 0 HD2 PHE A 64 -5.390 -0.088 1.882 1.00 0.65 H new ATOM 0 HE1 PHE A 64 -6.150 1.590 -2.671 1.00 0.84 H new ATOM 0 HE2 PHE A 64 -4.306 -1.185 -0.022 1.00 0.90 H new ATOM 0 HZ PHE A 64 -4.683 -0.348 -2.299 1.00 0.96 H new ATOM 993 N HIS A 65 -7.868 5.136 2.101 1.00 0.24 N ATOM 994 CA HIS A 65 -8.960 6.059 2.398 1.00 0.26 C ATOM 995 C HIS A 65 -9.713 6.316 1.114 1.00 0.24 C ATOM 996 O HIS A 65 -9.108 6.338 0.048 1.00 0.36 O ATOM 997 CB HIS A 65 -8.456 7.367 3.036 1.00 0.42 C ATOM 998 CG HIS A 65 -7.044 7.733 2.683 1.00 0.51 C ATOM 999 ND1 HIS A 65 -6.690 8.930 2.111 1.00 1.02 N ATOM 1000 CD2 HIS A 65 -5.891 7.050 2.874 1.00 0.53 C ATOM 1001 CE1 HIS A 65 -5.379 8.974 1.957 1.00 1.29 C ATOM 1002 NE2 HIS A 65 -4.867 7.843 2.414 1.00 1.02 N ATOM 0 H HIS A 65 -7.471 5.264 1.170 1.00 0.24 H new ATOM 0 HA HIS A 65 -9.626 5.612 3.136 1.00 0.26 H new ATOM 0 HB2 HIS A 65 -9.115 8.181 2.733 1.00 0.42 H new ATOM 0 HB3 HIS A 65 -8.535 7.281 4.120 1.00 0.42 H new ATOM 0 HD2 HIS A 65 -5.794 6.065 3.307 1.00 0.53 H new ATOM 0 HE1 HIS A 65 -4.820 9.794 1.531 1.00 1.29 H new ATOM 0 HE2 HIS A 65 -3.876 7.600 2.423 1.00 1.02 H new ATOM 1011 N SER A 66 -11.024 6.459 1.191 1.00 0.22 N ATOM 1012 CA SER A 66 -11.811 6.593 -0.020 1.00 0.25 C ATOM 1013 C SER A 66 -12.203 8.034 -0.268 1.00 0.24 C ATOM 1014 O SER A 66 -11.420 8.785 -0.840 1.00 0.30 O ATOM 1015 CB SER A 66 -13.038 5.702 0.028 1.00 0.38 C ATOM 1016 OG SER A 66 -13.765 5.758 -1.180 1.00 1.27 O ATOM 0 H SER A 66 -11.557 6.485 2.060 1.00 0.22 H new ATOM 0 HA SER A 66 -11.188 6.270 -0.854 1.00 0.25 H new ATOM 0 HB2 SER A 66 -12.735 4.674 0.224 1.00 0.38 H new ATOM 0 HB3 SER A 66 -13.679 6.008 0.854 1.00 0.38 H new ATOM 0 HG SER A 66 -13.705 4.894 -1.638 1.00 1.27 H new ATOM 1022 N ALA A 67 -13.392 8.440 0.187 1.00 0.24 N ATOM 1023 CA ALA A 67 -13.883 9.771 -0.104 1.00 0.28 C ATOM 1024 C ALA A 67 -12.895 10.797 0.404 1.00 0.30 C ATOM 1025 O ALA A 67 -12.417 11.643 -0.346 1.00 0.36 O ATOM 1026 CB ALA A 67 -15.250 9.980 0.524 1.00 0.32 C ATOM 0 H ALA A 67 -14.019 7.867 0.751 1.00 0.24 H new ATOM 0 HA ALA A 67 -13.988 9.888 -1.183 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -15.605 10.985 0.296 1.00 0.32 H new ATOM 0 HB2 ALA A 67 -15.951 9.248 0.123 1.00 0.32 H new ATOM 0 HB3 ALA A 67 -15.177 9.857 1.605 1.00 0.32 H new ATOM 1032 N GLY A 68 -12.615 10.749 1.699 1.00 0.29 N ATOM 1033 CA GLY A 68 -11.471 11.468 2.213 1.00 0.32 C ATOM 1034 C GLY A 68 -11.289 11.178 3.677 1.00 0.34 C ATOM 1035 O GLY A 68 -10.579 11.885 4.387 1.00 0.39 O ATOM 0 H GLY A 68 -13.153 10.231 2.394 1.00 0.29 H new ATOM 0 HA2 GLY A 68 -10.575 11.180 1.664 1.00 0.32 H new ATOM 0 HA3 GLY A 68 -11.607 12.539 2.061 1.00 0.32 H new ATOM 1039 N ARG A 69 -11.942 10.118 4.122 1.00 0.36 N ATOM 1040 CA ARG A 69 -11.961 9.767 5.524 1.00 0.46 C ATOM 1041 C ARG A 69 -10.948 8.673 5.813 1.00 0.52 C ATOM 1042 O ARG A 69 -9.914 8.915 6.431 1.00 1.08 O ATOM 1043 CB ARG A 69 -13.376 9.326 5.899 1.00 0.48 C ATOM 1044 CG ARG A 69 -13.975 8.315 4.933 1.00 0.47 C ATOM 1045 CD ARG A 69 -15.466 8.187 5.121 1.00 0.58 C ATOM 1046 NE ARG A 69 -16.113 9.493 5.036 1.00 0.55 N ATOM 1047 CZ ARG A 69 -16.735 10.099 6.048 1.00 1.05 C ATOM 1048 NH1 ARG A 69 -16.766 9.542 7.251 1.00 1.97 N ATOM 1049 NH2 ARG A 69 -17.292 11.286 5.857 1.00 1.04 N ATOM 0 H ARG A 69 -12.469 9.483 3.523 1.00 0.36 H new ATOM 0 HA ARG A 69 -11.684 10.632 6.127 1.00 0.46 H new ATOM 0 HB2 ARG A 69 -13.360 8.894 6.900 1.00 0.48 H new ATOM 0 HB3 ARG A 69 -14.022 10.203 5.941 1.00 0.48 H new ATOM 0 HG2 ARG A 69 -13.761 8.619 3.908 1.00 0.47 H new ATOM 0 HG3 ARG A 69 -13.504 7.344 5.083 1.00 0.47 H new ATOM 0 HD2 ARG A 69 -15.877 7.522 4.361 1.00 0.58 H new ATOM 0 HD3 ARG A 69 -15.677 7.734 6.089 1.00 0.58 H new ATOM 0 HE ARG A 69 -16.087 9.977 4.138 1.00 0.55 H new ATOM 0 HH11 ARG A 69 -16.312 8.642 7.408 1.00 1.97 H new ATOM 0 HH12 ARG A 69 -17.244 10.013 8.019 1.00 1.97 H new ATOM 0 HH21 ARG A 69 -17.243 11.731 4.940 1.00 1.04 H new ATOM 0 HH22 ARG A 69 -17.769 11.755 6.627 1.00 1.04 H new ATOM 1063 N GLU A 70 -11.241 7.485 5.318 1.00 0.52 N ATOM 1064 CA GLU A 70 -10.419 6.328 5.527 1.00 0.52 C ATOM 1065 C GLU A 70 -11.020 5.189 4.723 1.00 0.67 C ATOM 1066 O GLU A 70 -12.083 5.344 4.115 1.00 1.28 O ATOM 1067 CB GLU A 70 -10.368 5.966 7.017 1.00 0.66 C ATOM 1068 CG GLU A 70 -9.232 5.027 7.386 1.00 1.35 C ATOM 1069 CD GLU A 70 -9.193 4.711 8.865 1.00 1.91 C ATOM 1070 OE1 GLU A 70 -8.620 5.504 9.631 1.00 2.12 O ATOM 1071 OE2 GLU A 70 -9.754 3.670 9.271 1.00 2.61 O ATOM 0 H GLU A 70 -12.070 7.304 4.753 1.00 0.52 H new ATOM 0 HA GLU A 70 -9.397 6.524 5.204 1.00 0.52 H new ATOM 0 HB2 GLU A 70 -10.272 6.882 7.600 1.00 0.66 H new ATOM 0 HB3 GLU A 70 -11.314 5.505 7.301 1.00 0.66 H new ATOM 0 HG2 GLU A 70 -9.335 4.099 6.823 1.00 1.35 H new ATOM 0 HG3 GLU A 70 -8.284 5.476 7.089 1.00 1.35 H new ATOM 1078 N ILE A 71 -10.289 4.113 4.648 1.00 0.28 N ATOM 1079 CA ILE A 71 -10.770 2.846 4.142 1.00 0.28 C ATOM 1080 C ILE A 71 -10.266 1.747 5.062 1.00 0.29 C ATOM 1081 O ILE A 71 -10.991 0.818 5.405 1.00 0.33 O ATOM 1082 CB ILE A 71 -10.290 2.608 2.689 1.00 0.31 C ATOM 1083 CG1 ILE A 71 -11.264 3.224 1.693 1.00 0.37 C ATOM 1084 CG2 ILE A 71 -10.098 1.133 2.395 1.00 0.30 C ATOM 1085 CD1 ILE A 71 -12.619 2.557 1.691 1.00 0.40 C ATOM 0 H ILE A 71 -9.313 4.086 4.944 1.00 0.28 H new ATOM 0 HA ILE A 71 -11.860 2.847 4.123 1.00 0.28 H new ATOM 0 HB ILE A 71 -9.321 3.096 2.582 1.00 0.31 H new ATOM 0 HG12 ILE A 71 -11.388 4.282 1.924 1.00 0.37 H new ATOM 0 HG13 ILE A 71 -10.836 3.164 0.692 1.00 0.37 H new ATOM 0 HG21 ILE A 71 -9.761 1.008 1.366 1.00 0.30 H new ATOM 0 HG22 ILE A 71 -9.352 0.721 3.074 1.00 0.30 H new ATOM 0 HG23 ILE A 71 -11.043 0.608 2.533 1.00 0.30 H new ATOM 0 HD11 ILE A 71 -13.263 3.045 0.959 1.00 0.40 H new ATOM 0 HD12 ILE A 71 -12.506 1.505 1.431 1.00 0.40 H new ATOM 0 HD13 ILE A 71 -13.067 2.640 2.681 1.00 0.40 H new ATOM 1097 N GLY A 72 -9.020 1.893 5.487 1.00 0.29 N ATOM 1098 CA GLY A 72 -8.433 0.943 6.407 1.00 0.36 C ATOM 1099 C GLY A 72 -6.931 1.043 6.392 1.00 0.34 C ATOM 1100 O GLY A 72 -6.351 1.421 5.377 1.00 0.49 O ATOM 0 H GLY A 72 -8.403 2.656 5.209 1.00 0.29 H new ATOM 0 HA2 GLY A 72 -8.804 1.129 7.415 1.00 0.36 H new ATOM 0 HA3 GLY A 72 -8.737 -0.068 6.136 1.00 0.36 H new ATOM 1104 N LYS A 73 -6.287 0.717 7.497 1.00 0.36 N ATOM 1105 CA LYS A 73 -4.843 0.835 7.573 1.00 0.35 C ATOM 1106 C LYS A 73 -4.270 -0.172 8.562 1.00 0.39 C ATOM 1107 O LYS A 73 -4.963 -0.626 9.474 1.00 0.47 O ATOM 1108 CB LYS A 73 -4.415 2.262 7.954 1.00 0.44 C ATOM 1109 CG LYS A 73 -4.658 2.639 9.398 1.00 0.61 C ATOM 1110 CD LYS A 73 -6.105 3.020 9.648 1.00 0.68 C ATOM 1111 CE LYS A 73 -6.280 3.504 11.065 1.00 1.26 C ATOM 1112 NZ LYS A 73 -7.713 3.675 11.430 1.00 1.81 N ATOM 0 H LYS A 73 -6.735 0.372 8.346 1.00 0.36 H new ATOM 0 HA LYS A 73 -4.443 0.617 6.583 1.00 0.35 H new ATOM 0 HB2 LYS A 73 -3.353 2.376 7.738 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -4.947 2.967 7.316 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -4.386 1.803 10.042 1.00 0.61 H new ATOM 0 HG3 LYS A 73 -4.011 3.473 9.669 1.00 0.61 H new ATOM 0 HD2 LYS A 73 -6.409 3.800 8.950 1.00 0.68 H new ATOM 0 HD3 LYS A 73 -6.751 2.161 9.467 1.00 0.68 H new ATOM 0 HE2 LYS A 73 -5.815 2.794 11.749 1.00 1.26 H new ATOM 0 HE3 LYS A 73 -5.760 4.454 11.189 1.00 1.26 H new ATOM 0 HZ1 LYS A 73 -7.812 3.657 12.465 1.00 1.81 H new ATOM 0 HZ2 LYS A 73 -8.058 4.586 11.065 1.00 1.81 H new ATOM 0 HZ3 LYS A 73 -8.272 2.902 11.015 1.00 1.81 H new ATOM 1126 N GLY A 74 -3.013 -0.526 8.371 1.00 0.39 N ATOM 1127 CA GLY A 74 -2.366 -1.462 9.259 1.00 0.43 C ATOM 1128 C GLY A 74 -0.975 -1.814 8.800 1.00 0.34 C ATOM 1129 O GLY A 74 -0.531 -1.358 7.745 1.00 0.32 O ATOM 0 H GLY A 74 -2.426 -0.180 7.612 1.00 0.39 H new ATOM 0 HA2 GLY A 74 -2.319 -1.036 10.261 1.00 0.43 H new ATOM 0 HA3 GLY A 74 -2.965 -2.370 9.326 1.00 0.43 H new ATOM 1133 N LYS A 75 -0.295 -2.624 9.591 1.00 0.37 N ATOM 1134 CA LYS A 75 1.051 -3.060 9.282 1.00 0.37 C ATOM 1135 C LYS A 75 1.148 -4.567 9.364 1.00 0.39 C ATOM 1136 O LYS A 75 0.689 -5.172 10.333 1.00 0.50 O ATOM 1137 CB LYS A 75 2.063 -2.468 10.261 1.00 0.56 C ATOM 1138 CG LYS A 75 2.273 -0.977 10.127 1.00 0.84 C ATOM 1139 CD LYS A 75 3.506 -0.553 10.899 1.00 0.90 C ATOM 1140 CE LYS A 75 3.959 0.837 10.511 1.00 1.17 C ATOM 1141 NZ LYS A 75 5.391 1.056 10.846 1.00 1.72 N ATOM 0 H LYS A 75 -0.662 -2.997 10.466 1.00 0.37 H new ATOM 0 HA LYS A 75 1.276 -2.718 8.272 1.00 0.37 H new ATOM 0 HB2 LYS A 75 1.735 -2.685 11.277 1.00 0.56 H new ATOM 0 HB3 LYS A 75 3.020 -2.970 10.121 1.00 0.56 H new ATOM 0 HG2 LYS A 75 2.383 -0.711 9.076 1.00 0.84 H new ATOM 0 HG3 LYS A 75 1.399 -0.444 10.501 1.00 0.84 H new ATOM 0 HD2 LYS A 75 3.294 -0.581 11.968 1.00 0.90 H new ATOM 0 HD3 LYS A 75 4.312 -1.263 10.715 1.00 0.90 H new ATOM 0 HE2 LYS A 75 3.807 0.985 9.442 1.00 1.17 H new ATOM 0 HE3 LYS A 75 3.346 1.577 11.025 1.00 1.17 H new ATOM 0 HZ1 LYS A 75 5.593 2.076 10.858 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 5.594 0.651 11.782 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 5.989 0.594 10.132 1.00 1.72 H new ATOM 1155 N ILE A 76 1.748 -5.170 8.359 1.00 0.35 N ATOM 1156 CA ILE A 76 2.026 -6.591 8.389 1.00 0.39 C ATOM 1157 C ILE A 76 3.481 -6.833 7.996 1.00 0.34 C ATOM 1158 O ILE A 76 3.876 -6.581 6.856 1.00 0.35 O ATOM 1159 CB ILE A 76 1.088 -7.413 7.458 1.00 0.45 C ATOM 1160 CG1 ILE A 76 -0.333 -7.509 8.031 1.00 0.51 C ATOM 1161 CG2 ILE A 76 1.642 -8.814 7.225 1.00 0.56 C ATOM 1162 CD1 ILE A 76 -1.196 -6.295 7.768 1.00 0.73 C ATOM 0 H ILE A 76 2.053 -4.697 7.509 1.00 0.35 H new ATOM 0 HA ILE A 76 1.842 -6.933 9.407 1.00 0.39 H new ATOM 0 HB ILE A 76 1.041 -6.885 6.505 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -0.823 -8.386 7.609 1.00 0.51 H new ATOM 0 HG13 ILE A 76 -0.268 -7.667 9.108 1.00 0.51 H new ATOM 0 HG21 ILE A 76 0.968 -9.368 6.571 1.00 0.56 H new ATOM 0 HG22 ILE A 76 2.624 -8.744 6.758 1.00 0.56 H new ATOM 0 HG23 ILE A 76 1.730 -9.334 8.179 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -2.182 -6.448 8.207 1.00 0.73 H new ATOM 0 HD12 ILE A 76 -0.732 -5.415 8.214 1.00 0.73 H new ATOM 0 HD13 ILE A 76 -1.296 -6.146 6.693 1.00 0.73 H new ATOM 1174 N PRO A 77 4.314 -7.263 8.950 1.00 0.34 N ATOM 1175 CA PRO A 77 5.678 -7.698 8.657 1.00 0.32 C ATOM 1176 C PRO A 77 5.657 -8.985 7.846 1.00 0.33 C ATOM 1177 O PRO A 77 5.345 -10.057 8.373 1.00 0.44 O ATOM 1178 CB PRO A 77 6.302 -7.935 10.040 1.00 0.40 C ATOM 1179 CG PRO A 77 5.372 -7.286 11.011 1.00 0.57 C ATOM 1180 CD PRO A 77 4.009 -7.342 10.384 1.00 0.42 C ATOM 0 HA PRO A 77 6.238 -6.971 8.069 1.00 0.32 H new ATOM 0 HB2 PRO A 77 6.406 -9.000 10.247 1.00 0.40 H new ATOM 0 HB3 PRO A 77 7.300 -7.500 10.101 1.00 0.40 H new ATOM 0 HG2 PRO A 77 5.382 -7.807 11.968 1.00 0.57 H new ATOM 0 HG3 PRO A 77 5.669 -6.256 11.206 1.00 0.57 H new ATOM 0 HD2 PRO A 77 3.484 -8.263 10.637 1.00 0.42 H new ATOM 0 HD3 PRO A 77 3.378 -6.515 10.711 1.00 0.42 H new ATOM 1188 N ASP A 78 5.961 -8.879 6.562 1.00 0.30 N ATOM 1189 CA ASP A 78 5.819 -10.008 5.659 1.00 0.35 C ATOM 1190 C ASP A 78 7.172 -10.331 5.045 1.00 0.32 C ATOM 1191 O ASP A 78 7.993 -9.432 4.864 1.00 0.28 O ATOM 1192 CB ASP A 78 4.785 -9.670 4.571 1.00 0.39 C ATOM 1193 CG ASP A 78 4.241 -10.893 3.851 1.00 0.52 C ATOM 1194 OD1 ASP A 78 3.695 -11.793 4.523 1.00 0.79 O ATOM 1195 OD2 ASP A 78 4.365 -10.967 2.610 1.00 0.52 O ATOM 0 H ASP A 78 6.306 -8.025 6.124 1.00 0.30 H new ATOM 0 HA ASP A 78 5.467 -10.883 6.205 1.00 0.35 H new ATOM 0 HB2 ASP A 78 3.956 -9.127 5.025 1.00 0.39 H new ATOM 0 HB3 ASP A 78 5.242 -9.002 3.841 1.00 0.39 H new ATOM 1200 N PRO A 79 7.459 -11.614 4.774 1.00 0.39 N ATOM 1201 CA PRO A 79 8.700 -12.012 4.109 1.00 0.40 C ATOM 1202 C PRO A 79 8.817 -11.408 2.713 1.00 0.38 C ATOM 1203 O PRO A 79 8.324 -11.970 1.734 1.00 0.47 O ATOM 1204 CB PRO A 79 8.611 -13.541 4.033 1.00 0.52 C ATOM 1205 CG PRO A 79 7.599 -13.919 5.062 1.00 0.58 C ATOM 1206 CD PRO A 79 6.623 -12.779 5.113 1.00 0.49 C ATOM 0 HA PRO A 79 9.580 -11.663 4.650 1.00 0.40 H new ATOM 0 HB2 PRO A 79 8.306 -13.870 3.040 1.00 0.52 H new ATOM 0 HB3 PRO A 79 9.576 -14.004 4.240 1.00 0.52 H new ATOM 0 HG2 PRO A 79 7.099 -14.850 4.795 1.00 0.58 H new ATOM 0 HG3 PRO A 79 8.068 -14.076 6.033 1.00 0.58 H new ATOM 0 HD2 PRO A 79 5.808 -12.912 4.401 1.00 0.49 H new ATOM 0 HD3 PRO A 79 6.171 -12.678 6.100 1.00 0.49 H new ATOM 1214 N GLY A 80 9.446 -10.241 2.639 1.00 0.34 N ATOM 1215 CA GLY A 80 9.682 -9.587 1.366 1.00 0.40 C ATOM 1216 C GLY A 80 10.901 -10.142 0.667 1.00 0.35 C ATOM 1217 O GLY A 80 11.600 -9.431 -0.049 1.00 0.40 O ATOM 0 H GLY A 80 9.800 -9.731 3.448 1.00 0.34 H new ATOM 0 HA2 GLY A 80 8.808 -9.711 0.726 1.00 0.40 H new ATOM 0 HA3 GLY A 80 9.811 -8.516 1.526 1.00 0.40 H new ATOM 1221 N SER A 81 11.152 -11.416 0.898 1.00 0.34 N ATOM 1222 CA SER A 81 12.257 -12.113 0.288 1.00 0.36 C ATOM 1223 C SER A 81 11.940 -12.361 -1.188 1.00 0.37 C ATOM 1224 O SER A 81 10.942 -13.020 -1.501 1.00 0.43 O ATOM 1225 CB SER A 81 12.491 -13.420 1.058 1.00 0.41 C ATOM 1226 OG SER A 81 11.508 -14.391 0.742 1.00 0.62 O ATOM 0 H SER A 81 10.588 -11.996 1.519 1.00 0.34 H new ATOM 0 HA SER A 81 13.172 -11.522 0.333 1.00 0.36 H new ATOM 0 HB2 SER A 81 13.480 -13.811 0.821 1.00 0.41 H new ATOM 0 HB3 SER A 81 12.476 -13.220 2.129 1.00 0.41 H new ATOM 0 HG SER A 81 10.899 -14.031 0.064 1.00 0.62 H new ATOM 1232 N LEU A 82 12.761 -11.835 -2.109 1.00 0.37 N ATOM 1233 CA LEU A 82 12.290 -11.728 -3.507 1.00 0.39 C ATOM 1234 C LEU A 82 13.422 -11.766 -4.531 1.00 0.49 C ATOM 1235 O LEU A 82 14.536 -12.128 -4.207 1.00 0.82 O ATOM 1236 CB LEU A 82 11.462 -10.441 -3.701 1.00 0.36 C ATOM 1237 CG LEU A 82 12.256 -9.147 -3.908 1.00 0.52 C ATOM 1238 CD1 LEU A 82 11.314 -7.966 -4.085 1.00 1.10 C ATOM 1239 CD2 LEU A 82 13.198 -8.901 -2.749 1.00 1.08 C ATOM 0 H LEU A 82 13.705 -11.492 -1.932 1.00 0.37 H new ATOM 0 HA LEU A 82 11.668 -12.605 -3.684 1.00 0.39 H new ATOM 0 HB2 LEU A 82 10.807 -10.582 -4.561 1.00 0.36 H new ATOM 0 HB3 LEU A 82 10.820 -10.313 -2.829 1.00 0.36 H new ATOM 0 HG LEU A 82 12.851 -9.256 -4.814 1.00 0.52 H new ATOM 0 HD11 LEU A 82 11.895 -7.056 -4.231 1.00 1.10 H new ATOM 0 HD12 LEU A 82 10.679 -8.134 -4.955 1.00 1.10 H new ATOM 0 HD13 LEU A 82 10.692 -7.861 -3.196 1.00 1.10 H new ATOM 0 HD21 LEU A 82 13.750 -7.977 -2.919 1.00 1.08 H new ATOM 0 HD22 LEU A 82 12.625 -8.816 -1.826 1.00 1.08 H new ATOM 0 HD23 LEU A 82 13.898 -9.732 -2.666 1.00 1.08 H new ATOM 1251 N LYS A 83 13.113 -11.366 -5.770 1.00 0.40 N ATOM 1252 CA LYS A 83 14.047 -11.477 -6.892 1.00 0.46 C ATOM 1253 C LYS A 83 15.422 -10.871 -6.598 1.00 0.47 C ATOM 1254 O LYS A 83 16.299 -11.533 -6.038 1.00 0.63 O ATOM 1255 CB LYS A 83 13.480 -10.786 -8.134 1.00 0.52 C ATOM 1256 CG LYS A 83 12.120 -11.289 -8.584 1.00 0.58 C ATOM 1257 CD LYS A 83 11.759 -10.682 -9.924 1.00 0.68 C ATOM 1258 CE LYS A 83 10.389 -11.113 -10.405 1.00 1.08 C ATOM 1259 NZ LYS A 83 10.086 -10.541 -11.741 1.00 1.84 N ATOM 0 H LYS A 83 12.212 -10.958 -6.020 1.00 0.40 H new ATOM 0 HA LYS A 83 14.175 -12.546 -7.062 1.00 0.46 H new ATOM 0 HB2 LYS A 83 13.408 -9.717 -7.935 1.00 0.52 H new ATOM 0 HB3 LYS A 83 14.186 -10.910 -8.955 1.00 0.52 H new ATOM 0 HG2 LYS A 83 12.132 -12.376 -8.660 1.00 0.58 H new ATOM 0 HG3 LYS A 83 11.364 -11.030 -7.843 1.00 0.58 H new ATOM 0 HD2 LYS A 83 11.788 -9.595 -9.847 1.00 0.68 H new ATOM 0 HD3 LYS A 83 12.507 -10.969 -10.663 1.00 0.68 H new ATOM 0 HE2 LYS A 83 10.343 -12.201 -10.453 1.00 1.08 H new ATOM 0 HE3 LYS A 83 9.632 -10.793 -9.689 1.00 1.08 H new ATOM 0 HZ1 LYS A 83 9.055 -10.478 -11.866 1.00 1.84 H new ATOM 0 HZ2 LYS A 83 10.503 -9.591 -11.814 1.00 1.84 H new ATOM 0 HZ3 LYS A 83 10.487 -11.153 -12.480 1.00 1.84 H new ATOM 1273 N ALA A 84 15.579 -9.600 -6.973 1.00 0.47 N ATOM 1274 CA ALA A 84 16.865 -8.921 -6.991 1.00 0.50 C ATOM 1275 C ALA A 84 16.732 -7.706 -7.879 1.00 0.58 C ATOM 1276 O ALA A 84 16.555 -7.855 -9.089 1.00 0.99 O ATOM 1277 CB ALA A 84 17.972 -9.819 -7.535 1.00 0.56 C ATOM 0 H ALA A 84 14.803 -9.011 -7.276 1.00 0.47 H new ATOM 0 HA ALA A 84 17.135 -8.646 -5.971 1.00 0.50 H new ATOM 0 HB1 ALA A 84 18.916 -9.275 -7.532 1.00 0.56 H new ATOM 0 HB2 ALA A 84 18.062 -10.706 -6.908 1.00 0.56 H new ATOM 0 HB3 ALA A 84 17.729 -10.119 -8.554 1.00 0.56 H new ATOM 1283 N LYS A 85 16.784 -6.524 -7.269 1.00 0.49 N ATOM 1284 CA LYS A 85 16.622 -5.246 -7.969 1.00 0.54 C ATOM 1285 C LYS A 85 15.486 -5.301 -8.990 1.00 0.53 C ATOM 1286 O LYS A 85 15.606 -4.815 -10.115 1.00 0.61 O ATOM 1287 CB LYS A 85 17.947 -4.801 -8.608 1.00 0.65 C ATOM 1288 CG LYS A 85 18.512 -5.777 -9.614 1.00 1.07 C ATOM 1289 CD LYS A 85 19.922 -5.398 -10.014 1.00 1.25 C ATOM 1290 CE LYS A 85 20.589 -6.524 -10.782 1.00 1.60 C ATOM 1291 NZ LYS A 85 21.881 -6.105 -11.387 1.00 1.84 N ATOM 0 H LYS A 85 16.941 -6.422 -6.266 1.00 0.49 H new ATOM 0 HA LYS A 85 16.343 -4.494 -7.231 1.00 0.54 H new ATOM 0 HB2 LYS A 85 17.795 -3.839 -9.098 1.00 0.65 H new ATOM 0 HB3 LYS A 85 18.683 -4.644 -7.819 1.00 0.65 H new ATOM 0 HG2 LYS A 85 18.509 -6.782 -9.191 1.00 1.07 H new ATOM 0 HG3 LYS A 85 17.875 -5.802 -10.498 1.00 1.07 H new ATOM 0 HD2 LYS A 85 19.900 -4.497 -10.627 1.00 1.25 H new ATOM 0 HD3 LYS A 85 20.506 -5.164 -9.124 1.00 1.25 H new ATOM 0 HE2 LYS A 85 20.760 -7.367 -10.112 1.00 1.60 H new ATOM 0 HE3 LYS A 85 19.918 -6.872 -11.567 1.00 1.60 H new ATOM 0 HZ1 LYS A 85 22.300 -6.906 -11.901 1.00 1.84 H new ATOM 0 HZ2 LYS A 85 21.716 -5.318 -12.047 1.00 1.84 H new ATOM 0 HZ3 LYS A 85 22.532 -5.797 -10.637 1.00 1.84 H new ATOM 1305 N ASP A 86 14.362 -5.862 -8.564 1.00 0.48 N ATOM 1306 CA ASP A 86 13.235 -6.096 -9.461 1.00 0.46 C ATOM 1307 C ASP A 86 11.929 -6.056 -8.674 1.00 0.40 C ATOM 1308 O ASP A 86 11.928 -5.748 -7.481 1.00 0.38 O ATOM 1309 CB ASP A 86 13.397 -7.447 -10.175 1.00 0.49 C ATOM 1310 CG ASP A 86 12.579 -7.548 -11.456 1.00 0.53 C ATOM 1311 OD1 ASP A 86 13.099 -7.172 -12.526 1.00 0.64 O ATOM 1312 OD2 ASP A 86 11.420 -8.005 -11.395 1.00 0.55 O ATOM 0 H ASP A 86 14.205 -6.164 -7.602 1.00 0.48 H new ATOM 0 HA ASP A 86 13.211 -5.310 -10.216 1.00 0.46 H new ATOM 0 HB2 ASP A 86 14.450 -7.603 -10.410 1.00 0.49 H new ATOM 0 HB3 ASP A 86 13.100 -8.247 -9.497 1.00 0.49 H new ATOM 1317 N MET A 87 10.834 -6.408 -9.329 1.00 0.39 N ATOM 1318 CA MET A 87 9.513 -6.248 -8.751 1.00 0.35 C ATOM 1319 C MET A 87 8.833 -7.603 -8.592 1.00 0.34 C ATOM 1320 O MET A 87 8.652 -8.346 -9.557 1.00 0.37 O ATOM 1321 CB MET A 87 8.663 -5.314 -9.614 1.00 0.35 C ATOM 1322 CG MET A 87 7.410 -4.810 -8.915 1.00 0.35 C ATOM 1323 SD MET A 87 6.433 -3.698 -9.945 1.00 0.41 S ATOM 1324 CE MET A 87 7.610 -2.376 -10.227 1.00 1.35 C ATOM 0 H MET A 87 10.837 -6.809 -10.267 1.00 0.39 H new ATOM 0 HA MET A 87 9.618 -5.801 -7.763 1.00 0.35 H new ATOM 0 HB2 MET A 87 9.269 -4.460 -9.915 1.00 0.35 H new ATOM 0 HB3 MET A 87 8.375 -5.838 -10.525 1.00 0.35 H new ATOM 0 HG2 MET A 87 6.795 -5.661 -8.623 1.00 0.35 H new ATOM 0 HG3 MET A 87 7.694 -4.293 -7.998 1.00 0.35 H new ATOM 0 HE1 MET A 87 7.222 -1.448 -9.807 1.00 1.35 H new ATOM 0 HE2 MET A 87 8.557 -2.624 -9.748 1.00 1.35 H new ATOM 0 HE3 MET A 87 7.767 -2.251 -11.298 1.00 1.35 H new ATOM 1334 N THR A 88 8.466 -7.902 -7.365 1.00 0.31 N ATOM 1335 CA THR A 88 7.879 -9.179 -7.000 1.00 0.30 C ATOM 1336 C THR A 88 6.413 -8.995 -6.596 1.00 0.27 C ATOM 1337 O THR A 88 6.060 -7.988 -5.989 1.00 0.27 O ATOM 1338 CB THR A 88 8.686 -9.808 -5.840 1.00 0.32 C ATOM 1339 OG1 THR A 88 9.410 -10.955 -6.305 1.00 0.77 O ATOM 1340 CG2 THR A 88 7.791 -10.184 -4.663 1.00 0.54 C ATOM 0 H THR A 88 8.567 -7.258 -6.580 1.00 0.31 H new ATOM 0 HA THR A 88 7.914 -9.848 -7.860 1.00 0.30 H new ATOM 0 HB THR A 88 9.393 -9.058 -5.485 1.00 0.32 H new ATOM 0 HG1 THR A 88 9.362 -11.667 -5.633 1.00 0.77 H new ATOM 0 HG21 THR A 88 8.397 -10.622 -3.870 1.00 0.54 H new ATOM 0 HG22 THR A 88 7.291 -9.292 -4.286 1.00 0.54 H new ATOM 0 HG23 THR A 88 7.044 -10.907 -4.990 1.00 0.54 H new ATOM 1348 N ALA A 89 5.560 -9.952 -6.935 1.00 0.27 N ATOM 1349 CA ALA A 89 4.157 -9.855 -6.569 1.00 0.28 C ATOM 1350 C ALA A 89 3.953 -10.217 -5.098 1.00 0.29 C ATOM 1351 O ALA A 89 4.428 -11.244 -4.615 1.00 0.48 O ATOM 1352 CB ALA A 89 3.293 -10.721 -7.469 1.00 0.31 C ATOM 0 H ALA A 89 5.811 -10.792 -7.455 1.00 0.27 H new ATOM 0 HA ALA A 89 3.845 -8.820 -6.709 1.00 0.28 H new ATOM 0 HB1 ALA A 89 2.249 -10.627 -7.171 1.00 0.31 H new ATOM 0 HB2 ALA A 89 3.405 -10.396 -8.503 1.00 0.31 H new ATOM 0 HB3 ALA A 89 3.604 -11.762 -7.380 1.00 0.31 H new ATOM 1358 N LEU A 90 3.239 -9.348 -4.412 1.00 0.27 N ATOM 1359 CA LEU A 90 2.994 -9.438 -2.979 1.00 0.30 C ATOM 1360 C LEU A 90 1.477 -9.392 -2.787 1.00 0.29 C ATOM 1361 O LEU A 90 0.786 -8.764 -3.582 1.00 0.32 O ATOM 1362 CB LEU A 90 3.695 -8.227 -2.325 1.00 0.35 C ATOM 1363 CG LEU A 90 3.890 -8.194 -0.796 1.00 0.40 C ATOM 1364 CD1 LEU A 90 2.576 -8.137 -0.040 1.00 0.77 C ATOM 1365 CD2 LEU A 90 4.733 -9.363 -0.334 1.00 0.72 C ATOM 0 H LEU A 90 2.799 -8.535 -4.844 1.00 0.27 H new ATOM 0 HA LEU A 90 3.379 -10.351 -2.526 1.00 0.30 H new ATOM 0 HB2 LEU A 90 4.681 -8.135 -2.781 1.00 0.35 H new ATOM 0 HB3 LEU A 90 3.131 -7.336 -2.601 1.00 0.35 H new ATOM 0 HG LEU A 90 4.422 -7.271 -0.566 1.00 0.40 H new ATOM 0 HD11 LEU A 90 2.773 -8.116 1.032 1.00 0.77 H new ATOM 0 HD12 LEU A 90 2.030 -7.238 -0.326 1.00 0.77 H new ATOM 0 HD13 LEU A 90 1.979 -9.016 -0.281 1.00 0.77 H new ATOM 0 HD21 LEU A 90 4.856 -9.318 0.748 1.00 0.72 H new ATOM 0 HD22 LEU A 90 4.240 -10.297 -0.604 1.00 0.72 H new ATOM 0 HD23 LEU A 90 5.711 -9.318 -0.813 1.00 0.72 H new ATOM 1377 N ASP A 91 0.934 -10.056 -1.786 1.00 0.35 N ATOM 1378 CA ASP A 91 -0.507 -10.001 -1.598 1.00 0.43 C ATOM 1379 C ASP A 91 -0.870 -9.516 -0.207 1.00 0.43 C ATOM 1380 O ASP A 91 -0.415 -10.054 0.803 1.00 0.52 O ATOM 1381 CB ASP A 91 -1.183 -11.345 -1.914 1.00 0.63 C ATOM 1382 CG ASP A 91 -0.666 -12.508 -1.093 1.00 1.07 C ATOM 1383 OD1 ASP A 91 0.328 -13.143 -1.514 1.00 1.81 O ATOM 1384 OD2 ASP A 91 -1.274 -12.819 -0.048 1.00 1.67 O ATOM 0 H ASP A 91 1.445 -10.623 -1.109 1.00 0.35 H new ATOM 0 HA ASP A 91 -0.890 -9.273 -2.313 1.00 0.43 H new ATOM 0 HB2 ASP A 91 -2.256 -11.247 -1.749 1.00 0.63 H new ATOM 0 HB3 ASP A 91 -1.042 -11.570 -2.971 1.00 0.63 H new ATOM 1389 N ILE A 92 -1.658 -8.452 -0.178 1.00 0.39 N ATOM 1390 CA ILE A 92 -2.208 -7.936 1.053 1.00 0.38 C ATOM 1391 C ILE A 92 -3.554 -8.596 1.311 1.00 0.38 C ATOM 1392 O ILE A 92 -4.249 -8.954 0.360 1.00 0.54 O ATOM 1393 CB ILE A 92 -2.344 -6.384 1.004 1.00 0.43 C ATOM 1394 CG1 ILE A 92 -1.203 -5.740 1.786 1.00 0.52 C ATOM 1395 CG2 ILE A 92 -3.687 -5.900 1.541 1.00 0.52 C ATOM 1396 CD1 ILE A 92 0.158 -5.892 1.151 1.00 0.65 C ATOM 0 H ILE A 92 -1.930 -7.927 -1.009 1.00 0.39 H new ATOM 0 HA ILE A 92 -1.529 -8.171 1.873 1.00 0.38 H new ATOM 0 HB ILE A 92 -2.291 -6.085 -0.043 1.00 0.43 H new ATOM 0 HG12 ILE A 92 -1.417 -4.678 1.907 1.00 0.52 H new ATOM 0 HG13 ILE A 92 -1.174 -6.175 2.785 1.00 0.52 H new ATOM 0 HG21 ILE A 92 -3.731 -4.812 1.485 1.00 0.52 H new ATOM 0 HG22 ILE A 92 -4.493 -6.327 0.944 1.00 0.52 H new ATOM 0 HG23 ILE A 92 -3.799 -6.214 2.579 1.00 0.52 H new ATOM 0 HD11 ILE A 92 0.907 -5.404 1.775 1.00 0.65 H new ATOM 0 HD12 ILE A 92 0.399 -6.951 1.056 1.00 0.65 H new ATOM 0 HD13 ILE A 92 0.152 -5.431 0.163 1.00 0.65 H new ATOM 1408 N PRO A 93 -3.889 -8.815 2.600 1.00 0.41 N ATOM 1409 CA PRO A 93 -5.172 -9.391 3.033 1.00 0.55 C ATOM 1410 C PRO A 93 -6.392 -8.660 2.457 1.00 0.61 C ATOM 1411 O PRO A 93 -6.575 -8.625 1.248 1.00 1.07 O ATOM 1412 CB PRO A 93 -5.119 -9.256 4.559 1.00 0.67 C ATOM 1413 CG PRO A 93 -3.668 -9.260 4.881 1.00 0.70 C ATOM 1414 CD PRO A 93 -3.006 -8.539 3.743 1.00 0.52 C ATOM 0 HA PRO A 93 -5.292 -10.416 2.683 1.00 0.55 H new ATOM 0 HB2 PRO A 93 -5.598 -8.335 4.893 1.00 0.67 H new ATOM 0 HB3 PRO A 93 -5.637 -10.081 5.049 1.00 0.67 H new ATOM 0 HG2 PRO A 93 -3.475 -8.759 5.829 1.00 0.70 H new ATOM 0 HG3 PRO A 93 -3.289 -10.278 4.975 1.00 0.70 H new ATOM 0 HD2 PRO A 93 -2.925 -7.470 3.938 1.00 0.52 H new ATOM 0 HD3 PRO A 93 -1.996 -8.908 3.568 1.00 0.52 H new ATOM 1422 N VAL A 94 -7.229 -8.082 3.322 1.00 0.38 N ATOM 1423 CA VAL A 94 -8.504 -7.514 2.896 1.00 0.34 C ATOM 1424 C VAL A 94 -9.078 -6.556 3.960 1.00 0.34 C ATOM 1425 O VAL A 94 -9.796 -6.996 4.810 1.00 0.36 O ATOM 1426 CB VAL A 94 -9.541 -8.665 2.672 1.00 0.36 C ATOM 1427 CG1 VAL A 94 -9.399 -9.335 1.316 1.00 0.42 C ATOM 1428 CG2 VAL A 94 -9.424 -9.720 3.770 1.00 0.46 C ATOM 0 H VAL A 94 -7.044 -7.996 4.321 1.00 0.38 H new ATOM 0 HA VAL A 94 -8.327 -6.960 1.974 1.00 0.34 H new ATOM 0 HB VAL A 94 -10.525 -8.197 2.708 1.00 0.36 H new ATOM 0 HG11 VAL A 94 -10.145 -10.124 1.220 1.00 0.42 H new ATOM 0 HG12 VAL A 94 -9.548 -8.597 0.528 1.00 0.42 H new ATOM 0 HG13 VAL A 94 -8.402 -9.766 1.226 1.00 0.42 H new ATOM 0 HG21 VAL A 94 -10.154 -10.510 3.594 1.00 0.46 H new ATOM 0 HG22 VAL A 94 -8.420 -10.145 3.761 1.00 0.46 H new ATOM 0 HG23 VAL A 94 -9.614 -9.259 4.739 1.00 0.46 H new ATOM 1438 N VAL A 95 -8.840 -5.242 3.911 1.00 0.35 N ATOM 1439 CA VAL A 95 -9.283 -4.409 5.054 1.00 0.35 C ATOM 1440 C VAL A 95 -10.112 -3.155 4.696 1.00 0.36 C ATOM 1441 O VAL A 95 -9.580 -2.149 4.232 1.00 0.44 O ATOM 1442 CB VAL A 95 -8.084 -3.996 5.942 1.00 0.42 C ATOM 1443 CG1 VAL A 95 -7.098 -3.110 5.193 1.00 0.48 C ATOM 1444 CG2 VAL A 95 -8.567 -3.311 7.208 1.00 0.45 C ATOM 0 H VAL A 95 -8.375 -4.748 3.149 1.00 0.35 H new ATOM 0 HA VAL A 95 -9.964 -5.064 5.598 1.00 0.35 H new ATOM 0 HB VAL A 95 -7.554 -4.908 6.218 1.00 0.42 H new ATOM 0 HG11 VAL A 95 -6.273 -2.844 5.854 1.00 0.48 H new ATOM 0 HG12 VAL A 95 -6.711 -3.647 4.327 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -7.603 -2.203 4.861 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -7.709 -3.028 7.819 1.00 0.45 H new ATOM 0 HG22 VAL A 95 -9.135 -2.419 6.945 1.00 0.45 H new ATOM 0 HG23 VAL A 95 -9.204 -3.994 7.771 1.00 0.45 H new ATOM 1454 N VAL A 96 -11.426 -3.211 4.900 1.00 0.34 N ATOM 1455 CA VAL A 96 -12.227 -1.985 4.951 1.00 0.34 C ATOM 1456 C VAL A 96 -13.487 -2.154 5.807 1.00 0.36 C ATOM 1457 O VAL A 96 -14.512 -2.633 5.323 1.00 0.47 O ATOM 1458 CB VAL A 96 -12.593 -1.450 3.550 1.00 0.45 C ATOM 1459 CG1 VAL A 96 -13.145 -2.546 2.663 1.00 1.02 C ATOM 1460 CG2 VAL A 96 -13.570 -0.289 3.664 1.00 1.07 C ATOM 0 H VAL A 96 -11.954 -4.074 5.031 1.00 0.34 H new ATOM 0 HA VAL A 96 -11.590 -1.240 5.428 1.00 0.34 H new ATOM 0 HB VAL A 96 -11.680 -1.085 3.079 1.00 0.45 H new ATOM 0 HG11 VAL A 96 -13.392 -2.133 1.685 1.00 1.02 H new ATOM 0 HG12 VAL A 96 -12.398 -3.331 2.547 1.00 1.02 H new ATOM 0 HG13 VAL A 96 -14.043 -2.964 3.117 1.00 1.02 H new ATOM 0 HG21 VAL A 96 -13.818 0.077 2.668 1.00 1.07 H new ATOM 0 HG22 VAL A 96 -14.478 -0.626 4.164 1.00 1.07 H new ATOM 0 HG23 VAL A 96 -13.114 0.515 4.243 1.00 1.07 H new ATOM 1470 N PRO A 97 -13.454 -1.736 7.082 1.00 0.34 N ATOM 1471 CA PRO A 97 -14.611 -1.873 7.970 1.00 0.36 C ATOM 1472 C PRO A 97 -15.906 -1.413 7.303 1.00 0.33 C ATOM 1473 O PRO A 97 -15.931 -0.382 6.627 1.00 0.34 O ATOM 1474 CB PRO A 97 -14.253 -0.982 9.156 1.00 0.41 C ATOM 1475 CG PRO A 97 -12.763 -0.985 9.191 1.00 0.48 C ATOM 1476 CD PRO A 97 -12.306 -1.105 7.758 1.00 0.36 C ATOM 0 HA PRO A 97 -14.798 -2.909 8.251 1.00 0.36 H new ATOM 0 HB2 PRO A 97 -14.645 0.027 9.026 1.00 0.41 H new ATOM 0 HB3 PRO A 97 -14.672 -1.370 10.084 1.00 0.41 H new ATOM 0 HG2 PRO A 97 -12.383 -0.070 9.645 1.00 0.48 H new ATOM 0 HG3 PRO A 97 -12.390 -1.816 9.789 1.00 0.48 H new ATOM 0 HD2 PRO A 97 -12.073 -0.131 7.328 1.00 0.36 H new ATOM 0 HD3 PRO A 97 -11.406 -1.714 7.673 1.00 0.36 H new ATOM 1484 N TYR A 98 -16.974 -2.194 7.489 1.00 0.35 N ATOM 1485 CA TYR A 98 -18.251 -1.944 6.817 1.00 0.37 C ATOM 1486 C TYR A 98 -18.695 -0.494 7.022 1.00 0.36 C ATOM 1487 O TYR A 98 -19.165 0.157 6.089 1.00 0.39 O ATOM 1488 CB TYR A 98 -19.331 -2.948 7.312 1.00 0.47 C ATOM 1489 CG TYR A 98 -20.763 -2.589 6.937 1.00 0.60 C ATOM 1490 CD1 TYR A 98 -21.049 -2.011 5.704 1.00 1.04 C ATOM 1491 CD2 TYR A 98 -21.827 -2.840 7.798 1.00 0.90 C ATOM 1492 CE1 TYR A 98 -22.345 -1.698 5.343 1.00 1.23 C ATOM 1493 CE2 TYR A 98 -23.127 -2.529 7.443 1.00 1.06 C ATOM 1494 CZ TYR A 98 -23.384 -1.902 6.286 1.00 1.08 C ATOM 1495 OH TYR A 98 -24.671 -1.648 5.854 1.00 1.31 O ATOM 0 H TYR A 98 -16.978 -3.009 8.103 1.00 0.35 H new ATOM 0 HA TYR A 98 -18.119 -2.098 5.746 1.00 0.37 H new ATOM 0 HB2 TYR A 98 -19.102 -3.934 6.908 1.00 0.47 H new ATOM 0 HB3 TYR A 98 -19.264 -3.025 8.397 1.00 0.47 H new ATOM 0 HD1 TYR A 98 -20.243 -1.803 5.016 1.00 1.04 H new ATOM 0 HD2 TYR A 98 -21.634 -3.286 8.762 1.00 0.90 H new ATOM 0 HE1 TYR A 98 -22.563 -1.305 4.361 1.00 1.23 H new ATOM 0 HE2 TYR A 98 -23.941 -2.793 8.102 1.00 1.06 H new ATOM 0 HH TYR A 98 -25.301 -1.823 6.584 1.00 1.31 H new ATOM 1505 N SER A 99 -18.484 0.024 8.221 1.00 0.37 N ATOM 1506 CA SER A 99 -18.885 1.383 8.550 1.00 0.41 C ATOM 1507 C SER A 99 -18.147 2.419 7.694 1.00 0.38 C ATOM 1508 O SER A 99 -18.648 3.519 7.477 1.00 0.39 O ATOM 1509 CB SER A 99 -18.641 1.655 10.035 1.00 0.50 C ATOM 1510 OG SER A 99 -19.264 0.664 10.836 1.00 1.20 O ATOM 0 H SER A 99 -18.035 -0.479 8.986 1.00 0.37 H new ATOM 0 HA SER A 99 -19.949 1.477 8.333 1.00 0.41 H new ATOM 0 HB2 SER A 99 -17.570 1.671 10.235 1.00 0.50 H new ATOM 0 HB3 SER A 99 -19.029 2.639 10.298 1.00 0.50 H new ATOM 0 HG SER A 99 -19.095 0.854 11.782 1.00 1.20 H new ATOM 1516 N ILE A 100 -16.969 2.078 7.193 1.00 0.36 N ATOM 1517 CA ILE A 100 -16.160 3.054 6.477 1.00 0.37 C ATOM 1518 C ILE A 100 -16.689 3.288 5.060 1.00 0.34 C ATOM 1519 O ILE A 100 -17.007 4.423 4.696 1.00 0.36 O ATOM 1520 CB ILE A 100 -14.685 2.626 6.402 1.00 0.41 C ATOM 1521 CG1 ILE A 100 -14.175 2.182 7.776 1.00 0.45 C ATOM 1522 CG2 ILE A 100 -13.856 3.775 5.877 1.00 0.48 C ATOM 1523 CD1 ILE A 100 -14.426 3.183 8.882 1.00 0.51 C ATOM 0 H ILE A 100 -16.556 1.148 7.267 1.00 0.36 H new ATOM 0 HA ILE A 100 -16.228 3.984 7.041 1.00 0.37 H new ATOM 0 HB ILE A 100 -14.597 1.777 5.724 1.00 0.41 H new ATOM 0 HG12 ILE A 100 -14.651 1.238 8.040 1.00 0.45 H new ATOM 0 HG13 ILE A 100 -13.104 1.991 7.710 1.00 0.45 H new ATOM 0 HG21 ILE A 100 -12.810 3.474 5.823 1.00 0.48 H new ATOM 0 HG22 ILE A 100 -14.206 4.051 4.882 1.00 0.48 H new ATOM 0 HG23 ILE A 100 -13.953 4.630 6.546 1.00 0.48 H new ATOM 0 HD11 ILE A 100 -14.035 2.793 9.822 1.00 0.51 H new ATOM 0 HD12 ILE A 100 -13.926 4.122 8.643 1.00 0.51 H new ATOM 0 HD13 ILE A 100 -15.498 3.357 8.979 1.00 0.51 H new ATOM 1535 N LEU A 101 -16.788 2.210 4.274 1.00 0.33 N ATOM 1536 CA LEU A 101 -17.458 2.254 2.963 1.00 0.34 C ATOM 1537 C LEU A 101 -18.859 2.820 3.116 1.00 0.34 C ATOM 1538 O LEU A 101 -19.402 3.450 2.216 1.00 0.36 O ATOM 1539 CB LEU A 101 -17.543 0.864 2.330 1.00 0.35 C ATOM 1540 CG LEU A 101 -16.241 0.316 1.741 1.00 0.41 C ATOM 1541 CD1 LEU A 101 -16.470 -1.064 1.159 1.00 0.89 C ATOM 1542 CD2 LEU A 101 -15.697 1.242 0.669 1.00 1.00 C ATOM 0 H LEU A 101 -16.413 1.294 4.521 1.00 0.33 H new ATOM 0 HA LEU A 101 -16.866 2.895 2.310 1.00 0.34 H new ATOM 0 HB2 LEU A 101 -17.900 0.164 3.085 1.00 0.35 H new ATOM 0 HB3 LEU A 101 -18.293 0.891 1.540 1.00 0.35 H new ATOM 0 HG LEU A 101 -15.508 0.251 2.545 1.00 0.41 H new ATOM 0 HD11 LEU A 101 -15.536 -1.443 0.743 1.00 0.89 H new ATOM 0 HD12 LEU A 101 -16.817 -1.737 1.943 1.00 0.89 H new ATOM 0 HD13 LEU A 101 -17.221 -1.007 0.371 1.00 0.89 H new ATOM 0 HD21 LEU A 101 -14.772 0.829 0.267 1.00 1.00 H new ATOM 0 HD22 LEU A 101 -16.429 1.340 -0.133 1.00 1.00 H new ATOM 0 HD23 LEU A 101 -15.499 2.223 1.102 1.00 1.00 H new ATOM 1554 N PHE A 102 -19.389 2.611 4.297 1.00 0.34 N ATOM 1555 CA PHE A 102 -20.728 3.052 4.621 1.00 0.36 C ATOM 1556 C PHE A 102 -20.792 4.570 4.527 1.00 0.35 C ATOM 1557 O PHE A 102 -21.728 5.120 3.973 1.00 0.36 O ATOM 1558 CB PHE A 102 -21.149 2.566 6.009 1.00 0.42 C ATOM 1559 CG PHE A 102 -22.528 2.992 6.409 1.00 0.57 C ATOM 1560 CD1 PHE A 102 -23.635 2.585 5.682 1.00 0.74 C ATOM 1561 CD2 PHE A 102 -22.717 3.796 7.517 1.00 0.80 C ATOM 1562 CE1 PHE A 102 -24.907 2.974 6.053 1.00 0.90 C ATOM 1563 CE2 PHE A 102 -23.987 4.189 7.897 1.00 0.96 C ATOM 1564 CZ PHE A 102 -25.084 3.777 7.163 1.00 0.94 C ATOM 0 H PHE A 102 -18.908 2.133 5.059 1.00 0.34 H new ATOM 0 HA PHE A 102 -21.428 2.621 3.906 1.00 0.36 H new ATOM 0 HB2 PHE A 102 -21.094 1.478 6.034 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -20.437 2.938 6.745 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -23.501 1.956 4.814 1.00 0.74 H new ATOM 0 HD2 PHE A 102 -21.863 4.121 8.093 1.00 0.80 H new ATOM 0 HE1 PHE A 102 -25.761 2.651 5.477 1.00 0.90 H new ATOM 0 HE2 PHE A 102 -24.122 4.817 8.766 1.00 0.96 H new ATOM 0 HZ PHE A 102 -26.077 4.082 7.457 1.00 0.94 H new ATOM 1574 N ASN A 103 -19.765 5.237 5.027 1.00 0.36 N ATOM 1575 CA ASN A 103 -19.699 6.694 4.975 1.00 0.38 C ATOM 1576 C ASN A 103 -19.379 7.203 3.565 1.00 0.36 C ATOM 1577 O ASN A 103 -20.144 7.972 2.987 1.00 0.38 O ATOM 1578 CB ASN A 103 -18.635 7.198 5.945 1.00 0.43 C ATOM 1579 CG ASN A 103 -19.076 7.195 7.399 1.00 0.49 C ATOM 1580 OD1 ASN A 103 -19.585 8.191 7.906 1.00 0.82 O ATOM 1581 ND2 ASN A 103 -18.887 6.079 8.081 1.00 0.49 N ATOM 0 H ASN A 103 -18.963 4.795 5.475 1.00 0.36 H new ATOM 0 HA ASN A 103 -20.680 7.077 5.258 1.00 0.38 H new ATOM 0 HB2 ASN A 103 -17.744 6.579 5.845 1.00 0.43 H new ATOM 0 HB3 ASN A 103 -18.352 8.212 5.664 1.00 0.43 H new ATOM 0 HD21 ASN A 103 -19.167 6.026 9.060 1.00 0.49 H new ATOM 0 HD22 ASN A 103 -18.461 5.270 7.628 1.00 0.49 H new ATOM 1588 N LEU A 104 -18.249 6.763 3.013 1.00 0.36 N ATOM 1589 CA LEU A 104 -17.795 7.231 1.702 1.00 0.39 C ATOM 1590 C LEU A 104 -18.783 6.919 0.570 1.00 0.37 C ATOM 1591 O LEU A 104 -19.123 7.803 -0.210 1.00 0.40 O ATOM 1592 CB LEU A 104 -16.421 6.638 1.399 1.00 0.45 C ATOM 1593 CG LEU A 104 -16.339 5.121 1.510 1.00 0.51 C ATOM 1594 CD1 LEU A 104 -16.361 4.483 0.132 1.00 0.55 C ATOM 1595 CD2 LEU A 104 -15.103 4.713 2.289 1.00 0.65 C ATOM 0 H LEU A 104 -17.630 6.082 3.453 1.00 0.36 H new ATOM 0 HA LEU A 104 -17.731 8.318 1.751 1.00 0.39 H new ATOM 0 HB2 LEU A 104 -16.130 6.930 0.390 1.00 0.45 H new ATOM 0 HB3 LEU A 104 -15.693 7.078 2.081 1.00 0.45 H new ATOM 0 HG LEU A 104 -17.212 4.762 2.056 1.00 0.51 H new ATOM 0 HD11 LEU A 104 -16.302 3.399 0.232 1.00 0.55 H new ATOM 0 HD12 LEU A 104 -17.287 4.750 -0.378 1.00 0.55 H new ATOM 0 HD13 LEU A 104 -15.511 4.841 -0.448 1.00 0.55 H new ATOM 0 HD21 LEU A 104 -15.059 3.626 2.359 1.00 0.65 H new ATOM 0 HD22 LEU A 104 -14.213 5.080 1.777 1.00 0.65 H new ATOM 0 HD23 LEU A 104 -15.147 5.140 3.291 1.00 0.65 H new ATOM 1607 N ALA A 105 -19.243 5.672 0.483 1.00 0.35 N ATOM 1608 CA ALA A 105 -20.174 5.269 -0.577 1.00 0.38 C ATOM 1609 C ALA A 105 -21.519 5.940 -0.372 1.00 0.37 C ATOM 1610 O ALA A 105 -22.288 6.141 -1.302 1.00 0.39 O ATOM 1611 CB ALA A 105 -20.332 3.759 -0.602 1.00 0.43 C ATOM 0 H ALA A 105 -18.990 4.924 1.129 1.00 0.35 H new ATOM 0 HA ALA A 105 -19.767 5.586 -1.537 1.00 0.38 H new ATOM 0 HB1 ALA A 105 -21.026 3.479 -1.394 1.00 0.43 H new ATOM 0 HB2 ALA A 105 -19.363 3.295 -0.787 1.00 0.43 H new ATOM 0 HB3 ALA A 105 -20.720 3.418 0.358 1.00 0.43 H new ATOM 1617 N ARG A 106 -21.783 6.259 0.868 1.00 0.36 N ATOM 1618 CA ARG A 106 -22.962 7.033 1.190 1.00 0.40 C ATOM 1619 C ARG A 106 -22.853 8.439 0.608 1.00 0.38 C ATOM 1620 O ARG A 106 -23.791 8.927 0.002 1.00 0.40 O ATOM 1621 CB ARG A 106 -23.197 7.104 2.679 1.00 0.48 C ATOM 1622 CG ARG A 106 -24.145 8.207 3.088 1.00 0.53 C ATOM 1623 CD ARG A 106 -24.431 8.137 4.574 1.00 0.73 C ATOM 1624 NE ARG A 106 -23.285 7.605 5.302 1.00 0.91 N ATOM 1625 CZ ARG A 106 -23.233 7.463 6.620 1.00 1.38 C ATOM 1626 NH1 ARG A 106 -24.273 7.795 7.377 1.00 1.52 N ATOM 1627 NH2 ARG A 106 -22.143 6.953 7.170 1.00 1.81 N ATOM 0 H ARG A 106 -21.206 6.000 1.668 1.00 0.36 H new ATOM 0 HA ARG A 106 -23.817 6.526 0.742 1.00 0.40 H new ATOM 0 HB2 ARG A 106 -23.594 6.149 3.022 1.00 0.48 H new ATOM 0 HB3 ARG A 106 -22.242 7.251 3.183 1.00 0.48 H new ATOM 0 HG2 ARG A 106 -23.713 9.176 2.840 1.00 0.53 H new ATOM 0 HG3 ARG A 106 -25.076 8.121 2.528 1.00 0.53 H new ATOM 0 HD2 ARG A 106 -24.675 9.131 4.948 1.00 0.73 H new ATOM 0 HD3 ARG A 106 -25.303 7.507 4.751 1.00 0.73 H new ATOM 0 HE ARG A 106 -22.468 7.323 4.761 1.00 0.91 H new ATOM 0 HH11 ARG A 106 -25.121 8.163 6.946 1.00 1.52 H new ATOM 0 HH12 ARG A 106 -24.223 7.682 8.390 1.00 1.52 H new ATOM 0 HH21 ARG A 106 -21.357 6.675 6.582 1.00 1.81 H new ATOM 0 HH22 ARG A 106 -22.088 6.838 8.182 1.00 1.81 H new ATOM 1641 N ASP A 107 -21.705 9.079 0.782 1.00 0.37 N ATOM 1642 CA ASP A 107 -21.541 10.469 0.355 1.00 0.41 C ATOM 1643 C ASP A 107 -21.221 10.585 -1.141 1.00 0.38 C ATOM 1644 O ASP A 107 -21.932 11.252 -1.906 1.00 0.41 O ATOM 1645 CB ASP A 107 -20.422 11.109 1.175 1.00 0.46 C ATOM 1646 CG ASP A 107 -20.255 12.589 0.902 1.00 0.57 C ATOM 1647 OD1 ASP A 107 -21.272 13.273 0.670 1.00 0.80 O ATOM 1648 OD2 ASP A 107 -19.107 13.082 0.961 1.00 0.68 O ATOM 0 H ASP A 107 -20.877 8.666 1.212 1.00 0.37 H new ATOM 0 HA ASP A 107 -22.485 10.988 0.522 1.00 0.41 H new ATOM 0 HB2 ASP A 107 -20.628 10.963 2.235 1.00 0.46 H new ATOM 0 HB3 ASP A 107 -19.484 10.598 0.959 1.00 0.46 H new ATOM 1653 N VAL A 108 -20.193 9.884 -1.583 1.00 0.34 N ATOM 1654 CA VAL A 108 -19.769 10.009 -2.965 1.00 0.33 C ATOM 1655 C VAL A 108 -20.584 9.069 -3.841 1.00 0.32 C ATOM 1656 O VAL A 108 -20.792 9.333 -5.017 1.00 0.37 O ATOM 1657 CB VAL A 108 -18.262 9.730 -3.160 1.00 0.32 C ATOM 1658 CG1 VAL A 108 -17.820 10.192 -4.531 1.00 0.77 C ATOM 1659 CG2 VAL A 108 -17.421 10.408 -2.094 1.00 0.88 C ATOM 0 H VAL A 108 -19.646 9.235 -1.018 1.00 0.34 H new ATOM 0 HA VAL A 108 -19.942 11.044 -3.258 1.00 0.33 H new ATOM 0 HB VAL A 108 -18.113 8.654 -3.070 1.00 0.32 H new ATOM 0 HG11 VAL A 108 -16.756 9.990 -4.657 1.00 0.77 H new ATOM 0 HG12 VAL A 108 -18.384 9.657 -5.295 1.00 0.77 H new ATOM 0 HG13 VAL A 108 -18.001 11.262 -4.630 1.00 0.77 H new ATOM 0 HG21 VAL A 108 -16.368 10.187 -2.267 1.00 0.88 H new ATOM 0 HG22 VAL A 108 -17.578 11.486 -2.138 1.00 0.88 H new ATOM 0 HG23 VAL A 108 -17.713 10.039 -1.111 1.00 0.88 H new ATOM 1669 N GLY A 109 -21.035 7.967 -3.253 1.00 0.29 N ATOM 1670 CA GLY A 109 -21.948 7.076 -3.952 1.00 0.30 C ATOM 1671 C GLY A 109 -23.347 7.648 -4.013 1.00 0.33 C ATOM 1672 O GLY A 109 -24.169 7.232 -4.831 1.00 0.38 O ATOM 0 H GLY A 109 -20.787 7.673 -2.308 1.00 0.29 H new ATOM 0 HA2 GLY A 109 -21.582 6.900 -4.963 1.00 0.30 H new ATOM 0 HA3 GLY A 109 -21.971 6.110 -3.448 1.00 0.30 H new ATOM 1676 N VAL A 110 -23.610 8.564 -3.087 1.00 0.37 N ATOM 1677 CA VAL A 110 -24.782 9.426 -3.190 1.00 0.46 C ATOM 1678 C VAL A 110 -24.807 9.974 -4.609 1.00 0.47 C ATOM 1679 O VAL A 110 -25.852 10.018 -5.259 1.00 0.54 O ATOM 1680 CB VAL A 110 -24.801 10.579 -2.151 1.00 0.56 C ATOM 1681 CG1 VAL A 110 -24.803 11.956 -2.805 1.00 1.09 C ATOM 1682 CG2 VAL A 110 -26.008 10.444 -1.237 1.00 0.78 C ATOM 0 H VAL A 110 -23.032 8.728 -2.263 1.00 0.37 H new ATOM 0 HA VAL A 110 -25.672 8.838 -2.969 1.00 0.46 H new ATOM 0 HB VAL A 110 -23.883 10.495 -1.569 1.00 0.56 H new ATOM 0 HG11 VAL A 110 -24.817 12.725 -2.033 1.00 1.09 H new ATOM 0 HG12 VAL A 110 -23.907 12.070 -3.415 1.00 1.09 H new ATOM 0 HG13 VAL A 110 -25.687 12.058 -3.435 1.00 1.09 H new ATOM 0 HG21 VAL A 110 -26.009 11.259 -0.513 1.00 0.78 H new ATOM 0 HG22 VAL A 110 -26.921 10.485 -1.831 1.00 0.78 H new ATOM 0 HG23 VAL A 110 -25.961 9.491 -0.710 1.00 0.78 H new ATOM 1692 N ASP A 111 -23.636 10.405 -5.079 1.00 0.45 N ATOM 1693 CA ASP A 111 -23.456 10.642 -6.508 1.00 0.52 C ATOM 1694 C ASP A 111 -23.334 9.300 -7.262 1.00 0.59 C ATOM 1695 O ASP A 111 -24.332 8.816 -7.809 1.00 1.05 O ATOM 1696 CB ASP A 111 -22.249 11.555 -6.762 1.00 0.60 C ATOM 1697 CG ASP A 111 -22.398 12.383 -8.023 1.00 1.30 C ATOM 1698 OD1 ASP A 111 -22.973 11.866 -9.005 1.00 1.86 O ATOM 1699 OD2 ASP A 111 -21.948 13.544 -8.047 1.00 1.87 O ATOM 0 H ASP A 111 -22.815 10.593 -4.504 1.00 0.45 H new ATOM 0 HA ASP A 111 -24.335 11.159 -6.893 1.00 0.52 H new ATOM 0 HB2 ASP A 111 -22.116 12.220 -5.909 1.00 0.60 H new ATOM 0 HB3 ASP A 111 -21.347 10.947 -6.836 1.00 0.60 H new ATOM 1704 N TRP A 112 -22.128 8.696 -7.288 1.00 0.43 N ATOM 1705 CA TRP A 112 -21.936 7.349 -7.860 1.00 0.45 C ATOM 1706 C TRP A 112 -20.473 6.868 -7.779 1.00 0.42 C ATOM 1707 O TRP A 112 -20.189 5.819 -7.205 1.00 0.43 O ATOM 1708 CB TRP A 112 -22.421 7.273 -9.327 1.00 0.57 C ATOM 1709 CG TRP A 112 -21.684 8.156 -10.295 1.00 0.64 C ATOM 1710 CD1 TRP A 112 -21.566 9.515 -10.268 1.00 0.72 C ATOM 1711 CD2 TRP A 112 -20.974 7.719 -11.452 1.00 0.78 C ATOM 1712 NE1 TRP A 112 -20.806 9.944 -11.330 1.00 0.83 N ATOM 1713 CE2 TRP A 112 -20.432 8.858 -12.072 1.00 0.86 C ATOM 1714 CE3 TRP A 112 -20.741 6.468 -12.013 1.00 0.96 C ATOM 1715 CZ2 TRP A 112 -19.668 8.780 -13.233 1.00 1.04 C ATOM 1716 CZ3 TRP A 112 -19.983 6.387 -13.166 1.00 1.16 C ATOM 1717 CH2 TRP A 112 -19.454 7.537 -13.766 1.00 1.17 C ATOM 0 H TRP A 112 -21.276 9.119 -6.921 1.00 0.43 H new ATOM 0 HA TRP A 112 -22.545 6.684 -7.247 1.00 0.45 H new ATOM 0 HB2 TRP A 112 -22.337 6.241 -9.667 1.00 0.57 H new ATOM 0 HB3 TRP A 112 -23.479 7.534 -9.356 1.00 0.57 H new ATOM 0 HD1 TRP A 112 -22.006 10.160 -9.521 1.00 0.72 H new ATOM 0 HE1 TRP A 112 -20.561 10.913 -11.532 1.00 0.83 H new ATOM 0 HE3 TRP A 112 -21.145 5.576 -11.556 1.00 0.96 H new ATOM 0 HZ2 TRP A 112 -19.260 9.666 -13.696 1.00 1.04 H new ATOM 0 HZ3 TRP A 112 -19.796 5.421 -13.612 1.00 1.16 H new ATOM 0 HH2 TRP A 112 -18.866 7.441 -14.667 1.00 1.17 H new ATOM 1728 N ASP A 113 -19.568 7.624 -8.382 1.00 0.42 N ATOM 1729 CA ASP A 113 -18.168 7.206 -8.531 1.00 0.42 C ATOM 1730 C ASP A 113 -17.310 7.795 -7.417 1.00 0.40 C ATOM 1731 O ASP A 113 -17.260 9.015 -7.258 1.00 0.50 O ATOM 1732 CB ASP A 113 -17.642 7.663 -9.901 1.00 0.51 C ATOM 1733 CG ASP A 113 -16.330 7.010 -10.299 1.00 1.26 C ATOM 1734 OD1 ASP A 113 -16.367 5.920 -10.903 1.00 2.15 O ATOM 1735 OD2 ASP A 113 -15.258 7.604 -10.047 1.00 1.61 O ATOM 0 H ASP A 113 -19.774 8.540 -8.782 1.00 0.42 H new ATOM 0 HA ASP A 113 -18.114 6.119 -8.465 1.00 0.42 H new ATOM 0 HB2 ASP A 113 -18.392 7.443 -10.660 1.00 0.51 H new ATOM 0 HB3 ASP A 113 -17.510 8.745 -9.887 1.00 0.51 H new ATOM 1740 N ILE A 114 -16.627 6.938 -6.659 1.00 0.32 N ATOM 1741 CA ILE A 114 -15.863 7.390 -5.495 1.00 0.32 C ATOM 1742 C ILE A 114 -14.376 7.236 -5.760 1.00 0.32 C ATOM 1743 O ILE A 114 -13.954 6.385 -6.544 1.00 0.33 O ATOM 1744 CB ILE A 114 -16.221 6.629 -4.175 1.00 0.31 C ATOM 1745 CG1 ILE A 114 -17.728 6.444 -4.025 1.00 0.39 C ATOM 1746 CG2 ILE A 114 -15.667 7.369 -2.965 1.00 0.33 C ATOM 1747 CD1 ILE A 114 -18.262 5.265 -4.799 1.00 0.38 C ATOM 0 H ILE A 114 -16.586 5.933 -6.828 1.00 0.32 H new ATOM 0 HA ILE A 114 -16.130 8.436 -5.348 1.00 0.32 H new ATOM 0 HB ILE A 114 -15.763 5.642 -4.233 1.00 0.31 H new ATOM 0 HG12 ILE A 114 -17.969 6.316 -2.970 1.00 0.39 H new ATOM 0 HG13 ILE A 114 -18.234 7.350 -4.360 1.00 0.39 H new ATOM 0 HG21 ILE A 114 -15.926 6.825 -2.056 1.00 0.33 H new ATOM 0 HG22 ILE A 114 -14.583 7.442 -3.048 1.00 0.33 H new ATOM 0 HG23 ILE A 114 -16.096 8.370 -2.923 1.00 0.33 H new ATOM 0 HD11 ILE A 114 -19.339 5.189 -4.650 1.00 0.38 H new ATOM 0 HD12 ILE A 114 -18.051 5.401 -5.860 1.00 0.38 H new ATOM 0 HD13 ILE A 114 -17.782 4.352 -4.448 1.00 0.38 H new ATOM 1759 N ASP A 115 -13.592 8.063 -5.096 1.00 0.35 N ATOM 1760 CA ASP A 115 -12.152 8.046 -5.234 1.00 0.38 C ATOM 1761 C ASP A 115 -11.546 7.276 -4.069 1.00 0.34 C ATOM 1762 O ASP A 115 -12.176 7.144 -3.022 1.00 0.31 O ATOM 1763 CB ASP A 115 -11.600 9.477 -5.285 1.00 0.46 C ATOM 1764 CG ASP A 115 -11.622 10.180 -3.945 1.00 1.27 C ATOM 1765 OD1 ASP A 115 -12.715 10.629 -3.532 1.00 2.11 O ATOM 1766 OD2 ASP A 115 -10.558 10.268 -3.295 1.00 1.36 O ATOM 0 H ASP A 115 -13.939 8.767 -4.444 1.00 0.35 H new ATOM 0 HA ASP A 115 -11.884 7.551 -6.168 1.00 0.38 H new ATOM 0 HB2 ASP A 115 -10.575 9.450 -5.655 1.00 0.46 H new ATOM 0 HB3 ASP A 115 -12.182 10.057 -6.001 1.00 0.46 H new ATOM 1771 N TYR A 116 -10.366 6.709 -4.270 1.00 0.37 N ATOM 1772 CA TYR A 116 -9.676 5.969 -3.220 1.00 0.37 C ATOM 1773 C TYR A 116 -8.189 6.310 -3.276 1.00 0.40 C ATOM 1774 O TYR A 116 -7.687 6.680 -4.335 1.00 0.62 O ATOM 1775 CB TYR A 116 -9.841 4.449 -3.395 1.00 0.38 C ATOM 1776 CG TYR A 116 -11.253 3.935 -3.222 1.00 0.37 C ATOM 1777 CD1 TYR A 116 -12.205 4.148 -4.207 1.00 0.37 C ATOM 1778 CD2 TYR A 116 -11.634 3.243 -2.080 1.00 0.40 C ATOM 1779 CE1 TYR A 116 -13.496 3.686 -4.062 1.00 0.39 C ATOM 1780 CE2 TYR A 116 -12.923 2.776 -1.928 1.00 0.42 C ATOM 1781 CZ TYR A 116 -13.842 2.980 -2.891 1.00 0.41 C ATOM 1782 OH TYR A 116 -15.138 2.533 -2.776 1.00 0.45 O ATOM 0 H TYR A 116 -9.862 6.747 -5.156 1.00 0.37 H new ATOM 0 HA TYR A 116 -10.110 6.252 -2.261 1.00 0.37 H new ATOM 0 HB2 TYR A 116 -9.489 4.173 -4.389 1.00 0.38 H new ATOM 0 HB3 TYR A 116 -9.196 3.944 -2.676 1.00 0.38 H new ATOM 0 HD1 TYR A 116 -11.931 4.685 -5.103 1.00 0.37 H new ATOM 0 HD2 TYR A 116 -10.910 3.068 -1.298 1.00 0.40 H new ATOM 0 HE1 TYR A 116 -14.231 3.862 -4.833 1.00 0.39 H new ATOM 0 HE2 TYR A 116 -13.197 2.243 -1.030 1.00 0.42 H new ATOM 0 HH TYR A 116 -15.247 2.061 -1.924 1.00 0.45 H new ATOM 1792 N GLU A 117 -7.489 6.188 -2.158 1.00 0.27 N ATOM 1793 CA GLU A 117 -6.052 6.394 -2.134 1.00 0.28 C ATOM 1794 C GLU A 117 -5.391 5.401 -1.196 1.00 0.28 C ATOM 1795 O GLU A 117 -5.870 5.157 -0.085 1.00 0.31 O ATOM 1796 CB GLU A 117 -5.690 7.819 -1.703 1.00 0.31 C ATOM 1797 CG GLU A 117 -4.189 8.074 -1.696 1.00 0.39 C ATOM 1798 CD GLU A 117 -3.816 9.450 -1.188 1.00 0.51 C ATOM 1799 OE1 GLU A 117 -4.117 10.443 -1.877 1.00 0.66 O ATOM 1800 OE2 GLU A 117 -3.188 9.539 -0.113 1.00 0.80 O ATOM 0 H GLU A 117 -7.896 5.947 -1.254 1.00 0.27 H new ATOM 0 HA GLU A 117 -5.686 6.240 -3.149 1.00 0.28 H new ATOM 0 HB2 GLU A 117 -6.171 8.529 -2.375 1.00 0.31 H new ATOM 0 HB3 GLU A 117 -6.089 8.004 -0.706 1.00 0.31 H new ATOM 0 HG2 GLU A 117 -3.703 7.321 -1.075 1.00 0.39 H new ATOM 0 HG3 GLU A 117 -3.802 7.951 -2.708 1.00 0.39 H new ATOM 1807 N LEU A 118 -4.296 4.833 -1.658 1.00 0.29 N ATOM 1808 CA LEU A 118 -3.506 3.908 -0.872 1.00 0.28 C ATOM 1809 C LEU A 118 -2.241 4.596 -0.402 1.00 0.28 C ATOM 1810 O LEU A 118 -1.589 5.292 -1.169 1.00 0.32 O ATOM 1811 CB LEU A 118 -3.190 2.667 -1.730 1.00 0.35 C ATOM 1812 CG LEU A 118 -2.134 1.665 -1.220 1.00 0.40 C ATOM 1813 CD1 LEU A 118 -0.729 2.131 -1.563 1.00 1.24 C ATOM 1814 CD2 LEU A 118 -2.277 1.427 0.275 1.00 1.25 C ATOM 0 H LEU A 118 -3.927 5.001 -2.594 1.00 0.29 H new ATOM 0 HA LEU A 118 -4.059 3.586 0.010 1.00 0.28 H new ATOM 0 HB2 LEU A 118 -4.121 2.120 -1.876 1.00 0.35 H new ATOM 0 HB3 LEU A 118 -2.868 3.016 -2.711 1.00 0.35 H new ATOM 0 HG LEU A 118 -2.307 0.716 -1.727 1.00 0.40 H new ATOM 0 HD11 LEU A 118 -0.004 1.406 -1.192 1.00 1.24 H new ATOM 0 HD12 LEU A 118 -0.630 2.222 -2.645 1.00 1.24 H new ATOM 0 HD13 LEU A 118 -0.543 3.100 -1.099 1.00 1.24 H new ATOM 0 HD21 LEU A 118 -1.519 0.716 0.604 1.00 1.25 H new ATOM 0 HD22 LEU A 118 -2.147 2.369 0.807 1.00 1.25 H new ATOM 0 HD23 LEU A 118 -3.268 1.025 0.486 1.00 1.25 H new ATOM 1826 N GLN A 119 -1.918 4.432 0.862 1.00 0.26 N ATOM 1827 CA GLN A 119 -0.642 4.882 1.374 1.00 0.27 C ATOM 1828 C GLN A 119 0.107 3.705 1.978 1.00 0.26 C ATOM 1829 O GLN A 119 -0.191 3.278 3.086 1.00 0.27 O ATOM 1830 CB GLN A 119 -0.829 5.969 2.426 1.00 0.30 C ATOM 1831 CG GLN A 119 0.452 6.720 2.739 1.00 0.37 C ATOM 1832 CD GLN A 119 0.808 7.757 1.685 1.00 0.46 C ATOM 1833 OE1 GLN A 119 1.441 8.769 1.981 1.00 0.63 O ATOM 1834 NE2 GLN A 119 0.402 7.520 0.453 1.00 0.51 N ATOM 0 H GLN A 119 -2.522 3.990 1.555 1.00 0.26 H new ATOM 0 HA GLN A 119 -0.066 5.301 0.549 1.00 0.27 H new ATOM 0 HB2 GLN A 119 -1.582 6.676 2.079 1.00 0.30 H new ATOM 0 HB3 GLN A 119 -1.212 5.518 3.342 1.00 0.30 H new ATOM 0 HG2 GLN A 119 0.350 7.213 3.706 1.00 0.37 H new ATOM 0 HG3 GLN A 119 1.271 6.007 2.830 1.00 0.37 H new ATOM 0 HE21 GLN A 119 -0.121 6.670 0.243 1.00 0.51 H new ATOM 0 HE22 GLN A 119 0.611 8.187 -0.290 1.00 0.51 H new ATOM 1843 N ILE A 120 1.058 3.171 1.242 1.00 0.26 N ATOM 1844 CA ILE A 120 1.780 1.995 1.690 1.00 0.26 C ATOM 1845 C ILE A 120 3.207 2.361 2.094 1.00 0.23 C ATOM 1846 O ILE A 120 3.981 2.885 1.294 1.00 0.24 O ATOM 1847 CB ILE A 120 1.776 0.889 0.599 1.00 0.31 C ATOM 1848 CG1 ILE A 120 2.379 -0.411 1.120 1.00 0.45 C ATOM 1849 CG2 ILE A 120 2.500 1.338 -0.655 1.00 0.36 C ATOM 1850 CD1 ILE A 120 1.465 -1.167 2.051 1.00 0.81 C ATOM 0 H ILE A 120 1.350 3.530 0.333 1.00 0.26 H new ATOM 0 HA ILE A 120 1.270 1.597 2.567 1.00 0.26 H new ATOM 0 HB ILE A 120 0.733 0.704 0.341 1.00 0.31 H new ATOM 0 HG12 ILE A 120 2.632 -1.050 0.274 1.00 0.45 H new ATOM 0 HG13 ILE A 120 3.310 -0.187 1.640 1.00 0.45 H new ATOM 0 HG21 ILE A 120 2.476 0.538 -1.395 1.00 0.36 H new ATOM 0 HG22 ILE A 120 2.010 2.223 -1.061 1.00 0.36 H new ATOM 0 HG23 ILE A 120 3.535 1.577 -0.412 1.00 0.36 H new ATOM 0 HD11 ILE A 120 1.958 -2.081 2.383 1.00 0.81 H new ATOM 0 HD12 ILE A 120 1.232 -0.546 2.916 1.00 0.81 H new ATOM 0 HD13 ILE A 120 0.543 -1.422 1.528 1.00 0.81 H new ATOM 1862 N GLY A 121 3.530 2.143 3.355 1.00 0.23 N ATOM 1863 CA GLY A 121 4.878 2.355 3.821 1.00 0.23 C ATOM 1864 C GLY A 121 5.682 1.084 3.742 1.00 0.22 C ATOM 1865 O GLY A 121 5.235 0.032 4.208 1.00 0.26 O ATOM 0 H GLY A 121 2.877 1.820 4.069 1.00 0.23 H new ATOM 0 HA2 GLY A 121 5.356 3.130 3.222 1.00 0.23 H new ATOM 0 HA3 GLY A 121 4.859 2.714 4.850 1.00 0.23 H new ATOM 1869 N LEU A 122 6.853 1.168 3.147 1.00 0.23 N ATOM 1870 CA LEU A 122 7.681 0.000 2.947 1.00 0.25 C ATOM 1871 C LEU A 122 8.902 0.003 3.835 1.00 0.23 C ATOM 1872 O LEU A 122 9.850 0.748 3.613 1.00 0.30 O ATOM 1873 CB LEU A 122 8.099 -0.117 1.489 1.00 0.30 C ATOM 1874 CG LEU A 122 7.284 -1.119 0.691 1.00 0.45 C ATOM 1875 CD1 LEU A 122 7.452 -2.513 1.273 1.00 1.20 C ATOM 1876 CD2 LEU A 122 5.823 -0.716 0.679 1.00 1.00 C ATOM 0 H LEU A 122 7.253 2.037 2.793 1.00 0.23 H new ATOM 0 HA LEU A 122 7.078 -0.866 3.221 1.00 0.25 H new ATOM 0 HB2 LEU A 122 8.014 0.862 1.018 1.00 0.30 H new ATOM 0 HB3 LEU A 122 9.150 -0.402 1.445 1.00 0.30 H new ATOM 0 HG LEU A 122 7.646 -1.129 -0.337 1.00 0.45 H new ATOM 0 HD11 LEU A 122 6.863 -3.223 0.693 1.00 1.20 H new ATOM 0 HD12 LEU A 122 8.503 -2.798 1.236 1.00 1.20 H new ATOM 0 HD13 LEU A 122 7.110 -2.519 2.308 1.00 1.20 H new ATOM 0 HD21 LEU A 122 5.250 -1.443 0.103 1.00 1.00 H new ATOM 0 HD22 LEU A 122 5.446 -0.684 1.701 1.00 1.00 H new ATOM 0 HD23 LEU A 122 5.721 0.269 0.224 1.00 1.00 H new ATOM 1888 N THR A 123 8.852 -0.836 4.843 1.00 0.22 N ATOM 1889 CA THR A 123 9.988 -1.080 5.702 1.00 0.21 C ATOM 1890 C THR A 123 10.664 -2.377 5.283 1.00 0.23 C ATOM 1891 O THR A 123 10.244 -3.455 5.681 1.00 0.32 O ATOM 1892 CB THR A 123 9.536 -1.203 7.163 1.00 0.24 C ATOM 1893 OG1 THR A 123 8.831 -0.017 7.560 1.00 0.26 O ATOM 1894 CG2 THR A 123 10.716 -1.447 8.094 1.00 0.26 C ATOM 0 H THR A 123 8.020 -1.371 5.092 1.00 0.22 H new ATOM 0 HA THR A 123 10.683 -0.245 5.612 1.00 0.21 H new ATOM 0 HB THR A 123 8.870 -2.062 7.237 1.00 0.24 H new ATOM 0 HG1 THR A 123 8.066 -0.263 8.120 1.00 0.26 H new ATOM 0 HG21 THR A 123 10.359 -1.529 9.121 1.00 0.26 H new ATOM 0 HG22 THR A 123 11.219 -2.372 7.810 1.00 0.26 H new ATOM 0 HG23 THR A 123 11.417 -0.615 8.019 1.00 0.26 H new ATOM 1902 N ILE A 124 11.690 -2.283 4.467 1.00 0.20 N ATOM 1903 CA ILE A 124 12.329 -3.476 3.941 1.00 0.21 C ATOM 1904 C ILE A 124 13.712 -3.687 4.543 1.00 0.24 C ATOM 1905 O ILE A 124 14.477 -2.735 4.716 1.00 0.32 O ATOM 1906 CB ILE A 124 12.411 -3.443 2.398 1.00 0.23 C ATOM 1907 CG1 ILE A 124 12.895 -2.075 1.906 1.00 0.25 C ATOM 1908 CG2 ILE A 124 11.053 -3.781 1.795 1.00 0.25 C ATOM 1909 CD1 ILE A 124 12.950 -1.954 0.397 1.00 0.98 C ATOM 0 H ILE A 124 12.099 -1.403 4.153 1.00 0.20 H new ATOM 0 HA ILE A 124 11.704 -4.321 4.230 1.00 0.21 H new ATOM 0 HB ILE A 124 13.135 -4.191 2.074 1.00 0.23 H new ATOM 0 HG12 ILE A 124 12.234 -1.303 2.300 1.00 0.25 H new ATOM 0 HG13 ILE A 124 13.888 -1.883 2.313 1.00 0.25 H new ATOM 0 HG21 ILE A 124 11.121 -3.755 0.707 1.00 0.25 H new ATOM 0 HG22 ILE A 124 10.750 -4.778 2.116 1.00 0.25 H new ATOM 0 HG23 ILE A 124 10.315 -3.052 2.130 1.00 0.25 H new ATOM 0 HD11 ILE A 124 13.301 -0.959 0.124 1.00 0.98 H new ATOM 0 HD12 ILE A 124 13.634 -2.703 -0.003 1.00 0.98 H new ATOM 0 HD13 ILE A 124 11.954 -2.113 -0.017 1.00 0.98 H new ATOM 1921 N ASP A 125 14.017 -4.938 4.874 1.00 0.25 N ATOM 1922 CA ASP A 125 15.300 -5.293 5.460 1.00 0.30 C ATOM 1923 C ASP A 125 16.303 -5.460 4.347 1.00 0.30 C ATOM 1924 O ASP A 125 16.235 -6.441 3.596 1.00 0.31 O ATOM 1925 CB ASP A 125 15.195 -6.594 6.268 1.00 0.37 C ATOM 1926 CG ASP A 125 16.485 -6.963 6.988 1.00 0.91 C ATOM 1927 OD1 ASP A 125 17.504 -7.242 6.317 1.00 1.44 O ATOM 1928 OD2 ASP A 125 16.479 -6.997 8.237 1.00 1.52 O ATOM 0 H ASP A 125 13.385 -5.728 4.744 1.00 0.25 H new ATOM 0 HA ASP A 125 15.616 -4.502 6.141 1.00 0.30 H new ATOM 0 HB2 ASP A 125 14.394 -6.495 7.001 1.00 0.37 H new ATOM 0 HB3 ASP A 125 14.915 -7.408 5.599 1.00 0.37 H new ATOM 1933 N LEU A 126 17.215 -4.497 4.259 1.00 0.32 N ATOM 1934 CA LEU A 126 18.173 -4.402 3.167 1.00 0.33 C ATOM 1935 C LEU A 126 19.596 -4.469 3.706 1.00 0.37 C ATOM 1936 O LEU A 126 19.824 -4.161 4.861 1.00 0.55 O ATOM 1937 CB LEU A 126 17.982 -3.074 2.430 1.00 0.42 C ATOM 1938 CG LEU A 126 16.653 -2.909 1.692 1.00 0.38 C ATOM 1939 CD1 LEU A 126 16.326 -1.436 1.537 1.00 1.26 C ATOM 1940 CD2 LEU A 126 16.715 -3.584 0.330 1.00 1.28 C ATOM 0 H LEU A 126 17.309 -3.754 4.951 1.00 0.32 H new ATOM 0 HA LEU A 126 18.007 -5.235 2.483 1.00 0.33 H new ATOM 0 HB2 LEU A 126 18.079 -2.262 3.151 1.00 0.42 H new ATOM 0 HB3 LEU A 126 18.793 -2.959 1.710 1.00 0.42 H new ATOM 0 HG LEU A 126 15.865 -3.385 2.276 1.00 0.38 H new ATOM 0 HD11 LEU A 126 15.378 -1.327 1.010 1.00 1.26 H new ATOM 0 HD12 LEU A 126 16.249 -0.975 2.522 1.00 1.26 H new ATOM 0 HD13 LEU A 126 17.116 -0.946 0.967 1.00 1.26 H new ATOM 0 HD21 LEU A 126 15.761 -3.457 -0.183 1.00 1.28 H new ATOM 0 HD22 LEU A 126 17.509 -3.132 -0.264 1.00 1.28 H new ATOM 0 HD23 LEU A 126 16.919 -4.647 0.460 1.00 1.28 H new ATOM 1952 N PRO A 127 20.573 -4.865 2.887 1.00 0.43 N ATOM 1953 CA PRO A 127 21.984 -4.858 3.294 1.00 0.52 C ATOM 1954 C PRO A 127 22.546 -3.436 3.416 1.00 0.60 C ATOM 1955 O PRO A 127 23.549 -3.203 4.089 1.00 0.74 O ATOM 1956 CB PRO A 127 22.694 -5.616 2.164 1.00 0.60 C ATOM 1957 CG PRO A 127 21.607 -6.275 1.379 1.00 0.73 C ATOM 1958 CD PRO A 127 20.396 -5.404 1.534 1.00 0.55 C ATOM 0 HA PRO A 127 22.123 -5.309 4.277 1.00 0.52 H new ATOM 0 HB2 PRO A 127 23.272 -4.936 1.539 1.00 0.60 H new ATOM 0 HB3 PRO A 127 23.391 -6.353 2.563 1.00 0.60 H new ATOM 0 HG2 PRO A 127 21.887 -6.370 0.330 1.00 0.73 H new ATOM 0 HG3 PRO A 127 21.413 -7.281 1.750 1.00 0.73 H new ATOM 0 HD2 PRO A 127 20.363 -4.615 0.783 1.00 0.55 H new ATOM 0 HD3 PRO A 127 19.471 -5.973 1.440 1.00 0.55 H new ATOM 1966 N VAL A 128 21.892 -2.490 2.749 1.00 0.60 N ATOM 1967 CA VAL A 128 22.356 -1.106 2.718 1.00 0.72 C ATOM 1968 C VAL A 128 22.083 -0.374 4.037 1.00 0.71 C ATOM 1969 O VAL A 128 22.996 0.142 4.675 1.00 0.82 O ATOM 1970 CB VAL A 128 21.693 -0.325 1.564 1.00 0.83 C ATOM 1971 CG1 VAL A 128 22.263 1.079 1.469 1.00 1.12 C ATOM 1972 CG2 VAL A 128 21.867 -1.063 0.247 1.00 1.02 C ATOM 0 H VAL A 128 21.036 -2.657 2.221 1.00 0.60 H new ATOM 0 HA VAL A 128 23.434 -1.148 2.562 1.00 0.72 H new ATOM 0 HB VAL A 128 20.626 -0.247 1.774 1.00 0.83 H new ATOM 0 HG11 VAL A 128 21.782 1.612 0.649 1.00 1.12 H new ATOM 0 HG12 VAL A 128 22.081 1.610 2.403 1.00 1.12 H new ATOM 0 HG13 VAL A 128 23.336 1.024 1.286 1.00 1.12 H new ATOM 0 HG21 VAL A 128 21.392 -0.496 -0.554 1.00 1.02 H new ATOM 0 HG22 VAL A 128 22.929 -1.176 0.031 1.00 1.02 H new ATOM 0 HG23 VAL A 128 21.404 -2.047 0.318 1.00 1.02 H new ATOM 1982 N VAL A 129 20.819 -0.336 4.442 1.00 0.62 N ATOM 1983 CA VAL A 129 20.419 0.421 5.631 1.00 0.63 C ATOM 1984 C VAL A 129 20.104 -0.539 6.768 1.00 0.55 C ATOM 1985 O VAL A 129 19.774 -0.142 7.883 1.00 0.55 O ATOM 1986 CB VAL A 129 19.164 1.275 5.356 1.00 0.69 C ATOM 1987 CG1 VAL A 129 19.187 2.551 6.184 1.00 1.35 C ATOM 1988 CG2 VAL A 129 19.030 1.585 3.873 1.00 1.26 C ATOM 0 H VAL A 129 20.053 -0.817 3.970 1.00 0.62 H new ATOM 0 HA VAL A 129 21.246 1.078 5.899 1.00 0.63 H new ATOM 0 HB VAL A 129 18.289 0.697 5.654 1.00 0.69 H new ATOM 0 HG11 VAL A 129 18.293 3.137 5.974 1.00 1.35 H new ATOM 0 HG12 VAL A 129 19.213 2.297 7.244 1.00 1.35 H new ATOM 0 HG13 VAL A 129 20.072 3.134 5.929 1.00 1.35 H new ATOM 0 HG21 VAL A 129 18.137 2.188 3.707 1.00 1.26 H new ATOM 0 HG22 VAL A 129 19.908 2.136 3.536 1.00 1.26 H new ATOM 0 HG23 VAL A 129 18.948 0.654 3.313 1.00 1.26 H new ATOM 1998 N GLY A 130 20.219 -1.811 6.447 1.00 0.53 N ATOM 1999 CA GLY A 130 19.758 -2.872 7.339 1.00 0.55 C ATOM 2000 C GLY A 130 18.245 -2.991 7.317 1.00 0.58 C ATOM 2001 O GLY A 130 17.685 -4.075 7.455 1.00 1.05 O ATOM 0 H GLY A 130 20.628 -2.143 5.574 1.00 0.53 H new ATOM 0 HA2 GLY A 130 20.204 -3.821 7.040 1.00 0.55 H new ATOM 0 HA3 GLY A 130 20.094 -2.667 8.355 1.00 0.55 H new ATOM 2005 N GLU A 131 17.608 -1.855 7.115 1.00 0.49 N ATOM 2006 CA GLU A 131 16.169 -1.729 7.031 1.00 0.46 C ATOM 2007 C GLU A 131 15.867 -0.286 6.652 1.00 0.49 C ATOM 2008 O GLU A 131 16.566 0.628 7.090 1.00 0.75 O ATOM 2009 CB GLU A 131 15.499 -2.088 8.367 1.00 0.59 C ATOM 2010 CG GLU A 131 15.700 -1.047 9.454 1.00 0.73 C ATOM 2011 CD GLU A 131 15.088 -1.448 10.778 1.00 0.93 C ATOM 2012 OE1 GLU A 131 13.887 -1.177 10.992 1.00 1.16 O ATOM 2013 OE2 GLU A 131 15.809 -2.021 11.620 1.00 1.01 O ATOM 0 H GLU A 131 18.095 -0.966 7.001 1.00 0.49 H new ATOM 0 HA GLU A 131 15.773 -2.419 6.285 1.00 0.46 H new ATOM 0 HB2 GLU A 131 14.430 -2.225 8.201 1.00 0.59 H new ATOM 0 HB3 GLU A 131 15.892 -3.043 8.715 1.00 0.59 H new ATOM 0 HG2 GLU A 131 16.768 -0.875 9.591 1.00 0.73 H new ATOM 0 HG3 GLU A 131 15.264 -0.102 9.130 1.00 0.73 H new ATOM 2020 N PHE A 132 14.881 -0.074 5.812 1.00 0.39 N ATOM 2021 CA PHE A 132 14.541 1.275 5.402 1.00 0.48 C ATOM 2022 C PHE A 132 13.045 1.374 5.190 1.00 0.35 C ATOM 2023 O PHE A 132 12.446 0.478 4.598 1.00 0.33 O ATOM 2024 CB PHE A 132 15.299 1.645 4.122 1.00 0.69 C ATOM 2025 CG PHE A 132 15.416 3.123 3.886 1.00 1.02 C ATOM 2026 CD1 PHE A 132 15.908 3.959 4.873 1.00 1.22 C ATOM 2027 CD2 PHE A 132 15.018 3.679 2.680 1.00 1.31 C ATOM 2028 CE1 PHE A 132 16.003 5.321 4.663 1.00 1.66 C ATOM 2029 CE2 PHE A 132 15.109 5.040 2.464 1.00 1.74 C ATOM 2030 CZ PHE A 132 15.664 5.855 3.440 1.00 1.91 C ATOM 0 H PHE A 132 14.303 -0.807 5.401 1.00 0.39 H new ATOM 0 HA PHE A 132 14.833 1.978 6.182 1.00 0.48 H new ATOM 0 HB2 PHE A 132 16.299 1.215 4.167 1.00 0.69 H new ATOM 0 HB3 PHE A 132 14.795 1.190 3.269 1.00 0.69 H new ATOM 0 HD1 PHE A 132 16.221 3.542 5.819 1.00 1.22 H new ATOM 0 HD2 PHE A 132 14.632 3.040 1.900 1.00 1.31 H new ATOM 0 HE1 PHE A 132 16.343 5.967 5.459 1.00 1.66 H new ATOM 0 HE2 PHE A 132 14.750 5.468 1.540 1.00 1.74 H new ATOM 0 HZ PHE A 132 15.829 6.904 3.241 1.00 1.91 H new ATOM 2040 N THR A 133 12.446 2.441 5.691 1.00 0.37 N ATOM 2041 CA THR A 133 11.008 2.604 5.608 1.00 0.32 C ATOM 2042 C THR A 133 10.633 3.838 4.778 1.00 0.31 C ATOM 2043 O THR A 133 10.801 4.983 5.202 1.00 0.36 O ATOM 2044 CB THR A 133 10.368 2.658 7.019 1.00 0.44 C ATOM 2045 OG1 THR A 133 8.946 2.813 6.920 1.00 1.19 O ATOM 2046 CG2 THR A 133 10.956 3.779 7.871 1.00 1.17 C ATOM 0 H THR A 133 12.934 3.205 6.158 1.00 0.37 H new ATOM 0 HA THR A 133 10.606 1.730 5.096 1.00 0.32 H new ATOM 0 HB THR A 133 10.595 1.712 7.512 1.00 0.44 H new ATOM 0 HG1 THR A 133 8.510 1.953 7.095 1.00 1.19 H new ATOM 0 HG21 THR A 133 10.479 3.780 8.851 1.00 1.17 H new ATOM 0 HG22 THR A 133 12.028 3.622 7.990 1.00 1.17 H new ATOM 0 HG23 THR A 133 10.782 4.737 7.382 1.00 1.17 H new ATOM 2054 N ILE A 134 10.160 3.586 3.567 1.00 0.28 N ATOM 2055 CA ILE A 134 9.711 4.642 2.670 1.00 0.31 C ATOM 2056 C ILE A 134 8.294 4.358 2.189 1.00 0.28 C ATOM 2057 O ILE A 134 7.950 3.214 1.918 1.00 0.26 O ATOM 2058 CB ILE A 134 10.664 4.810 1.462 1.00 0.36 C ATOM 2059 CG1 ILE A 134 11.054 3.448 0.874 1.00 0.41 C ATOM 2060 CG2 ILE A 134 11.899 5.595 1.866 1.00 0.41 C ATOM 2061 CD1 ILE A 134 10.094 2.941 -0.178 1.00 0.50 C ATOM 0 H ILE A 134 10.076 2.647 3.178 1.00 0.28 H new ATOM 0 HA ILE A 134 9.718 5.577 3.230 1.00 0.31 H new ATOM 0 HB ILE A 134 10.137 5.369 0.689 1.00 0.36 H new ATOM 0 HG12 ILE A 134 12.050 3.523 0.438 1.00 0.41 H new ATOM 0 HG13 ILE A 134 11.113 2.718 1.681 1.00 0.41 H new ATOM 0 HG21 ILE A 134 12.559 5.704 1.005 1.00 0.41 H new ATOM 0 HG22 ILE A 134 11.603 6.581 2.223 1.00 0.41 H new ATOM 0 HG23 ILE A 134 12.424 5.064 2.660 1.00 0.41 H new ATOM 0 HD11 ILE A 134 10.436 1.974 -0.547 1.00 0.50 H new ATOM 0 HD12 ILE A 134 9.101 2.833 0.258 1.00 0.50 H new ATOM 0 HD13 ILE A 134 10.052 3.650 -1.005 1.00 0.50 H new ATOM 2073 N PRO A 135 7.437 5.377 2.118 1.00 0.30 N ATOM 2074 CA PRO A 135 6.066 5.203 1.683 1.00 0.29 C ATOM 2075 C PRO A 135 5.852 5.503 0.201 1.00 0.28 C ATOM 2076 O PRO A 135 6.700 6.103 -0.465 1.00 0.31 O ATOM 2077 CB PRO A 135 5.331 6.221 2.551 1.00 0.35 C ATOM 2078 CG PRO A 135 6.320 7.327 2.783 1.00 0.45 C ATOM 2079 CD PRO A 135 7.701 6.771 2.499 1.00 0.39 C ATOM 0 HA PRO A 135 5.726 4.173 1.789 1.00 0.29 H new ATOM 0 HB2 PRO A 135 4.436 6.591 2.051 1.00 0.35 H new ATOM 0 HB3 PRO A 135 5.009 5.776 3.493 1.00 0.35 H new ATOM 0 HG2 PRO A 135 6.107 8.175 2.132 1.00 0.45 H new ATOM 0 HG3 PRO A 135 6.256 7.689 3.809 1.00 0.45 H new ATOM 0 HD2 PRO A 135 8.198 7.319 1.698 1.00 0.39 H new ATOM 0 HD3 PRO A 135 8.347 6.832 3.375 1.00 0.39 H new ATOM 2087 N ILE A 136 4.702 5.076 -0.296 1.00 0.26 N ATOM 2088 CA ILE A 136 4.298 5.304 -1.667 1.00 0.27 C ATOM 2089 C ILE A 136 2.781 5.113 -1.739 1.00 0.26 C ATOM 2090 O ILE A 136 2.174 4.621 -0.787 1.00 0.26 O ATOM 2091 CB ILE A 136 5.075 4.384 -2.658 1.00 0.28 C ATOM 2092 CG1 ILE A 136 4.741 4.720 -4.127 1.00 0.44 C ATOM 2093 CG2 ILE A 136 4.832 2.912 -2.359 1.00 0.33 C ATOM 2094 CD1 ILE A 136 3.759 3.776 -4.793 1.00 0.32 C ATOM 0 H ILE A 136 4.017 4.555 0.252 1.00 0.26 H new ATOM 0 HA ILE A 136 4.547 6.319 -1.975 1.00 0.27 H new ATOM 0 HB ILE A 136 6.138 4.578 -2.512 1.00 0.28 H new ATOM 0 HG12 ILE A 136 4.336 5.731 -4.170 1.00 0.44 H new ATOM 0 HG13 ILE A 136 5.667 4.723 -4.703 1.00 0.44 H new ATOM 0 HG21 ILE A 136 5.389 2.300 -3.069 1.00 0.33 H new ATOM 0 HG22 ILE A 136 5.165 2.687 -1.346 1.00 0.33 H new ATOM 0 HG23 ILE A 136 3.768 2.694 -2.448 1.00 0.33 H new ATOM 0 HD11 ILE A 136 3.588 4.095 -5.821 1.00 0.32 H new ATOM 0 HD12 ILE A 136 4.166 2.765 -4.789 1.00 0.32 H new ATOM 0 HD13 ILE A 136 2.815 3.789 -4.248 1.00 0.32 H new ATOM 2106 N SER A 137 2.163 5.509 -2.831 1.00 0.28 N ATOM 2107 CA SER A 137 0.717 5.598 -2.859 1.00 0.30 C ATOM 2108 C SER A 137 0.139 5.117 -4.173 1.00 0.30 C ATOM 2109 O SER A 137 0.812 5.135 -5.204 1.00 0.32 O ATOM 2110 CB SER A 137 0.281 7.038 -2.594 1.00 0.34 C ATOM 2111 OG SER A 137 0.622 7.898 -3.668 1.00 0.88 O ATOM 0 H SER A 137 2.629 5.771 -3.699 1.00 0.28 H new ATOM 0 HA SER A 137 0.333 4.944 -2.076 1.00 0.30 H new ATOM 0 HB2 SER A 137 -0.797 7.068 -2.433 1.00 0.34 H new ATOM 0 HB3 SER A 137 0.750 7.397 -1.678 1.00 0.34 H new ATOM 0 HG SER A 137 0.937 8.755 -3.313 1.00 0.88 H new ATOM 2117 N SER A 138 -1.116 4.693 -4.136 1.00 0.31 N ATOM 2118 CA SER A 138 -1.822 4.305 -5.332 1.00 0.34 C ATOM 2119 C SER A 138 -3.281 4.719 -5.180 1.00 0.34 C ATOM 2120 O SER A 138 -4.035 4.102 -4.431 1.00 0.35 O ATOM 2121 CB SER A 138 -1.706 2.790 -5.553 1.00 0.40 C ATOM 2122 OG SER A 138 -2.195 2.421 -6.831 1.00 0.96 O ATOM 0 H SER A 138 -1.664 4.611 -3.279 1.00 0.31 H new ATOM 0 HA SER A 138 -1.388 4.799 -6.201 1.00 0.34 H new ATOM 0 HB2 SER A 138 -0.664 2.484 -5.457 1.00 0.40 H new ATOM 0 HB3 SER A 138 -2.266 2.263 -4.780 1.00 0.40 H new ATOM 0 HG SER A 138 -2.108 1.452 -6.947 1.00 0.96 H new ATOM 2128 N LYS A 139 -3.660 5.800 -5.839 1.00 0.36 N ATOM 2129 CA LYS A 139 -5.019 6.313 -5.733 1.00 0.38 C ATOM 2130 C LYS A 139 -5.779 6.058 -7.023 1.00 0.41 C ATOM 2131 O LYS A 139 -5.181 6.033 -8.102 1.00 0.47 O ATOM 2132 CB LYS A 139 -5.025 7.812 -5.402 1.00 0.44 C ATOM 2133 CG LYS A 139 -4.201 8.674 -6.347 1.00 0.57 C ATOM 2134 CD LYS A 139 -2.764 8.826 -5.871 1.00 0.92 C ATOM 2135 CE LYS A 139 -2.699 9.547 -4.536 1.00 1.35 C ATOM 2136 NZ LYS A 139 -1.305 9.883 -4.143 1.00 1.76 N ATOM 0 H LYS A 139 -3.049 6.340 -6.452 1.00 0.36 H new ATOM 0 HA LYS A 139 -5.514 5.786 -4.917 1.00 0.38 H new ATOM 0 HB2 LYS A 139 -6.055 8.168 -5.412 1.00 0.44 H new ATOM 0 HB3 LYS A 139 -4.650 7.948 -4.388 1.00 0.44 H new ATOM 0 HG2 LYS A 139 -4.208 8.230 -7.342 1.00 0.57 H new ATOM 0 HG3 LYS A 139 -4.661 9.659 -6.434 1.00 0.57 H new ATOM 0 HD2 LYS A 139 -2.303 7.843 -5.779 1.00 0.92 H new ATOM 0 HD3 LYS A 139 -2.189 9.379 -6.614 1.00 0.92 H new ATOM 0 HE2 LYS A 139 -3.289 10.462 -4.591 1.00 1.35 H new ATOM 0 HE3 LYS A 139 -3.151 8.922 -3.766 1.00 1.35 H new ATOM 0 HZ1 LYS A 139 -1.315 10.418 -3.251 1.00 1.76 H new ATOM 0 HZ2 LYS A 139 -0.760 9.007 -4.015 1.00 1.76 H new ATOM 0 HZ3 LYS A 139 -0.864 10.459 -4.888 1.00 1.76 H new ATOM 2150 N GLY A 140 -7.087 5.854 -6.926 1.00 0.42 N ATOM 2151 CA GLY A 140 -7.877 5.571 -8.094 1.00 0.50 C ATOM 2152 C GLY A 140 -9.358 5.735 -7.821 1.00 0.46 C ATOM 2153 O GLY A 140 -9.846 5.399 -6.744 1.00 0.47 O ATOM 0 H GLY A 140 -7.611 5.881 -6.051 1.00 0.42 H new ATOM 0 HA2 GLY A 140 -7.580 6.237 -8.904 1.00 0.50 H new ATOM 0 HA3 GLY A 140 -7.679 4.553 -8.429 1.00 0.50 H new ATOM 2157 N GLU A 141 -10.045 6.269 -8.802 1.00 0.44 N ATOM 2158 CA GLU A 141 -11.479 6.502 -8.709 1.00 0.42 C ATOM 2159 C GLU A 141 -12.209 5.462 -9.531 1.00 0.43 C ATOM 2160 O GLU A 141 -11.897 5.272 -10.710 1.00 0.48 O ATOM 2161 CB GLU A 141 -11.843 7.912 -9.181 1.00 0.45 C ATOM 2162 CG GLU A 141 -10.817 8.969 -8.794 1.00 0.52 C ATOM 2163 CD GLU A 141 -9.676 9.069 -9.787 1.00 1.24 C ATOM 2164 OE1 GLU A 141 -9.870 9.666 -10.868 1.00 1.51 O ATOM 2165 OE2 GLU A 141 -8.580 8.556 -9.492 1.00 2.10 O ATOM 0 H GLU A 141 -9.633 6.557 -9.690 1.00 0.44 H new ATOM 0 HA GLU A 141 -11.781 6.418 -7.665 1.00 0.42 H new ATOM 0 HB2 GLU A 141 -11.954 7.906 -10.265 1.00 0.45 H new ATOM 0 HB3 GLU A 141 -12.811 8.187 -8.763 1.00 0.45 H new ATOM 0 HG2 GLU A 141 -11.311 9.937 -8.716 1.00 0.52 H new ATOM 0 HG3 GLU A 141 -10.415 8.736 -7.808 1.00 0.52 H new ATOM 2172 N ILE A 142 -13.176 4.785 -8.927 1.00 0.42 N ATOM 2173 CA ILE A 142 -13.835 3.664 -9.568 1.00 0.47 C ATOM 2174 C ILE A 142 -15.291 3.578 -9.119 1.00 0.46 C ATOM 2175 O ILE A 142 -15.726 4.330 -8.242 1.00 0.42 O ATOM 2176 CB ILE A 142 -13.109 2.317 -9.296 1.00 0.54 C ATOM 2177 CG1 ILE A 142 -12.677 2.179 -7.828 1.00 0.76 C ATOM 2178 CG2 ILE A 142 -11.904 2.160 -10.214 1.00 0.60 C ATOM 2179 CD1 ILE A 142 -13.786 1.759 -6.889 1.00 0.67 C ATOM 0 H ILE A 142 -13.520 4.997 -7.990 1.00 0.42 H new ATOM 0 HA ILE A 142 -13.797 3.841 -10.643 1.00 0.47 H new ATOM 0 HB ILE A 142 -13.824 1.521 -9.506 1.00 0.54 H new ATOM 0 HG12 ILE A 142 -11.869 1.450 -7.766 1.00 0.76 H new ATOM 0 HG13 ILE A 142 -12.272 3.133 -7.490 1.00 0.76 H new ATOM 0 HG21 ILE A 142 -11.410 1.211 -10.007 1.00 0.60 H new ATOM 0 HG22 ILE A 142 -12.233 2.179 -11.253 1.00 0.60 H new ATOM 0 HG23 ILE A 142 -11.205 2.978 -10.040 1.00 0.60 H new ATOM 0 HD11 ILE A 142 -13.395 1.686 -5.874 1.00 0.67 H new ATOM 0 HD12 ILE A 142 -14.586 2.499 -6.917 1.00 0.67 H new ATOM 0 HD13 ILE A 142 -14.177 0.790 -7.198 1.00 0.67 H new ATOM 2191 N LYS A 143 -16.032 2.678 -9.750 1.00 0.53 N ATOM 2192 CA LYS A 143 -17.460 2.503 -9.495 1.00 0.57 C ATOM 2193 C LYS A 143 -17.782 2.276 -8.016 1.00 0.54 C ATOM 2194 O LYS A 143 -16.926 1.876 -7.226 1.00 0.57 O ATOM 2195 CB LYS A 143 -17.979 1.316 -10.302 1.00 0.70 C ATOM 2196 CG LYS A 143 -17.256 0.018 -9.977 1.00 1.44 C ATOM 2197 CD LYS A 143 -17.847 -1.163 -10.724 1.00 2.04 C ATOM 2198 CE LYS A 143 -17.097 -2.449 -10.411 1.00 2.74 C ATOM 2199 NZ LYS A 143 -15.683 -2.402 -10.871 1.00 3.53 N ATOM 0 H LYS A 143 -15.660 2.044 -10.457 1.00 0.53 H new ATOM 0 HA LYS A 143 -17.950 3.429 -9.797 1.00 0.57 H new ATOM 0 HB2 LYS A 143 -19.045 1.190 -10.110 1.00 0.70 H new ATOM 0 HB3 LYS A 143 -17.870 1.530 -11.365 1.00 0.70 H new ATOM 0 HG2 LYS A 143 -16.201 0.117 -10.232 1.00 1.44 H new ATOM 0 HG3 LYS A 143 -17.309 -0.168 -8.904 1.00 1.44 H new ATOM 0 HD2 LYS A 143 -18.897 -1.277 -10.454 1.00 2.04 H new ATOM 0 HD3 LYS A 143 -17.812 -0.971 -11.796 1.00 2.04 H new ATOM 0 HE2 LYS A 143 -17.122 -2.629 -9.336 1.00 2.74 H new ATOM 0 HE3 LYS A 143 -17.604 -3.288 -10.887 1.00 2.74 H new ATOM 0 HZ1 LYS A 143 -15.276 -3.359 -10.841 1.00 3.53 H new ATOM 0 HZ2 LYS A 143 -15.647 -2.041 -11.846 1.00 3.53 H new ATOM 0 HZ3 LYS A 143 -15.136 -1.773 -10.249 1.00 3.53 H new ATOM 2213 N LEU A 144 -19.041 2.523 -7.669 1.00 0.60 N ATOM 2214 CA LEU A 144 -19.551 2.301 -6.320 1.00 0.66 C ATOM 2215 C LEU A 144 -19.331 0.845 -5.901 1.00 0.60 C ATOM 2216 O LEU A 144 -19.615 -0.072 -6.672 1.00 0.63 O ATOM 2217 CB LEU A 144 -21.049 2.646 -6.289 1.00 0.83 C ATOM 2218 CG LEU A 144 -21.719 2.651 -4.911 1.00 0.69 C ATOM 2219 CD1 LEU A 144 -21.251 3.834 -4.083 1.00 1.21 C ATOM 2220 CD2 LEU A 144 -23.230 2.682 -5.061 1.00 1.23 C ATOM 0 H LEU A 144 -19.740 2.884 -8.318 1.00 0.60 H new ATOM 0 HA LEU A 144 -19.016 2.940 -5.618 1.00 0.66 H new ATOM 0 HB2 LEU A 144 -21.182 3.631 -6.737 1.00 0.83 H new ATOM 0 HB3 LEU A 144 -21.577 1.933 -6.923 1.00 0.83 H new ATOM 0 HG LEU A 144 -21.433 1.737 -4.391 1.00 0.69 H new ATOM 0 HD11 LEU A 144 -21.742 3.814 -3.110 1.00 1.21 H new ATOM 0 HD12 LEU A 144 -20.171 3.778 -3.946 1.00 1.21 H new ATOM 0 HD13 LEU A 144 -21.504 4.761 -4.598 1.00 1.21 H new ATOM 0 HD21 LEU A 144 -23.694 2.685 -4.074 1.00 1.23 H new ATOM 0 HD22 LEU A 144 -23.523 3.581 -5.603 1.00 1.23 H new ATOM 0 HD23 LEU A 144 -23.559 1.802 -5.614 1.00 1.23 H new ATOM 2232 N PRO A 145 -18.793 0.618 -4.689 1.00 0.61 N ATOM 2233 CA PRO A 145 -18.542 -0.732 -4.163 1.00 0.64 C ATOM 2234 C PRO A 145 -19.812 -1.576 -4.070 1.00 0.66 C ATOM 2235 O PRO A 145 -20.911 -1.070 -4.280 1.00 0.65 O ATOM 2236 CB PRO A 145 -17.968 -0.480 -2.763 1.00 0.71 C ATOM 2237 CG PRO A 145 -18.347 0.923 -2.433 1.00 0.69 C ATOM 2238 CD PRO A 145 -18.371 1.658 -3.739 1.00 0.67 C ATOM 0 HA PRO A 145 -17.876 -1.295 -4.817 1.00 0.64 H new ATOM 0 HB2 PRO A 145 -18.380 -1.181 -2.036 1.00 0.71 H new ATOM 0 HB3 PRO A 145 -16.886 -0.609 -2.752 1.00 0.71 H new ATOM 0 HG2 PRO A 145 -19.321 0.960 -1.945 1.00 0.69 H new ATOM 0 HG3 PRO A 145 -17.629 1.371 -1.746 1.00 0.69 H new ATOM 0 HD2 PRO A 145 -19.069 2.495 -3.719 1.00 0.67 H new ATOM 0 HD3 PRO A 145 -17.392 2.065 -3.993 1.00 0.67 H new