USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=32 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 119 GLN :FLIP amide:sc= 0.549 F(o=-4!,f=1.7) USER MOD Set 1.2: A 137 SER OG : rot -90:sc= 1.12 USER MOD Set 2.1: A 123 THR OG1 : rot 141:sc= 2.39 USER MOD Set 2.2: A 133 THR OG1 : rot -89:sc= 1.31 USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= -0.0482 USER MOD Set 3.2: A 87 MET CE :methyl -177:sc= -0.409 (180deg=-0.485) USER MOD Single : A 25 SER OG : rot 120:sc= -2.64! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -144:sc=-0.00919 (180deg=-0.0528) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -163:sc= 0.981 USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= 1.23 (180deg=0.745) USER MOD Single : A 46 SER OG : rot 27:sc= 0.0672 USER MOD Single : A 49 ASN : amide:sc= -1.95! C(o=-2!,f=-13!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -48:sc= 0.502 USER MOD Single : A 53 HIS : no HE2:sc= -0.107 K(o=-0.11,f=-4) USER MOD Single : A 54 SER OG : rot -59:sc= 1.31 USER MOD Single : A 58 CYS SG : rot -14:sc= 0.492 USER MOD Single : A 61 SER OG : rot -43:sc= 0.118 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.19 F(o=-2.7!,f=-1.2) USER MOD Single : A 66 SER OG : rot 98:sc= 0.856 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0081) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 30:sc= 0.604 USER MOD Single : A 83 LYS NZ :NH3+ 154:sc= 0.791 (180deg=0.423) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=0.000135 USER MOD Single : A 103 ASN : amide:sc= 0.845 K(o=0.84,f=-2.5!) USER MOD Single : A 116 TYR OH : rot 180:sc=-0.00127 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -127:sc= 0.544 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 135:sc= -0.167 (180deg=-0.718) USER MOD ----------------------------------------------------------------- ATOM 364 N GLY A 24 8.857 -0.478 -4.599 1.00 0.54 N ATOM 365 CA GLY A 24 7.414 -0.491 -4.534 1.00 0.46 C ATOM 366 C GLY A 24 6.831 -1.629 -3.733 1.00 0.33 C ATOM 367 O GLY A 24 7.560 -2.431 -3.162 1.00 0.39 O ATOM 0 HA2 GLY A 24 7.074 0.451 -4.103 1.00 0.46 H new ATOM 0 HA3 GLY A 24 7.018 -0.538 -5.549 1.00 0.46 H new ATOM 371 N SER A 25 5.508 -1.644 -3.669 1.00 0.28 N ATOM 372 CA SER A 25 4.731 -2.729 -3.088 1.00 0.30 C ATOM 373 C SER A 25 3.283 -2.506 -3.431 1.00 0.32 C ATOM 374 O SER A 25 2.390 -2.803 -2.660 1.00 0.39 O ATOM 375 CB SER A 25 4.885 -2.778 -1.586 1.00 0.37 C ATOM 376 OG SER A 25 4.398 -1.594 -0.988 1.00 1.20 O ATOM 0 H SER A 25 4.931 -0.884 -4.028 1.00 0.28 H new ATOM 0 HA SER A 25 5.090 -3.676 -3.492 1.00 0.30 H new ATOM 0 HB2 SER A 25 4.346 -3.638 -1.189 1.00 0.37 H new ATOM 0 HB3 SER A 25 5.935 -2.914 -1.329 1.00 0.37 H new ATOM 0 HG SER A 25 3.670 -1.815 -0.370 1.00 1.20 H new ATOM 382 N VAL A 26 3.075 -1.972 -4.606 1.00 0.28 N ATOM 383 CA VAL A 26 1.764 -1.575 -5.054 1.00 0.30 C ATOM 384 C VAL A 26 1.544 -2.093 -6.463 1.00 0.30 C ATOM 385 O VAL A 26 2.512 -2.407 -7.148 1.00 0.30 O ATOM 386 CB VAL A 26 1.650 -0.035 -5.024 1.00 0.33 C ATOM 387 CG1 VAL A 26 1.505 0.463 -3.597 1.00 0.93 C ATOM 388 CG2 VAL A 26 2.882 0.576 -5.665 1.00 0.88 C ATOM 0 H VAL A 26 3.816 -1.799 -5.285 1.00 0.28 H new ATOM 0 HA VAL A 26 1.003 -1.994 -4.395 1.00 0.30 H new ATOM 0 HB VAL A 26 0.763 0.264 -5.583 1.00 0.33 H new ATOM 0 HG11 VAL A 26 1.426 1.550 -3.597 1.00 0.93 H new ATOM 0 HG12 VAL A 26 0.607 0.034 -3.151 1.00 0.93 H new ATOM 0 HG13 VAL A 26 2.377 0.163 -3.016 1.00 0.93 H new ATOM 0 HG21 VAL A 26 2.802 1.663 -5.644 1.00 0.88 H new ATOM 0 HG22 VAL A 26 3.770 0.267 -5.114 1.00 0.88 H new ATOM 0 HG23 VAL A 26 2.960 0.238 -6.698 1.00 0.88 H new ATOM 398 N THR A 27 0.290 -2.278 -6.848 1.00 0.33 N ATOM 399 CA THR A 27 -0.058 -2.452 -8.252 1.00 0.36 C ATOM 400 C THR A 27 -1.575 -2.378 -8.488 1.00 0.38 C ATOM 401 O THR A 27 -2.009 -1.731 -9.439 1.00 0.48 O ATOM 402 CB THR A 27 0.547 -3.746 -8.862 1.00 0.39 C ATOM 403 OG1 THR A 27 -0.028 -4.030 -10.147 1.00 0.47 O ATOM 404 CG2 THR A 27 0.381 -4.936 -7.935 1.00 0.39 C ATOM 0 H THR A 27 -0.504 -2.312 -6.209 1.00 0.33 H new ATOM 0 HA THR A 27 0.395 -1.612 -8.779 1.00 0.36 H new ATOM 0 HB THR A 27 1.615 -3.569 -8.991 1.00 0.39 H new ATOM 0 HG1 THR A 27 0.371 -4.848 -10.510 1.00 0.47 H new ATOM 0 HG21 THR A 27 0.817 -5.821 -8.398 1.00 0.39 H new ATOM 0 HG22 THR A 27 0.886 -4.734 -6.990 1.00 0.39 H new ATOM 0 HG23 THR A 27 -0.679 -5.108 -7.750 1.00 0.39 H new ATOM 412 N ASP A 28 -2.387 -3.005 -7.633 1.00 0.35 N ATOM 413 CA ASP A 28 -3.845 -2.940 -7.793 1.00 0.42 C ATOM 414 C ASP A 28 -4.546 -3.248 -6.483 1.00 0.35 C ATOM 415 O ASP A 28 -3.986 -3.900 -5.606 1.00 0.37 O ATOM 416 CB ASP A 28 -4.324 -3.941 -8.845 1.00 0.57 C ATOM 417 CG ASP A 28 -5.782 -3.754 -9.237 1.00 1.08 C ATOM 418 OD1 ASP A 28 -6.093 -2.796 -9.972 1.00 1.69 O ATOM 419 OD2 ASP A 28 -6.624 -4.583 -8.826 1.00 1.44 O ATOM 0 H ASP A 28 -2.069 -3.555 -6.835 1.00 0.35 H new ATOM 0 HA ASP A 28 -4.090 -1.927 -8.112 1.00 0.42 H new ATOM 0 HB2 ASP A 28 -3.701 -3.848 -9.735 1.00 0.57 H new ATOM 0 HB3 ASP A 28 -4.185 -4.952 -8.463 1.00 0.57 H new ATOM 424 N VAL A 29 -5.769 -2.776 -6.354 1.00 0.39 N ATOM 425 CA VAL A 29 -6.598 -3.105 -5.213 1.00 0.41 C ATOM 426 C VAL A 29 -8.005 -3.452 -5.687 1.00 0.37 C ATOM 427 O VAL A 29 -8.627 -2.684 -6.421 1.00 0.42 O ATOM 428 CB VAL A 29 -6.649 -1.947 -4.201 1.00 0.60 C ATOM 429 CG1 VAL A 29 -7.537 -2.312 -3.030 1.00 1.13 C ATOM 430 CG2 VAL A 29 -5.253 -1.599 -3.714 1.00 1.14 C ATOM 0 H VAL A 29 -6.214 -2.158 -7.032 1.00 0.39 H new ATOM 0 HA VAL A 29 -6.159 -3.966 -4.708 1.00 0.41 H new ATOM 0 HB VAL A 29 -7.067 -1.073 -4.700 1.00 0.60 H new ATOM 0 HG11 VAL A 29 -7.564 -1.484 -2.322 1.00 1.13 H new ATOM 0 HG12 VAL A 29 -8.546 -2.516 -3.388 1.00 1.13 H new ATOM 0 HG13 VAL A 29 -7.141 -3.199 -2.536 1.00 1.13 H new ATOM 0 HG21 VAL A 29 -5.311 -0.778 -2.999 1.00 1.14 H new ATOM 0 HG22 VAL A 29 -4.809 -2.469 -3.231 1.00 1.14 H new ATOM 0 HG23 VAL A 29 -4.636 -1.300 -4.561 1.00 1.14 H new ATOM 440 N ASP A 30 -8.497 -4.611 -5.272 1.00 0.37 N ATOM 441 CA ASP A 30 -9.753 -5.142 -5.790 1.00 0.38 C ATOM 442 C ASP A 30 -10.837 -5.163 -4.718 1.00 0.42 C ATOM 443 O ASP A 30 -10.624 -5.653 -3.606 1.00 0.54 O ATOM 444 CB ASP A 30 -9.531 -6.549 -6.342 1.00 0.51 C ATOM 445 CG ASP A 30 -10.787 -7.150 -6.940 1.00 1.00 C ATOM 446 OD1 ASP A 30 -11.238 -6.673 -8.000 1.00 1.16 O ATOM 447 OD2 ASP A 30 -11.337 -8.101 -6.345 1.00 1.83 O ATOM 0 H ASP A 30 -8.045 -5.204 -4.576 1.00 0.37 H new ATOM 0 HA ASP A 30 -10.093 -4.486 -6.591 1.00 0.38 H new ATOM 0 HB2 ASP A 30 -8.751 -6.517 -7.103 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -9.170 -7.195 -5.542 1.00 0.51 H new ATOM 452 N LEU A 31 -12.000 -4.639 -5.069 1.00 0.47 N ATOM 453 CA LEU A 31 -13.106 -4.509 -4.133 1.00 0.57 C ATOM 454 C LEU A 31 -13.971 -5.769 -4.113 1.00 0.58 C ATOM 455 O LEU A 31 -14.482 -6.207 -5.147 1.00 0.67 O ATOM 456 CB LEU A 31 -13.944 -3.269 -4.511 1.00 0.71 C ATOM 457 CG LEU A 31 -15.109 -2.887 -3.576 1.00 0.85 C ATOM 458 CD1 LEU A 31 -16.348 -3.729 -3.857 1.00 0.94 C ATOM 459 CD2 LEU A 31 -14.699 -3.020 -2.116 1.00 0.86 C ATOM 0 H LEU A 31 -12.204 -4.293 -6.007 1.00 0.47 H new ATOM 0 HA LEU A 31 -12.705 -4.382 -3.127 1.00 0.57 H new ATOM 0 HB2 LEU A 31 -13.270 -2.415 -4.576 1.00 0.71 H new ATOM 0 HB3 LEU A 31 -14.352 -3.430 -5.509 1.00 0.71 H new ATOM 0 HG LEU A 31 -15.358 -1.844 -3.774 1.00 0.85 H new ATOM 0 HD11 LEU A 31 -17.150 -3.434 -3.180 1.00 0.94 H new ATOM 0 HD12 LEU A 31 -16.667 -3.574 -4.888 1.00 0.94 H new ATOM 0 HD13 LEU A 31 -16.114 -4.783 -3.704 1.00 0.94 H new ATOM 0 HD21 LEU A 31 -15.537 -2.745 -1.476 1.00 0.86 H new ATOM 0 HD22 LEU A 31 -14.409 -4.051 -1.912 1.00 0.86 H new ATOM 0 HD23 LEU A 31 -13.856 -2.359 -1.913 1.00 0.86 H new ATOM 471 N LYS A 32 -14.109 -6.357 -2.931 1.00 0.56 N ATOM 472 CA LYS A 32 -15.106 -7.388 -2.702 1.00 0.60 C ATOM 473 C LYS A 32 -15.926 -7.028 -1.470 1.00 0.82 C ATOM 474 O LYS A 32 -16.425 -5.908 -1.392 1.00 1.33 O ATOM 475 CB LYS A 32 -14.504 -8.795 -2.593 1.00 0.62 C ATOM 476 CG LYS A 32 -13.384 -8.965 -1.580 1.00 0.65 C ATOM 477 CD LYS A 32 -12.047 -8.506 -2.138 1.00 0.90 C ATOM 478 CE LYS A 32 -11.805 -9.048 -3.543 1.00 1.10 C ATOM 479 NZ LYS A 32 -11.912 -10.534 -3.620 1.00 1.32 N ATOM 0 H LYS A 32 -13.539 -6.134 -2.115 1.00 0.56 H new ATOM 0 HA LYS A 32 -15.759 -7.423 -3.574 1.00 0.60 H new ATOM 0 HB2 LYS A 32 -15.303 -9.492 -2.341 1.00 0.62 H new ATOM 0 HB3 LYS A 32 -14.127 -9.084 -3.574 1.00 0.62 H new ATOM 0 HG2 LYS A 32 -13.618 -8.396 -0.680 1.00 0.65 H new ATOM 0 HG3 LYS A 32 -13.315 -10.012 -1.286 1.00 0.65 H new ATOM 0 HD2 LYS A 32 -12.016 -7.417 -2.158 1.00 0.90 H new ATOM 0 HD3 LYS A 32 -11.245 -8.836 -1.478 1.00 0.90 H new ATOM 0 HE2 LYS A 32 -12.526 -8.601 -4.228 1.00 1.10 H new ATOM 0 HE3 LYS A 32 -10.814 -8.743 -3.879 1.00 1.10 H new ATOM 0 HZ1 LYS A 32 -11.213 -10.898 -4.299 1.00 1.32 H new ATOM 0 HZ2 LYS A 32 -11.729 -10.944 -2.682 1.00 1.32 H new ATOM 0 HZ3 LYS A 32 -12.868 -10.797 -3.933 1.00 1.32 H new ATOM 493 N ASP A 33 -16.034 -7.931 -0.493 1.00 0.60 N ATOM 494 CA ASP A 33 -16.953 -7.711 0.620 1.00 0.94 C ATOM 495 C ASP A 33 -17.012 -8.872 1.583 1.00 0.53 C ATOM 496 O ASP A 33 -16.470 -9.948 1.326 1.00 1.46 O ATOM 497 CB ASP A 33 -18.359 -7.462 0.103 1.00 2.08 C ATOM 498 CG ASP A 33 -18.947 -8.668 -0.614 1.00 2.37 C ATOM 499 OD1 ASP A 33 -18.574 -8.917 -1.781 1.00 2.85 O ATOM 500 OD2 ASP A 33 -19.784 -9.378 -0.016 1.00 2.32 O ATOM 0 H ASP A 33 -15.507 -8.804 -0.451 1.00 0.60 H new ATOM 0 HA ASP A 33 -16.567 -6.843 1.154 1.00 0.94 H new ATOM 0 HB2 ASP A 33 -19.005 -7.191 0.938 1.00 2.08 H new ATOM 0 HB3 ASP A 33 -18.345 -6.611 -0.578 1.00 2.08 H new ATOM 571 N SER A 38 -17.820 -6.184 7.995 1.00 0.54 N ATOM 572 CA SER A 38 -16.517 -5.747 7.540 1.00 0.48 C ATOM 573 C SER A 38 -16.262 -6.219 6.121 1.00 0.50 C ATOM 574 O SER A 38 -16.028 -7.393 5.881 1.00 0.94 O ATOM 575 CB SER A 38 -15.425 -6.249 8.488 1.00 0.55 C ATOM 576 OG SER A 38 -14.138 -5.833 8.057 1.00 0.76 O ATOM 0 HA SER A 38 -16.495 -4.657 7.542 1.00 0.48 H new ATOM 0 HB2 SER A 38 -15.613 -5.874 9.494 1.00 0.55 H new ATOM 0 HB3 SER A 38 -15.459 -7.337 8.542 1.00 0.55 H new ATOM 0 HG SER A 38 -13.460 -6.166 8.682 1.00 0.76 H new ATOM 582 N VAL A 39 -16.299 -5.296 5.184 1.00 0.33 N ATOM 583 CA VAL A 39 -16.101 -5.629 3.792 1.00 0.35 C ATOM 584 C VAL A 39 -14.614 -5.856 3.545 1.00 0.31 C ATOM 585 O VAL A 39 -13.783 -5.502 4.381 1.00 0.34 O ATOM 586 CB VAL A 39 -16.703 -4.520 2.897 1.00 0.43 C ATOM 587 CG1 VAL A 39 -16.285 -4.649 1.441 1.00 0.86 C ATOM 588 CG2 VAL A 39 -18.220 -4.563 3.009 1.00 0.86 C ATOM 0 H VAL A 39 -16.465 -4.306 5.363 1.00 0.33 H new ATOM 0 HA VAL A 39 -16.620 -6.552 3.534 1.00 0.35 H new ATOM 0 HB VAL A 39 -16.319 -3.563 3.249 1.00 0.43 H new ATOM 0 HG11 VAL A 39 -16.737 -3.845 0.860 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -15.199 -4.584 1.367 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -16.619 -5.610 1.050 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -18.653 -3.784 2.381 1.00 0.86 H new ATOM 0 HG22 VAL A 39 -18.582 -5.537 2.680 1.00 0.86 H new ATOM 0 HG23 VAL A 39 -18.513 -4.398 4.046 1.00 0.86 H new ATOM 598 N GLU A 40 -14.260 -6.470 2.437 1.00 0.33 N ATOM 599 CA GLU A 40 -12.895 -6.894 2.265 1.00 0.36 C ATOM 600 C GLU A 40 -12.281 -6.341 0.993 1.00 0.38 C ATOM 601 O GLU A 40 -12.938 -6.241 -0.044 1.00 0.50 O ATOM 602 CB GLU A 40 -12.832 -8.412 2.327 1.00 0.52 C ATOM 603 CG GLU A 40 -12.314 -8.907 3.667 1.00 0.62 C ATOM 604 CD GLU A 40 -12.804 -10.293 4.026 1.00 0.89 C ATOM 605 OE1 GLU A 40 -12.808 -11.177 3.143 1.00 1.16 O ATOM 606 OE2 GLU A 40 -13.155 -10.521 5.201 1.00 1.19 O ATOM 0 H GLU A 40 -14.885 -6.682 1.659 1.00 0.33 H new ATOM 0 HA GLU A 40 -12.293 -6.487 3.078 1.00 0.36 H new ATOM 0 HB2 GLU A 40 -13.825 -8.823 2.148 1.00 0.52 H new ATOM 0 HB3 GLU A 40 -12.186 -8.781 1.530 1.00 0.52 H new ATOM 0 HG2 GLU A 40 -11.224 -8.908 3.649 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -12.619 -8.209 4.446 1.00 0.62 H new ATOM 613 N TYR A 41 -11.016 -5.966 1.097 1.00 0.37 N ATOM 614 CA TYR A 41 -10.300 -5.352 -0.025 1.00 0.56 C ATOM 615 C TYR A 41 -9.059 -6.147 -0.378 1.00 0.43 C ATOM 616 O TYR A 41 -8.059 -6.071 0.331 1.00 0.40 O ATOM 617 CB TYR A 41 -9.864 -3.927 0.318 1.00 0.89 C ATOM 618 CG TYR A 41 -10.560 -2.849 -0.479 1.00 0.86 C ATOM 619 CD1 TYR A 41 -10.714 -2.961 -1.853 1.00 1.65 C ATOM 620 CD2 TYR A 41 -11.043 -1.708 0.144 1.00 1.30 C ATOM 621 CE1 TYR A 41 -11.335 -1.968 -2.585 1.00 2.63 C ATOM 622 CE2 TYR A 41 -11.669 -0.709 -0.580 1.00 2.04 C ATOM 623 CZ TYR A 41 -11.810 -0.846 -1.947 1.00 2.72 C ATOM 624 OH TYR A 41 -12.435 0.137 -2.678 1.00 3.73 O ATOM 0 H TYR A 41 -10.458 -6.073 1.944 1.00 0.37 H new ATOM 0 HA TYR A 41 -10.988 -5.339 -0.871 1.00 0.56 H new ATOM 0 HB2 TYR A 41 -10.045 -3.751 1.378 1.00 0.89 H new ATOM 0 HB3 TYR A 41 -8.789 -3.842 0.159 1.00 0.89 H new ATOM 0 HD1 TYR A 41 -10.342 -3.840 -2.359 1.00 1.65 H new ATOM 0 HD2 TYR A 41 -10.929 -1.597 1.212 1.00 1.30 H new ATOM 0 HE1 TYR A 41 -11.447 -2.072 -3.654 1.00 2.63 H new ATOM 0 HE2 TYR A 41 -12.045 0.171 -0.080 1.00 2.04 H new ATOM 0 HH TYR A 41 -12.470 0.963 -2.152 1.00 3.73 H new ATOM 634 N LEU A 42 -9.108 -6.883 -1.475 1.00 0.41 N ATOM 635 CA LEU A 42 -7.957 -7.670 -1.890 1.00 0.38 C ATOM 636 C LEU A 42 -6.950 -6.740 -2.535 1.00 0.34 C ATOM 637 O LEU A 42 -7.177 -6.228 -3.631 1.00 0.38 O ATOM 638 CB LEU A 42 -8.381 -8.774 -2.876 1.00 0.49 C ATOM 639 CG LEU A 42 -7.415 -9.967 -3.040 1.00 0.55 C ATOM 640 CD1 LEU A 42 -6.046 -9.522 -3.532 1.00 0.71 C ATOM 641 CD2 LEU A 42 -7.283 -10.737 -1.735 1.00 0.81 C ATOM 0 H LEU A 42 -9.920 -6.953 -2.088 1.00 0.41 H new ATOM 0 HA LEU A 42 -7.511 -8.156 -1.023 1.00 0.38 H new ATOM 0 HB2 LEU A 42 -9.349 -9.161 -2.557 1.00 0.49 H new ATOM 0 HB3 LEU A 42 -8.527 -8.318 -3.855 1.00 0.49 H new ATOM 0 HG LEU A 42 -7.841 -10.627 -3.796 1.00 0.55 H new ATOM 0 HD11 LEU A 42 -5.396 -10.391 -3.634 1.00 0.71 H new ATOM 0 HD12 LEU A 42 -6.149 -9.030 -4.499 1.00 0.71 H new ATOM 0 HD13 LEU A 42 -5.611 -8.826 -2.815 1.00 0.71 H new ATOM 0 HD21 LEU A 42 -6.598 -11.573 -1.874 1.00 0.81 H new ATOM 0 HD22 LEU A 42 -6.896 -10.076 -0.960 1.00 0.81 H new ATOM 0 HD23 LEU A 42 -8.260 -11.115 -1.435 1.00 0.81 H new ATOM 653 N ALA A 43 -5.840 -6.524 -1.866 1.00 0.33 N ATOM 654 CA ALA A 43 -4.823 -5.637 -2.383 1.00 0.36 C ATOM 655 C ALA A 43 -3.699 -6.436 -3.004 1.00 0.35 C ATOM 656 O ALA A 43 -2.813 -6.939 -2.315 1.00 0.37 O ATOM 657 CB ALA A 43 -4.299 -4.712 -1.296 1.00 0.42 C ATOM 0 H ALA A 43 -5.619 -6.949 -0.965 1.00 0.33 H new ATOM 0 HA ALA A 43 -5.272 -5.014 -3.156 1.00 0.36 H new ATOM 0 HB1 ALA A 43 -3.535 -4.056 -1.714 1.00 0.42 H new ATOM 0 HB2 ALA A 43 -5.119 -4.111 -0.904 1.00 0.42 H new ATOM 0 HB3 ALA A 43 -3.867 -5.306 -0.490 1.00 0.42 H new ATOM 663 N LYS A 44 -3.746 -6.554 -4.314 1.00 0.38 N ATOM 664 CA LYS A 44 -2.694 -7.219 -5.045 1.00 0.39 C ATOM 665 C LYS A 44 -1.580 -6.215 -5.256 1.00 0.36 C ATOM 666 O LYS A 44 -1.702 -5.267 -6.023 1.00 0.47 O ATOM 667 CB LYS A 44 -3.202 -7.777 -6.381 1.00 0.53 C ATOM 668 CG LYS A 44 -4.086 -6.809 -7.137 1.00 0.95 C ATOM 669 CD LYS A 44 -5.551 -6.930 -6.731 1.00 1.58 C ATOM 670 CE LYS A 44 -6.329 -7.848 -7.659 1.00 1.61 C ATOM 671 NZ LYS A 44 -6.525 -7.239 -9.002 1.00 2.63 N ATOM 0 H LYS A 44 -4.505 -6.196 -4.894 1.00 0.38 H new ATOM 0 HA LYS A 44 -2.329 -8.075 -4.478 1.00 0.39 H new ATOM 0 HB2 LYS A 44 -2.348 -8.041 -7.005 1.00 0.53 H new ATOM 0 HB3 LYS A 44 -3.757 -8.696 -6.195 1.00 0.53 H new ATOM 0 HG2 LYS A 44 -3.744 -5.790 -6.957 1.00 0.95 H new ATOM 0 HG3 LYS A 44 -3.991 -6.992 -8.207 1.00 0.95 H new ATOM 0 HD2 LYS A 44 -5.614 -7.309 -5.711 1.00 1.58 H new ATOM 0 HD3 LYS A 44 -6.010 -5.941 -6.732 1.00 1.58 H new ATOM 0 HE2 LYS A 44 -5.798 -8.794 -7.763 1.00 1.61 H new ATOM 0 HE3 LYS A 44 -7.300 -8.074 -7.217 1.00 1.61 H new ATOM 0 HZ1 LYS A 44 -7.528 -7.301 -9.268 1.00 2.63 H new ATOM 0 HZ2 LYS A 44 -6.235 -6.241 -8.976 1.00 2.63 H new ATOM 0 HZ3 LYS A 44 -5.949 -7.749 -9.702 1.00 2.63 H new ATOM 685 N VAL A 45 -0.524 -6.405 -4.508 1.00 0.31 N ATOM 686 CA VAL A 45 0.557 -5.465 -4.425 1.00 0.33 C ATOM 687 C VAL A 45 1.804 -6.026 -5.079 1.00 0.28 C ATOM 688 O VAL A 45 1.873 -7.205 -5.388 1.00 0.30 O ATOM 689 CB VAL A 45 0.801 -5.126 -2.958 1.00 0.44 C ATOM 690 CG1 VAL A 45 -0.191 -4.081 -2.470 1.00 0.82 C ATOM 691 CG2 VAL A 45 0.688 -6.352 -2.126 1.00 0.51 C ATOM 0 H VAL A 45 -0.392 -7.234 -3.929 1.00 0.31 H new ATOM 0 HA VAL A 45 0.296 -4.553 -4.962 1.00 0.33 H new ATOM 0 HB VAL A 45 1.807 -4.718 -2.866 1.00 0.44 H new ATOM 0 HG11 VAL A 45 0.004 -3.856 -1.421 1.00 0.82 H new ATOM 0 HG12 VAL A 45 -0.083 -3.172 -3.062 1.00 0.82 H new ATOM 0 HG13 VAL A 45 -1.206 -4.465 -2.577 1.00 0.82 H new ATOM 0 HG21 VAL A 45 0.864 -6.100 -1.080 1.00 0.51 H new ATOM 0 HG22 VAL A 45 -0.311 -6.774 -2.234 1.00 0.51 H new ATOM 0 HG23 VAL A 45 1.428 -7.083 -2.452 1.00 0.51 H new ATOM 701 N SER A 46 2.756 -5.173 -5.354 1.00 0.25 N ATOM 702 CA SER A 46 3.970 -5.599 -6.026 1.00 0.25 C ATOM 703 C SER A 46 5.195 -4.867 -5.492 1.00 0.24 C ATOM 704 O SER A 46 5.421 -3.696 -5.796 1.00 0.26 O ATOM 705 CB SER A 46 3.817 -5.405 -7.530 1.00 0.28 C ATOM 706 OG SER A 46 3.214 -6.541 -8.128 1.00 0.72 O ATOM 0 H SER A 46 2.721 -4.179 -5.126 1.00 0.25 H new ATOM 0 HA SER A 46 4.126 -6.658 -5.822 1.00 0.25 H new ATOM 0 HB2 SER A 46 3.211 -4.521 -7.727 1.00 0.28 H new ATOM 0 HB3 SER A 46 4.794 -5.228 -7.979 1.00 0.28 H new ATOM 0 HG SER A 46 2.647 -6.995 -7.470 1.00 0.72 H new ATOM 712 N VAL A 47 5.982 -5.582 -4.698 1.00 0.25 N ATOM 713 CA VAL A 47 7.141 -5.017 -4.029 1.00 0.28 C ATOM 714 C VAL A 47 8.345 -4.995 -4.958 1.00 0.28 C ATOM 715 O VAL A 47 8.721 -6.020 -5.524 1.00 0.30 O ATOM 716 CB VAL A 47 7.520 -5.813 -2.756 1.00 0.41 C ATOM 717 CG1 VAL A 47 8.745 -5.204 -2.082 1.00 1.14 C ATOM 718 CG2 VAL A 47 6.350 -5.879 -1.782 1.00 1.05 C ATOM 0 H VAL A 47 5.832 -6.572 -4.501 1.00 0.25 H new ATOM 0 HA VAL A 47 6.868 -4.001 -3.744 1.00 0.28 H new ATOM 0 HB VAL A 47 7.765 -6.831 -3.059 1.00 0.41 H new ATOM 0 HG11 VAL A 47 8.993 -5.779 -1.190 1.00 1.14 H new ATOM 0 HG12 VAL A 47 9.588 -5.224 -2.773 1.00 1.14 H new ATOM 0 HG13 VAL A 47 8.531 -4.173 -1.801 1.00 1.14 H new ATOM 0 HG21 VAL A 47 6.644 -6.444 -0.897 1.00 1.05 H new ATOM 0 HG22 VAL A 47 6.063 -4.869 -1.489 1.00 1.05 H new ATOM 0 HG23 VAL A 47 5.504 -6.372 -2.262 1.00 1.05 H new ATOM 728 N THR A 48 8.938 -3.824 -5.127 1.00 0.30 N ATOM 729 CA THR A 48 10.126 -3.702 -5.942 1.00 0.31 C ATOM 730 C THR A 48 11.370 -3.625 -5.073 1.00 0.34 C ATOM 731 O THR A 48 11.477 -2.746 -4.231 1.00 0.37 O ATOM 732 CB THR A 48 10.080 -2.454 -6.838 1.00 0.36 C ATOM 733 OG1 THR A 48 8.779 -2.330 -7.429 1.00 0.41 O ATOM 734 CG2 THR A 48 11.136 -2.560 -7.930 1.00 0.41 C ATOM 0 H THR A 48 8.615 -2.951 -4.711 1.00 0.30 H new ATOM 0 HA THR A 48 10.164 -4.590 -6.573 1.00 0.31 H new ATOM 0 HB THR A 48 10.284 -1.571 -6.232 1.00 0.36 H new ATOM 0 HG1 THR A 48 8.753 -1.533 -7.998 1.00 0.41 H new ATOM 0 HG21 THR A 48 11.097 -1.672 -8.561 1.00 0.41 H new ATOM 0 HG22 THR A 48 12.123 -2.639 -7.475 1.00 0.41 H new ATOM 0 HG23 THR A 48 10.944 -3.445 -8.537 1.00 0.41 H new ATOM 742 N ASN A 49 12.283 -4.558 -5.301 1.00 0.38 N ATOM 743 CA ASN A 49 13.606 -4.583 -4.675 1.00 0.44 C ATOM 744 C ASN A 49 14.571 -3.769 -5.530 1.00 0.42 C ATOM 745 O ASN A 49 14.544 -3.896 -6.747 1.00 0.46 O ATOM 746 CB ASN A 49 14.048 -6.053 -4.625 1.00 0.59 C ATOM 747 CG ASN A 49 15.499 -6.317 -4.243 1.00 0.73 C ATOM 748 OD1 ASN A 49 16.416 -5.554 -4.524 1.00 1.48 O ATOM 749 ND2 ASN A 49 15.711 -7.456 -3.631 1.00 0.76 N ATOM 0 H ASN A 49 12.126 -5.338 -5.940 1.00 0.38 H new ATOM 0 HA ASN A 49 13.588 -4.157 -3.672 1.00 0.44 H new ATOM 0 HB2 ASN A 49 13.408 -6.577 -3.915 1.00 0.59 H new ATOM 0 HB3 ASN A 49 13.868 -6.496 -5.604 1.00 0.59 H new ATOM 0 HD21 ASN A 49 16.660 -7.729 -3.375 1.00 0.76 H new ATOM 0 HD22 ASN A 49 14.927 -8.070 -3.410 1.00 0.76 H new ATOM 756 N PRO A 50 15.400 -2.902 -4.925 1.00 0.46 N ATOM 757 CA PRO A 50 16.345 -2.058 -5.653 1.00 0.51 C ATOM 758 C PRO A 50 17.834 -2.443 -5.516 1.00 0.53 C ATOM 759 O PRO A 50 18.696 -1.677 -5.949 1.00 0.65 O ATOM 760 CB PRO A 50 16.112 -0.738 -4.936 1.00 0.64 C ATOM 761 CG PRO A 50 15.948 -1.139 -3.497 1.00 0.73 C ATOM 762 CD PRO A 50 15.416 -2.562 -3.495 1.00 0.55 C ATOM 0 HA PRO A 50 16.178 -2.100 -6.729 1.00 0.51 H new ATOM 0 HB2 PRO A 50 16.952 -0.056 -5.069 1.00 0.64 H new ATOM 0 HB3 PRO A 50 15.225 -0.228 -5.313 1.00 0.64 H new ATOM 0 HG2 PRO A 50 16.900 -1.082 -2.969 1.00 0.73 H new ATOM 0 HG3 PRO A 50 15.258 -0.468 -2.985 1.00 0.73 H new ATOM 0 HD2 PRO A 50 16.059 -3.234 -2.926 1.00 0.55 H new ATOM 0 HD3 PRO A 50 14.421 -2.622 -3.053 1.00 0.55 H new ATOM 770 N TYR A 51 18.154 -3.600 -4.933 1.00 0.53 N ATOM 771 CA TYR A 51 19.555 -3.882 -4.574 1.00 0.68 C ATOM 772 C TYR A 51 20.133 -5.103 -5.302 1.00 0.88 C ATOM 773 O TYR A 51 21.341 -5.327 -5.273 1.00 1.88 O ATOM 774 CB TYR A 51 19.681 -4.060 -3.057 1.00 0.74 C ATOM 775 CG TYR A 51 21.100 -4.283 -2.575 1.00 0.88 C ATOM 776 CD1 TYR A 51 22.108 -3.368 -2.859 1.00 1.22 C ATOM 777 CD2 TYR A 51 21.429 -5.408 -1.835 1.00 1.06 C ATOM 778 CE1 TYR A 51 23.403 -3.570 -2.414 1.00 1.63 C ATOM 779 CE2 TYR A 51 22.717 -5.617 -1.387 1.00 1.36 C ATOM 780 CZ TYR A 51 23.701 -4.698 -1.678 1.00 1.64 C ATOM 781 OH TYR A 51 24.984 -4.910 -1.228 1.00 2.08 O ATOM 0 H TYR A 51 17.490 -4.339 -4.703 1.00 0.53 H new ATOM 0 HA TYR A 51 20.142 -3.023 -4.898 1.00 0.68 H new ATOM 0 HB2 TYR A 51 19.276 -3.176 -2.564 1.00 0.74 H new ATOM 0 HB3 TYR A 51 19.067 -4.906 -2.749 1.00 0.74 H new ATOM 0 HD1 TYR A 51 21.877 -2.485 -3.436 1.00 1.22 H new ATOM 0 HD2 TYR A 51 20.663 -6.134 -1.605 1.00 1.06 H new ATOM 0 HE1 TYR A 51 24.175 -2.850 -2.641 1.00 1.63 H new ATOM 0 HE2 TYR A 51 22.953 -6.499 -0.810 1.00 1.36 H new ATOM 0 HH TYR A 51 25.020 -5.751 -0.725 1.00 2.08 H new ATOM 791 N SER A 52 19.257 -5.913 -5.884 1.00 0.69 N ATOM 792 CA SER A 52 19.642 -7.045 -6.743 1.00 0.66 C ATOM 793 C SER A 52 19.866 -8.298 -5.903 1.00 0.65 C ATOM 794 O SER A 52 20.476 -9.267 -6.347 1.00 0.77 O ATOM 795 CB SER A 52 20.887 -6.721 -7.592 1.00 0.80 C ATOM 796 OG SER A 52 21.132 -7.722 -8.565 1.00 1.51 O ATOM 0 H SER A 52 18.248 -5.808 -5.777 1.00 0.69 H new ATOM 0 HA SER A 52 18.820 -7.232 -7.435 1.00 0.66 H new ATOM 0 HB2 SER A 52 20.751 -5.759 -8.086 1.00 0.80 H new ATOM 0 HB3 SER A 52 21.756 -6.625 -6.942 1.00 0.80 H new ATOM 0 HG SER A 52 21.094 -8.605 -8.142 1.00 1.51 H new ATOM 802 N HIS A 53 19.349 -8.275 -4.685 1.00 0.58 N ATOM 803 CA HIS A 53 19.480 -9.408 -3.776 1.00 0.66 C ATOM 804 C HIS A 53 18.204 -9.547 -2.966 1.00 0.65 C ATOM 805 O HIS A 53 17.759 -8.572 -2.367 1.00 1.08 O ATOM 806 CB HIS A 53 20.682 -9.217 -2.838 1.00 0.74 C ATOM 807 CG HIS A 53 21.962 -8.929 -3.563 1.00 0.95 C ATOM 808 ND1 HIS A 53 22.265 -7.681 -4.064 1.00 1.06 N ATOM 809 CD2 HIS A 53 22.986 -9.734 -3.926 1.00 1.41 C ATOM 810 CE1 HIS A 53 23.405 -7.729 -4.710 1.00 1.43 C ATOM 811 NE2 HIS A 53 23.870 -8.962 -4.639 1.00 1.67 N ATOM 0 H HIS A 53 18.833 -7.484 -4.300 1.00 0.58 H new ATOM 0 HA HIS A 53 19.646 -10.314 -4.359 1.00 0.66 H new ATOM 0 HB2 HIS A 53 20.470 -8.398 -2.150 1.00 0.74 H new ATOM 0 HB3 HIS A 53 20.809 -10.116 -2.234 1.00 0.74 H new ATOM 0 HD1 HIS A 53 21.690 -6.847 -3.950 1.00 1.06 H new ATOM 0 HD2 HIS A 53 23.089 -10.785 -3.698 1.00 1.41 H new ATOM 0 HE1 HIS A 53 23.882 -6.901 -5.214 1.00 1.43 H new ATOM 820 N SER A 54 17.610 -10.739 -3.006 1.00 0.55 N ATOM 821 CA SER A 54 16.372 -11.059 -2.292 1.00 0.51 C ATOM 822 C SER A 54 16.305 -10.429 -0.906 1.00 0.47 C ATOM 823 O SER A 54 16.845 -10.980 0.032 1.00 0.51 O ATOM 824 CB SER A 54 16.282 -12.577 -2.129 1.00 0.61 C ATOM 825 OG SER A 54 16.618 -13.240 -3.339 1.00 1.39 O ATOM 0 H SER A 54 17.980 -11.523 -3.544 1.00 0.55 H new ATOM 0 HA SER A 54 15.546 -10.658 -2.880 1.00 0.51 H new ATOM 0 HB2 SER A 54 16.953 -12.901 -1.334 1.00 0.61 H new ATOM 0 HB3 SER A 54 15.272 -12.855 -1.826 1.00 0.61 H new ATOM 0 HG SER A 54 16.012 -12.947 -4.052 1.00 1.39 H new ATOM 831 N ILE A 55 15.564 -9.339 -0.750 1.00 0.44 N ATOM 832 CA ILE A 55 15.535 -8.651 0.536 1.00 0.49 C ATOM 833 C ILE A 55 14.644 -9.407 1.480 1.00 0.58 C ATOM 834 O ILE A 55 13.461 -9.516 1.259 1.00 1.03 O ATOM 835 CB ILE A 55 15.020 -7.210 0.434 1.00 0.49 C ATOM 836 CG1 ILE A 55 13.799 -7.125 -0.476 1.00 0.47 C ATOM 837 CG2 ILE A 55 16.126 -6.290 -0.048 1.00 0.48 C ATOM 838 CD1 ILE A 55 13.175 -5.750 -0.539 1.00 0.56 C ATOM 0 H ILE A 55 14.987 -8.919 -1.479 1.00 0.44 H new ATOM 0 HA ILE A 55 16.563 -8.611 0.897 1.00 0.49 H new ATOM 0 HB ILE A 55 14.710 -6.885 1.427 1.00 0.49 H new ATOM 0 HG12 ILE A 55 14.087 -7.429 -1.482 1.00 0.47 H new ATOM 0 HG13 ILE A 55 13.050 -7.837 -0.130 1.00 0.47 H new ATOM 0 HG21 ILE A 55 15.747 -5.270 -0.116 1.00 0.48 H new ATOM 0 HG22 ILE A 55 16.958 -6.322 0.655 1.00 0.48 H new ATOM 0 HG23 ILE A 55 16.468 -6.616 -1.030 1.00 0.48 H new ATOM 0 HD11 ILE A 55 12.313 -5.772 -1.206 1.00 0.56 H new ATOM 0 HD12 ILE A 55 12.854 -5.450 0.459 1.00 0.56 H new ATOM 0 HD13 ILE A 55 13.907 -5.035 -0.915 1.00 0.56 H new ATOM 850 N PRO A 56 15.208 -9.884 2.579 1.00 0.35 N ATOM 851 CA PRO A 56 14.638 -10.993 3.325 1.00 0.34 C ATOM 852 C PRO A 56 13.238 -10.717 3.855 1.00 0.30 C ATOM 853 O PRO A 56 12.313 -11.492 3.612 1.00 0.32 O ATOM 854 CB PRO A 56 15.626 -11.206 4.467 1.00 0.37 C ATOM 855 CG PRO A 56 16.374 -9.927 4.598 1.00 0.35 C ATOM 856 CD PRO A 56 16.393 -9.314 3.231 1.00 0.35 C ATOM 0 HA PRO A 56 14.507 -11.869 2.690 1.00 0.34 H new ATOM 0 HB2 PRO A 56 15.106 -11.452 5.393 1.00 0.37 H new ATOM 0 HB3 PRO A 56 16.301 -12.034 4.251 1.00 0.37 H new ATOM 0 HG2 PRO A 56 15.890 -9.264 5.315 1.00 0.35 H new ATOM 0 HG3 PRO A 56 17.387 -10.103 4.960 1.00 0.35 H new ATOM 0 HD2 PRO A 56 16.340 -8.226 3.279 1.00 0.35 H new ATOM 0 HD3 PRO A 56 17.307 -9.565 2.692 1.00 0.35 H new ATOM 864 N ILE A 57 13.072 -9.629 4.586 1.00 0.29 N ATOM 865 CA ILE A 57 11.780 -9.358 5.211 1.00 0.30 C ATOM 866 C ILE A 57 11.372 -7.915 4.991 1.00 0.27 C ATOM 867 O ILE A 57 12.208 -7.068 4.687 1.00 0.30 O ATOM 868 CB ILE A 57 11.790 -9.687 6.734 1.00 0.38 C ATOM 869 CG1 ILE A 57 12.285 -11.114 6.967 1.00 0.58 C ATOM 870 CG2 ILE A 57 10.408 -9.523 7.358 1.00 0.38 C ATOM 871 CD1 ILE A 57 13.775 -11.207 7.172 1.00 1.23 C ATOM 0 H ILE A 57 13.794 -8.930 4.762 1.00 0.29 H new ATOM 0 HA ILE A 57 11.049 -10.011 4.735 1.00 0.30 H new ATOM 0 HB ILE A 57 12.467 -8.979 7.212 1.00 0.38 H new ATOM 0 HG12 ILE A 57 11.780 -11.528 7.840 1.00 0.58 H new ATOM 0 HG13 ILE A 57 12.004 -11.731 6.114 1.00 0.58 H new ATOM 0 HG21 ILE A 57 10.458 -9.762 8.420 1.00 0.38 H new ATOM 0 HG22 ILE A 57 10.072 -8.494 7.233 1.00 0.38 H new ATOM 0 HG23 ILE A 57 9.705 -10.196 6.867 1.00 0.38 H new ATOM 0 HD11 ILE A 57 14.056 -12.248 7.332 1.00 1.23 H new ATOM 0 HD12 ILE A 57 14.288 -10.824 6.290 1.00 1.23 H new ATOM 0 HD13 ILE A 57 14.060 -10.617 8.043 1.00 1.23 H new ATOM 883 N CYS A 58 10.083 -7.648 5.115 1.00 0.26 N ATOM 884 CA CYS A 58 9.574 -6.319 4.926 1.00 0.24 C ATOM 885 C CYS A 58 8.401 -6.028 5.847 1.00 0.23 C ATOM 886 O CYS A 58 7.882 -6.901 6.543 1.00 0.25 O ATOM 887 CB CYS A 58 9.145 -6.110 3.475 1.00 0.26 C ATOM 888 SG CYS A 58 7.866 -7.252 2.901 1.00 1.15 S ATOM 0 H CYS A 58 9.375 -8.344 5.347 1.00 0.26 H new ATOM 0 HA CYS A 58 10.381 -5.629 5.171 1.00 0.24 H new ATOM 0 HB2 CYS A 58 8.781 -5.089 3.360 1.00 0.26 H new ATOM 0 HB3 CYS A 58 10.020 -6.211 2.832 1.00 0.26 H new ATOM 0 HG CYS A 58 7.750 -8.233 3.746 1.00 1.15 H new ATOM 894 N GLU A 59 8.019 -4.782 5.811 1.00 0.25 N ATOM 895 CA GLU A 59 6.869 -4.293 6.517 1.00 0.27 C ATOM 896 C GLU A 59 5.976 -3.558 5.549 1.00 0.29 C ATOM 897 O GLU A 59 6.361 -2.534 4.981 1.00 0.32 O ATOM 898 CB GLU A 59 7.300 -3.365 7.656 1.00 0.32 C ATOM 899 CG GLU A 59 6.144 -2.689 8.377 1.00 0.39 C ATOM 900 CD GLU A 59 6.614 -1.653 9.378 1.00 0.67 C ATOM 901 OE1 GLU A 59 7.040 -0.559 8.952 1.00 1.04 O ATOM 902 OE2 GLU A 59 6.561 -1.929 10.593 1.00 1.36 O ATOM 0 H GLU A 59 8.509 -4.063 5.279 1.00 0.25 H new ATOM 0 HA GLU A 59 6.323 -5.131 6.951 1.00 0.27 H new ATOM 0 HB2 GLU A 59 7.879 -3.939 8.379 1.00 0.32 H new ATOM 0 HB3 GLU A 59 7.962 -2.598 7.255 1.00 0.32 H new ATOM 0 HG2 GLU A 59 5.491 -2.213 7.645 1.00 0.39 H new ATOM 0 HG3 GLU A 59 5.549 -3.444 8.891 1.00 0.39 H new ATOM 909 N ILE A 60 4.801 -4.105 5.337 1.00 0.32 N ATOM 910 CA ILE A 60 3.783 -3.386 4.619 1.00 0.34 C ATOM 911 C ILE A 60 2.823 -2.736 5.601 1.00 0.31 C ATOM 912 O ILE A 60 2.047 -3.390 6.300 1.00 0.36 O ATOM 913 CB ILE A 60 3.038 -4.242 3.553 1.00 0.48 C ATOM 914 CG1 ILE A 60 3.151 -5.744 3.825 1.00 0.33 C ATOM 915 CG2 ILE A 60 3.582 -3.938 2.165 1.00 0.99 C ATOM 916 CD1 ILE A 60 2.232 -6.246 4.908 1.00 1.05 C ATOM 0 H ILE A 60 4.531 -5.038 5.650 1.00 0.32 H new ATOM 0 HA ILE A 60 4.286 -2.609 4.043 1.00 0.34 H new ATOM 0 HB ILE A 60 1.983 -3.973 3.611 1.00 0.48 H new ATOM 0 HG12 ILE A 60 2.938 -6.286 2.903 1.00 0.33 H new ATOM 0 HG13 ILE A 60 4.180 -5.976 4.101 1.00 0.33 H new ATOM 0 HG21 ILE A 60 3.054 -4.542 1.427 1.00 0.99 H new ATOM 0 HG22 ILE A 60 3.436 -2.881 1.940 1.00 0.99 H new ATOM 0 HG23 ILE A 60 4.646 -4.173 2.132 1.00 0.99 H new ATOM 0 HD11 ILE A 60 2.375 -7.319 5.038 1.00 1.05 H new ATOM 0 HD12 ILE A 60 2.458 -5.734 5.843 1.00 1.05 H new ATOM 0 HD13 ILE A 60 1.197 -6.049 4.627 1.00 1.05 H new ATOM 928 N SER A 61 2.938 -1.428 5.649 1.00 0.26 N ATOM 929 CA SER A 61 2.123 -0.612 6.518 1.00 0.25 C ATOM 930 C SER A 61 1.201 0.218 5.657 1.00 0.24 C ATOM 931 O SER A 61 1.604 1.223 5.087 1.00 0.24 O ATOM 932 CB SER A 61 2.994 0.263 7.425 1.00 0.29 C ATOM 933 OG SER A 61 4.003 0.936 6.690 1.00 0.83 O ATOM 0 H SER A 61 3.602 -0.899 5.084 1.00 0.26 H new ATOM 0 HA SER A 61 1.529 -1.244 7.178 1.00 0.25 H new ATOM 0 HB2 SER A 61 2.368 0.994 7.937 1.00 0.29 H new ATOM 0 HB3 SER A 61 3.455 -0.356 8.194 1.00 0.29 H new ATOM 0 HG SER A 61 4.410 0.316 6.049 1.00 0.83 H new ATOM 939 N PHE A 62 -0.040 -0.198 5.561 1.00 0.24 N ATOM 940 CA PHE A 62 -0.924 0.336 4.553 1.00 0.25 C ATOM 941 C PHE A 62 -2.048 1.100 5.197 1.00 0.26 C ATOM 942 O PHE A 62 -2.597 0.685 6.206 1.00 0.30 O ATOM 943 CB PHE A 62 -1.480 -0.793 3.679 1.00 0.27 C ATOM 944 CG PHE A 62 -1.931 -2.002 4.463 1.00 0.29 C ATOM 945 CD1 PHE A 62 -1.035 -3.014 4.780 1.00 0.34 C ATOM 946 CD2 PHE A 62 -3.245 -2.122 4.890 1.00 0.31 C ATOM 947 CE1 PHE A 62 -1.442 -4.118 5.505 1.00 0.40 C ATOM 948 CE2 PHE A 62 -3.655 -3.224 5.617 1.00 0.37 C ATOM 949 CZ PHE A 62 -2.753 -4.222 5.924 1.00 0.40 C ATOM 0 H PHE A 62 -0.459 -0.903 6.167 1.00 0.24 H new ATOM 0 HA PHE A 62 -0.357 1.018 3.919 1.00 0.25 H new ATOM 0 HB2 PHE A 62 -2.321 -0.412 3.100 1.00 0.27 H new ATOM 0 HB3 PHE A 62 -0.715 -1.099 2.965 1.00 0.27 H new ATOM 0 HD1 PHE A 62 -0.008 -2.938 4.456 1.00 0.34 H new ATOM 0 HD2 PHE A 62 -3.956 -1.345 4.652 1.00 0.31 H new ATOM 0 HE1 PHE A 62 -0.735 -4.899 5.743 1.00 0.40 H new ATOM 0 HE2 PHE A 62 -4.681 -3.304 5.945 1.00 0.37 H new ATOM 0 HZ PHE A 62 -3.072 -5.084 6.492 1.00 0.40 H new ATOM 959 N THR A 63 -2.335 2.236 4.625 1.00 0.25 N ATOM 960 CA THR A 63 -3.441 3.059 5.049 1.00 0.27 C ATOM 961 C THR A 63 -4.246 3.494 3.835 1.00 0.25 C ATOM 962 O THR A 63 -3.800 4.313 3.040 1.00 0.27 O ATOM 963 CB THR A 63 -2.951 4.292 5.831 1.00 0.32 C ATOM 964 OG1 THR A 63 -2.012 3.885 6.834 1.00 0.36 O ATOM 965 CG2 THR A 63 -4.114 5.016 6.492 1.00 0.38 C ATOM 0 H THR A 63 -1.805 2.623 3.844 1.00 0.25 H new ATOM 0 HA THR A 63 -4.073 2.471 5.715 1.00 0.27 H new ATOM 0 HB THR A 63 -2.472 4.974 5.129 1.00 0.32 H new ATOM 0 HG1 THR A 63 -1.701 4.671 7.329 1.00 0.36 H new ATOM 0 HG21 THR A 63 -3.740 5.883 7.038 1.00 0.38 H new ATOM 0 HG22 THR A 63 -4.819 5.344 5.729 1.00 0.38 H new ATOM 0 HG23 THR A 63 -4.617 4.341 7.184 1.00 0.38 H new ATOM 973 N PHE A 64 -5.426 2.934 3.701 1.00 0.24 N ATOM 974 CA PHE A 64 -6.286 3.225 2.582 1.00 0.24 C ATOM 975 C PHE A 64 -7.297 4.277 2.984 1.00 0.22 C ATOM 976 O PHE A 64 -7.770 4.288 4.114 1.00 0.23 O ATOM 977 CB PHE A 64 -7.024 1.969 2.121 1.00 0.27 C ATOM 978 CG PHE A 64 -6.137 0.904 1.556 1.00 0.43 C ATOM 979 CD1 PHE A 64 -5.581 -0.063 2.377 1.00 0.65 C ATOM 980 CD2 PHE A 64 -5.864 0.864 0.198 1.00 0.58 C ATOM 981 CE1 PHE A 64 -4.766 -1.047 1.855 1.00 0.90 C ATOM 982 CE2 PHE A 64 -5.052 -0.118 -0.327 1.00 0.84 C ATOM 983 CZ PHE A 64 -4.501 -1.073 0.502 1.00 0.96 C ATOM 0 H PHE A 64 -5.815 2.265 4.365 1.00 0.24 H new ATOM 0 HA PHE A 64 -5.671 3.590 1.760 1.00 0.24 H new ATOM 0 HB2 PHE A 64 -7.575 1.556 2.965 1.00 0.27 H new ATOM 0 HB3 PHE A 64 -7.759 2.250 1.367 1.00 0.27 H new ATOM 0 HD1 PHE A 64 -5.787 -0.047 3.437 1.00 0.65 H new ATOM 0 HD2 PHE A 64 -6.292 1.610 -0.455 1.00 0.58 H new ATOM 0 HE1 PHE A 64 -4.337 -1.795 2.505 1.00 0.90 H new ATOM 0 HE2 PHE A 64 -4.847 -0.140 -1.387 1.00 0.84 H new ATOM 0 HZ PHE A 64 -3.862 -1.841 0.091 1.00 0.96 H new ATOM 993 N HIS A 65 -7.578 5.184 2.073 1.00 0.24 N ATOM 994 CA HIS A 65 -8.598 6.204 2.267 1.00 0.26 C ATOM 995 C HIS A 65 -9.510 6.166 1.067 1.00 0.24 C ATOM 996 O HIS A 65 -9.060 5.848 -0.023 1.00 0.36 O ATOM 997 CB HIS A 65 -8.017 7.622 2.382 1.00 0.42 C ATOM 998 CG HIS A 65 -6.952 7.833 3.421 1.00 0.51 C ATOM 999 ND1 HIS A 65 -6.052 6.987 3.973 1.00 1.02 N flip ATOM 1000 CD2 HIS A 65 -6.695 9.069 3.977 1.00 0.53 C flip ATOM 1001 CE1 HIS A 65 -5.272 7.720 4.834 1.00 1.29 C flip ATOM 1002 NE2 HIS A 65 -5.685 8.971 4.814 1.00 1.02 N flip ATOM 0 H HIS A 65 -7.105 5.239 1.171 1.00 0.24 H new ATOM 0 HA HIS A 65 -9.116 5.989 3.201 1.00 0.26 H new ATOM 0 HB2 HIS A 65 -7.606 7.901 1.412 1.00 0.42 H new ATOM 0 HB3 HIS A 65 -8.837 8.310 2.590 1.00 0.42 H new ATOM 0 HD2 HIS A 65 -7.239 9.976 3.759 1.00 0.53 H new ATOM 0 HE1 HIS A 65 -4.456 7.335 5.428 1.00 1.29 H new ATOM 0 HE2 HIS A 65 -5.287 9.737 5.358 1.00 1.02 H new ATOM 1011 N SER A 66 -10.787 6.422 1.245 1.00 0.22 N ATOM 1012 CA SER A 66 -11.657 6.523 0.098 1.00 0.25 C ATOM 1013 C SER A 66 -11.919 7.977 -0.233 1.00 0.24 C ATOM 1014 O SER A 66 -11.042 8.648 -0.764 1.00 0.30 O ATOM 1015 CB SER A 66 -12.963 5.782 0.324 1.00 0.38 C ATOM 1016 OG SER A 66 -13.821 5.901 -0.794 1.00 1.27 O ATOM 0 H SER A 66 -11.237 6.561 2.150 1.00 0.22 H new ATOM 0 HA SER A 66 -11.155 6.054 -0.748 1.00 0.25 H new ATOM 0 HB2 SER A 66 -12.758 4.729 0.517 1.00 0.38 H new ATOM 0 HB3 SER A 66 -13.460 6.178 1.210 1.00 0.38 H new ATOM 0 HG SER A 66 -13.737 5.104 -1.357 1.00 1.27 H new ATOM 1022 N ALA A 67 -13.098 8.477 0.131 1.00 0.24 N ATOM 1023 CA ALA A 67 -13.479 9.825 -0.230 1.00 0.28 C ATOM 1024 C ALA A 67 -12.516 10.795 0.415 1.00 0.30 C ATOM 1025 O ALA A 67 -11.882 11.602 -0.260 1.00 0.36 O ATOM 1026 CB ALA A 67 -14.896 10.110 0.208 1.00 0.32 C ATOM 0 H ALA A 67 -13.796 7.967 0.672 1.00 0.24 H new ATOM 0 HA ALA A 67 -13.437 9.939 -1.313 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -15.165 11.128 -0.072 1.00 0.32 H new ATOM 0 HB2 ALA A 67 -15.575 9.409 -0.277 1.00 0.32 H new ATOM 0 HB3 ALA A 67 -14.972 9.999 1.290 1.00 0.32 H new ATOM 1032 N GLY A 68 -12.411 10.724 1.735 1.00 0.29 N ATOM 1033 CA GLY A 68 -11.325 11.355 2.429 1.00 0.32 C ATOM 1034 C GLY A 68 -11.211 10.741 3.806 1.00 0.34 C ATOM 1035 O GLY A 68 -10.557 11.281 4.694 1.00 0.39 O ATOM 0 H GLY A 68 -13.072 10.232 2.337 1.00 0.29 H new ATOM 0 HA2 GLY A 68 -10.395 11.221 1.877 1.00 0.32 H new ATOM 0 HA3 GLY A 68 -11.498 12.428 2.507 1.00 0.32 H new ATOM 1039 N ARG A 69 -11.870 9.589 3.977 1.00 0.36 N ATOM 1040 CA ARG A 69 -11.873 8.890 5.245 1.00 0.46 C ATOM 1041 C ARG A 69 -11.049 7.623 5.095 1.00 0.52 C ATOM 1042 O ARG A 69 -10.699 7.250 3.975 1.00 1.08 O ATOM 1043 CB ARG A 69 -13.306 8.578 5.726 1.00 0.48 C ATOM 1044 CG ARG A 69 -14.091 7.577 4.875 1.00 0.47 C ATOM 1045 CD ARG A 69 -15.049 8.247 3.886 1.00 0.58 C ATOM 1046 NE ARG A 69 -15.865 9.289 4.519 1.00 0.55 N ATOM 1047 CZ ARG A 69 -16.663 10.141 3.880 1.00 1.05 C ATOM 1048 NH1 ARG A 69 -16.832 10.067 2.568 1.00 1.97 N ATOM 1049 NH2 ARG A 69 -17.311 11.060 4.578 1.00 1.04 N ATOM 0 H ARG A 69 -12.407 9.128 3.243 1.00 0.36 H new ATOM 0 HA ARG A 69 -11.430 9.528 6.010 1.00 0.46 H new ATOM 0 HB2 ARG A 69 -13.252 8.196 6.745 1.00 0.48 H new ATOM 0 HB3 ARG A 69 -13.867 9.512 5.765 1.00 0.48 H new ATOM 0 HG2 ARG A 69 -13.390 6.950 4.324 1.00 0.47 H new ATOM 0 HG3 ARG A 69 -14.659 6.918 5.532 1.00 0.47 H new ATOM 0 HD2 ARG A 69 -14.476 8.684 3.068 1.00 0.58 H new ATOM 0 HD3 ARG A 69 -15.703 7.492 3.449 1.00 0.58 H new ATOM 0 HE ARG A 69 -15.817 9.367 5.535 1.00 0.55 H new ATOM 0 HH11 ARG A 69 -16.347 9.348 2.031 1.00 1.97 H new ATOM 0 HH12 ARG A 69 -17.448 10.729 2.095 1.00 1.97 H new ATOM 0 HH21 ARG A 69 -17.195 11.108 5.590 1.00 1.04 H new ATOM 0 HH22 ARG A 69 -17.927 11.721 4.104 1.00 1.04 H new ATOM 1063 N GLU A 70 -10.795 6.931 6.188 1.00 0.52 N ATOM 1064 CA GLU A 70 -9.769 5.922 6.205 1.00 0.52 C ATOM 1065 C GLU A 70 -10.377 4.569 5.957 1.00 0.67 C ATOM 1066 O GLU A 70 -10.892 3.928 6.869 1.00 1.28 O ATOM 1067 CB GLU A 70 -8.989 5.918 7.528 1.00 0.66 C ATOM 1068 CG GLU A 70 -7.838 6.915 7.582 1.00 1.35 C ATOM 1069 CD GLU A 70 -8.290 8.358 7.565 1.00 1.91 C ATOM 1070 OE1 GLU A 70 -8.431 8.928 6.469 1.00 2.61 O ATOM 1071 OE2 GLU A 70 -8.481 8.937 8.657 1.00 2.12 O ATOM 0 H GLU A 70 -11.288 7.053 7.073 1.00 0.52 H new ATOM 0 HA GLU A 70 -9.061 6.156 5.410 1.00 0.52 H new ATOM 0 HB2 GLU A 70 -9.679 6.134 8.344 1.00 0.66 H new ATOM 0 HB3 GLU A 70 -8.595 4.917 7.701 1.00 0.66 H new ATOM 0 HG2 GLU A 70 -7.254 6.736 8.485 1.00 1.35 H new ATOM 0 HG3 GLU A 70 -7.176 6.740 6.734 1.00 1.35 H new ATOM 1078 N ILE A 71 -10.339 4.172 4.703 1.00 0.28 N ATOM 1079 CA ILE A 71 -10.819 2.878 4.273 1.00 0.28 C ATOM 1080 C ILE A 71 -10.280 1.762 5.160 1.00 0.29 C ATOM 1081 O ILE A 71 -11.009 0.844 5.530 1.00 0.33 O ATOM 1082 CB ILE A 71 -10.418 2.637 2.805 1.00 0.31 C ATOM 1083 CG1 ILE A 71 -11.480 3.193 1.873 1.00 0.37 C ATOM 1084 CG2 ILE A 71 -10.192 1.174 2.538 1.00 0.30 C ATOM 1085 CD1 ILE A 71 -12.841 2.601 2.125 1.00 0.40 C ATOM 0 H ILE A 71 -9.969 4.746 3.945 1.00 0.28 H new ATOM 0 HA ILE A 71 -11.906 2.871 4.357 1.00 0.28 H new ATOM 0 HB ILE A 71 -9.479 3.159 2.618 1.00 0.31 H new ATOM 0 HG12 ILE A 71 -11.531 4.275 1.992 1.00 0.37 H new ATOM 0 HG13 ILE A 71 -11.189 2.999 0.841 1.00 0.37 H new ATOM 0 HG21 ILE A 71 -9.910 1.034 1.494 1.00 0.30 H new ATOM 0 HG22 ILE A 71 -9.393 0.806 3.182 1.00 0.30 H new ATOM 0 HG23 ILE A 71 -11.108 0.621 2.744 1.00 0.30 H new ATOM 0 HD11 ILE A 71 -13.561 3.035 1.431 1.00 0.40 H new ATOM 0 HD12 ILE A 71 -12.801 1.522 1.979 1.00 0.40 H new ATOM 0 HD13 ILE A 71 -13.148 2.818 3.148 1.00 0.40 H new ATOM 1097 N GLY A 72 -9.014 1.862 5.513 1.00 0.29 N ATOM 1098 CA GLY A 72 -8.407 0.844 6.342 1.00 0.36 C ATOM 1099 C GLY A 72 -6.942 1.116 6.572 1.00 0.34 C ATOM 1100 O GLY A 72 -6.353 1.915 5.857 1.00 0.49 O ATOM 0 H GLY A 72 -8.395 2.626 5.243 1.00 0.29 H new ATOM 0 HA2 GLY A 72 -8.924 0.799 7.300 1.00 0.36 H new ATOM 0 HA3 GLY A 72 -8.527 -0.131 5.869 1.00 0.36 H new ATOM 1104 N LYS A 73 -6.350 0.474 7.563 1.00 0.36 N ATOM 1105 CA LYS A 73 -4.915 0.595 7.785 1.00 0.35 C ATOM 1106 C LYS A 73 -4.420 -0.477 8.737 1.00 0.39 C ATOM 1107 O LYS A 73 -5.185 -1.012 9.541 1.00 0.47 O ATOM 1108 CB LYS A 73 -4.525 1.982 8.318 1.00 0.44 C ATOM 1109 CG LYS A 73 -5.043 2.287 9.702 1.00 0.61 C ATOM 1110 CD LYS A 73 -6.466 2.811 9.644 1.00 0.68 C ATOM 1111 CE LYS A 73 -7.088 2.858 11.018 1.00 1.26 C ATOM 1112 NZ LYS A 73 -6.385 3.797 11.936 1.00 1.81 N ATOM 0 H LYS A 73 -6.834 -0.133 8.224 1.00 0.36 H new ATOM 0 HA LYS A 73 -4.437 0.462 6.814 1.00 0.35 H new ATOM 0 HB2 LYS A 73 -3.438 2.063 8.324 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -4.897 2.740 7.629 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -5.008 1.386 10.315 1.00 0.61 H new ATOM 0 HG3 LYS A 73 -4.399 3.024 10.182 1.00 0.61 H new ATOM 0 HD2 LYS A 73 -6.471 3.809 9.206 1.00 0.68 H new ATOM 0 HD3 LYS A 73 -7.064 2.174 8.993 1.00 0.68 H new ATOM 0 HE2 LYS A 73 -8.132 3.157 10.929 1.00 1.26 H new ATOM 0 HE3 LYS A 73 -7.078 1.858 11.451 1.00 1.26 H new ATOM 0 HZ1 LYS A 73 -6.893 3.841 12.843 1.00 1.81 H new ATOM 0 HZ2 LYS A 73 -5.414 3.462 12.099 1.00 1.81 H new ATOM 0 HZ3 LYS A 73 -6.357 4.745 11.508 1.00 1.81 H new ATOM 1126 N GLY A 74 -3.139 -0.783 8.632 1.00 0.39 N ATOM 1127 CA GLY A 74 -2.521 -1.760 9.498 1.00 0.43 C ATOM 1128 C GLY A 74 -1.076 -1.993 9.128 1.00 0.34 C ATOM 1129 O GLY A 74 -0.627 -1.558 8.065 1.00 0.32 O ATOM 0 H GLY A 74 -2.507 -0.364 7.950 1.00 0.39 H new ATOM 0 HA2 GLY A 74 -2.583 -1.421 10.532 1.00 0.43 H new ATOM 0 HA3 GLY A 74 -3.069 -2.700 9.437 1.00 0.43 H new ATOM 1133 N LYS A 75 -0.348 -2.670 10.000 1.00 0.37 N ATOM 1134 CA LYS A 75 1.038 -3.000 9.745 1.00 0.37 C ATOM 1135 C LYS A 75 1.242 -4.500 9.838 1.00 0.39 C ATOM 1136 O LYS A 75 0.800 -5.138 10.798 1.00 0.50 O ATOM 1137 CB LYS A 75 1.968 -2.311 10.744 1.00 0.56 C ATOM 1138 CG LYS A 75 1.966 -0.798 10.668 1.00 0.84 C ATOM 1139 CD LYS A 75 3.059 -0.217 11.547 1.00 0.90 C ATOM 1140 CE LYS A 75 3.166 1.287 11.395 1.00 1.17 C ATOM 1141 NZ LYS A 75 4.326 1.836 12.150 1.00 1.72 N ATOM 0 H LYS A 75 -0.701 -3.003 10.897 1.00 0.37 H new ATOM 0 HA LYS A 75 1.280 -2.650 8.741 1.00 0.37 H new ATOM 0 HB2 LYS A 75 1.683 -2.611 11.752 1.00 0.56 H new ATOM 0 HB3 LYS A 75 2.985 -2.669 10.580 1.00 0.56 H new ATOM 0 HG2 LYS A 75 2.115 -0.480 9.636 1.00 0.84 H new ATOM 0 HG3 LYS A 75 0.996 -0.414 10.983 1.00 0.84 H new ATOM 0 HD2 LYS A 75 2.856 -0.463 12.589 1.00 0.90 H new ATOM 0 HD3 LYS A 75 4.014 -0.677 11.291 1.00 0.90 H new ATOM 0 HE2 LYS A 75 3.266 1.540 10.339 1.00 1.17 H new ATOM 0 HE3 LYS A 75 2.247 1.755 11.749 1.00 1.17 H new ATOM 0 HZ1 LYS A 75 4.367 2.867 12.022 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 4.218 1.616 13.161 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 5.205 1.408 11.795 1.00 1.72 H new ATOM 1155 N ILE A 76 1.906 -5.064 8.850 1.00 0.35 N ATOM 1156 CA ILE A 76 2.195 -6.486 8.844 1.00 0.39 C ATOM 1157 C ILE A 76 3.630 -6.730 8.368 1.00 0.34 C ATOM 1158 O ILE A 76 4.034 -6.228 7.320 1.00 0.35 O ATOM 1159 CB ILE A 76 1.211 -7.263 7.934 1.00 0.45 C ATOM 1160 CG1 ILE A 76 -0.226 -7.128 8.449 1.00 0.51 C ATOM 1161 CG2 ILE A 76 1.604 -8.732 7.833 1.00 0.56 C ATOM 1162 CD1 ILE A 76 -1.259 -7.770 7.547 1.00 0.73 C ATOM 0 H ILE A 76 2.258 -4.558 8.037 1.00 0.35 H new ATOM 0 HA ILE A 76 2.078 -6.850 9.865 1.00 0.39 H new ATOM 0 HB ILE A 76 1.263 -6.827 6.936 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -0.291 -7.578 9.439 1.00 0.51 H new ATOM 0 HG13 ILE A 76 -0.464 -6.070 8.563 1.00 0.51 H new ATOM 0 HG21 ILE A 76 0.897 -9.254 7.189 1.00 0.56 H new ATOM 0 HG22 ILE A 76 2.606 -8.812 7.412 1.00 0.56 H new ATOM 0 HG23 ILE A 76 1.590 -9.181 8.826 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -2.252 -7.634 7.976 1.00 0.73 H new ATOM 0 HD12 ILE A 76 -1.222 -7.304 6.562 1.00 0.73 H new ATOM 0 HD13 ILE A 76 -1.048 -8.835 7.452 1.00 0.73 H new ATOM 1174 N PRO A 77 4.431 -7.458 9.152 1.00 0.34 N ATOM 1175 CA PRO A 77 5.774 -7.860 8.743 1.00 0.32 C ATOM 1176 C PRO A 77 5.750 -9.148 7.913 1.00 0.33 C ATOM 1177 O PRO A 77 5.367 -10.213 8.405 1.00 0.44 O ATOM 1178 CB PRO A 77 6.479 -8.075 10.079 1.00 0.40 C ATOM 1179 CG PRO A 77 5.402 -8.521 11.014 1.00 0.57 C ATOM 1180 CD PRO A 77 4.107 -7.928 10.511 1.00 0.42 C ATOM 0 HA PRO A 77 6.266 -7.126 8.105 1.00 0.32 H new ATOM 0 HB2 PRO A 77 7.265 -8.825 9.995 1.00 0.40 H new ATOM 0 HB3 PRO A 77 6.951 -7.157 10.429 1.00 0.40 H new ATOM 0 HG2 PRO A 77 5.342 -9.609 11.043 1.00 0.57 H new ATOM 0 HG3 PRO A 77 5.610 -8.186 12.030 1.00 0.57 H new ATOM 0 HD2 PRO A 77 3.308 -8.669 10.497 1.00 0.42 H new ATOM 0 HD3 PRO A 77 3.770 -7.109 11.146 1.00 0.42 H new ATOM 1188 N ASP A 78 6.154 -9.049 6.654 1.00 0.30 N ATOM 1189 CA ASP A 78 6.079 -10.186 5.740 1.00 0.35 C ATOM 1190 C ASP A 78 7.448 -10.460 5.133 1.00 0.32 C ATOM 1191 O ASP A 78 8.193 -9.521 4.861 1.00 0.28 O ATOM 1192 CB ASP A 78 5.056 -9.901 4.634 1.00 0.39 C ATOM 1193 CG ASP A 78 4.896 -11.060 3.669 1.00 0.52 C ATOM 1194 OD1 ASP A 78 4.142 -12.000 3.984 1.00 0.79 O ATOM 1195 OD2 ASP A 78 5.524 -11.032 2.588 1.00 0.52 O ATOM 0 H ASP A 78 6.536 -8.198 6.241 1.00 0.30 H new ATOM 0 HA ASP A 78 5.760 -11.068 6.296 1.00 0.35 H new ATOM 0 HB2 ASP A 78 4.091 -9.676 5.087 1.00 0.39 H new ATOM 0 HB3 ASP A 78 5.363 -9.013 4.081 1.00 0.39 H new ATOM 1200 N PRO A 79 7.823 -11.743 4.957 1.00 0.39 N ATOM 1201 CA PRO A 79 9.072 -12.121 4.286 1.00 0.40 C ATOM 1202 C PRO A 79 9.129 -11.602 2.850 1.00 0.38 C ATOM 1203 O PRO A 79 8.733 -12.287 1.904 1.00 0.47 O ATOM 1204 CB PRO A 79 9.058 -13.655 4.310 1.00 0.52 C ATOM 1205 CG PRO A 79 8.107 -14.013 5.399 1.00 0.58 C ATOM 1206 CD PRO A 79 7.073 -12.923 5.413 1.00 0.49 C ATOM 0 HA PRO A 79 9.944 -11.694 4.781 1.00 0.40 H new ATOM 0 HB2 PRO A 79 8.733 -14.062 3.352 1.00 0.52 H new ATOM 0 HB3 PRO A 79 10.052 -14.056 4.506 1.00 0.52 H new ATOM 0 HG2 PRO A 79 7.649 -14.985 5.214 1.00 0.58 H new ATOM 0 HG3 PRO A 79 8.619 -14.079 6.359 1.00 0.58 H new ATOM 0 HD2 PRO A 79 6.239 -13.151 4.750 1.00 0.49 H new ATOM 0 HD3 PRO A 79 6.657 -12.775 6.410 1.00 0.49 H new ATOM 1214 N GLY A 80 9.623 -10.379 2.707 1.00 0.34 N ATOM 1215 CA GLY A 80 9.683 -9.720 1.420 1.00 0.40 C ATOM 1216 C GLY A 80 10.836 -10.190 0.557 1.00 0.35 C ATOM 1217 O GLY A 80 11.221 -9.512 -0.393 1.00 0.40 O ATOM 0 H GLY A 80 9.990 -9.823 3.479 1.00 0.34 H new ATOM 0 HA2 GLY A 80 8.747 -9.892 0.888 1.00 0.40 H new ATOM 0 HA3 GLY A 80 9.769 -8.644 1.574 1.00 0.40 H new ATOM 1221 N SER A 81 11.369 -11.357 0.873 1.00 0.34 N ATOM 1222 CA SER A 81 12.531 -11.889 0.185 1.00 0.36 C ATOM 1223 C SER A 81 12.141 -12.296 -1.233 1.00 0.37 C ATOM 1224 O SER A 81 11.270 -13.149 -1.425 1.00 0.43 O ATOM 1225 CB SER A 81 13.066 -13.083 0.980 1.00 0.41 C ATOM 1226 OG SER A 81 12.139 -14.155 0.979 1.00 0.62 O ATOM 0 H SER A 81 11.009 -11.961 1.612 1.00 0.34 H new ATOM 0 HA SER A 81 13.315 -11.135 0.114 1.00 0.36 H new ATOM 0 HB2 SER A 81 14.011 -13.415 0.551 1.00 0.41 H new ATOM 0 HB3 SER A 81 13.272 -12.778 2.006 1.00 0.41 H new ATOM 0 HG SER A 81 11.621 -14.139 0.147 1.00 0.62 H new ATOM 1232 N LEU A 82 12.776 -11.682 -2.230 1.00 0.37 N ATOM 1233 CA LEU A 82 12.249 -11.769 -3.603 1.00 0.39 C ATOM 1234 C LEU A 82 13.347 -11.878 -4.652 1.00 0.49 C ATOM 1235 O LEU A 82 14.502 -12.109 -4.326 1.00 0.82 O ATOM 1236 CB LEU A 82 11.373 -10.550 -3.937 1.00 0.36 C ATOM 1237 CG LEU A 82 12.137 -9.263 -4.263 1.00 0.52 C ATOM 1238 CD1 LEU A 82 11.225 -8.238 -4.915 1.00 1.10 C ATOM 1239 CD2 LEU A 82 12.752 -8.688 -3.010 1.00 1.08 C ATOM 0 H LEU A 82 13.630 -11.134 -2.126 1.00 0.37 H new ATOM 0 HA LEU A 82 11.653 -12.681 -3.633 1.00 0.39 H new ATOM 0 HB2 LEU A 82 10.739 -10.801 -4.787 1.00 0.36 H new ATOM 0 HB3 LEU A 82 10.712 -10.356 -3.092 1.00 0.36 H new ATOM 0 HG LEU A 82 12.931 -9.510 -4.967 1.00 0.52 H new ATOM 0 HD11 LEU A 82 11.793 -7.334 -5.136 1.00 1.10 H new ATOM 0 HD12 LEU A 82 10.820 -8.648 -5.841 1.00 1.10 H new ATOM 0 HD13 LEU A 82 10.407 -7.996 -4.237 1.00 1.10 H new ATOM 0 HD21 LEU A 82 13.292 -7.774 -3.256 1.00 1.08 H new ATOM 0 HD22 LEU A 82 11.966 -8.462 -2.289 1.00 1.08 H new ATOM 0 HD23 LEU A 82 13.443 -9.412 -2.578 1.00 1.08 H new ATOM 1251 N LYS A 83 12.944 -11.664 -5.910 1.00 0.40 N ATOM 1252 CA LYS A 83 13.803 -11.818 -7.085 1.00 0.46 C ATOM 1253 C LYS A 83 15.200 -11.228 -6.884 1.00 0.47 C ATOM 1254 O LYS A 83 16.094 -11.914 -6.381 1.00 0.63 O ATOM 1255 CB LYS A 83 13.129 -11.166 -8.298 1.00 0.52 C ATOM 1256 CG LYS A 83 11.705 -11.653 -8.525 1.00 0.58 C ATOM 1257 CD LYS A 83 11.068 -11.021 -9.747 1.00 0.68 C ATOM 1258 CE LYS A 83 9.626 -11.475 -9.907 1.00 1.08 C ATOM 1259 NZ LYS A 83 8.968 -10.823 -11.065 1.00 1.84 N ATOM 0 H LYS A 83 11.994 -11.374 -6.142 1.00 0.40 H new ATOM 0 HA LYS A 83 13.935 -12.887 -7.252 1.00 0.46 H new ATOM 0 HB2 LYS A 83 13.119 -10.084 -8.163 1.00 0.52 H new ATOM 0 HB3 LYS A 83 13.723 -11.370 -9.189 1.00 0.52 H new ATOM 0 HG2 LYS A 83 11.708 -12.737 -8.639 1.00 0.58 H new ATOM 0 HG3 LYS A 83 11.102 -11.427 -7.646 1.00 0.58 H new ATOM 0 HD2 LYS A 83 11.103 -9.935 -9.659 1.00 0.68 H new ATOM 0 HD3 LYS A 83 11.638 -11.288 -10.637 1.00 0.68 H new ATOM 0 HE2 LYS A 83 9.598 -12.557 -10.035 1.00 1.08 H new ATOM 0 HE3 LYS A 83 9.070 -11.247 -8.997 1.00 1.08 H new ATOM 0 HZ1 LYS A 83 8.200 -11.430 -11.415 1.00 1.84 H new ATOM 0 HZ2 LYS A 83 8.577 -9.905 -10.771 1.00 1.84 H new ATOM 0 HZ3 LYS A 83 9.665 -10.676 -11.823 1.00 1.84 H new ATOM 1273 N ALA A 84 15.366 -9.952 -7.251 1.00 0.47 N ATOM 1274 CA ALA A 84 16.664 -9.299 -7.269 1.00 0.50 C ATOM 1275 C ALA A 84 16.542 -8.022 -8.068 1.00 0.58 C ATOM 1276 O ALA A 84 16.435 -8.073 -9.293 1.00 0.99 O ATOM 1277 CB ALA A 84 17.738 -10.187 -7.883 1.00 0.56 C ATOM 0 H ALA A 84 14.597 -9.349 -7.543 1.00 0.47 H new ATOM 0 HA ALA A 84 16.964 -9.090 -6.242 1.00 0.50 H new ATOM 0 HB1 ALA A 84 18.693 -9.661 -7.877 1.00 0.56 H new ATOM 0 HB2 ALA A 84 17.826 -11.105 -7.303 1.00 0.56 H new ATOM 0 HB3 ALA A 84 17.465 -10.431 -8.910 1.00 0.56 H new ATOM 1283 N LYS A 85 16.522 -6.894 -7.357 1.00 0.49 N ATOM 1284 CA LYS A 85 16.326 -5.572 -7.957 1.00 0.54 C ATOM 1285 C LYS A 85 15.203 -5.598 -8.997 1.00 0.53 C ATOM 1286 O LYS A 85 15.348 -5.104 -10.116 1.00 0.61 O ATOM 1287 CB LYS A 85 17.623 -5.008 -8.554 1.00 0.65 C ATOM 1288 CG LYS A 85 18.210 -5.839 -9.675 1.00 1.07 C ATOM 1289 CD LYS A 85 18.941 -4.964 -10.670 1.00 1.25 C ATOM 1290 CE LYS A 85 20.313 -4.564 -10.163 1.00 1.60 C ATOM 1291 NZ LYS A 85 21.006 -3.651 -11.108 1.00 1.84 N ATOM 0 H LYS A 85 16.642 -6.871 -6.344 1.00 0.49 H new ATOM 0 HA LYS A 85 16.027 -4.899 -7.154 1.00 0.54 H new ATOM 0 HB2 LYS A 85 17.429 -4.002 -8.927 1.00 0.65 H new ATOM 0 HB3 LYS A 85 18.364 -4.916 -7.760 1.00 0.65 H new ATOM 0 HG2 LYS A 85 18.896 -6.580 -9.263 1.00 1.07 H new ATOM 0 HG3 LYS A 85 17.415 -6.387 -10.181 1.00 1.07 H new ATOM 0 HD2 LYS A 85 19.043 -5.496 -11.616 1.00 1.25 H new ATOM 0 HD3 LYS A 85 18.352 -4.069 -10.870 1.00 1.25 H new ATOM 0 HE2 LYS A 85 20.214 -4.076 -9.193 1.00 1.60 H new ATOM 0 HE3 LYS A 85 20.919 -5.457 -10.010 1.00 1.60 H new ATOM 0 HZ1 LYS A 85 21.940 -3.400 -10.726 1.00 1.84 H new ATOM 0 HZ2 LYS A 85 21.123 -4.125 -12.026 1.00 1.84 H new ATOM 0 HZ3 LYS A 85 20.440 -2.787 -11.234 1.00 1.84 H new ATOM 1305 N ASP A 86 14.067 -6.135 -8.586 1.00 0.48 N ATOM 1306 CA ASP A 86 12.951 -6.351 -9.488 1.00 0.46 C ATOM 1307 C ASP A 86 11.655 -6.288 -8.690 1.00 0.40 C ATOM 1308 O ASP A 86 11.668 -5.940 -7.512 1.00 0.38 O ATOM 1309 CB ASP A 86 13.098 -7.705 -10.211 1.00 0.49 C ATOM 1310 CG ASP A 86 12.204 -7.830 -11.438 1.00 0.53 C ATOM 1311 OD1 ASP A 86 11.050 -8.286 -11.298 1.00 0.55 O ATOM 1312 OD2 ASP A 86 12.646 -7.469 -12.548 1.00 0.64 O ATOM 0 H ASP A 86 13.894 -6.431 -7.625 1.00 0.48 H new ATOM 0 HA ASP A 86 12.936 -5.574 -10.252 1.00 0.46 H new ATOM 0 HB2 ASP A 86 14.137 -7.838 -10.512 1.00 0.49 H new ATOM 0 HB3 ASP A 86 12.862 -8.509 -9.514 1.00 0.49 H new ATOM 1317 N MET A 87 10.561 -6.664 -9.309 1.00 0.39 N ATOM 1318 CA MET A 87 9.255 -6.474 -8.717 1.00 0.35 C ATOM 1319 C MET A 87 8.583 -7.813 -8.471 1.00 0.34 C ATOM 1320 O MET A 87 8.382 -8.598 -9.398 1.00 0.37 O ATOM 1321 CB MET A 87 8.388 -5.593 -9.617 1.00 0.35 C ATOM 1322 CG MET A 87 7.108 -5.125 -8.950 1.00 0.35 C ATOM 1323 SD MET A 87 6.041 -4.184 -10.064 1.00 0.41 S ATOM 1324 CE MET A 87 7.093 -2.777 -10.424 1.00 1.35 C ATOM 0 H MET A 87 10.548 -7.106 -10.228 1.00 0.39 H new ATOM 0 HA MET A 87 9.378 -5.972 -7.757 1.00 0.35 H new ATOM 0 HB2 MET A 87 8.967 -4.723 -9.927 1.00 0.35 H new ATOM 0 HB3 MET A 87 8.136 -6.147 -10.521 1.00 0.35 H new ATOM 0 HG2 MET A 87 6.561 -5.991 -8.576 1.00 0.35 H new ATOM 0 HG3 MET A 87 7.358 -4.508 -8.087 1.00 0.35 H new ATOM 0 HE1 MET A 87 6.555 -2.074 -11.060 1.00 1.35 H new ATOM 0 HE2 MET A 87 7.372 -2.284 -9.493 1.00 1.35 H new ATOM 0 HE3 MET A 87 7.992 -3.117 -10.939 1.00 1.35 H new ATOM 1334 N THR A 88 8.248 -8.066 -7.217 1.00 0.31 N ATOM 1335 CA THR A 88 7.613 -9.309 -6.821 1.00 0.30 C ATOM 1336 C THR A 88 6.134 -9.067 -6.548 1.00 0.27 C ATOM 1337 O THR A 88 5.755 -8.007 -6.046 1.00 0.27 O ATOM 1338 CB THR A 88 8.281 -9.909 -5.560 1.00 0.32 C ATOM 1339 OG1 THR A 88 7.822 -11.251 -5.347 1.00 0.77 O ATOM 1340 CG2 THR A 88 7.975 -9.082 -4.318 1.00 0.54 C ATOM 0 H THR A 88 8.409 -7.416 -6.447 1.00 0.31 H new ATOM 0 HA THR A 88 7.728 -10.021 -7.638 1.00 0.30 H new ATOM 0 HB THR A 88 9.358 -9.903 -5.729 1.00 0.32 H new ATOM 0 HG1 THR A 88 8.252 -11.621 -4.548 1.00 0.77 H new ATOM 0 HG21 THR A 88 8.460 -9.533 -3.452 1.00 0.54 H new ATOM 0 HG22 THR A 88 8.348 -8.067 -4.456 1.00 0.54 H new ATOM 0 HG23 THR A 88 6.897 -9.053 -4.156 1.00 0.54 H new ATOM 1348 N ALA A 89 5.297 -10.024 -6.900 1.00 0.27 N ATOM 1349 CA ALA A 89 3.873 -9.877 -6.678 1.00 0.28 C ATOM 1350 C ALA A 89 3.528 -10.236 -5.239 1.00 0.29 C ATOM 1351 O ALA A 89 3.550 -11.401 -4.847 1.00 0.48 O ATOM 1352 CB ALA A 89 3.079 -10.722 -7.658 1.00 0.31 C ATOM 0 H ALA A 89 5.575 -10.903 -7.337 1.00 0.27 H new ATOM 0 HA ALA A 89 3.601 -8.835 -6.848 1.00 0.28 H new ATOM 0 HB1 ALA A 89 2.013 -10.593 -7.469 1.00 0.31 H new ATOM 0 HB2 ALA A 89 3.308 -10.409 -8.677 1.00 0.31 H new ATOM 0 HB3 ALA A 89 3.345 -11.771 -7.533 1.00 0.31 H new ATOM 1358 N LEU A 90 3.230 -9.214 -4.465 1.00 0.27 N ATOM 1359 CA LEU A 90 2.884 -9.360 -3.066 1.00 0.30 C ATOM 1360 C LEU A 90 1.366 -9.283 -2.912 1.00 0.29 C ATOM 1361 O LEU A 90 0.641 -9.105 -3.895 1.00 0.32 O ATOM 1362 CB LEU A 90 3.554 -8.262 -2.232 1.00 0.35 C ATOM 1363 CG LEU A 90 3.363 -8.389 -0.719 1.00 0.40 C ATOM 1364 CD1 LEU A 90 4.430 -9.280 -0.102 1.00 0.77 C ATOM 1365 CD2 LEU A 90 3.332 -7.025 -0.060 1.00 0.72 C ATOM 0 H LEU A 90 3.221 -8.248 -4.792 1.00 0.27 H new ATOM 0 HA LEU A 90 3.238 -10.327 -2.708 1.00 0.30 H new ATOM 0 HB2 LEU A 90 4.622 -8.263 -2.449 1.00 0.35 H new ATOM 0 HB3 LEU A 90 3.165 -7.296 -2.552 1.00 0.35 H new ATOM 0 HG LEU A 90 2.398 -8.865 -0.542 1.00 0.40 H new ATOM 0 HD11 LEU A 90 4.268 -9.351 0.974 1.00 0.77 H new ATOM 0 HD12 LEU A 90 4.373 -10.275 -0.544 1.00 0.77 H new ATOM 0 HD13 LEU A 90 5.415 -8.854 -0.293 1.00 0.77 H new ATOM 0 HD21 LEU A 90 3.195 -7.143 1.015 1.00 0.72 H new ATOM 0 HD22 LEU A 90 4.272 -6.507 -0.251 1.00 0.72 H new ATOM 0 HD23 LEU A 90 2.507 -6.442 -0.469 1.00 0.72 H new ATOM 1377 N ASP A 91 0.888 -9.436 -1.692 1.00 0.35 N ATOM 1378 CA ASP A 91 -0.537 -9.401 -1.423 1.00 0.43 C ATOM 1379 C ASP A 91 -0.829 -8.791 -0.049 1.00 0.43 C ATOM 1380 O ASP A 91 -0.240 -9.201 0.952 1.00 0.52 O ATOM 1381 CB ASP A 91 -1.094 -10.826 -1.504 1.00 0.63 C ATOM 1382 CG ASP A 91 -2.536 -10.955 -1.043 1.00 1.07 C ATOM 1383 OD1 ASP A 91 -2.764 -11.137 0.168 1.00 1.81 O ATOM 1384 OD2 ASP A 91 -3.444 -10.823 -1.890 1.00 1.67 O ATOM 0 H ASP A 91 1.469 -9.587 -0.867 1.00 0.35 H new ATOM 0 HA ASP A 91 -1.022 -8.772 -2.169 1.00 0.43 H new ATOM 0 HB2 ASP A 91 -1.020 -11.176 -2.534 1.00 0.63 H new ATOM 0 HB3 ASP A 91 -0.470 -11.484 -0.899 1.00 0.63 H new ATOM 1389 N ILE A 92 -1.705 -7.799 -0.010 1.00 0.39 N ATOM 1390 CA ILE A 92 -2.322 -7.373 1.238 1.00 0.38 C ATOM 1391 C ILE A 92 -3.735 -7.939 1.271 1.00 0.38 C ATOM 1392 O ILE A 92 -4.546 -7.606 0.411 1.00 0.54 O ATOM 1393 CB ILE A 92 -2.354 -5.825 1.424 1.00 0.43 C ATOM 1394 CG1 ILE A 92 -1.057 -5.320 2.063 1.00 0.52 C ATOM 1395 CG2 ILE A 92 -3.545 -5.395 2.276 1.00 0.52 C ATOM 1396 CD1 ILE A 92 0.132 -5.294 1.136 1.00 0.65 C ATOM 0 H ILE A 92 -2.006 -7.272 -0.830 1.00 0.39 H new ATOM 0 HA ILE A 92 -1.718 -7.751 2.063 1.00 0.38 H new ATOM 0 HB ILE A 92 -2.455 -5.384 0.432 1.00 0.43 H new ATOM 0 HG12 ILE A 92 -1.224 -4.313 2.446 1.00 0.52 H new ATOM 0 HG13 ILE A 92 -0.820 -5.951 2.919 1.00 0.52 H new ATOM 0 HG21 ILE A 92 -3.540 -4.311 2.388 1.00 0.52 H new ATOM 0 HG22 ILE A 92 -4.470 -5.705 1.791 1.00 0.52 H new ATOM 0 HG23 ILE A 92 -3.476 -5.861 3.259 1.00 0.52 H new ATOM 0 HD11 ILE A 92 1.005 -4.923 1.674 1.00 0.65 H new ATOM 0 HD12 ILE A 92 0.332 -6.302 0.772 1.00 0.65 H new ATOM 0 HD13 ILE A 92 -0.079 -4.638 0.291 1.00 0.65 H new ATOM 1408 N PRO A 93 -4.003 -8.828 2.249 1.00 0.41 N ATOM 1409 CA PRO A 93 -5.241 -9.608 2.367 1.00 0.55 C ATOM 1410 C PRO A 93 -6.507 -8.915 1.857 1.00 0.61 C ATOM 1411 O PRO A 93 -6.761 -8.892 0.657 1.00 1.07 O ATOM 1412 CB PRO A 93 -5.315 -9.860 3.869 1.00 0.67 C ATOM 1413 CG PRO A 93 -3.892 -10.009 4.287 1.00 0.70 C ATOM 1414 CD PRO A 93 -3.073 -9.161 3.339 1.00 0.52 C ATOM 0 HA PRO A 93 -5.206 -10.501 1.743 1.00 0.55 H new ATOM 0 HB2 PRO A 93 -5.798 -9.032 4.388 1.00 0.67 H new ATOM 0 HB3 PRO A 93 -5.892 -10.757 4.094 1.00 0.67 H new ATOM 0 HG2 PRO A 93 -3.754 -9.681 5.317 1.00 0.70 H new ATOM 0 HG3 PRO A 93 -3.581 -11.053 4.240 1.00 0.70 H new ATOM 0 HD2 PRO A 93 -2.700 -8.263 3.831 1.00 0.52 H new ATOM 0 HD3 PRO A 93 -2.205 -9.706 2.968 1.00 0.52 H new ATOM 1422 N VAL A 94 -7.314 -8.373 2.764 1.00 0.38 N ATOM 1423 CA VAL A 94 -8.614 -7.826 2.391 1.00 0.34 C ATOM 1424 C VAL A 94 -9.170 -6.913 3.488 1.00 0.34 C ATOM 1425 O VAL A 94 -9.866 -7.372 4.368 1.00 0.36 O ATOM 1426 CB VAL A 94 -9.629 -8.970 2.133 1.00 0.36 C ATOM 1427 CG1 VAL A 94 -9.659 -9.386 0.671 1.00 0.42 C ATOM 1428 CG2 VAL A 94 -9.313 -10.177 3.012 1.00 0.46 C ATOM 0 H VAL A 94 -7.092 -8.301 3.757 1.00 0.38 H new ATOM 0 HA VAL A 94 -8.471 -7.243 1.481 1.00 0.34 H new ATOM 0 HB VAL A 94 -10.616 -8.587 2.390 1.00 0.36 H new ATOM 0 HG11 VAL A 94 -10.383 -10.189 0.536 1.00 0.42 H new ATOM 0 HG12 VAL A 94 -9.945 -8.533 0.056 1.00 0.42 H new ATOM 0 HG13 VAL A 94 -8.671 -9.735 0.372 1.00 0.42 H new ATOM 0 HG21 VAL A 94 -10.036 -10.969 2.816 1.00 0.46 H new ATOM 0 HG22 VAL A 94 -8.310 -10.538 2.787 1.00 0.46 H new ATOM 0 HG23 VAL A 94 -9.367 -9.887 4.061 1.00 0.46 H new ATOM 1438 N VAL A 95 -8.939 -5.612 3.405 1.00 0.35 N ATOM 1439 CA VAL A 95 -9.264 -4.746 4.539 1.00 0.35 C ATOM 1440 C VAL A 95 -10.116 -3.516 4.184 1.00 0.36 C ATOM 1441 O VAL A 95 -9.631 -2.564 3.573 1.00 0.44 O ATOM 1442 CB VAL A 95 -7.967 -4.294 5.237 1.00 0.42 C ATOM 1443 CG1 VAL A 95 -7.047 -3.593 4.249 1.00 0.48 C ATOM 1444 CG2 VAL A 95 -8.268 -3.400 6.430 1.00 0.45 C ATOM 0 H VAL A 95 -8.541 -5.139 2.594 1.00 0.35 H new ATOM 0 HA VAL A 95 -9.879 -5.351 5.206 1.00 0.35 H new ATOM 0 HB VAL A 95 -7.456 -5.181 5.611 1.00 0.42 H new ATOM 0 HG11 VAL A 95 -6.136 -3.280 4.759 1.00 0.48 H new ATOM 0 HG12 VAL A 95 -6.793 -4.277 3.440 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -7.552 -2.718 3.839 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -7.334 -3.097 6.902 1.00 0.45 H new ATOM 0 HG22 VAL A 95 -8.809 -2.515 6.094 1.00 0.45 H new ATOM 0 HG23 VAL A 95 -8.878 -3.946 7.150 1.00 0.45 H new ATOM 1454 N VAL A 96 -11.401 -3.556 4.513 1.00 0.34 N ATOM 1455 CA VAL A 96 -12.186 -2.331 4.589 1.00 0.34 C ATOM 1456 C VAL A 96 -13.369 -2.468 5.552 1.00 0.36 C ATOM 1457 O VAL A 96 -14.404 -3.044 5.203 1.00 0.47 O ATOM 1458 CB VAL A 96 -12.648 -1.835 3.204 1.00 0.45 C ATOM 1459 CG1 VAL A 96 -13.329 -2.934 2.408 1.00 1.02 C ATOM 1460 CG2 VAL A 96 -13.553 -0.623 3.348 1.00 1.07 C ATOM 0 H VAL A 96 -11.916 -4.410 4.729 1.00 0.34 H new ATOM 0 HA VAL A 96 -11.518 -1.569 4.992 1.00 0.34 H new ATOM 0 HB VAL A 96 -11.760 -1.539 2.645 1.00 0.45 H new ATOM 0 HG11 VAL A 96 -13.639 -2.543 1.439 1.00 1.02 H new ATOM 0 HG12 VAL A 96 -12.634 -3.760 2.260 1.00 1.02 H new ATOM 0 HG13 VAL A 96 -14.204 -3.289 2.953 1.00 1.02 H new ATOM 0 HG21 VAL A 96 -13.870 -0.286 2.361 1.00 1.07 H new ATOM 0 HG22 VAL A 96 -14.429 -0.891 3.938 1.00 1.07 H new ATOM 0 HG23 VAL A 96 -13.010 0.179 3.848 1.00 1.07 H new ATOM 1470 N PRO A 97 -13.239 -1.959 6.784 1.00 0.34 N ATOM 1471 CA PRO A 97 -14.346 -1.959 7.739 1.00 0.36 C ATOM 1472 C PRO A 97 -15.591 -1.311 7.140 1.00 0.33 C ATOM 1473 O PRO A 97 -15.517 -0.225 6.559 1.00 0.34 O ATOM 1474 CB PRO A 97 -13.815 -1.142 8.916 1.00 0.41 C ATOM 1475 CG PRO A 97 -12.331 -1.248 8.814 1.00 0.48 C ATOM 1476 CD PRO A 97 -12.020 -1.355 7.347 1.00 0.36 C ATOM 0 HA PRO A 97 -14.649 -2.965 8.028 1.00 0.36 H new ATOM 0 HB2 PRO A 97 -14.143 -0.104 8.857 1.00 0.41 H new ATOM 0 HB3 PRO A 97 -14.175 -1.536 9.866 1.00 0.41 H new ATOM 0 HG2 PRO A 97 -11.847 -0.375 9.252 1.00 0.48 H new ATOM 0 HG3 PRO A 97 -11.965 -2.121 9.355 1.00 0.48 H new ATOM 0 HD2 PRO A 97 -11.815 -0.379 6.907 1.00 0.36 H new ATOM 0 HD3 PRO A 97 -11.143 -1.977 7.166 1.00 0.36 H new ATOM 1484 N TYR A 98 -16.727 -1.988 7.281 1.00 0.35 N ATOM 1485 CA TYR A 98 -17.972 -1.567 6.640 1.00 0.37 C ATOM 1486 C TYR A 98 -18.334 -0.118 6.968 1.00 0.36 C ATOM 1487 O TYR A 98 -18.890 0.587 6.128 1.00 0.39 O ATOM 1488 CB TYR A 98 -19.111 -2.519 7.034 1.00 0.47 C ATOM 1489 CG TYR A 98 -20.500 -1.970 6.780 1.00 0.60 C ATOM 1490 CD1 TYR A 98 -20.976 -1.781 5.487 1.00 1.04 C ATOM 1491 CD2 TYR A 98 -21.339 -1.642 7.840 1.00 0.90 C ATOM 1492 CE1 TYR A 98 -22.244 -1.280 5.259 1.00 1.23 C ATOM 1493 CE2 TYR A 98 -22.606 -1.143 7.619 1.00 1.06 C ATOM 1494 CZ TYR A 98 -23.054 -0.964 6.328 1.00 1.08 C ATOM 1495 OH TYR A 98 -24.316 -0.463 6.109 1.00 1.31 O ATOM 0 H TYR A 98 -16.812 -2.838 7.838 1.00 0.35 H new ATOM 0 HA TYR A 98 -17.821 -1.614 5.561 1.00 0.37 H new ATOM 0 HB2 TYR A 98 -18.996 -3.452 6.483 1.00 0.47 H new ATOM 0 HB3 TYR A 98 -19.017 -2.761 8.093 1.00 0.47 H new ATOM 0 HD1 TYR A 98 -20.344 -2.030 4.647 1.00 1.04 H new ATOM 0 HD2 TYR A 98 -20.992 -1.780 8.853 1.00 0.90 H new ATOM 0 HE1 TYR A 98 -22.598 -1.137 4.249 1.00 1.23 H new ATOM 0 HE2 TYR A 98 -23.244 -0.894 8.454 1.00 1.06 H new ATOM 0 HH TYR A 98 -24.755 -0.294 6.969 1.00 1.31 H new ATOM 1505 N SER A 99 -17.995 0.324 8.170 1.00 0.37 N ATOM 1506 CA SER A 99 -18.293 1.684 8.601 1.00 0.41 C ATOM 1507 C SER A 99 -17.708 2.721 7.642 1.00 0.38 C ATOM 1508 O SER A 99 -18.289 3.786 7.436 1.00 0.39 O ATOM 1509 CB SER A 99 -17.747 1.904 10.010 1.00 0.50 C ATOM 1510 OG SER A 99 -18.158 0.852 10.866 1.00 1.20 O ATOM 0 H SER A 99 -17.511 -0.241 8.868 1.00 0.37 H new ATOM 0 HA SER A 99 -19.376 1.811 8.601 1.00 0.41 H new ATOM 0 HB2 SER A 99 -16.659 1.955 9.982 1.00 0.50 H new ATOM 0 HB3 SER A 99 -18.101 2.858 10.400 1.00 0.50 H new ATOM 0 HG SER A 99 -17.800 1.004 11.766 1.00 1.20 H new ATOM 1516 N ILE A 100 -16.576 2.402 7.031 1.00 0.36 N ATOM 1517 CA ILE A 100 -15.910 3.357 6.162 1.00 0.37 C ATOM 1518 C ILE A 100 -16.627 3.454 4.821 1.00 0.34 C ATOM 1519 O ILE A 100 -17.027 4.544 4.400 1.00 0.36 O ATOM 1520 CB ILE A 100 -14.443 2.973 5.909 1.00 0.41 C ATOM 1521 CG1 ILE A 100 -13.765 2.500 7.200 1.00 0.45 C ATOM 1522 CG2 ILE A 100 -13.710 4.163 5.326 1.00 0.48 C ATOM 1523 CD1 ILE A 100 -13.826 3.500 8.332 1.00 0.51 C ATOM 0 H ILE A 100 -16.106 1.501 7.120 1.00 0.36 H new ATOM 0 HA ILE A 100 -15.939 4.320 6.672 1.00 0.37 H new ATOM 0 HB ILE A 100 -14.411 2.145 5.201 1.00 0.41 H new ATOM 0 HG12 ILE A 100 -14.234 1.571 7.525 1.00 0.45 H new ATOM 0 HG13 ILE A 100 -12.721 2.272 6.987 1.00 0.45 H new ATOM 0 HG21 ILE A 100 -12.669 3.896 5.145 1.00 0.48 H new ATOM 0 HG22 ILE A 100 -14.179 4.454 4.386 1.00 0.48 H new ATOM 0 HG23 ILE A 100 -13.754 4.997 6.027 1.00 0.48 H new ATOM 0 HD11 ILE A 100 -13.324 3.089 9.208 1.00 0.51 H new ATOM 0 HD12 ILE A 100 -13.331 4.423 8.030 1.00 0.51 H new ATOM 0 HD13 ILE A 100 -14.867 3.711 8.576 1.00 0.51 H new ATOM 1535 N LEU A 101 -16.776 2.301 4.162 1.00 0.33 N ATOM 1536 CA LEU A 101 -17.560 2.195 2.923 1.00 0.34 C ATOM 1537 C LEU A 101 -18.944 2.786 3.112 1.00 0.34 C ATOM 1538 O LEU A 101 -19.540 3.314 2.183 1.00 0.36 O ATOM 1539 CB LEU A 101 -17.693 0.746 2.463 1.00 0.35 C ATOM 1540 CG LEU A 101 -16.431 0.123 1.871 1.00 0.41 C ATOM 1541 CD1 LEU A 101 -16.714 -1.292 1.413 1.00 0.89 C ATOM 1542 CD2 LEU A 101 -15.904 0.955 0.711 1.00 1.00 C ATOM 0 H LEU A 101 -16.361 1.420 4.467 1.00 0.33 H new ATOM 0 HA LEU A 101 -17.024 2.756 2.157 1.00 0.34 H new ATOM 0 HB2 LEU A 101 -18.011 0.142 3.313 1.00 0.35 H new ATOM 0 HB3 LEU A 101 -18.487 0.691 1.718 1.00 0.35 H new ATOM 0 HG LEU A 101 -15.666 0.100 2.647 1.00 0.41 H new ATOM 0 HD11 LEU A 101 -15.807 -1.727 0.993 1.00 0.89 H new ATOM 0 HD12 LEU A 101 -17.043 -1.890 2.263 1.00 0.89 H new ATOM 0 HD13 LEU A 101 -17.496 -1.279 0.654 1.00 0.89 H new ATOM 0 HD21 LEU A 101 -15.005 0.489 0.308 1.00 1.00 H new ATOM 0 HD22 LEU A 101 -16.663 1.014 -0.069 1.00 1.00 H new ATOM 0 HD23 LEU A 101 -15.666 1.959 1.062 1.00 1.00 H new ATOM 1554 N PHE A 102 -19.407 2.737 4.343 1.00 0.34 N ATOM 1555 CA PHE A 102 -20.719 3.248 4.673 1.00 0.36 C ATOM 1556 C PHE A 102 -20.750 4.742 4.402 1.00 0.35 C ATOM 1557 O PHE A 102 -21.675 5.254 3.787 1.00 0.36 O ATOM 1558 CB PHE A 102 -21.085 2.963 6.129 1.00 0.42 C ATOM 1559 CG PHE A 102 -22.444 3.480 6.502 1.00 0.57 C ATOM 1560 CD1 PHE A 102 -23.578 2.731 6.239 1.00 0.74 C ATOM 1561 CD2 PHE A 102 -22.588 4.720 7.102 1.00 0.80 C ATOM 1562 CE1 PHE A 102 -24.831 3.208 6.568 1.00 0.90 C ATOM 1563 CE2 PHE A 102 -23.839 5.203 7.431 1.00 0.96 C ATOM 1564 CZ PHE A 102 -24.962 4.446 7.164 1.00 0.94 C ATOM 0 H PHE A 102 -18.892 2.347 5.133 1.00 0.34 H new ATOM 0 HA PHE A 102 -21.457 2.742 4.050 1.00 0.36 H new ATOM 0 HB2 PHE A 102 -21.051 1.888 6.303 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -20.338 3.415 6.781 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -23.481 1.762 5.771 1.00 0.74 H new ATOM 0 HD2 PHE A 102 -21.712 5.315 7.315 1.00 0.80 H new ATOM 0 HE1 PHE A 102 -25.708 2.613 6.359 1.00 0.90 H new ATOM 0 HE2 PHE A 102 -23.939 6.172 7.897 1.00 0.96 H new ATOM 0 HZ PHE A 102 -25.941 4.822 7.421 1.00 0.94 H new ATOM 1574 N ASN A 103 -19.702 5.425 4.826 1.00 0.36 N ATOM 1575 CA ASN A 103 -19.611 6.866 4.660 1.00 0.38 C ATOM 1576 C ASN A 103 -19.389 7.257 3.205 1.00 0.36 C ATOM 1577 O ASN A 103 -20.170 8.018 2.640 1.00 0.38 O ATOM 1578 CB ASN A 103 -18.469 7.410 5.508 1.00 0.43 C ATOM 1579 CG ASN A 103 -18.825 7.503 6.980 1.00 0.49 C ATOM 1580 OD1 ASN A 103 -19.328 8.524 7.436 1.00 0.82 O ATOM 1581 ND2 ASN A 103 -18.572 6.447 7.732 1.00 0.49 N ATOM 0 H ASN A 103 -18.898 5.003 5.290 1.00 0.36 H new ATOM 0 HA ASN A 103 -20.559 7.296 4.984 1.00 0.38 H new ATOM 0 HB2 ASN A 103 -17.596 6.768 5.389 1.00 0.43 H new ATOM 0 HB3 ASN A 103 -18.190 8.398 5.143 1.00 0.43 H new ATOM 0 HD21 ASN A 103 -18.796 6.464 8.727 1.00 0.49 H new ATOM 0 HD22 ASN A 103 -18.153 5.615 7.318 1.00 0.49 H new ATOM 1588 N LEU A 104 -18.321 6.741 2.608 1.00 0.36 N ATOM 1589 CA LEU A 104 -17.968 7.070 1.225 1.00 0.39 C ATOM 1590 C LEU A 104 -19.033 6.647 0.207 1.00 0.37 C ATOM 1591 O LEU A 104 -19.467 7.462 -0.592 1.00 0.40 O ATOM 1592 CB LEU A 104 -16.635 6.424 0.877 1.00 0.45 C ATOM 1593 CG LEU A 104 -16.611 4.909 1.022 1.00 0.51 C ATOM 1594 CD1 LEU A 104 -16.628 4.237 -0.340 1.00 0.55 C ATOM 1595 CD2 LEU A 104 -15.410 4.483 1.829 1.00 0.65 C ATOM 0 H LEU A 104 -17.679 6.089 3.060 1.00 0.36 H new ATOM 0 HA LEU A 104 -17.898 8.156 1.165 1.00 0.39 H new ATOM 0 HB2 LEU A 104 -16.378 6.682 -0.150 1.00 0.45 H new ATOM 0 HB3 LEU A 104 -15.861 6.850 1.516 1.00 0.45 H new ATOM 0 HG LEU A 104 -17.508 4.594 1.555 1.00 0.51 H new ATOM 0 HD11 LEU A 104 -16.610 3.155 -0.212 1.00 0.55 H new ATOM 0 HD12 LEU A 104 -17.532 4.524 -0.876 1.00 0.55 H new ATOM 0 HD13 LEU A 104 -15.753 4.549 -0.911 1.00 0.55 H new ATOM 0 HD21 LEU A 104 -15.403 3.397 1.926 1.00 0.65 H new ATOM 0 HD22 LEU A 104 -14.499 4.808 1.325 1.00 0.65 H new ATOM 0 HD23 LEU A 104 -15.458 4.936 2.819 1.00 0.65 H new ATOM 1607 N ALA A 105 -19.439 5.383 0.231 1.00 0.35 N ATOM 1608 CA ALA A 105 -20.407 4.860 -0.740 1.00 0.38 C ATOM 1609 C ALA A 105 -21.733 5.571 -0.590 1.00 0.37 C ATOM 1610 O ALA A 105 -22.527 5.653 -1.512 1.00 0.39 O ATOM 1611 CB ALA A 105 -20.598 3.365 -0.563 1.00 0.43 C ATOM 0 H ALA A 105 -19.115 4.696 0.912 1.00 0.35 H new ATOM 0 HA ALA A 105 -20.016 5.041 -1.741 1.00 0.38 H new ATOM 0 HB1 ALA A 105 -21.320 3.001 -1.294 1.00 0.43 H new ATOM 0 HB2 ALA A 105 -19.645 2.857 -0.710 1.00 0.43 H new ATOM 0 HB3 ALA A 105 -20.966 3.162 0.443 1.00 0.43 H new ATOM 1617 N ARG A 106 -21.955 6.058 0.600 1.00 0.36 N ATOM 1618 CA ARG A 106 -23.118 6.879 0.854 1.00 0.40 C ATOM 1619 C ARG A 106 -22.928 8.263 0.261 1.00 0.38 C ATOM 1620 O ARG A 106 -23.730 8.702 -0.546 1.00 0.40 O ATOM 1621 CB ARG A 106 -23.404 6.963 2.338 1.00 0.48 C ATOM 1622 CG ARG A 106 -24.331 8.098 2.721 1.00 0.53 C ATOM 1623 CD ARG A 106 -24.168 8.418 4.183 1.00 0.73 C ATOM 1624 NE ARG A 106 -22.769 8.683 4.476 1.00 0.91 N ATOM 1625 CZ ARG A 106 -22.347 9.510 5.418 1.00 1.38 C ATOM 1626 NH1 ARG A 106 -23.215 10.093 6.239 1.00 1.52 N ATOM 1627 NH2 ARG A 106 -21.051 9.749 5.540 1.00 1.81 N ATOM 0 H ARG A 106 -21.352 5.905 1.409 1.00 0.36 H new ATOM 0 HA ARG A 106 -23.979 6.414 0.373 1.00 0.40 H new ATOM 0 HB2 ARG A 106 -23.843 6.021 2.667 1.00 0.48 H new ATOM 0 HB3 ARG A 106 -22.462 7.080 2.874 1.00 0.48 H new ATOM 0 HG2 ARG A 106 -24.109 8.980 2.119 1.00 0.53 H new ATOM 0 HG3 ARG A 106 -25.365 7.822 2.513 1.00 0.53 H new ATOM 0 HD2 ARG A 106 -24.774 9.285 4.445 1.00 0.73 H new ATOM 0 HD3 ARG A 106 -24.525 7.585 4.789 1.00 0.73 H new ATOM 0 HE ARG A 106 -22.066 8.199 3.918 1.00 0.91 H new ATOM 0 HH11 ARG A 106 -24.213 9.903 6.144 1.00 1.52 H new ATOM 0 HH12 ARG A 106 -22.883 10.730 6.963 1.00 1.52 H new ATOM 0 HH21 ARG A 106 -20.388 9.297 4.911 1.00 1.81 H new ATOM 0 HH22 ARG A 106 -20.716 10.385 6.263 1.00 1.81 H new ATOM 1641 N ASP A 107 -21.846 8.926 0.626 1.00 0.37 N ATOM 1642 CA ASP A 107 -21.647 10.314 0.230 1.00 0.41 C ATOM 1643 C ASP A 107 -21.275 10.415 -1.247 1.00 0.38 C ATOM 1644 O ASP A 107 -21.923 11.098 -2.033 1.00 0.41 O ATOM 1645 CB ASP A 107 -20.541 10.930 1.086 1.00 0.46 C ATOM 1646 CG ASP A 107 -20.362 12.413 0.831 1.00 0.57 C ATOM 1647 OD1 ASP A 107 -19.662 12.771 -0.138 1.00 0.68 O ATOM 1648 OD2 ASP A 107 -20.940 13.224 1.584 1.00 0.80 O ATOM 0 H ASP A 107 -21.094 8.532 1.192 1.00 0.37 H new ATOM 0 HA ASP A 107 -22.580 10.857 0.382 1.00 0.41 H new ATOM 0 HB2 ASP A 107 -20.772 10.772 2.139 1.00 0.46 H new ATOM 0 HB3 ASP A 107 -19.602 10.415 0.885 1.00 0.46 H new ATOM 1653 N VAL A 108 -20.268 9.685 -1.650 1.00 0.34 N ATOM 1654 CA VAL A 108 -19.829 9.757 -3.021 1.00 0.33 C ATOM 1655 C VAL A 108 -20.632 8.777 -3.870 1.00 0.32 C ATOM 1656 O VAL A 108 -20.609 8.847 -5.081 1.00 0.37 O ATOM 1657 CB VAL A 108 -18.315 9.489 -3.166 1.00 0.32 C ATOM 1658 CG1 VAL A 108 -17.793 10.077 -4.467 1.00 0.77 C ATOM 1659 CG2 VAL A 108 -17.532 10.053 -1.986 1.00 0.88 C ATOM 0 H VAL A 108 -19.742 9.042 -1.059 1.00 0.34 H new ATOM 0 HA VAL A 108 -20.004 10.773 -3.374 1.00 0.33 H new ATOM 0 HB VAL A 108 -18.172 8.409 -3.180 1.00 0.32 H new ATOM 0 HG11 VAL A 108 -16.725 9.879 -4.553 1.00 0.77 H new ATOM 0 HG12 VAL A 108 -18.315 9.621 -5.308 1.00 0.77 H new ATOM 0 HG13 VAL A 108 -17.964 11.153 -4.474 1.00 0.77 H new ATOM 0 HG21 VAL A 108 -16.470 9.846 -2.122 1.00 0.88 H new ATOM 0 HG22 VAL A 108 -17.687 11.130 -1.928 1.00 0.88 H new ATOM 0 HG23 VAL A 108 -17.878 9.586 -1.064 1.00 0.88 H new ATOM 1669 N GLY A 109 -21.290 7.820 -3.218 1.00 0.29 N ATOM 1670 CA GLY A 109 -22.275 6.988 -3.907 1.00 0.30 C ATOM 1671 C GLY A 109 -23.524 7.746 -4.336 1.00 0.33 C ATOM 1672 O GLY A 109 -24.209 7.339 -5.276 1.00 0.38 O ATOM 0 H GLY A 109 -21.162 7.603 -2.229 1.00 0.29 H new ATOM 0 HA2 GLY A 109 -21.810 6.544 -4.787 1.00 0.30 H new ATOM 0 HA3 GLY A 109 -22.566 6.167 -3.252 1.00 0.30 H new ATOM 1676 N VAL A 110 -23.825 8.831 -3.632 1.00 0.37 N ATOM 1677 CA VAL A 110 -24.883 9.721 -4.123 1.00 0.46 C ATOM 1678 C VAL A 110 -24.413 10.281 -5.464 1.00 0.47 C ATOM 1679 O VAL A 110 -25.189 10.404 -6.411 1.00 0.54 O ATOM 1680 CB VAL A 110 -25.338 10.871 -3.178 1.00 0.56 C ATOM 1681 CG1 VAL A 110 -25.706 10.349 -1.803 1.00 1.09 C ATOM 1682 CG2 VAL A 110 -24.324 11.995 -3.088 1.00 0.78 C ATOM 0 H VAL A 110 -23.379 9.112 -2.759 1.00 0.37 H new ATOM 0 HA VAL A 110 -25.783 9.111 -4.201 1.00 0.46 H new ATOM 0 HB VAL A 110 -26.235 11.298 -3.626 1.00 0.56 H new ATOM 0 HG11 VAL A 110 -26.019 11.180 -1.170 1.00 1.09 H new ATOM 0 HG12 VAL A 110 -26.523 9.633 -1.892 1.00 1.09 H new ATOM 0 HG13 VAL A 110 -24.841 9.858 -1.357 1.00 1.09 H new ATOM 0 HG21 VAL A 110 -24.696 12.768 -2.415 1.00 0.78 H new ATOM 0 HG22 VAL A 110 -23.381 11.604 -2.706 1.00 0.78 H new ATOM 0 HG23 VAL A 110 -24.165 12.422 -4.078 1.00 0.78 H new ATOM 1692 N ASP A 111 -23.123 10.624 -5.527 1.00 0.45 N ATOM 1693 CA ASP A 111 -22.463 10.882 -6.819 1.00 0.52 C ATOM 1694 C ASP A 111 -22.527 9.640 -7.727 1.00 0.59 C ATOM 1695 O ASP A 111 -23.143 9.691 -8.791 1.00 1.05 O ATOM 1696 CB ASP A 111 -21.002 11.309 -6.621 1.00 0.60 C ATOM 1697 CG ASP A 111 -20.856 12.705 -6.046 1.00 1.30 C ATOM 1698 OD1 ASP A 111 -21.224 12.919 -4.873 1.00 1.87 O ATOM 1699 OD2 ASP A 111 -20.368 13.597 -6.768 1.00 1.86 O ATOM 0 H ASP A 111 -22.518 10.730 -4.713 1.00 0.45 H new ATOM 0 HA ASP A 111 -23.000 11.699 -7.302 1.00 0.52 H new ATOM 0 HB2 ASP A 111 -20.510 10.598 -5.958 1.00 0.60 H new ATOM 0 HB3 ASP A 111 -20.484 11.263 -7.579 1.00 0.60 H new ATOM 1704 N TRP A 112 -21.961 8.532 -7.208 1.00 0.43 N ATOM 1705 CA TRP A 112 -21.795 7.206 -7.872 1.00 0.45 C ATOM 1706 C TRP A 112 -20.335 6.707 -7.791 1.00 0.42 C ATOM 1707 O TRP A 112 -20.057 5.689 -7.167 1.00 0.43 O ATOM 1708 CB TRP A 112 -22.310 7.148 -9.337 1.00 0.57 C ATOM 1709 CG TRP A 112 -21.405 7.745 -10.381 1.00 0.64 C ATOM 1710 CD1 TRP A 112 -21.003 9.042 -10.500 1.00 0.72 C ATOM 1711 CD2 TRP A 112 -20.801 7.040 -11.458 1.00 0.78 C ATOM 1712 NE1 TRP A 112 -20.173 9.180 -11.576 1.00 0.83 N ATOM 1713 CE2 TRP A 112 -20.032 7.961 -12.187 1.00 0.86 C ATOM 1714 CE3 TRP A 112 -20.833 5.712 -11.865 1.00 0.96 C ATOM 1715 CZ2 TRP A 112 -19.300 7.591 -13.310 1.00 1.04 C ATOM 1716 CZ3 TRP A 112 -20.109 5.339 -12.979 1.00 1.16 C ATOM 1717 CH2 TRP A 112 -19.351 6.278 -13.693 1.00 1.17 C ATOM 0 H TRP A 112 -21.583 8.529 -6.261 1.00 0.43 H new ATOM 0 HA TRP A 112 -22.436 6.532 -7.304 1.00 0.45 H new ATOM 0 HB2 TRP A 112 -22.491 6.105 -9.596 1.00 0.57 H new ATOM 0 HB3 TRP A 112 -23.271 7.660 -9.383 1.00 0.57 H new ATOM 0 HD1 TRP A 112 -21.298 9.844 -9.840 1.00 0.72 H new ATOM 0 HE1 TRP A 112 -19.730 10.049 -11.876 1.00 0.83 H new ATOM 0 HE3 TRP A 112 -21.415 4.984 -11.319 1.00 0.96 H new ATOM 0 HZ2 TRP A 112 -18.713 8.313 -13.859 1.00 1.04 H new ATOM 0 HZ3 TRP A 112 -20.126 4.310 -13.305 1.00 1.16 H new ATOM 0 HH2 TRP A 112 -18.796 5.959 -14.563 1.00 1.17 H new ATOM 1728 N ASP A 113 -19.427 7.432 -8.427 1.00 0.42 N ATOM 1729 CA ASP A 113 -18.020 7.031 -8.515 1.00 0.42 C ATOM 1730 C ASP A 113 -17.212 7.684 -7.404 1.00 0.40 C ATOM 1731 O ASP A 113 -17.289 8.897 -7.219 1.00 0.50 O ATOM 1732 CB ASP A 113 -17.458 7.441 -9.883 1.00 0.51 C ATOM 1733 CG ASP A 113 -16.073 6.890 -10.161 1.00 1.26 C ATOM 1734 OD1 ASP A 113 -15.083 7.506 -9.719 1.00 1.61 O ATOM 1735 OD2 ASP A 113 -15.972 5.860 -10.862 1.00 2.15 O ATOM 0 H ASP A 113 -19.638 8.312 -8.897 1.00 0.42 H new ATOM 0 HA ASP A 113 -17.950 5.949 -8.402 1.00 0.42 H new ATOM 0 HB2 ASP A 113 -18.139 7.100 -10.663 1.00 0.51 H new ATOM 0 HB3 ASP A 113 -17.425 8.529 -9.942 1.00 0.51 H new ATOM 1740 N ILE A 114 -16.436 6.887 -6.668 1.00 0.32 N ATOM 1741 CA ILE A 114 -15.722 7.396 -5.504 1.00 0.32 C ATOM 1742 C ILE A 114 -14.225 7.314 -5.741 1.00 0.32 C ATOM 1743 O ILE A 114 -13.744 6.447 -6.475 1.00 0.33 O ATOM 1744 CB ILE A 114 -16.062 6.638 -4.176 1.00 0.31 C ATOM 1745 CG1 ILE A 114 -17.563 6.372 -4.041 1.00 0.39 C ATOM 1746 CG2 ILE A 114 -15.562 7.419 -2.972 1.00 0.33 C ATOM 1747 CD1 ILE A 114 -18.019 5.126 -4.760 1.00 0.38 C ATOM 0 H ILE A 114 -16.289 5.896 -6.858 1.00 0.32 H new ATOM 0 HA ILE A 114 -16.047 8.429 -5.379 1.00 0.32 H new ATOM 0 HB ILE A 114 -15.554 5.675 -4.214 1.00 0.31 H new ATOM 0 HG12 ILE A 114 -17.815 6.285 -2.984 1.00 0.39 H new ATOM 0 HG13 ILE A 114 -18.113 7.229 -4.431 1.00 0.39 H new ATOM 0 HG21 ILE A 114 -15.807 6.877 -2.059 1.00 0.33 H new ATOM 0 HG22 ILE A 114 -14.481 7.542 -3.041 1.00 0.33 H new ATOM 0 HG23 ILE A 114 -16.038 8.399 -2.951 1.00 0.33 H new ATOM 0 HD11 ILE A 114 -19.093 4.999 -4.622 1.00 0.38 H new ATOM 0 HD12 ILE A 114 -17.798 5.218 -5.823 1.00 0.38 H new ATOM 0 HD13 ILE A 114 -17.496 4.260 -4.354 1.00 0.38 H new ATOM 1759 N ASP A 115 -13.498 8.217 -5.114 1.00 0.35 N ATOM 1760 CA ASP A 115 -12.054 8.222 -5.186 1.00 0.38 C ATOM 1761 C ASP A 115 -11.497 7.449 -4.001 1.00 0.34 C ATOM 1762 O ASP A 115 -12.166 7.328 -2.977 1.00 0.31 O ATOM 1763 CB ASP A 115 -11.514 9.658 -5.221 1.00 0.46 C ATOM 1764 CG ASP A 115 -12.069 10.554 -4.131 1.00 1.27 C ATOM 1765 OD1 ASP A 115 -13.284 10.836 -4.156 1.00 2.11 O ATOM 1766 OD2 ASP A 115 -11.299 10.950 -3.224 1.00 1.36 O ATOM 0 H ASP A 115 -13.892 8.965 -4.543 1.00 0.35 H new ATOM 0 HA ASP A 115 -11.733 7.737 -6.108 1.00 0.38 H new ATOM 0 HB2 ASP A 115 -10.428 9.629 -5.135 1.00 0.46 H new ATOM 0 HB3 ASP A 115 -11.745 10.098 -6.191 1.00 0.46 H new ATOM 1771 N TYR A 116 -10.314 6.871 -4.158 1.00 0.37 N ATOM 1772 CA TYR A 116 -9.683 6.101 -3.093 1.00 0.37 C ATOM 1773 C TYR A 116 -8.183 6.373 -3.117 1.00 0.40 C ATOM 1774 O TYR A 116 -7.668 6.903 -4.100 1.00 0.62 O ATOM 1775 CB TYR A 116 -9.921 4.585 -3.252 1.00 0.38 C ATOM 1776 CG TYR A 116 -11.369 4.143 -3.158 1.00 0.37 C ATOM 1777 CD1 TYR A 116 -12.260 4.408 -4.191 1.00 0.37 C ATOM 1778 CD2 TYR A 116 -11.846 3.477 -2.040 1.00 0.40 C ATOM 1779 CE1 TYR A 116 -13.585 4.020 -4.105 1.00 0.39 C ATOM 1780 CE2 TYR A 116 -13.165 3.084 -1.949 1.00 0.42 C ATOM 1781 CZ TYR A 116 -14.015 3.306 -2.992 1.00 0.41 C ATOM 1782 OH TYR A 116 -15.346 2.974 -2.884 1.00 0.45 O ATOM 0 H TYR A 116 -9.768 6.921 -5.018 1.00 0.37 H new ATOM 0 HA TYR A 116 -10.126 6.409 -2.146 1.00 0.37 H new ATOM 0 HB2 TYR A 116 -9.524 4.271 -4.217 1.00 0.38 H new ATOM 0 HB3 TYR A 116 -9.348 4.062 -2.486 1.00 0.38 H new ATOM 0 HD1 TYR A 116 -11.913 4.924 -5.074 1.00 0.37 H new ATOM 0 HD2 TYR A 116 -11.172 3.262 -1.224 1.00 0.40 H new ATOM 0 HE1 TYR A 116 -14.279 4.269 -4.894 1.00 0.39 H new ATOM 0 HE2 TYR A 116 -13.524 2.601 -1.052 1.00 0.42 H new ATOM 0 HH TYR A 116 -15.492 2.475 -2.053 1.00 0.45 H new ATOM 1792 N GLU A 117 -7.489 5.997 -2.054 1.00 0.27 N ATOM 1793 CA GLU A 117 -6.059 6.225 -1.938 1.00 0.28 C ATOM 1794 C GLU A 117 -5.426 5.169 -1.046 1.00 0.28 C ATOM 1795 O GLU A 117 -6.003 4.771 -0.037 1.00 0.31 O ATOM 1796 CB GLU A 117 -5.793 7.615 -1.355 1.00 0.31 C ATOM 1797 CG GLU A 117 -4.325 7.906 -1.081 1.00 0.39 C ATOM 1798 CD GLU A 117 -4.136 9.078 -0.142 1.00 0.51 C ATOM 1799 OE1 GLU A 117 -4.300 8.900 1.083 1.00 0.80 O ATOM 1800 OE2 GLU A 117 -3.832 10.190 -0.627 1.00 0.66 O ATOM 0 H GLU A 117 -7.902 5.526 -1.249 1.00 0.27 H new ATOM 0 HA GLU A 117 -5.617 6.162 -2.932 1.00 0.28 H new ATOM 0 HB2 GLU A 117 -6.178 8.366 -2.045 1.00 0.31 H new ATOM 0 HB3 GLU A 117 -6.352 7.720 -0.425 1.00 0.31 H new ATOM 0 HG2 GLU A 117 -3.856 7.021 -0.652 1.00 0.39 H new ATOM 0 HG3 GLU A 117 -3.816 8.112 -2.023 1.00 0.39 H new ATOM 1807 N LEU A 118 -4.255 4.707 -1.431 1.00 0.29 N ATOM 1808 CA LEU A 118 -3.482 3.796 -0.611 1.00 0.28 C ATOM 1809 C LEU A 118 -2.208 4.489 -0.159 1.00 0.28 C ATOM 1810 O LEU A 118 -1.501 5.089 -0.963 1.00 0.32 O ATOM 1811 CB LEU A 118 -3.197 2.499 -1.399 1.00 0.35 C ATOM 1812 CG LEU A 118 -2.137 1.524 -0.844 1.00 0.40 C ATOM 1813 CD1 LEU A 118 -0.736 1.959 -1.240 1.00 1.24 C ATOM 1814 CD2 LEU A 118 -2.246 1.388 0.669 1.00 1.25 C ATOM 0 H LEU A 118 -3.813 4.951 -2.317 1.00 0.29 H new ATOM 0 HA LEU A 118 -4.043 3.516 0.281 1.00 0.28 H new ATOM 0 HB2 LEU A 118 -4.136 1.953 -1.491 1.00 0.35 H new ATOM 0 HB3 LEU A 118 -2.893 2.782 -2.407 1.00 0.35 H new ATOM 0 HG LEU A 118 -2.330 0.546 -1.285 1.00 0.40 H new ATOM 0 HD11 LEU A 118 -0.009 1.255 -0.836 1.00 1.24 H new ATOM 0 HD12 LEU A 118 -0.655 1.981 -2.327 1.00 1.24 H new ATOM 0 HD13 LEU A 118 -0.538 2.954 -0.842 1.00 1.24 H new ATOM 0 HD21 LEU A 118 -1.486 0.694 1.028 1.00 1.25 H new ATOM 0 HD22 LEU A 118 -2.096 2.363 1.134 1.00 1.25 H new ATOM 0 HD23 LEU A 118 -3.234 1.010 0.930 1.00 1.25 H new ATOM 1826 N GLN A 119 -1.948 4.427 1.131 1.00 0.26 N ATOM 1827 CA GLN A 119 -0.722 4.957 1.695 1.00 0.27 C ATOM 1828 C GLN A 119 0.026 3.843 2.387 1.00 0.26 C ATOM 1829 O GLN A 119 -0.315 3.456 3.498 1.00 0.27 O ATOM 1830 CB GLN A 119 -1.015 6.053 2.710 1.00 0.30 C ATOM 1831 CG GLN A 119 0.223 6.829 3.125 1.00 0.37 C ATOM 1832 CD GLN A 119 0.605 7.898 2.120 1.00 0.46 C ATOM 1833 OE1 GLN A 119 0.191 7.714 0.880 1.00 0.63 O flip ATOM 1834 NE2 GLN A 119 1.234 8.898 2.467 1.00 0.51 N flip ATOM 0 H GLN A 119 -2.578 4.010 1.816 1.00 0.26 H new ATOM 0 HA GLN A 119 -0.126 5.378 0.886 1.00 0.27 H new ATOM 0 HB2 GLN A 119 -1.745 6.744 2.289 1.00 0.30 H new ATOM 0 HB3 GLN A 119 -1.471 5.608 3.595 1.00 0.30 H new ATOM 0 HG2 GLN A 119 0.048 7.294 4.095 1.00 0.37 H new ATOM 0 HG3 GLN A 119 1.056 6.137 3.249 1.00 0.37 H new ATOM 0 HE21 GLN A 119 1.535 9.000 3.436 1.00 0.51 H new ATOM 0 HE22 GLN A 119 1.454 9.624 1.785 1.00 0.51 H new ATOM 1843 N ILE A 120 1.024 3.315 1.733 1.00 0.26 N ATOM 1844 CA ILE A 120 1.723 2.176 2.270 1.00 0.26 C ATOM 1845 C ILE A 120 3.197 2.516 2.533 1.00 0.23 C ATOM 1846 O ILE A 120 3.911 2.998 1.657 1.00 0.24 O ATOM 1847 CB ILE A 120 1.531 0.958 1.320 1.00 0.31 C ATOM 1848 CG1 ILE A 120 1.817 -0.382 2.019 1.00 0.45 C ATOM 1849 CG2 ILE A 120 2.355 1.107 0.054 1.00 0.36 C ATOM 1850 CD1 ILE A 120 3.259 -0.614 2.389 1.00 0.81 C ATOM 0 H ILE A 120 1.371 3.650 0.834 1.00 0.26 H new ATOM 0 HA ILE A 120 1.304 1.902 3.238 1.00 0.26 H new ATOM 0 HB ILE A 120 0.479 0.946 1.035 1.00 0.31 H new ATOM 0 HG12 ILE A 120 1.212 -0.439 2.924 1.00 0.45 H new ATOM 0 HG13 ILE A 120 1.491 -1.192 1.366 1.00 0.45 H new ATOM 0 HG21 ILE A 120 2.198 0.239 -0.587 1.00 0.36 H new ATOM 0 HG22 ILE A 120 2.049 2.009 -0.475 1.00 0.36 H new ATOM 0 HG23 ILE A 120 3.411 1.179 0.314 1.00 0.36 H new ATOM 0 HD11 ILE A 120 3.358 -1.584 2.876 1.00 0.81 H new ATOM 0 HD12 ILE A 120 3.873 -0.595 1.489 1.00 0.81 H new ATOM 0 HD13 ILE A 120 3.590 0.169 3.071 1.00 0.81 H new ATOM 1862 N GLY A 121 3.613 2.327 3.781 1.00 0.23 N ATOM 1863 CA GLY A 121 4.993 2.541 4.160 1.00 0.23 C ATOM 1864 C GLY A 121 5.831 1.303 3.946 1.00 0.22 C ATOM 1865 O GLY A 121 5.510 0.233 4.463 1.00 0.26 O ATOM 0 H GLY A 121 3.008 2.025 4.544 1.00 0.23 H new ATOM 0 HA2 GLY A 121 5.406 3.365 3.578 1.00 0.23 H new ATOM 0 HA3 GLY A 121 5.041 2.836 5.208 1.00 0.23 H new ATOM 1869 N LEU A 122 6.897 1.443 3.184 1.00 0.23 N ATOM 1870 CA LEU A 122 7.731 0.312 2.827 1.00 0.25 C ATOM 1871 C LEU A 122 8.932 0.218 3.732 1.00 0.23 C ATOM 1872 O LEU A 122 9.858 1.017 3.637 1.00 0.30 O ATOM 1873 CB LEU A 122 8.199 0.422 1.377 1.00 0.30 C ATOM 1874 CG LEU A 122 7.215 -0.079 0.327 1.00 0.45 C ATOM 1875 CD1 LEU A 122 5.829 0.438 0.607 1.00 1.20 C ATOM 1876 CD2 LEU A 122 7.663 0.347 -1.050 1.00 1.00 C ATOM 0 H LEU A 122 7.208 2.334 2.798 1.00 0.23 H new ATOM 0 HA LEU A 122 7.128 -0.589 2.944 1.00 0.25 H new ATOM 0 HB2 LEU A 122 8.427 1.467 1.166 1.00 0.30 H new ATOM 0 HB3 LEU A 122 9.130 -0.135 1.271 1.00 0.30 H new ATOM 0 HG LEU A 122 7.190 -1.168 0.369 1.00 0.45 H new ATOM 0 HD11 LEU A 122 5.142 0.069 -0.154 1.00 1.20 H new ATOM 0 HD12 LEU A 122 5.503 0.093 1.588 1.00 1.20 H new ATOM 0 HD13 LEU A 122 5.837 1.528 0.590 1.00 1.20 H new ATOM 0 HD21 LEU A 122 6.953 -0.016 -1.792 1.00 1.00 H new ATOM 0 HD22 LEU A 122 7.712 1.435 -1.096 1.00 1.00 H new ATOM 0 HD23 LEU A 122 8.649 -0.069 -1.257 1.00 1.00 H new ATOM 1888 N THR A 123 8.891 -0.740 4.623 1.00 0.22 N ATOM 1889 CA THR A 123 10.035 -1.061 5.435 1.00 0.21 C ATOM 1890 C THR A 123 10.612 -2.387 4.974 1.00 0.23 C ATOM 1891 O THR A 123 10.146 -3.442 5.371 1.00 0.32 O ATOM 1892 CB THR A 123 9.637 -1.167 6.912 1.00 0.24 C ATOM 1893 OG1 THR A 123 9.045 0.062 7.353 1.00 0.26 O ATOM 1894 CG2 THR A 123 10.836 -1.504 7.783 1.00 0.26 C ATOM 0 H THR A 123 8.069 -1.316 4.805 1.00 0.22 H new ATOM 0 HA THR A 123 10.777 -0.269 5.330 1.00 0.21 H new ATOM 0 HB THR A 123 8.910 -1.973 7.006 1.00 0.24 H new ATOM 0 HG1 THR A 123 8.293 -0.133 7.950 1.00 0.26 H new ATOM 0 HG21 THR A 123 10.521 -1.572 8.824 1.00 0.26 H new ATOM 0 HG22 THR A 123 11.258 -2.458 7.468 1.00 0.26 H new ATOM 0 HG23 THR A 123 11.590 -0.723 7.682 1.00 0.26 H new ATOM 1902 N ILE A 124 11.602 -2.344 4.117 1.00 0.20 N ATOM 1903 CA ILE A 124 12.185 -3.568 3.602 1.00 0.21 C ATOM 1904 C ILE A 124 13.601 -3.731 4.114 1.00 0.24 C ATOM 1905 O ILE A 124 14.345 -2.750 4.210 1.00 0.32 O ATOM 1906 CB ILE A 124 12.175 -3.606 2.057 1.00 0.23 C ATOM 1907 CG1 ILE A 124 12.668 -2.276 1.481 1.00 0.25 C ATOM 1908 CG2 ILE A 124 10.781 -3.941 1.533 1.00 0.25 C ATOM 1909 CD1 ILE A 124 12.642 -2.226 -0.032 1.00 0.98 C ATOM 0 H ILE A 124 12.021 -1.485 3.761 1.00 0.20 H new ATOM 0 HA ILE A 124 11.572 -4.396 3.959 1.00 0.21 H new ATOM 0 HB ILE A 124 12.857 -4.391 1.730 1.00 0.23 H new ATOM 0 HG12 ILE A 124 12.051 -1.468 1.874 1.00 0.25 H new ATOM 0 HG13 ILE A 124 13.686 -2.095 1.825 1.00 0.25 H new ATOM 0 HG21 ILE A 124 10.797 -3.962 0.443 1.00 0.25 H new ATOM 0 HG22 ILE A 124 10.475 -4.917 1.911 1.00 0.25 H new ATOM 0 HG23 ILE A 124 10.074 -3.183 1.870 1.00 0.25 H new ATOM 0 HD11 ILE A 124 13.004 -1.255 -0.370 1.00 0.98 H new ATOM 0 HD12 ILE A 124 13.282 -3.012 -0.433 1.00 0.98 H new ATOM 0 HD13 ILE A 124 11.621 -2.375 -0.383 1.00 0.98 H new ATOM 1921 N ASP A 125 13.974 -4.956 4.464 1.00 0.25 N ATOM 1922 CA ASP A 125 15.299 -5.207 4.970 1.00 0.30 C ATOM 1923 C ASP A 125 16.220 -5.427 3.798 1.00 0.30 C ATOM 1924 O ASP A 125 16.159 -6.469 3.153 1.00 0.31 O ATOM 1925 CB ASP A 125 15.316 -6.436 5.895 1.00 0.37 C ATOM 1926 CG ASP A 125 14.789 -6.154 7.292 1.00 0.91 C ATOM 1927 OD1 ASP A 125 13.555 -6.155 7.489 1.00 1.52 O ATOM 1928 OD2 ASP A 125 15.615 -5.961 8.212 1.00 1.44 O ATOM 0 H ASP A 125 13.375 -5.780 4.404 1.00 0.25 H new ATOM 0 HA ASP A 125 15.630 -4.350 5.557 1.00 0.30 H new ATOM 0 HB2 ASP A 125 14.719 -7.228 5.444 1.00 0.37 H new ATOM 0 HB3 ASP A 125 16.337 -6.810 5.970 1.00 0.37 H new ATOM 1933 N LEU A 126 17.048 -4.429 3.520 1.00 0.32 N ATOM 1934 CA LEU A 126 18.018 -4.502 2.442 1.00 0.33 C ATOM 1935 C LEU A 126 19.410 -4.221 2.972 1.00 0.37 C ATOM 1936 O LEU A 126 19.602 -3.270 3.712 1.00 0.55 O ATOM 1937 CB LEU A 126 17.690 -3.541 1.285 1.00 0.42 C ATOM 1938 CG LEU A 126 16.585 -2.507 1.525 1.00 0.38 C ATOM 1939 CD1 LEU A 126 17.026 -1.440 2.518 1.00 1.26 C ATOM 1940 CD2 LEU A 126 16.188 -1.863 0.207 1.00 1.28 C ATOM 0 H LEU A 126 17.064 -3.549 4.036 1.00 0.32 H new ATOM 0 HA LEU A 126 17.974 -5.515 2.041 1.00 0.33 H new ATOM 0 HB2 LEU A 126 18.602 -3.006 1.022 1.00 0.42 H new ATOM 0 HB3 LEU A 126 17.410 -4.139 0.418 1.00 0.42 H new ATOM 0 HG LEU A 126 15.725 -3.023 1.952 1.00 0.38 H new ATOM 0 HD11 LEU A 126 16.218 -0.723 2.665 1.00 1.26 H new ATOM 0 HD12 LEU A 126 17.272 -1.909 3.471 1.00 1.26 H new ATOM 0 HD13 LEU A 126 17.904 -0.923 2.131 1.00 1.26 H new ATOM 0 HD21 LEU A 126 15.402 -1.129 0.383 1.00 1.28 H new ATOM 0 HD22 LEU A 126 17.055 -1.369 -0.232 1.00 1.28 H new ATOM 0 HD23 LEU A 126 15.822 -2.629 -0.477 1.00 1.28 H new ATOM 1952 N PRO A 127 20.401 -5.025 2.556 1.00 0.43 N ATOM 1953 CA PRO A 127 21.751 -5.029 3.152 1.00 0.52 C ATOM 1954 C PRO A 127 22.437 -3.660 3.231 1.00 0.60 C ATOM 1955 O PRO A 127 23.375 -3.487 4.006 1.00 0.74 O ATOM 1956 CB PRO A 127 22.543 -5.953 2.225 1.00 0.60 C ATOM 1957 CG PRO A 127 21.523 -6.849 1.617 1.00 0.73 C ATOM 1958 CD PRO A 127 20.285 -6.013 1.460 1.00 0.55 C ATOM 0 HA PRO A 127 21.696 -5.346 4.193 1.00 0.52 H new ATOM 0 HB2 PRO A 127 23.076 -5.385 1.462 1.00 0.60 H new ATOM 0 HB3 PRO A 127 23.290 -6.522 2.778 1.00 0.60 H new ATOM 0 HG2 PRO A 127 21.862 -7.230 0.654 1.00 0.73 H new ATOM 0 HG3 PRO A 127 21.333 -7.713 2.253 1.00 0.73 H new ATOM 0 HD2 PRO A 127 20.247 -5.529 0.484 1.00 0.55 H new ATOM 0 HD3 PRO A 127 19.380 -6.613 1.553 1.00 0.55 H new ATOM 1966 N VAL A 128 21.982 -2.692 2.441 1.00 0.60 N ATOM 1967 CA VAL A 128 22.619 -1.376 2.415 1.00 0.72 C ATOM 1968 C VAL A 128 22.298 -0.577 3.678 1.00 0.71 C ATOM 1969 O VAL A 128 23.197 -0.059 4.331 1.00 0.82 O ATOM 1970 CB VAL A 128 22.199 -0.550 1.185 1.00 0.83 C ATOM 1971 CG1 VAL A 128 23.170 0.603 0.967 1.00 1.12 C ATOM 1972 CG2 VAL A 128 22.113 -1.426 -0.052 1.00 1.02 C ATOM 0 H VAL A 128 21.182 -2.790 1.815 1.00 0.60 H new ATOM 0 HA VAL A 128 23.692 -1.562 2.362 1.00 0.72 H new ATOM 0 HB VAL A 128 21.208 -0.136 1.370 1.00 0.83 H new ATOM 0 HG11 VAL A 128 22.861 1.179 0.094 1.00 1.12 H new ATOM 0 HG12 VAL A 128 23.172 1.248 1.845 1.00 1.12 H new ATOM 0 HG13 VAL A 128 24.173 0.208 0.805 1.00 1.12 H new ATOM 0 HG21 VAL A 128 21.815 -0.820 -0.907 1.00 1.02 H new ATOM 0 HG22 VAL A 128 23.086 -1.876 -0.248 1.00 1.02 H new ATOM 0 HG23 VAL A 128 21.376 -2.213 0.110 1.00 1.02 H new ATOM 1982 N VAL A 129 21.012 -0.481 4.012 1.00 0.62 N ATOM 1983 CA VAL A 129 20.571 0.232 5.218 1.00 0.63 C ATOM 1984 C VAL A 129 20.209 -0.772 6.294 1.00 0.55 C ATOM 1985 O VAL A 129 19.847 -0.424 7.418 1.00 0.55 O ATOM 1986 CB VAL A 129 19.323 1.098 4.960 1.00 0.69 C ATOM 1987 CG1 VAL A 129 19.399 2.398 5.745 1.00 1.35 C ATOM 1988 CG2 VAL A 129 19.129 1.355 3.477 1.00 1.26 C ATOM 0 H VAL A 129 20.253 -0.888 3.465 1.00 0.62 H new ATOM 0 HA VAL A 129 21.395 0.877 5.525 1.00 0.63 H new ATOM 0 HB VAL A 129 18.450 0.547 5.310 1.00 0.69 H new ATOM 0 HG11 VAL A 129 18.508 2.994 5.548 1.00 1.35 H new ATOM 0 HG12 VAL A 129 19.460 2.177 6.811 1.00 1.35 H new ATOM 0 HG13 VAL A 129 20.284 2.956 5.440 1.00 1.35 H new ATOM 0 HG21 VAL A 129 18.241 1.969 3.327 1.00 1.26 H new ATOM 0 HG22 VAL A 129 20.001 1.876 3.081 1.00 1.26 H new ATOM 0 HG23 VAL A 129 19.006 0.405 2.956 1.00 1.26 H new ATOM 1998 N GLY A 130 20.318 -2.022 5.904 1.00 0.53 N ATOM 1999 CA GLY A 130 19.801 -3.131 6.694 1.00 0.55 C ATOM 2000 C GLY A 130 18.292 -3.225 6.583 1.00 0.58 C ATOM 2001 O GLY A 130 17.728 -4.312 6.510 1.00 1.05 O ATOM 0 H GLY A 130 20.766 -2.305 5.032 1.00 0.53 H new ATOM 0 HA2 GLY A 130 20.252 -4.064 6.356 1.00 0.55 H new ATOM 0 HA3 GLY A 130 20.084 -3.000 7.738 1.00 0.55 H new ATOM 2005 N GLU A 131 17.672 -2.060 6.527 1.00 0.49 N ATOM 2006 CA GLU A 131 16.238 -1.895 6.398 1.00 0.46 C ATOM 2007 C GLU A 131 15.954 -0.399 6.298 1.00 0.49 C ATOM 2008 O GLU A 131 16.716 0.411 6.834 1.00 0.75 O ATOM 2009 CB GLU A 131 15.493 -2.488 7.598 1.00 0.59 C ATOM 2010 CG GLU A 131 15.605 -1.651 8.865 1.00 0.73 C ATOM 2011 CD GLU A 131 14.765 -2.196 10.000 1.00 0.93 C ATOM 2012 OE1 GLU A 131 13.524 -2.135 9.907 1.00 1.16 O ATOM 2013 OE2 GLU A 131 15.342 -2.690 10.990 1.00 1.01 O ATOM 0 H GLU A 131 18.172 -1.172 6.572 1.00 0.49 H new ATOM 0 HA GLU A 131 15.889 -2.422 5.510 1.00 0.46 H new ATOM 0 HB2 GLU A 131 14.440 -2.601 7.340 1.00 0.59 H new ATOM 0 HB3 GLU A 131 15.881 -3.487 7.798 1.00 0.59 H new ATOM 0 HG2 GLU A 131 16.648 -1.610 9.178 1.00 0.73 H new ATOM 0 HG3 GLU A 131 15.297 -0.628 8.649 1.00 0.73 H new ATOM 2020 N PHE A 132 14.891 -0.022 5.612 1.00 0.39 N ATOM 2021 CA PHE A 132 14.552 1.387 5.482 1.00 0.48 C ATOM 2022 C PHE A 132 13.052 1.550 5.297 1.00 0.35 C ATOM 2023 O PHE A 132 12.401 0.676 4.731 1.00 0.33 O ATOM 2024 CB PHE A 132 15.301 2.017 4.307 1.00 0.69 C ATOM 2025 CG PHE A 132 15.456 3.508 4.428 1.00 1.02 C ATOM 2026 CD1 PHE A 132 16.456 4.059 5.212 1.00 1.22 C ATOM 2027 CD2 PHE A 132 14.598 4.358 3.752 1.00 1.31 C ATOM 2028 CE1 PHE A 132 16.595 5.429 5.318 1.00 1.66 C ATOM 2029 CE2 PHE A 132 14.733 5.729 3.854 1.00 1.74 C ATOM 2030 CZ PHE A 132 15.751 6.261 4.667 1.00 1.91 C ATOM 0 H PHE A 132 14.252 -0.662 5.140 1.00 0.39 H new ATOM 0 HA PHE A 132 14.853 1.900 6.396 1.00 0.48 H new ATOM 0 HB2 PHE A 132 16.288 1.562 4.229 1.00 0.69 H new ATOM 0 HB3 PHE A 132 14.770 1.788 3.383 1.00 0.69 H new ATOM 0 HD1 PHE A 132 17.134 3.410 5.746 1.00 1.22 H new ATOM 0 HD2 PHE A 132 13.813 3.944 3.137 1.00 1.31 H new ATOM 0 HE1 PHE A 132 17.386 5.840 5.927 1.00 1.66 H new ATOM 0 HE2 PHE A 132 14.065 6.385 3.316 1.00 1.74 H new ATOM 0 HZ PHE A 132 15.858 7.331 4.771 1.00 1.91 H new ATOM 2040 N THR A 133 12.514 2.653 5.802 1.00 0.37 N ATOM 2041 CA THR A 133 11.086 2.918 5.715 1.00 0.32 C ATOM 2042 C THR A 133 10.794 4.126 4.824 1.00 0.31 C ATOM 2043 O THR A 133 11.020 5.271 5.218 1.00 0.36 O ATOM 2044 CB THR A 133 10.481 3.159 7.112 1.00 0.44 C ATOM 2045 OG1 THR A 133 10.748 2.031 7.959 1.00 1.19 O ATOM 2046 CG2 THR A 133 8.978 3.394 7.030 1.00 1.17 C ATOM 0 H THR A 133 13.048 3.380 6.278 1.00 0.37 H new ATOM 0 HA THR A 133 10.626 2.035 5.272 1.00 0.32 H new ATOM 0 HB THR A 133 10.944 4.052 7.532 1.00 0.44 H new ATOM 0 HG1 THR A 133 10.024 1.376 7.869 1.00 1.19 H new ATOM 0 HG21 THR A 133 8.581 3.561 8.031 1.00 1.17 H new ATOM 0 HG22 THR A 133 8.780 4.269 6.411 1.00 1.17 H new ATOM 0 HG23 THR A 133 8.497 2.521 6.590 1.00 1.17 H new ATOM 2054 N ILE A 134 10.314 3.859 3.619 1.00 0.28 N ATOM 2055 CA ILE A 134 9.842 4.907 2.722 1.00 0.31 C ATOM 2056 C ILE A 134 8.405 4.620 2.313 1.00 0.28 C ATOM 2057 O ILE A 134 8.068 3.490 1.984 1.00 0.26 O ATOM 2058 CB ILE A 134 10.733 5.057 1.461 1.00 0.36 C ATOM 2059 CG1 ILE A 134 11.027 3.697 0.809 1.00 0.41 C ATOM 2060 CG2 ILE A 134 12.024 5.782 1.803 1.00 0.41 C ATOM 2061 CD1 ILE A 134 10.024 3.294 -0.255 1.00 0.50 C ATOM 0 H ILE A 134 10.240 2.917 3.236 1.00 0.28 H new ATOM 0 HA ILE A 134 9.896 5.851 3.265 1.00 0.31 H new ATOM 0 HB ILE A 134 10.181 5.654 0.735 1.00 0.36 H new ATOM 0 HG12 ILE A 134 12.022 3.726 0.364 1.00 0.41 H new ATOM 0 HG13 ILE A 134 11.047 2.931 1.584 1.00 0.41 H new ATOM 0 HG21 ILE A 134 12.636 5.878 0.906 1.00 0.41 H new ATOM 0 HG22 ILE A 134 11.792 6.774 2.192 1.00 0.41 H new ATOM 0 HG23 ILE A 134 12.571 5.215 2.557 1.00 0.41 H new ATOM 0 HD11 ILE A 134 10.301 2.323 -0.667 1.00 0.50 H new ATOM 0 HD12 ILE A 134 9.030 3.230 0.188 1.00 0.50 H new ATOM 0 HD13 ILE A 134 10.020 4.038 -1.051 1.00 0.50 H new ATOM 2073 N PRO A 135 7.520 5.615 2.369 1.00 0.30 N ATOM 2074 CA PRO A 135 6.132 5.418 2.002 1.00 0.29 C ATOM 2075 C PRO A 135 5.880 5.619 0.514 1.00 0.28 C ATOM 2076 O PRO A 135 6.680 6.237 -0.195 1.00 0.31 O ATOM 2077 CB PRO A 135 5.416 6.484 2.825 1.00 0.35 C ATOM 2078 CG PRO A 135 6.403 7.603 2.940 1.00 0.45 C ATOM 2079 CD PRO A 135 7.783 6.993 2.817 1.00 0.39 C ATOM 0 HA PRO A 135 5.792 4.401 2.196 1.00 0.29 H new ATOM 0 HB2 PRO A 135 4.500 6.813 2.335 1.00 0.35 H new ATOM 0 HB3 PRO A 135 5.133 6.103 3.806 1.00 0.35 H new ATOM 0 HG2 PRO A 135 6.238 8.344 2.158 1.00 0.45 H new ATOM 0 HG3 PRO A 135 6.293 8.117 3.895 1.00 0.45 H new ATOM 0 HD2 PRO A 135 8.398 7.536 2.099 1.00 0.39 H new ATOM 0 HD3 PRO A 135 8.314 7.010 3.769 1.00 0.39 H new ATOM 2087 N ILE A 136 4.761 5.093 0.055 1.00 0.26 N ATOM 2088 CA ILE A 136 4.353 5.224 -1.326 1.00 0.27 C ATOM 2089 C ILE A 136 2.833 5.096 -1.391 1.00 0.26 C ATOM 2090 O ILE A 136 2.200 4.645 -0.433 1.00 0.26 O ATOM 2091 CB ILE A 136 5.062 4.183 -2.238 1.00 0.28 C ATOM 2092 CG1 ILE A 136 4.846 4.514 -3.729 1.00 0.44 C ATOM 2093 CG2 ILE A 136 4.609 2.767 -1.910 1.00 0.33 C ATOM 2094 CD1 ILE A 136 3.827 3.645 -4.436 1.00 0.32 C ATOM 0 H ILE A 136 4.109 4.562 0.632 1.00 0.26 H new ATOM 0 HA ILE A 136 4.651 6.202 -1.704 1.00 0.27 H new ATOM 0 HB ILE A 136 6.133 4.238 -2.041 1.00 0.28 H new ATOM 0 HG12 ILE A 136 4.534 5.555 -3.813 1.00 0.44 H new ATOM 0 HG13 ILE A 136 5.800 4.424 -4.248 1.00 0.44 H new ATOM 0 HG21 ILE A 136 5.121 2.061 -2.563 1.00 0.33 H new ATOM 0 HG22 ILE A 136 4.848 2.540 -0.871 1.00 0.33 H new ATOM 0 HG23 ILE A 136 3.533 2.685 -2.060 1.00 0.33 H new ATOM 0 HD11 ILE A 136 3.746 3.954 -5.478 1.00 0.32 H new ATOM 0 HD12 ILE A 136 4.143 2.603 -4.390 1.00 0.32 H new ATOM 0 HD13 ILE A 136 2.858 3.752 -3.949 1.00 0.32 H new ATOM 2106 N SER A 137 2.257 5.493 -2.502 1.00 0.28 N ATOM 2107 CA SER A 137 0.825 5.650 -2.579 1.00 0.30 C ATOM 2108 C SER A 137 0.276 5.054 -3.861 1.00 0.30 C ATOM 2109 O SER A 137 0.958 5.028 -4.886 1.00 0.32 O ATOM 2110 CB SER A 137 0.472 7.131 -2.510 1.00 0.34 C ATOM 2111 OG SER A 137 1.353 7.832 -1.649 1.00 0.88 O ATOM 0 H SER A 137 2.758 5.713 -3.363 1.00 0.28 H new ATOM 0 HA SER A 137 0.376 5.121 -1.738 1.00 0.30 H new ATOM 0 HB2 SER A 137 0.516 7.564 -3.509 1.00 0.34 H new ATOM 0 HB3 SER A 137 -0.553 7.246 -2.157 1.00 0.34 H new ATOM 0 HG SER A 137 0.994 7.825 -0.737 1.00 0.88 H new ATOM 2117 N SER A 138 -0.956 4.583 -3.809 1.00 0.31 N ATOM 2118 CA SER A 138 -1.639 4.097 -4.986 1.00 0.34 C ATOM 2119 C SER A 138 -3.110 4.436 -4.837 1.00 0.34 C ATOM 2120 O SER A 138 -3.835 3.788 -4.090 1.00 0.35 O ATOM 2121 CB SER A 138 -1.437 2.582 -5.147 1.00 0.40 C ATOM 2122 OG SER A 138 -2.041 2.097 -6.339 1.00 0.96 O ATOM 0 H SER A 138 -1.507 4.528 -2.952 1.00 0.31 H new ATOM 0 HA SER A 138 -1.234 4.569 -5.881 1.00 0.34 H new ATOM 0 HB2 SER A 138 -0.371 2.356 -5.161 1.00 0.40 H new ATOM 0 HB3 SER A 138 -1.861 2.064 -4.287 1.00 0.40 H new ATOM 0 HG SER A 138 -1.893 1.131 -6.411 1.00 0.96 H new ATOM 2128 N LYS A 139 -3.538 5.473 -5.524 1.00 0.36 N ATOM 2129 CA LYS A 139 -4.880 5.998 -5.355 1.00 0.38 C ATOM 2130 C LYS A 139 -5.641 5.885 -6.662 1.00 0.41 C ATOM 2131 O LYS A 139 -5.050 6.039 -7.731 1.00 0.47 O ATOM 2132 CB LYS A 139 -4.792 7.453 -4.885 1.00 0.44 C ATOM 2133 CG LYS A 139 -3.943 8.337 -5.785 1.00 0.57 C ATOM 2134 CD LYS A 139 -3.039 9.261 -4.982 1.00 0.92 C ATOM 2135 CE LYS A 139 -3.822 10.100 -3.984 1.00 1.35 C ATOM 2136 NZ LYS A 139 -2.957 11.101 -3.305 1.00 1.76 N ATOM 0 H LYS A 139 -2.973 5.974 -6.210 1.00 0.36 H new ATOM 0 HA LYS A 139 -5.419 5.422 -4.602 1.00 0.38 H new ATOM 0 HB2 LYS A 139 -5.798 7.868 -4.828 1.00 0.44 H new ATOM 0 HB3 LYS A 139 -4.380 7.475 -3.876 1.00 0.44 H new ATOM 0 HG2 LYS A 139 -3.335 7.712 -6.439 1.00 0.57 H new ATOM 0 HG3 LYS A 139 -4.593 8.932 -6.427 1.00 0.57 H new ATOM 0 HD2 LYS A 139 -2.294 8.668 -4.451 1.00 0.92 H new ATOM 0 HD3 LYS A 139 -2.497 9.919 -5.662 1.00 0.92 H new ATOM 0 HE2 LYS A 139 -4.635 10.612 -4.499 1.00 1.35 H new ATOM 0 HE3 LYS A 139 -4.277 9.448 -3.239 1.00 1.35 H new ATOM 0 HZ1 LYS A 139 -3.059 11.006 -2.274 1.00 1.76 H new ATOM 0 HZ2 LYS A 139 -1.965 10.939 -3.571 1.00 1.76 H new ATOM 0 HZ3 LYS A 139 -3.241 12.059 -3.594 1.00 1.76 H new ATOM 2150 N GLY A 140 -6.937 5.603 -6.598 1.00 0.42 N ATOM 2151 CA GLY A 140 -7.686 5.372 -7.809 1.00 0.50 C ATOM 2152 C GLY A 140 -9.180 5.545 -7.608 1.00 0.46 C ATOM 2153 O GLY A 140 -9.703 5.316 -6.519 1.00 0.47 O ATOM 0 H GLY A 140 -7.475 5.532 -5.734 1.00 0.42 H new ATOM 0 HA2 GLY A 140 -7.344 6.061 -8.581 1.00 0.50 H new ATOM 0 HA3 GLY A 140 -7.485 4.363 -8.170 1.00 0.50 H new ATOM 2157 N GLU A 141 -9.839 5.967 -8.665 1.00 0.44 N ATOM 2158 CA GLU A 141 -11.287 6.159 -8.656 1.00 0.42 C ATOM 2159 C GLU A 141 -11.956 5.070 -9.483 1.00 0.43 C ATOM 2160 O GLU A 141 -11.598 4.868 -10.646 1.00 0.48 O ATOM 2161 CB GLU A 141 -11.641 7.537 -9.211 1.00 0.45 C ATOM 2162 CG GLU A 141 -10.871 8.665 -8.542 1.00 0.52 C ATOM 2163 CD GLU A 141 -11.034 9.996 -9.242 1.00 1.24 C ATOM 2164 OE1 GLU A 141 -12.184 10.459 -9.376 1.00 1.51 O ATOM 2165 OE2 GLU A 141 -10.021 10.582 -9.669 1.00 2.10 O ATOM 0 H GLU A 141 -9.395 6.188 -9.556 1.00 0.44 H new ATOM 0 HA GLU A 141 -11.647 6.097 -7.629 1.00 0.42 H new ATOM 0 HB2 GLU A 141 -11.440 7.553 -10.282 1.00 0.45 H new ATOM 0 HB3 GLU A 141 -12.710 7.710 -9.084 1.00 0.45 H new ATOM 0 HG2 GLU A 141 -11.206 8.762 -7.509 1.00 0.52 H new ATOM 0 HG3 GLU A 141 -9.813 8.405 -8.511 1.00 0.52 H new ATOM 2172 N ILE A 142 -12.930 4.369 -8.902 1.00 0.42 N ATOM 2173 CA ILE A 142 -13.582 3.255 -9.584 1.00 0.47 C ATOM 2174 C ILE A 142 -15.066 3.256 -9.224 1.00 0.46 C ATOM 2175 O ILE A 142 -15.500 4.042 -8.375 1.00 0.42 O ATOM 2176 CB ILE A 142 -12.965 1.855 -9.259 1.00 0.54 C ATOM 2177 CG1 ILE A 142 -13.491 1.273 -7.936 1.00 0.76 C ATOM 2178 CG2 ILE A 142 -11.444 1.913 -9.239 1.00 0.60 C ATOM 2179 CD1 ILE A 142 -13.115 2.064 -6.705 1.00 0.67 C ATOM 0 H ILE A 142 -13.283 4.554 -7.963 1.00 0.42 H new ATOM 0 HA ILE A 142 -13.429 3.409 -10.652 1.00 0.47 H new ATOM 0 HB ILE A 142 -13.281 1.187 -10.060 1.00 0.54 H new ATOM 0 HG12 ILE A 142 -14.578 1.206 -7.991 1.00 0.76 H new ATOM 0 HG13 ILE A 142 -13.114 0.256 -7.827 1.00 0.76 H new ATOM 0 HG21 ILE A 142 -11.045 0.925 -9.010 1.00 0.60 H new ATOM 0 HG22 ILE A 142 -11.079 2.235 -10.215 1.00 0.60 H new ATOM 0 HG23 ILE A 142 -11.117 2.621 -8.478 1.00 0.60 H new ATOM 0 HD11 ILE A 142 -13.529 1.579 -5.821 1.00 0.67 H new ATOM 0 HD12 ILE A 142 -12.029 2.110 -6.619 1.00 0.67 H new ATOM 0 HD13 ILE A 142 -13.515 3.075 -6.786 1.00 0.67 H new ATOM 2191 N LYS A 143 -15.833 2.391 -9.879 1.00 0.53 N ATOM 2192 CA LYS A 143 -17.280 2.321 -9.682 1.00 0.57 C ATOM 2193 C LYS A 143 -17.676 2.126 -8.213 1.00 0.54 C ATOM 2194 O LYS A 143 -16.878 1.681 -7.384 1.00 0.57 O ATOM 2195 CB LYS A 143 -17.869 1.172 -10.503 1.00 0.70 C ATOM 2196 CG LYS A 143 -17.449 -0.203 -9.998 1.00 1.44 C ATOM 2197 CD LYS A 143 -18.212 -1.318 -10.690 1.00 2.04 C ATOM 2198 CE LYS A 143 -17.978 -2.655 -10.006 1.00 2.74 C ATOM 2199 NZ LYS A 143 -18.388 -2.627 -8.574 1.00 3.53 N ATOM 0 H LYS A 143 -15.473 1.721 -10.559 1.00 0.53 H new ATOM 0 HA LYS A 143 -17.680 3.279 -10.013 1.00 0.57 H new ATOM 0 HB2 LYS A 143 -18.957 1.242 -10.486 1.00 0.70 H new ATOM 0 HB3 LYS A 143 -17.559 1.281 -11.542 1.00 0.70 H new ATOM 0 HG2 LYS A 143 -16.380 -0.339 -10.162 1.00 1.44 H new ATOM 0 HG3 LYS A 143 -17.617 -0.262 -8.923 1.00 1.44 H new ATOM 0 HD2 LYS A 143 -19.277 -1.088 -10.688 1.00 2.04 H new ATOM 0 HD3 LYS A 143 -17.901 -1.381 -11.733 1.00 2.04 H new ATOM 0 HE2 LYS A 143 -18.536 -3.432 -10.528 1.00 2.74 H new ATOM 0 HE3 LYS A 143 -16.923 -2.919 -10.076 1.00 2.74 H new ATOM 0 HZ1 LYS A 143 -18.930 -3.486 -8.351 1.00 3.53 H new ATOM 0 HZ2 LYS A 143 -17.541 -2.585 -7.971 1.00 3.53 H new ATOM 0 HZ3 LYS A 143 -18.979 -1.790 -8.399 1.00 3.53 H new ATOM 2213 N LEU A 144 -18.931 2.449 -7.921 1.00 0.60 N ATOM 2214 CA LEU A 144 -19.508 2.268 -6.594 1.00 0.66 C ATOM 2215 C LEU A 144 -19.440 0.794 -6.173 1.00 0.60 C ATOM 2216 O LEU A 144 -19.707 -0.100 -6.982 1.00 0.63 O ATOM 2217 CB LEU A 144 -20.971 2.739 -6.615 1.00 0.83 C ATOM 2218 CG LEU A 144 -21.684 2.806 -5.259 1.00 0.69 C ATOM 2219 CD1 LEU A 144 -21.148 3.952 -4.415 1.00 1.21 C ATOM 2220 CD2 LEU A 144 -23.181 2.962 -5.459 1.00 1.23 C ATOM 0 H LEU A 144 -19.580 2.845 -8.601 1.00 0.60 H new ATOM 0 HA LEU A 144 -18.940 2.856 -5.873 1.00 0.66 H new ATOM 0 HB2 LEU A 144 -21.005 3.730 -7.068 1.00 0.83 H new ATOM 0 HB3 LEU A 144 -21.536 2.071 -7.266 1.00 0.83 H new ATOM 0 HG LEU A 144 -21.490 1.873 -4.730 1.00 0.69 H new ATOM 0 HD11 LEU A 144 -21.671 3.976 -3.459 1.00 1.21 H new ATOM 0 HD12 LEU A 144 -20.082 3.808 -4.241 1.00 1.21 H new ATOM 0 HD13 LEU A 144 -21.306 4.895 -4.939 1.00 1.21 H new ATOM 0 HD21 LEU A 144 -23.675 3.008 -4.488 1.00 1.23 H new ATOM 0 HD22 LEU A 144 -23.381 3.880 -6.012 1.00 1.23 H new ATOM 0 HD23 LEU A 144 -23.564 2.110 -6.021 1.00 1.23 H new ATOM 2232 N PRO A 145 -19.057 0.521 -4.913 1.00 0.61 N ATOM 2233 CA PRO A 145 -19.013 -0.844 -4.373 1.00 0.64 C ATOM 2234 C PRO A 145 -20.401 -1.471 -4.256 1.00 0.66 C ATOM 2235 O PRO A 145 -21.414 -0.805 -4.476 1.00 0.65 O ATOM 2236 CB PRO A 145 -18.391 -0.662 -2.985 1.00 0.71 C ATOM 2237 CG PRO A 145 -18.667 0.756 -2.626 1.00 0.69 C ATOM 2238 CD PRO A 145 -18.622 1.518 -3.918 1.00 0.67 C ATOM 0 HA PRO A 145 -18.451 -1.517 -5.021 1.00 0.64 H new ATOM 0 HB2 PRO A 145 -18.833 -1.346 -2.261 1.00 0.71 H new ATOM 0 HB3 PRO A 145 -17.320 -0.864 -3.002 1.00 0.71 H new ATOM 0 HG2 PRO A 145 -19.641 0.856 -2.146 1.00 0.69 H new ATOM 0 HG3 PRO A 145 -17.925 1.133 -1.923 1.00 0.69 H new ATOM 0 HD2 PRO A 145 -19.285 2.383 -3.898 1.00 0.67 H new ATOM 0 HD3 PRO A 145 -17.620 1.889 -4.132 1.00 0.67 H new