USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 47:sc= 0.151 USER MOD Set 1.2: A 147 HIS : no HD1:sc= -0.0918 K(o=0.059,f=-0.7) USER MOD Set 2.1: A 5 SER OG : rot 101:sc= 0.893 USER MOD Set 2.2: A 106 TYR OH : rot -178:sc= 0.383 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 2.57 (180deg=0.926) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.51) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0.274 (180deg=0.207) USER MOD Single : A 32 GLN : amide:sc= -0.934 X(o=-0.93,f=-1.4!) USER MOD Single : A 33 TYR OH : rot 119:sc= -0.363 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 100:sc= 0.00305 USER MOD Single : A 61 GLN : amide:sc= 0.714 K(o=0.71,f=-7.2!) USER MOD Single : A 64 MET CE :methyl 138:sc= -0.0419 (180deg=-1.37) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -43:sc= 0.335 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 79:sc= 1 USER MOD Single : A 96 THR OG1 : rot 39:sc= 0.431 USER MOD Single : A 98 TYR OH : rot -21:sc= 1.03 USER MOD Single : A 110 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.3) USER MOD Single : A 112 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.008) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -10:sc= 0.307 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 77:sc= 0.648 USER MOD Single : A 153 GLN : amide:sc= 0.676 K(o=0.68,f=-1) USER MOD Single : A 158 SER OG : rot -93:sc= 0.161 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.914 -2.938 -13.050 1.00 0.00 N ATOM 2 CA MET A 1 -9.723 -2.628 -11.830 1.00 0.00 C ATOM 3 C MET A 1 -9.619 -3.572 -10.578 1.00 0.00 C ATOM 4 O MET A 1 -10.336 -3.306 -9.609 1.00 0.00 O ATOM 5 CB MET A 1 -11.192 -2.430 -12.299 1.00 0.00 C ATOM 6 CG MET A 1 -11.462 -1.126 -13.087 1.00 0.00 C ATOM 7 SD MET A 1 -13.190 -1.044 -13.594 1.00 0.00 S ATOM 8 CE MET A 1 -13.125 -1.843 -15.206 1.00 0.00 C ATOM 0 H1 MET A 1 -8.766 -2.067 -13.599 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.993 -3.328 -12.766 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.420 -3.634 -13.634 1.00 0.00 H new ATOM 0 HA MET A 1 -9.276 -1.728 -11.407 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.475 -3.278 -12.923 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.841 -2.448 -11.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.217 -0.263 -12.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.817 -1.084 -13.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.124 -1.865 -15.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.456 -1.286 -15.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.756 -2.862 -15.092 1.00 0.00 H new ATOM 20 N GLU A 2 -8.730 -4.586 -10.513 1.00 0.00 N ATOM 21 CA GLU A 2 -8.459 -5.339 -9.244 1.00 0.00 C ATOM 22 C GLU A 2 -7.755 -4.487 -8.110 1.00 0.00 C ATOM 23 O GLU A 2 -7.415 -3.314 -8.308 1.00 0.00 O ATOM 24 CB GLU A 2 -7.755 -6.677 -9.627 1.00 0.00 C ATOM 25 CG GLU A 2 -6.278 -6.590 -10.091 1.00 0.00 C ATOM 26 CD GLU A 2 -5.545 -7.904 -10.246 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.629 -8.515 -11.329 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.834 -8.303 -9.302 1.00 0.00 O ATOM 0 H GLU A 2 -8.185 -4.909 -11.312 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.401 -5.579 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.800 -7.342 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.332 -7.147 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.250 -6.068 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.731 -5.975 -9.376 1.00 0.00 H new ATOM 35 N LEU A 3 -7.549 -5.061 -6.917 1.00 0.00 N ATOM 36 CA LEU A 3 -6.988 -4.327 -5.741 1.00 0.00 C ATOM 37 C LEU A 3 -5.760 -5.075 -5.130 1.00 0.00 C ATOM 38 O LEU A 3 -5.837 -6.277 -4.860 1.00 0.00 O ATOM 39 CB LEU A 3 -8.145 -4.089 -4.713 1.00 0.00 C ATOM 40 CG LEU A 3 -8.761 -2.669 -4.724 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.093 -2.659 -3.964 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.829 -1.647 -4.046 1.00 0.00 C ATOM 0 H LEU A 3 -7.760 -6.040 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.599 -3.357 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.937 -4.812 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.767 -4.295 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.910 -2.395 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.514 -1.654 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.788 -3.351 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.925 -2.965 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.292 -0.660 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.658 -1.942 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.877 -1.615 -4.576 1.00 0.00 H new ATOM 54 N VAL A 4 -4.637 -4.369 -4.886 1.00 0.00 N ATOM 55 CA VAL A 4 -3.347 -5.013 -4.467 1.00 0.00 C ATOM 56 C VAL A 4 -2.517 -4.127 -3.461 1.00 0.00 C ATOM 57 O VAL A 4 -2.080 -3.026 -3.804 1.00 0.00 O ATOM 58 CB VAL A 4 -2.564 -5.485 -5.745 1.00 0.00 C ATOM 59 CG1 VAL A 4 -2.130 -4.395 -6.756 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.326 -6.319 -5.383 1.00 0.00 C ATOM 0 H VAL A 4 -4.584 -3.354 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.561 -5.906 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.322 -6.079 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.601 -4.860 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.012 -3.876 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.472 -3.681 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.814 -6.625 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.651 -5.721 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.634 -7.204 -4.826 1.00 0.00 H new ATOM 70 N SER A 5 -2.278 -4.578 -2.215 1.00 0.00 N ATOM 71 CA SER A 5 -1.613 -3.746 -1.160 1.00 0.00 C ATOM 72 C SER A 5 -0.057 -3.869 -1.046 1.00 0.00 C ATOM 73 O SER A 5 0.528 -4.934 -1.256 1.00 0.00 O ATOM 74 CB SER A 5 -2.325 -4.004 0.188 1.00 0.00 C ATOM 75 OG SER A 5 -2.111 -5.318 0.707 1.00 0.00 O ATOM 0 H SER A 5 -2.531 -5.515 -1.901 1.00 0.00 H new ATOM 0 HA SER A 5 -1.730 -2.708 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.978 -3.273 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.395 -3.843 0.060 1.00 0.00 H new ATOM 0 HG SER A 5 -1.427 -5.286 1.408 1.00 0.00 H new ATOM 81 N VAL A 6 0.635 -2.752 -0.732 1.00 0.00 N ATOM 82 CA VAL A 6 2.080 -2.560 -1.093 1.00 0.00 C ATOM 83 C VAL A 6 2.855 -1.914 0.131 1.00 0.00 C ATOM 84 O VAL A 6 2.853 -0.695 0.336 1.00 0.00 O ATOM 85 CB VAL A 6 2.263 -1.871 -2.519 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.165 -2.132 -3.589 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.474 -0.341 -2.562 1.00 0.00 C ATOM 0 H VAL A 6 0.228 -1.963 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 6 2.566 -3.523 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 6 3.186 -2.398 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.419 -1.603 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.102 -3.201 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.204 -1.775 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.583 -0.018 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.614 0.158 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.374 -0.082 -2.005 1.00 0.00 H new ATOM 97 N ALA A 7 3.504 -2.729 0.988 1.00 0.00 N ATOM 98 CA ALA A 7 4.212 -2.250 2.220 1.00 0.00 C ATOM 99 C ALA A 7 5.775 -2.404 2.189 1.00 0.00 C ATOM 100 O ALA A 7 6.326 -3.084 1.316 1.00 0.00 O ATOM 101 CB ALA A 7 3.564 -3.032 3.384 1.00 0.00 C ATOM 0 H ALA A 7 3.559 -3.739 0.856 1.00 0.00 H new ATOM 0 HA ALA A 7 4.091 -1.172 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.029 -2.737 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.497 -2.811 3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.707 -4.101 3.228 1.00 0.00 H new ATOM 107 N ALA A 8 6.492 -1.787 3.150 1.00 0.00 N ATOM 108 CA ALA A 8 7.957 -2.014 3.351 1.00 0.00 C ATOM 109 C ALA A 8 8.296 -2.368 4.842 1.00 0.00 C ATOM 110 O ALA A 8 8.306 -1.495 5.716 1.00 0.00 O ATOM 111 CB ALA A 8 8.694 -0.765 2.820 1.00 0.00 C ATOM 0 H ALA A 8 6.086 -1.122 3.808 1.00 0.00 H new ATOM 0 HA ALA A 8 8.296 -2.886 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.769 -0.894 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.470 -0.633 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.365 0.114 3.373 1.00 0.00 H new ATOM 117 N LEU A 9 8.576 -3.652 5.128 1.00 0.00 N ATOM 118 CA LEU A 9 8.967 -4.117 6.492 1.00 0.00 C ATOM 119 C LEU A 9 10.502 -3.947 6.744 1.00 0.00 C ATOM 120 O LEU A 9 11.308 -4.610 6.083 1.00 0.00 O ATOM 121 CB LEU A 9 8.634 -5.634 6.666 1.00 0.00 C ATOM 122 CG LEU A 9 7.162 -6.105 6.680 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.128 -7.644 6.644 1.00 0.00 C ATOM 124 CD2 LEU A 9 6.434 -5.615 7.935 1.00 0.00 C ATOM 0 H LEU A 9 8.541 -4.399 4.434 1.00 0.00 H new ATOM 0 HA LEU A 9 8.407 -3.508 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.139 -6.171 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.088 -5.960 7.602 1.00 0.00 H new ATOM 0 HG LEU A 9 6.658 -5.690 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.093 -7.985 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.618 -7.998 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.649 -8.040 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.401 -5.962 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.932 -6.008 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.450 -4.525 7.963 1.00 0.00 H new ATOM 136 N ALA A 10 10.904 -3.171 7.764 1.00 0.00 N ATOM 137 CA ALA A 10 12.297 -3.233 8.302 1.00 0.00 C ATOM 138 C ALA A 10 12.503 -4.321 9.429 1.00 0.00 C ATOM 139 O ALA A 10 12.976 -4.014 10.529 1.00 0.00 O ATOM 140 CB ALA A 10 12.585 -1.779 8.741 1.00 0.00 C ATOM 0 H ALA A 10 10.301 -2.497 8.236 1.00 0.00 H new ATOM 0 HA ALA A 10 13.016 -3.576 7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.592 -1.716 9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.504 -1.116 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.862 -1.478 9.500 1.00 0.00 H new ATOM 400 N PRO A 27 17.183 2.161 -3.552 1.00 0.00 N ATOM 401 CA PRO A 27 16.636 2.230 -4.953 1.00 0.00 C ATOM 402 C PRO A 27 16.314 0.941 -5.787 1.00 0.00 C ATOM 403 O PRO A 27 16.024 1.038 -6.985 1.00 0.00 O ATOM 404 CB PRO A 27 17.687 3.096 -5.675 1.00 0.00 C ATOM 405 CG PRO A 27 18.376 3.905 -4.584 1.00 0.00 C ATOM 406 CD PRO A 27 18.407 2.968 -3.381 1.00 0.00 C ATOM 0 HA PRO A 27 15.615 2.602 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.403 2.475 -6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.217 3.750 -6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.381 4.201 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.827 4.820 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.302 2.346 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.398 3.519 -2.441 1.00 0.00 H new ATOM 414 N ALA A 28 16.358 -0.251 -5.186 1.00 0.00 N ATOM 415 CA ALA A 28 15.635 -1.442 -5.700 1.00 0.00 C ATOM 416 C ALA A 28 14.208 -1.677 -5.086 1.00 0.00 C ATOM 417 O ALA A 28 13.313 -1.993 -5.871 1.00 0.00 O ATOM 418 CB ALA A 28 16.618 -2.621 -5.634 1.00 0.00 C ATOM 0 H ALA A 28 16.889 -0.429 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 28 15.344 -1.289 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.130 -3.523 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.490 -2.402 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.932 -2.775 -4.602 1.00 0.00 H new ATOM 424 N ASP A 29 13.934 -1.413 -3.779 1.00 0.00 N ATOM 425 CA ASP A 29 12.551 -1.110 -3.267 1.00 0.00 C ATOM 426 C ASP A 29 11.777 -0.073 -4.156 1.00 0.00 C ATOM 427 O ASP A 29 10.808 -0.430 -4.829 1.00 0.00 O ATOM 428 CB ASP A 29 12.649 -0.717 -1.761 1.00 0.00 C ATOM 429 CG ASP A 29 11.464 -0.002 -1.130 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.311 -0.479 -1.160 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.703 1.120 -0.647 1.00 0.00 O ATOM 0 H ASP A 29 14.649 -1.402 -3.052 1.00 0.00 H new ATOM 0 HA ASP A 29 11.935 -2.006 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.832 -1.627 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.526 -0.082 -1.638 1.00 0.00 H new ATOM 436 N LYS A 30 12.276 1.167 -4.255 1.00 0.00 N ATOM 437 CA LYS A 30 11.631 2.218 -5.104 1.00 0.00 C ATOM 438 C LYS A 30 11.864 2.104 -6.671 1.00 0.00 C ATOM 439 O LYS A 30 11.453 2.998 -7.413 1.00 0.00 O ATOM 440 CB LYS A 30 11.922 3.619 -4.485 1.00 0.00 C ATOM 441 CG LYS A 30 11.444 3.837 -3.016 1.00 0.00 C ATOM 442 CD LYS A 30 9.909 3.923 -2.741 1.00 0.00 C ATOM 443 CE LYS A 30 9.335 3.049 -1.595 1.00 0.00 C ATOM 444 NZ LYS A 30 10.111 3.130 -0.329 1.00 0.00 N ATOM 0 H LYS A 30 13.116 1.480 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 30 10.556 2.042 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.997 3.794 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.452 4.375 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.845 3.023 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.899 4.758 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.664 4.963 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.387 3.657 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.307 3.353 -1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.303 2.010 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.552 2.721 0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.000 2.600 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.324 4.125 -0.116 1.00 0.00 H new ATOM 458 N LYS A 31 12.403 0.984 -7.202 1.00 0.00 N ATOM 459 CA LYS A 31 12.041 0.474 -8.568 1.00 0.00 C ATOM 460 C LYS A 31 10.794 -0.476 -8.591 1.00 0.00 C ATOM 461 O LYS A 31 9.971 -0.347 -9.490 1.00 0.00 O ATOM 462 CB LYS A 31 13.252 -0.285 -9.185 1.00 0.00 C ATOM 463 CG LYS A 31 14.358 0.617 -9.770 1.00 0.00 C ATOM 464 CD LYS A 31 15.652 -0.188 -10.044 1.00 0.00 C ATOM 465 CE LYS A 31 16.923 0.693 -9.988 1.00 0.00 C ATOM 466 NZ LYS A 31 17.913 0.050 -9.071 1.00 0.00 N ATOM 0 H LYS A 31 13.090 0.408 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 31 11.779 1.357 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.692 -0.922 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.886 -0.943 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.007 1.072 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.573 1.430 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.738 -0.991 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.583 -0.658 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.349 0.805 -10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.674 1.693 -9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.846 0.491 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.606 0.176 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.977 -0.965 -9.286 1.00 0.00 H new ATOM 480 N GLN A 32 10.681 -1.451 -7.674 1.00 0.00 N ATOM 481 CA GLN A 32 9.525 -2.388 -7.593 1.00 0.00 C ATOM 482 C GLN A 32 8.193 -1.718 -7.099 1.00 0.00 C ATOM 483 O GLN A 32 7.178 -1.733 -7.801 1.00 0.00 O ATOM 484 CB GLN A 32 10.024 -3.572 -6.714 1.00 0.00 C ATOM 485 CG GLN A 32 9.443 -4.973 -7.024 1.00 0.00 C ATOM 486 CD GLN A 32 9.920 -5.673 -8.313 1.00 0.00 C ATOM 487 OE1 GLN A 32 10.091 -5.086 -9.374 1.00 0.00 O ATOM 488 NE2 GLN A 32 10.140 -6.963 -8.289 1.00 0.00 N ATOM 0 H GLN A 32 11.388 -1.621 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 32 9.228 -2.741 -8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.109 -3.628 -6.805 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.803 -3.337 -5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.673 -5.626 -6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.358 -4.884 -7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.008 -7.487 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.443 -7.445 -9.136 1.00 0.00 H new ATOM 497 N TYR A 33 8.238 -1.042 -5.937 1.00 0.00 N ATOM 498 CA TYR A 33 7.212 -0.067 -5.465 1.00 0.00 C ATOM 499 C TYR A 33 6.759 1.028 -6.504 1.00 0.00 C ATOM 500 O TYR A 33 5.553 1.234 -6.646 1.00 0.00 O ATOM 501 CB TYR A 33 7.803 0.560 -4.158 1.00 0.00 C ATOM 502 CG TYR A 33 6.844 0.813 -2.987 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.131 2.015 -2.880 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.825 -0.090 -1.914 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.436 2.312 -1.709 1.00 0.00 C ATOM 506 CE2 TYR A 33 6.125 0.209 -0.753 1.00 0.00 C ATOM 507 CZ TYR A 33 5.438 1.412 -0.647 1.00 0.00 C ATOM 508 OH TYR A 33 4.746 1.684 0.494 1.00 0.00 O ATOM 0 H TYR A 33 9.006 -1.155 -5.275 1.00 0.00 H new ATOM 0 HA TYR A 33 6.276 -0.599 -5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.599 -0.095 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.266 1.511 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.120 2.711 -3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.359 -1.025 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.895 3.243 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.114 -0.493 0.067 1.00 0.00 H new ATOM 0 HH TYR A 33 4.066 0.993 0.637 1.00 0.00 H new ATOM 518 N ARG A 34 7.682 1.691 -7.250 1.00 0.00 N ATOM 519 CA ARG A 34 7.307 2.646 -8.358 1.00 0.00 C ATOM 520 C ARG A 34 7.409 2.110 -9.845 1.00 0.00 C ATOM 521 O ARG A 34 7.462 2.891 -10.803 1.00 0.00 O ATOM 522 CB ARG A 34 8.046 4.010 -8.119 1.00 0.00 C ATOM 523 CG ARG A 34 7.189 5.274 -8.449 1.00 0.00 C ATOM 524 CD ARG A 34 7.839 6.486 -9.152 1.00 0.00 C ATOM 525 NE ARG A 34 7.970 6.198 -10.612 1.00 0.00 N ATOM 526 CZ ARG A 34 7.132 6.609 -11.565 1.00 0.00 C ATOM 527 NH1 ARG A 34 6.268 7.579 -11.433 1.00 0.00 N ATOM 528 NH2 ARG A 34 7.178 5.996 -12.708 1.00 0.00 N ATOM 0 H ARG A 34 8.688 1.591 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 34 6.228 2.786 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.361 4.061 -7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.951 4.031 -8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.356 4.947 -9.071 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.765 5.632 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.232 7.378 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.819 6.689 -8.720 1.00 0.00 H new ATOM 0 HE ARG A 34 8.770 5.638 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.199 8.084 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.662 7.832 -12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.838 5.231 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.554 6.279 -13.464 1.00 0.00 H new ATOM 542 N SER A 35 7.382 0.782 -10.049 1.00 0.00 N ATOM 543 CA SER A 35 6.972 0.125 -11.333 1.00 0.00 C ATOM 544 C SER A 35 5.634 -0.689 -11.232 1.00 0.00 C ATOM 545 O SER A 35 4.978 -0.864 -12.262 1.00 0.00 O ATOM 546 CB SER A 35 8.110 -0.764 -11.883 1.00 0.00 C ATOM 547 OG SER A 35 7.812 -1.220 -13.208 1.00 0.00 O ATOM 0 H SER A 35 7.645 0.113 -9.326 1.00 0.00 H new ATOM 0 HA SER A 35 6.777 0.938 -12.033 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.044 -0.202 -11.890 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.258 -1.620 -11.225 1.00 0.00 H new ATOM 0 HG SER A 35 8.548 -1.779 -13.535 1.00 0.00 H new ATOM 553 N ARG A 36 5.199 -1.161 -10.040 1.00 0.00 N ATOM 554 CA ARG A 36 3.747 -1.307 -9.720 1.00 0.00 C ATOM 555 C ARG A 36 2.989 0.069 -9.764 1.00 0.00 C ATOM 556 O ARG A 36 2.142 0.262 -10.636 1.00 0.00 O ATOM 557 CB ARG A 36 3.593 -2.035 -8.340 1.00 0.00 C ATOM 558 CG ARG A 36 2.819 -3.375 -8.324 1.00 0.00 C ATOM 559 CD ARG A 36 1.286 -3.278 -8.515 1.00 0.00 C ATOM 560 NE ARG A 36 0.843 -3.468 -9.927 1.00 0.00 N ATOM 561 CZ ARG A 36 0.649 -4.639 -10.529 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.961 -5.788 -9.994 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.132 -4.637 -11.716 1.00 0.00 N ATOM 0 H ARG A 36 5.822 -1.447 -9.285 1.00 0.00 H new ATOM 0 HA ARG A 36 3.276 -1.920 -10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.591 -2.218 -7.942 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.096 -1.351 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.223 -4.014 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.016 -3.874 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.803 -4.028 -7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.946 -2.303 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 36 0.674 -2.627 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.378 -5.821 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.788 -6.653 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.114 -3.754 -12.164 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.029 -5.518 -12.204 1.00 0.00 H new ATOM 577 N VAL A 37 3.341 1.027 -8.879 1.00 0.00 N ATOM 578 CA VAL A 37 2.789 2.415 -8.905 1.00 0.00 C ATOM 579 C VAL A 37 3.509 3.261 -10.017 1.00 0.00 C ATOM 580 O VAL A 37 4.497 3.926 -9.721 1.00 0.00 O ATOM 581 CB VAL A 37 2.913 3.073 -7.472 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.225 4.456 -7.408 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.434 2.256 -6.241 1.00 0.00 C ATOM 0 H VAL A 37 4.012 0.869 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 37 1.729 2.386 -9.158 1.00 0.00 H new ATOM 0 HB VAL A 37 3.997 3.135 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.335 4.871 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.689 5.127 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.166 4.347 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.584 2.842 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.375 2.021 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.006 1.330 -6.174 1.00 0.00 H new ATOM 593 N ALA A 38 3.084 3.230 -11.294 1.00 0.00 N ATOM 594 CA ALA A 38 3.812 3.932 -12.397 1.00 0.00 C ATOM 595 C ALA A 38 3.176 5.289 -12.857 1.00 0.00 C ATOM 596 O ALA A 38 3.732 6.352 -12.556 1.00 0.00 O ATOM 597 CB ALA A 38 4.090 2.900 -13.512 1.00 0.00 C ATOM 0 H ALA A 38 2.247 2.733 -11.598 1.00 0.00 H new ATOM 0 HA ALA A 38 4.769 4.297 -12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.621 3.384 -14.332 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.700 2.089 -13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.146 2.498 -13.879 1.00 0.00 H new ATOM 603 N ASP A 39 2.065 5.253 -13.607 1.00 0.00 N ATOM 604 CA ASP A 39 1.244 6.456 -13.940 1.00 0.00 C ATOM 605 C ASP A 39 -0.291 6.073 -13.878 1.00 0.00 C ATOM 606 O ASP A 39 -1.024 6.205 -14.859 1.00 0.00 O ATOM 607 CB ASP A 39 1.760 7.016 -15.302 1.00 0.00 C ATOM 608 CG ASP A 39 1.335 8.434 -15.700 1.00 0.00 C ATOM 609 OD1 ASP A 39 0.587 9.114 -14.960 1.00 0.00 O ATOM 610 OD2 ASP A 39 1.798 8.886 -16.771 1.00 0.00 O ATOM 0 H ASP A 39 1.698 4.390 -14.008 1.00 0.00 H new ATOM 0 HA ASP A 39 1.349 7.267 -13.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.849 6.985 -15.285 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.434 6.336 -16.089 1.00 0.00 H new ATOM 615 N ASP A 40 -0.791 5.581 -12.716 1.00 0.00 N ATOM 616 CA ASP A 40 -2.196 5.055 -12.568 1.00 0.00 C ATOM 617 C ASP A 40 -2.689 5.128 -11.047 1.00 0.00 C ATOM 618 O ASP A 40 -1.835 5.213 -10.150 1.00 0.00 O ATOM 619 CB ASP A 40 -2.216 3.622 -13.198 1.00 0.00 C ATOM 620 CG ASP A 40 -3.541 3.089 -13.736 1.00 0.00 C ATOM 621 OD1 ASP A 40 -4.351 3.867 -14.284 1.00 0.00 O ATOM 622 OD2 ASP A 40 -3.787 1.874 -13.605 1.00 0.00 O ATOM 0 H ASP A 40 -0.247 5.532 -11.855 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.920 5.672 -13.101 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.495 3.608 -14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.857 2.922 -12.444 1.00 0.00 H new ATOM 627 N PRO A 41 -4.006 5.140 -10.657 1.00 0.00 N ATOM 628 CA PRO A 41 -4.467 5.554 -9.297 1.00 0.00 C ATOM 629 C PRO A 41 -3.943 4.825 -8.011 1.00 0.00 C ATOM 630 O PRO A 41 -3.983 3.599 -7.871 1.00 0.00 O ATOM 631 CB PRO A 41 -6.002 5.452 -9.413 1.00 0.00 C ATOM 632 CG PRO A 41 -6.317 5.626 -10.902 1.00 0.00 C ATOM 633 CD PRO A 41 -5.133 4.956 -11.588 1.00 0.00 C ATOM 0 HA PRO A 41 -4.039 6.536 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.359 4.489 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.492 6.222 -8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.260 5.152 -11.172 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.399 6.678 -11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.327 3.899 -11.770 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.926 5.413 -12.556 1.00 0.00 H new ATOM 641 N VAL A 42 -3.519 5.626 -7.023 1.00 0.00 N ATOM 642 CA VAL A 42 -2.797 5.154 -5.806 1.00 0.00 C ATOM 643 C VAL A 42 -3.632 5.382 -4.497 1.00 0.00 C ATOM 644 O VAL A 42 -3.886 6.521 -4.098 1.00 0.00 O ATOM 645 CB VAL A 42 -1.348 5.773 -5.781 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.237 7.317 -5.844 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.505 5.274 -4.586 1.00 0.00 C ATOM 0 H VAL A 42 -3.664 6.636 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.675 4.072 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.950 5.403 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.187 7.608 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.691 7.677 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.755 7.754 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.483 5.733 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.999 5.546 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.403 4.190 -4.640 1.00 0.00 H new ATOM 657 N VAL A 43 -4.009 4.302 -3.794 1.00 0.00 N ATOM 658 CA VAL A 43 -4.714 4.375 -2.480 1.00 0.00 C ATOM 659 C VAL A 43 -3.680 4.524 -1.313 1.00 0.00 C ATOM 660 O VAL A 43 -2.809 3.672 -1.118 1.00 0.00 O ATOM 661 CB VAL A 43 -5.635 3.121 -2.269 1.00 0.00 C ATOM 662 CG1 VAL A 43 -6.550 3.271 -1.027 1.00 0.00 C ATOM 663 CG2 VAL A 43 -6.545 2.677 -3.450 1.00 0.00 C ATOM 0 H VAL A 43 -3.839 3.347 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.354 5.257 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.883 2.341 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.169 2.380 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.936 3.394 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.190 4.145 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.121 1.800 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.226 3.488 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.927 2.432 -4.314 1.00 0.00 H new ATOM 673 N LEU A 44 -3.778 5.587 -0.509 1.00 0.00 N ATOM 674 CA LEU A 44 -2.832 5.831 0.613 1.00 0.00 C ATOM 675 C LEU A 44 -3.509 6.509 1.842 1.00 0.00 C ATOM 676 O LEU A 44 -4.606 7.082 1.771 1.00 0.00 O ATOM 677 CB LEU A 44 -1.532 6.506 0.081 1.00 0.00 C ATOM 678 CG LEU A 44 -1.581 7.878 -0.641 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.859 9.051 0.309 1.00 0.00 C ATOM 680 CD2 LEU A 44 -0.237 8.118 -1.356 1.00 0.00 C ATOM 0 H LEU A 44 -4.500 6.301 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.512 4.876 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.859 6.617 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.064 5.801 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.407 7.837 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.880 9.981 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.821 8.902 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.073 9.103 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.263 9.081 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.570 8.117 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.066 7.326 -2.085 1.00 0.00 H new ATOM 692 N GLY A 45 -2.854 6.440 3.014 1.00 0.00 N ATOM 693 CA GLY A 45 -3.358 7.127 4.230 1.00 0.00 C ATOM 694 C GLY A 45 -2.962 8.606 4.364 1.00 0.00 C ATOM 695 O GLY A 45 -1.850 9.009 4.027 1.00 0.00 O ATOM 0 H GLY A 45 -1.985 5.924 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.446 7.057 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.995 6.590 5.107 1.00 0.00 H new ATOM 699 N ARG A 46 -3.868 9.407 4.940 1.00 0.00 N ATOM 700 CA ARG A 46 -3.575 10.834 5.280 1.00 0.00 C ATOM 701 C ARG A 46 -2.358 11.135 6.239 1.00 0.00 C ATOM 702 O ARG A 46 -1.849 12.257 6.224 1.00 0.00 O ATOM 703 CB ARG A 46 -4.892 11.454 5.812 1.00 0.00 C ATOM 704 CG ARG A 46 -4.897 13.008 5.871 1.00 0.00 C ATOM 705 CD ARG A 46 -5.777 13.602 6.979 1.00 0.00 C ATOM 706 NE ARG A 46 -5.146 13.365 8.314 1.00 0.00 N ATOM 707 CZ ARG A 46 -5.752 12.928 9.410 1.00 0.00 C ATOM 708 NH1 ARG A 46 -7.022 12.636 9.467 1.00 0.00 N ATOM 709 NH2 ARG A 46 -5.037 12.792 10.483 1.00 0.00 N ATOM 0 H ARG A 46 -4.811 9.106 5.186 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.225 11.297 4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.715 11.125 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.084 11.065 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.874 13.357 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.236 13.394 4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.910 14.671 6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.768 13.149 6.950 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.148 13.559 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.607 12.740 8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.430 12.304 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.043 13.019 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.469 12.458 11.345 1.00 0.00 H new ATOM 723 N THR A 47 -1.891 10.177 7.052 1.00 0.00 N ATOM 724 CA THR A 47 -0.551 10.241 7.713 1.00 0.00 C ATOM 725 C THR A 47 0.651 10.369 6.696 1.00 0.00 C ATOM 726 O THR A 47 1.300 11.413 6.701 1.00 0.00 O ATOM 727 CB THR A 47 -0.428 9.094 8.771 1.00 0.00 C ATOM 728 OG1 THR A 47 -0.307 7.811 8.160 1.00 0.00 O ATOM 729 CG2 THR A 47 -1.544 9.017 9.833 1.00 0.00 C ATOM 0 H THR A 47 -2.418 9.334 7.278 1.00 0.00 H new ATOM 0 HA THR A 47 -0.475 11.177 8.266 1.00 0.00 H new ATOM 0 HB THR A 47 0.484 9.370 9.300 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.231 7.124 8.855 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.348 8.184 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.569 9.946 10.402 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.505 8.867 9.341 1.00 0.00 H new ATOM 737 N THR A 48 0.916 9.416 5.773 1.00 0.00 N ATOM 738 CA THR A 48 1.926 9.614 4.663 1.00 0.00 C ATOM 739 C THR A 48 1.699 10.785 3.624 1.00 0.00 C ATOM 740 O THR A 48 2.664 11.285 3.041 1.00 0.00 O ATOM 741 CB THR A 48 2.285 8.246 3.999 1.00 0.00 C ATOM 742 OG1 THR A 48 3.432 8.389 3.170 1.00 0.00 O ATOM 743 CG2 THR A 48 1.211 7.596 3.115 1.00 0.00 C ATOM 0 H THR A 48 0.459 8.504 5.759 1.00 0.00 H new ATOM 0 HA THR A 48 2.796 10.012 5.185 1.00 0.00 H new ATOM 0 HB THR A 48 2.430 7.596 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.649 7.526 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.588 6.654 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.317 7.407 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.964 8.265 2.291 1.00 0.00 H new ATOM 751 N PHE A 49 0.450 11.224 3.397 1.00 0.00 N ATOM 752 CA PHE A 49 0.098 12.340 2.457 1.00 0.00 C ATOM 753 C PHE A 49 0.765 13.753 2.652 1.00 0.00 C ATOM 754 O PHE A 49 0.762 14.521 1.687 1.00 0.00 O ATOM 755 CB PHE A 49 -1.462 12.406 2.471 1.00 0.00 C ATOM 756 CG PHE A 49 -2.173 13.457 1.581 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.479 13.205 0.242 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.529 14.693 2.137 1.00 0.00 C ATOM 759 CE1 PHE A 49 -3.144 14.163 -0.527 1.00 0.00 C ATOM 760 CE2 PHE A 49 -3.173 15.658 1.366 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.481 15.392 0.033 1.00 0.00 C ATOM 0 H PHE A 49 -0.365 10.820 3.859 1.00 0.00 H new ATOM 0 HA PHE A 49 0.533 12.090 1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.836 11.423 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.776 12.579 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.199 12.261 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.302 14.899 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.396 13.950 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.433 16.612 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.981 16.139 -0.565 1.00 0.00 H new ATOM 771 N GLU A 50 1.301 14.149 3.830 1.00 0.00 N ATOM 772 CA GLU A 50 2.098 15.416 3.936 1.00 0.00 C ATOM 773 C GLU A 50 3.567 15.423 3.375 1.00 0.00 C ATOM 774 O GLU A 50 4.055 16.510 3.046 1.00 0.00 O ATOM 775 CB GLU A 50 1.866 16.175 5.270 1.00 0.00 C ATOM 776 CG GLU A 50 2.750 16.002 6.530 1.00 0.00 C ATOM 777 CD GLU A 50 2.306 16.899 7.705 1.00 0.00 C ATOM 778 OE1 GLU A 50 1.213 17.528 7.652 1.00 0.00 O ATOM 779 OE2 GLU A 50 3.075 17.008 8.679 1.00 0.00 O ATOM 0 H GLU A 50 1.206 13.633 4.705 1.00 0.00 H new ATOM 0 HA GLU A 50 1.646 16.041 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.891 17.237 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.847 15.943 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.723 14.959 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.785 16.231 6.276 1.00 0.00 H new ATOM 786 N SER A 51 4.215 14.258 3.154 1.00 0.00 N ATOM 787 CA SER A 51 5.280 14.127 2.108 1.00 0.00 C ATOM 788 C SER A 51 4.744 14.218 0.631 1.00 0.00 C ATOM 789 O SER A 51 5.310 14.946 -0.185 1.00 0.00 O ATOM 790 CB SER A 51 6.078 12.806 2.298 1.00 0.00 C ATOM 791 OG SER A 51 7.002 12.856 3.384 1.00 0.00 O ATOM 0 H SER A 51 4.030 13.400 3.673 1.00 0.00 H new ATOM 0 HA SER A 51 5.936 14.986 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.378 11.987 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.620 12.582 1.379 1.00 0.00 H new ATOM 0 HG SER A 51 7.471 11.998 3.454 1.00 0.00 H new ATOM 797 N MET A 52 3.653 13.509 0.282 1.00 0.00 N ATOM 798 CA MET A 52 3.139 13.404 -1.123 1.00 0.00 C ATOM 799 C MET A 52 2.295 14.636 -1.668 1.00 0.00 C ATOM 800 O MET A 52 1.353 14.484 -2.450 1.00 0.00 O ATOM 801 CB MET A 52 2.341 12.068 -1.221 1.00 0.00 C ATOM 802 CG MET A 52 2.943 10.752 -0.665 1.00 0.00 C ATOM 803 SD MET A 52 4.509 10.362 -1.472 1.00 0.00 S ATOM 804 CE MET A 52 4.653 8.634 -0.982 1.00 0.00 C ATOM 0 H MET A 52 3.094 12.988 0.957 1.00 0.00 H new ATOM 0 HA MET A 52 4.007 13.419 -1.782 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.388 12.224 -0.717 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.120 11.901 -2.275 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.098 10.845 0.410 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.239 9.934 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.572 8.215 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.676 8.565 0.106 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.798 8.075 -1.363 1.00 0.00 H new ATOM 814 N ARG A 53 2.644 15.870 -1.266 1.00 0.00 N ATOM 815 CA ARG A 53 2.091 17.134 -1.847 1.00 0.00 C ATOM 816 C ARG A 53 2.863 17.645 -3.113 1.00 0.00 C ATOM 817 O ARG A 53 2.224 17.982 -4.113 1.00 0.00 O ATOM 818 CB ARG A 53 2.074 18.202 -0.714 1.00 0.00 C ATOM 819 CG ARG A 53 1.031 18.001 0.414 1.00 0.00 C ATOM 820 CD ARG A 53 1.345 18.919 1.607 1.00 0.00 C ATOM 821 NE ARG A 53 0.245 18.852 2.607 1.00 0.00 N ATOM 822 CZ ARG A 53 0.359 19.133 3.903 1.00 0.00 C ATOM 823 NH1 ARG A 53 1.445 19.567 4.470 1.00 0.00 N ATOM 824 NH2 ARG A 53 -0.674 18.962 4.658 1.00 0.00 N ATOM 0 H ARG A 53 3.323 16.034 -0.523 1.00 0.00 H new ATOM 0 HA ARG A 53 1.083 16.936 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.065 18.233 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.901 19.178 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.031 18.215 0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.033 16.960 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.286 18.619 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.472 19.945 1.263 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.675 18.566 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.287 19.714 3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.455 19.761 5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.547 18.620 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.617 19.169 5.655 1.00 0.00 H new ATOM 838 N ASP A 54 4.200 17.717 -3.042 1.00 0.00 N ATOM 839 CA ASP A 54 5.081 18.280 -4.103 1.00 0.00 C ATOM 840 C ASP A 54 5.320 17.357 -5.360 1.00 0.00 C ATOM 841 O ASP A 54 5.340 17.871 -6.482 1.00 0.00 O ATOM 842 CB ASP A 54 6.395 18.699 -3.375 1.00 0.00 C ATOM 843 CG ASP A 54 6.296 19.882 -2.388 1.00 0.00 C ATOM 844 OD1 ASP A 54 5.572 19.774 -1.367 1.00 0.00 O ATOM 845 OD2 ASP A 54 6.951 20.920 -2.623 1.00 0.00 O ATOM 0 H ASP A 54 4.721 17.381 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 54 4.587 19.131 -4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.773 17.833 -2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.138 18.949 -4.132 1.00 0.00 H new ATOM 850 N ASP A 55 5.469 16.025 -5.194 1.00 0.00 N ATOM 851 CA ASP A 55 5.298 15.020 -6.294 1.00 0.00 C ATOM 852 C ASP A 55 4.076 14.067 -5.991 1.00 0.00 C ATOM 853 O ASP A 55 3.744 13.733 -4.843 1.00 0.00 O ATOM 854 CB ASP A 55 6.653 14.283 -6.534 1.00 0.00 C ATOM 855 CG ASP A 55 6.809 13.397 -7.784 1.00 0.00 C ATOM 856 OD1 ASP A 55 5.820 13.123 -8.494 1.00 0.00 O ATOM 857 OD2 ASP A 55 7.949 12.965 -8.057 1.00 0.00 O ATOM 0 H ASP A 55 5.711 15.604 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 55 5.045 15.513 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.438 15.039 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.847 13.659 -5.662 1.00 0.00 H new ATOM 862 N LEU A 56 3.408 13.639 -7.069 1.00 0.00 N ATOM 863 CA LEU A 56 2.259 12.692 -7.027 1.00 0.00 C ATOM 864 C LEU A 56 2.737 11.275 -7.528 1.00 0.00 C ATOM 865 O LEU A 56 3.001 11.150 -8.728 1.00 0.00 O ATOM 866 CB LEU A 56 1.106 13.274 -7.912 1.00 0.00 C ATOM 867 CG LEU A 56 -0.025 14.065 -7.201 1.00 0.00 C ATOM 868 CD1 LEU A 56 0.495 15.296 -6.435 1.00 0.00 C ATOM 869 CD2 LEU A 56 -1.074 14.505 -8.243 1.00 0.00 C ATOM 0 H LEU A 56 3.645 13.938 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 56 1.882 12.570 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.555 13.930 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.647 12.445 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.473 13.399 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.341 15.808 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.206 14.977 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.989 15.975 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.869 15.061 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.600 15.141 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.495 13.625 -8.729 1.00 0.00 H new ATOM 881 N PRO A 57 2.817 10.172 -6.711 1.00 0.00 N ATOM 882 CA PRO A 57 3.332 8.846 -7.195 1.00 0.00 C ATOM 883 C PRO A 57 2.764 8.189 -8.506 1.00 0.00 C ATOM 884 O PRO A 57 3.514 7.569 -9.268 1.00 0.00 O ATOM 885 CB PRO A 57 3.153 7.967 -5.938 1.00 0.00 C ATOM 886 CG PRO A 57 3.221 8.930 -4.745 1.00 0.00 C ATOM 887 CD PRO A 57 2.617 10.237 -5.252 1.00 0.00 C ATOM 0 HA PRO A 57 4.347 8.975 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.199 7.440 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.935 7.210 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.662 8.542 -3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.249 9.074 -4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.560 10.316 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.116 11.104 -4.818 1.00 0.00 H new ATOM 895 N GLY A 58 1.462 8.351 -8.754 1.00 0.00 N ATOM 896 CA GLY A 58 0.863 8.164 -10.104 1.00 0.00 C ATOM 897 C GLY A 58 -0.475 8.928 -10.300 1.00 0.00 C ATOM 898 O GLY A 58 -0.810 9.875 -9.576 1.00 0.00 O ATOM 0 H GLY A 58 0.785 8.614 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.576 8.497 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.693 7.101 -10.273 1.00 0.00 H new ATOM 902 N SER A 59 -1.226 8.549 -11.337 1.00 0.00 N ATOM 903 CA SER A 59 -2.218 9.465 -11.986 1.00 0.00 C ATOM 904 C SER A 59 -3.571 9.800 -11.265 1.00 0.00 C ATOM 905 O SER A 59 -4.295 10.682 -11.731 1.00 0.00 O ATOM 906 CB SER A 59 -2.454 8.977 -13.437 1.00 0.00 C ATOM 907 OG SER A 59 -2.426 10.081 -14.341 1.00 0.00 O ATOM 0 H SER A 59 -1.180 7.621 -11.757 1.00 0.00 H new ATOM 0 HA SER A 59 -1.736 10.441 -11.926 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.688 8.252 -13.713 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.415 8.467 -13.505 1.00 0.00 H new ATOM 0 HG SER A 59 -1.550 10.123 -14.779 1.00 0.00 H new ATOM 913 N ALA A 60 -3.947 9.174 -10.135 1.00 0.00 N ATOM 914 CA ALA A 60 -4.950 9.755 -9.202 1.00 0.00 C ATOM 915 C ALA A 60 -4.618 9.420 -7.715 1.00 0.00 C ATOM 916 O ALA A 60 -4.709 8.266 -7.290 1.00 0.00 O ATOM 917 CB ALA A 60 -6.369 9.315 -9.613 1.00 0.00 C ATOM 0 H ALA A 60 -3.578 8.270 -9.840 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.909 10.842 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.097 9.745 -8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.578 9.661 -10.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.437 8.228 -9.580 1.00 0.00 H new ATOM 923 N GLN A 61 -4.261 10.429 -6.897 1.00 0.00 N ATOM 924 CA GLN A 61 -3.946 10.219 -5.455 1.00 0.00 C ATOM 925 C GLN A 61 -5.243 10.076 -4.579 1.00 0.00 C ATOM 926 O GLN A 61 -5.881 11.053 -4.165 1.00 0.00 O ATOM 927 CB GLN A 61 -2.948 11.340 -5.045 1.00 0.00 C ATOM 928 CG GLN A 61 -2.458 11.239 -3.575 1.00 0.00 C ATOM 929 CD GLN A 61 -1.162 11.953 -3.223 1.00 0.00 C ATOM 930 OE1 GLN A 61 -0.196 11.323 -2.828 1.00 0.00 O ATOM 931 NE2 GLN A 61 -1.100 13.253 -3.275 1.00 0.00 N ATOM 0 H GLN A 61 -4.181 11.399 -7.202 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.456 9.263 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.084 11.305 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.424 12.309 -5.193 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.245 11.629 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.339 10.183 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.903 13.789 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.248 13.735 -2.987 1.00 0.00 H new ATOM 940 N ILE A 62 -5.628 8.819 -4.315 1.00 0.00 N ATOM 941 CA ILE A 62 -6.802 8.437 -3.482 1.00 0.00 C ATOM 942 C ILE A 62 -6.334 8.456 -1.978 1.00 0.00 C ATOM 943 O ILE A 62 -5.458 7.688 -1.572 1.00 0.00 O ATOM 944 CB ILE A 62 -7.397 7.046 -3.951 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.764 6.950 -5.470 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.623 6.635 -3.090 1.00 0.00 C ATOM 947 CD1 ILE A 62 -8.047 5.528 -6.012 1.00 0.00 C ATOM 0 H ILE A 62 -5.125 8.010 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.624 9.143 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.576 6.346 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.644 7.568 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.947 7.382 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.007 5.676 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.322 6.548 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.402 7.392 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.290 5.585 -7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.164 4.904 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.887 5.093 -5.470 1.00 0.00 H new ATOM 959 N VAL A 63 -6.907 9.343 -1.148 1.00 0.00 N ATOM 960 CA VAL A 63 -6.403 9.630 0.230 1.00 0.00 C ATOM 961 C VAL A 63 -7.516 9.365 1.307 1.00 0.00 C ATOM 962 O VAL A 63 -8.495 10.109 1.437 1.00 0.00 O ATOM 963 CB VAL A 63 -5.742 11.055 0.322 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.607 12.245 -0.152 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.240 11.393 1.747 1.00 0.00 C ATOM 0 H VAL A 63 -7.732 9.887 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.600 8.930 0.458 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.914 10.951 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.044 13.171 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.874 12.106 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.515 12.297 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.794 12.388 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.078 11.370 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.494 10.660 2.053 1.00 0.00 H new ATOM 975 N MET A 64 -7.313 8.347 2.154 1.00 0.00 N ATOM 976 CA MET A 64 -8.224 8.009 3.280 1.00 0.00 C ATOM 977 C MET A 64 -8.190 9.000 4.493 1.00 0.00 C ATOM 978 O MET A 64 -7.158 9.171 5.154 1.00 0.00 O ATOM 979 CB MET A 64 -7.851 6.571 3.728 1.00 0.00 C ATOM 980 CG MET A 64 -8.777 5.498 3.153 1.00 0.00 C ATOM 981 SD MET A 64 -10.404 5.694 3.900 1.00 0.00 S ATOM 982 CE MET A 64 -11.244 4.336 3.096 1.00 0.00 C ATOM 0 H MET A 64 -6.508 7.724 2.085 1.00 0.00 H new ATOM 0 HA MET A 64 -9.250 8.088 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.826 6.358 3.424 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.878 6.519 4.816 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.843 5.595 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.381 4.504 3.361 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.872 3.817 3.820 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.865 4.720 2.287 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.508 3.642 2.690 1.00 0.00 H new ATOM 992 N SER A 65 -9.339 9.622 4.814 1.00 0.00 N ATOM 993 CA SER A 65 -9.457 10.582 5.944 1.00 0.00 C ATOM 994 C SER A 65 -10.895 10.574 6.554 1.00 0.00 C ATOM 995 O SER A 65 -11.840 11.082 5.944 1.00 0.00 O ATOM 996 CB SER A 65 -9.015 11.989 5.439 1.00 0.00 C ATOM 997 OG SER A 65 -9.352 13.055 6.339 1.00 0.00 O ATOM 0 H SER A 65 -10.211 9.479 4.305 1.00 0.00 H new ATOM 0 HA SER A 65 -8.800 10.285 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.937 11.986 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.479 12.181 4.472 1.00 0.00 H new ATOM 0 HG SER A 65 -9.047 13.908 5.965 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.636 17.532 -0.734 1.00 0.00 N ATOM 1089 CA PHE A 71 -8.314 18.217 -0.848 1.00 0.00 C ATOM 1090 C PHE A 71 -8.188 18.887 -2.248 1.00 0.00 C ATOM 1091 O PHE A 71 -8.255 18.211 -3.278 1.00 0.00 O ATOM 1092 CB PHE A 71 -7.170 17.196 -0.593 1.00 0.00 C ATOM 1093 CG PHE A 71 -7.064 16.641 0.842 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.344 17.327 1.824 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.647 15.411 1.158 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -6.184 16.776 3.096 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.499 14.864 2.430 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.767 15.547 3.397 1.00 0.00 C ATOM 0 HA PHE A 71 -8.236 19.001 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.300 16.357 -1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.223 17.671 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.909 18.289 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.217 14.880 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.610 17.301 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.951 13.912 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.651 15.123 4.383 1.00 0.00 H new ATOM 1108 N SER A 72 -7.974 20.211 -2.276 1.00 0.00 N ATOM 1109 CA SER A 72 -7.611 20.935 -3.527 1.00 0.00 C ATOM 1110 C SER A 72 -6.129 20.671 -3.974 1.00 0.00 C ATOM 1111 O SER A 72 -5.196 21.358 -3.550 1.00 0.00 O ATOM 1112 CB SER A 72 -7.923 22.433 -3.300 1.00 0.00 C ATOM 1113 OG SER A 72 -7.576 23.205 -4.451 1.00 0.00 O ATOM 0 H SER A 72 -8.043 20.811 -1.454 1.00 0.00 H new ATOM 0 HA SER A 72 -8.204 20.561 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.983 22.559 -3.079 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.371 22.796 -2.433 1.00 0.00 H new ATOM 0 HG SER A 72 -7.783 24.149 -4.286 1.00 0.00 H new ATOM 1119 N VAL A 73 -5.947 19.667 -4.839 1.00 0.00 N ATOM 1120 CA VAL A 73 -4.666 19.430 -5.593 1.00 0.00 C ATOM 1121 C VAL A 73 -5.064 19.351 -7.126 1.00 0.00 C ATOM 1122 O VAL A 73 -6.064 19.954 -7.549 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.857 18.214 -4.963 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.392 18.095 -5.468 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -3.738 18.187 -3.416 1.00 0.00 C ATOM 0 H VAL A 73 -6.673 18.983 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.938 20.236 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.485 17.390 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.911 17.242 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.390 17.955 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.846 19.005 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.165 17.311 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.231 19.090 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.734 18.141 -2.975 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.335 18.615 -7.970 1.00 0.00 N ATOM 1136 CA ASP A 74 -4.640 18.502 -9.427 1.00 0.00 C ATOM 1137 C ASP A 74 -5.669 17.350 -9.721 1.00 0.00 C ATOM 1138 O ASP A 74 -6.815 17.617 -10.098 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.282 18.420 -10.185 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.466 19.714 -10.171 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -1.859 20.014 -9.121 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.450 20.440 -11.188 1.00 0.00 O ATOM 0 H ASP A 74 -3.518 18.078 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.163 19.382 -9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.683 17.623 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.475 18.139 -11.220 1.00 0.00 H new ATOM 1147 N THR A 75 -5.302 16.079 -9.485 1.00 0.00 N ATOM 1148 CA THR A 75 -6.237 14.900 -9.576 1.00 0.00 C ATOM 1149 C THR A 75 -6.252 14.007 -8.277 1.00 0.00 C ATOM 1150 O THR A 75 -6.207 12.773 -8.315 1.00 0.00 O ATOM 1151 CB THR A 75 -6.014 14.163 -10.936 1.00 0.00 C ATOM 1152 OG1 THR A 75 -6.855 13.020 -11.059 1.00 0.00 O ATOM 1153 CG2 THR A 75 -4.585 13.683 -11.223 1.00 0.00 C ATOM 0 H THR A 75 -4.351 15.820 -9.224 1.00 0.00 H new ATOM 0 HA THR A 75 -7.269 15.251 -9.595 1.00 0.00 H new ATOM 0 HB THR A 75 -6.254 14.943 -11.659 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.864 12.528 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.556 13.188 -12.193 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.909 14.538 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.274 12.982 -10.448 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.423 14.636 -7.097 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.514 13.912 -5.802 1.00 0.00 C ATOM 1163 C ALA A 76 -7.987 13.779 -5.288 1.00 0.00 C ATOM 1164 O ALA A 76 -8.747 14.756 -5.236 1.00 0.00 O ATOM 1165 CB ALA A 76 -5.593 14.650 -4.814 1.00 0.00 C ATOM 0 H ALA A 76 -6.502 15.649 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.185 12.879 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.627 14.153 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.571 14.639 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.929 15.681 -4.705 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.405 12.560 -4.907 1.00 0.00 N ATOM 1172 CA HIS A 77 -9.764 12.303 -4.340 1.00 0.00 C ATOM 1173 C HIS A 77 -9.666 11.767 -2.866 1.00 0.00 C ATOM 1174 O HIS A 77 -8.766 11.005 -2.518 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.520 11.302 -5.261 1.00 0.00 C ATOM 1176 CG HIS A 77 -11.028 11.812 -6.619 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.373 11.810 -6.965 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.248 12.080 -7.768 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.302 12.051 -8.314 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -11.072 12.251 -8.879 1.00 0.00 N ATOM 0 H HIS A 77 -7.825 11.724 -4.977 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.323 13.238 -4.302 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.859 10.456 -5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.377 10.920 -4.706 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.170 12.143 -7.782 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.198 12.082 -8.917 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.826 12.466 -9.845 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.611 12.147 -1.996 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.712 11.607 -0.604 1.00 0.00 C ATOM 1191 C ARG A 78 -11.559 10.280 -0.539 1.00 0.00 C ATOM 1192 O ARG A 78 -12.565 10.148 -1.239 1.00 0.00 O ATOM 1193 CB ARG A 78 -11.281 12.801 0.236 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.985 12.496 1.593 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.182 13.405 1.967 1.00 0.00 C ATOM 1196 NE ARG A 78 -14.234 13.626 0.914 1.00 0.00 N ATOM 1197 CZ ARG A 78 -15.094 12.708 0.470 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -14.912 11.441 0.619 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -16.174 13.081 -0.131 1.00 0.00 N ATOM 0 H ARG A 78 -11.331 12.833 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.753 11.284 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.457 13.485 0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.993 13.337 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.333 11.463 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.242 12.566 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.668 12.980 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.788 14.378 2.260 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.295 14.558 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.078 11.098 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.602 10.781 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.366 14.074 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.835 12.383 -0.472 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.204 9.357 0.372 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.055 8.184 0.733 1.00 0.00 C ATOM 1215 C ALA A 79 -12.383 8.079 2.269 1.00 0.00 C ATOM 1216 O ALA A 79 -11.673 8.634 3.123 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.321 6.949 0.173 1.00 0.00 C ATOM 0 H ALA A 79 -10.323 9.393 0.884 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.048 8.281 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.893 6.050 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.218 7.046 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.333 6.876 0.627 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.471 7.371 2.621 1.00 0.00 N ATOM 1224 CA ALA A 80 -13.905 7.158 4.037 1.00 0.00 C ATOM 1225 C ALA A 80 -14.178 5.677 4.460 1.00 0.00 C ATOM 1226 O ALA A 80 -13.700 5.267 5.519 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.153 8.032 4.262 1.00 0.00 C ATOM 0 H ALA A 80 -14.084 6.924 1.939 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.068 7.443 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.505 7.907 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.900 9.078 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -15.938 7.730 3.569 1.00 0.00 H new ATOM 1233 N SER A 81 -14.958 4.895 3.692 1.00 0.00 N ATOM 1234 CA SER A 81 -15.049 3.413 3.847 1.00 0.00 C ATOM 1235 C SER A 81 -14.317 2.646 2.691 1.00 0.00 C ATOM 1236 O SER A 81 -13.812 3.240 1.733 1.00 0.00 O ATOM 1237 CB SER A 81 -16.553 3.032 3.971 1.00 0.00 C ATOM 1238 OG SER A 81 -17.291 3.265 2.765 1.00 0.00 O ATOM 0 H SER A 81 -15.546 5.262 2.944 1.00 0.00 H new ATOM 0 HA SER A 81 -14.527 3.105 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.634 1.979 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.002 3.606 4.782 1.00 0.00 H new ATOM 0 HG SER A 81 -18.227 3.007 2.899 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.313 1.303 2.748 1.00 0.00 N ATOM 1245 CA VAL A 82 -13.993 0.429 1.564 1.00 0.00 C ATOM 1246 C VAL A 82 -14.705 0.877 0.222 1.00 0.00 C ATOM 1247 O VAL A 82 -14.011 1.177 -0.751 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.256 -1.068 1.979 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -14.057 -2.093 0.831 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.407 -1.598 3.168 1.00 0.00 C ATOM 0 H VAL A 82 -14.526 0.780 3.597 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.940 0.540 1.307 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.303 -1.004 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.258 -3.098 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.743 -1.863 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.031 -2.039 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.669 -2.637 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.348 -1.533 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.607 -0.996 4.055 1.00 0.00 H new ATOM 1260 N GLU A 83 -16.047 0.999 0.200 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.821 1.393 -1.019 1.00 0.00 C ATOM 1262 C GLU A 83 -16.727 2.851 -1.582 1.00 0.00 C ATOM 1263 O GLU A 83 -16.878 3.004 -2.799 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.283 0.948 -0.790 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.469 -0.603 -0.786 1.00 0.00 C ATOM 1266 CD GLU A 83 -18.955 -1.243 0.508 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -18.631 -0.748 1.614 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.610 -2.300 0.415 1.00 0.00 O ATOM 0 H GLU A 83 -16.633 0.830 1.017 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.320 0.877 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.632 1.350 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.912 1.379 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.175 -0.861 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.515 -1.058 -1.050 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.374 3.898 -0.803 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.897 5.190 -1.398 1.00 0.00 C ATOM 1277 C GLU A 84 -14.669 5.043 -2.371 1.00 0.00 C ATOM 1278 O GLU A 84 -14.730 5.507 -3.503 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.681 6.314 -0.334 1.00 0.00 C ATOM 1280 CG GLU A 84 -16.804 7.395 -0.309 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.526 8.699 0.418 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -15.757 8.715 1.393 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -17.029 9.759 -0.013 1.00 0.00 O ATOM 0 H GLU A 84 -16.405 3.887 0.216 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.724 5.514 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.611 5.856 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.726 6.803 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.057 7.636 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.690 6.945 0.140 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.585 4.366 -1.952 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.475 3.993 -2.868 1.00 0.00 C ATOM 1292 C ALA A 85 -12.739 2.910 -3.982 1.00 0.00 C ATOM 1293 O ALA A 85 -12.083 2.992 -5.027 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.270 3.718 -1.950 1.00 0.00 C ATOM 0 H ALA A 85 -13.447 4.063 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.297 4.824 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.409 3.436 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.034 4.617 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.513 2.907 -1.264 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.683 1.959 -3.841 1.00 0.00 N ATOM 1301 CA VAL A 86 -14.120 1.072 -4.974 1.00 0.00 C ATOM 1302 C VAL A 86 -14.910 1.828 -6.102 1.00 0.00 C ATOM 1303 O VAL A 86 -14.515 1.715 -7.269 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.787 -0.265 -4.488 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -15.193 -1.208 -5.651 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.845 -1.091 -3.577 1.00 0.00 C ATOM 0 H VAL A 86 -14.166 1.774 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.203 0.755 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.673 0.068 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.647 -2.112 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.909 -0.701 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.308 -1.475 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.350 -2.006 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.938 -1.345 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.583 -0.504 -2.697 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.966 2.605 -5.804 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.723 3.385 -6.831 1.00 0.00 C ATOM 1318 C ASP A 87 -15.899 4.437 -7.670 1.00 0.00 C ATOM 1319 O ASP A 87 -16.096 4.549 -8.887 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.976 4.010 -6.154 1.00 0.00 C ATOM 1321 CG ASP A 87 -19.146 3.066 -5.859 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -19.561 2.315 -6.766 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -19.692 3.114 -4.738 1.00 0.00 O ATOM 0 H ASP A 87 -16.326 2.718 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.014 2.671 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.663 4.466 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.341 4.814 -6.793 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.937 5.194 -7.087 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.891 5.938 -7.865 1.00 0.00 C ATOM 1330 C ILE A 88 -12.830 5.057 -8.622 1.00 0.00 C ATOM 1331 O ILE A 88 -12.481 5.433 -9.732 1.00 0.00 O ATOM 1332 CB ILE A 88 -13.202 7.128 -7.079 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.876 6.810 -5.598 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -14.047 8.421 -7.158 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.704 7.557 -4.950 1.00 0.00 C ATOM 0 H ILE A 88 -14.856 5.311 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.499 6.386 -8.651 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.248 7.277 -7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.770 7.011 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.676 5.741 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.546 9.218 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.163 8.717 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.029 8.241 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.594 7.233 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.787 7.340 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.897 8.629 -4.976 1.00 0.00 H new ATOM 1347 N ALA A 89 -12.337 3.911 -8.106 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.541 2.953 -8.927 1.00 0.00 C ATOM 1349 C ALA A 89 -12.274 2.325 -10.180 1.00 0.00 C ATOM 1350 O ALA A 89 -11.719 2.322 -11.278 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.949 1.903 -7.968 1.00 0.00 C ATOM 0 H ALA A 89 -12.470 3.622 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.749 3.517 -9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.359 1.184 -8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.312 2.398 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.757 1.383 -7.453 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.541 1.883 -10.039 1.00 0.00 N ATOM 1358 CA ALA A 90 -14.447 1.589 -11.189 1.00 0.00 C ATOM 1359 C ALA A 90 -14.885 2.783 -12.123 1.00 0.00 C ATOM 1360 O ALA A 90 -15.148 2.569 -13.310 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.650 0.816 -10.608 1.00 0.00 C ATOM 0 H ALA A 90 -13.972 1.717 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.867 1.006 -11.904 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.348 0.574 -11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.300 -0.105 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.153 1.432 -9.862 1.00 0.00 H new ATOM 1367 N SER A 91 -14.972 4.028 -11.617 1.00 0.00 N ATOM 1368 CA SER A 91 -15.083 5.259 -12.467 1.00 0.00 C ATOM 1369 C SER A 91 -13.786 5.724 -13.224 1.00 0.00 C ATOM 1370 O SER A 91 -13.880 6.388 -14.264 1.00 0.00 O ATOM 1371 CB SER A 91 -15.642 6.420 -11.607 1.00 0.00 C ATOM 1372 OG SER A 91 -16.920 6.123 -11.048 1.00 0.00 O ATOM 0 H SER A 91 -14.969 4.223 -10.616 1.00 0.00 H new ATOM 0 HA SER A 91 -15.760 4.976 -13.273 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.941 6.642 -10.803 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.718 7.318 -12.220 1.00 0.00 H new ATOM 0 HG SER A 91 -16.808 5.545 -10.265 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.587 5.431 -12.693 1.00 0.00 N ATOM 1379 CA LEU A 92 -11.281 5.686 -13.370 1.00 0.00 C ATOM 1380 C LEU A 92 -10.770 4.585 -14.388 1.00 0.00 C ATOM 1381 O LEU A 92 -9.915 4.924 -15.202 1.00 0.00 O ATOM 1382 CB LEU A 92 -10.249 6.023 -12.246 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.422 7.423 -11.562 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.755 7.465 -10.170 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.802 8.540 -12.419 1.00 0.00 C ATOM 0 H LEU A 92 -12.484 5.005 -11.772 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.420 6.524 -14.053 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.313 5.253 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.246 5.968 -12.670 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.495 7.582 -11.458 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.897 8.451 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.208 6.711 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.689 7.262 -10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.937 9.499 -11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.738 8.347 -12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.291 8.566 -13.393 1.00 0.00 H new ATOM 1397 N ASP A 93 -11.276 3.321 -14.364 1.00 0.00 N ATOM 1398 CA ASP A 93 -11.053 2.295 -15.449 1.00 0.00 C ATOM 1399 C ASP A 93 -9.683 1.505 -15.438 1.00 0.00 C ATOM 1400 O ASP A 93 -9.658 0.307 -15.714 1.00 0.00 O ATOM 1401 CB ASP A 93 -11.511 2.816 -16.854 1.00 0.00 C ATOM 1402 CG ASP A 93 -12.371 1.886 -17.715 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -13.242 1.173 -17.179 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -12.217 1.905 -18.953 1.00 0.00 O ATOM 0 H ASP A 93 -11.851 2.974 -13.596 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.728 1.483 -15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.067 3.742 -16.703 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.618 3.070 -17.425 1.00 0.00 H new ATOM 1409 N ALA A 94 -8.574 2.182 -15.073 1.00 0.00 N ATOM 1410 CA ALA A 94 -7.267 1.620 -14.592 1.00 0.00 C ATOM 1411 C ALA A 94 -6.975 0.077 -14.459 1.00 0.00 C ATOM 1412 O ALA A 94 -7.836 -0.673 -13.990 1.00 0.00 O ATOM 1413 CB ALA A 94 -7.141 2.271 -13.194 1.00 0.00 C ATOM 0 H ALA A 94 -8.552 3.201 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.551 1.838 -15.384 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.216 1.942 -12.721 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.130 3.356 -13.298 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.989 1.974 -12.577 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.748 -0.405 -14.764 1.00 0.00 N ATOM 1420 CA GLU A 95 -5.331 -1.823 -14.493 1.00 0.00 C ATOM 1421 C GLU A 95 -5.532 -2.348 -13.021 1.00 0.00 C ATOM 1422 O GLU A 95 -6.239 -3.352 -12.840 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.878 -2.094 -14.971 1.00 0.00 C ATOM 1424 CG GLU A 95 -3.576 -1.998 -16.493 1.00 0.00 C ATOM 1425 CD GLU A 95 -2.391 -2.827 -16.988 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -1.372 -2.958 -16.277 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -2.485 -3.365 -18.110 1.00 0.00 O ATOM 0 H GLU A 95 -5.019 0.160 -15.200 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.037 -2.403 -15.087 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.222 -1.392 -14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.599 -3.094 -14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.466 -2.307 -17.041 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.394 -0.953 -16.743 1.00 0.00 H new ATOM 1434 N THR A 96 -4.990 -1.683 -11.986 1.00 0.00 N ATOM 1435 CA THR A 96 -5.230 -2.059 -10.558 1.00 0.00 C ATOM 1436 C THR A 96 -4.933 -0.893 -9.562 1.00 0.00 C ATOM 1437 O THR A 96 -3.838 -0.331 -9.547 1.00 0.00 O ATOM 1438 CB THR A 96 -4.563 -3.418 -10.153 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.782 -3.700 -8.771 1.00 0.00 O ATOM 1440 CG2 THR A 96 -3.060 -3.618 -10.396 1.00 0.00 C ATOM 0 H THR A 96 -4.377 -0.876 -12.100 1.00 0.00 H new ATOM 0 HA THR A 96 -6.302 -2.239 -10.477 1.00 0.00 H new ATOM 0 HB THR A 96 -5.064 -4.095 -10.845 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.692 -3.434 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.766 -4.612 -10.058 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.847 -3.519 -11.460 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.499 -2.866 -9.842 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.901 -0.571 -8.682 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.669 0.356 -7.543 1.00 0.00 C ATOM 1450 C ALA A 97 -4.853 -0.312 -6.391 1.00 0.00 C ATOM 1451 O ALA A 97 -5.018 -1.499 -6.085 1.00 0.00 O ATOM 1452 CB ALA A 97 -7.060 0.807 -7.062 1.00 0.00 C ATOM 0 H ALA A 97 -6.852 -0.936 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.066 1.207 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.950 1.493 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.581 1.311 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.636 -0.063 -6.747 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.967 0.453 -5.744 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.898 -0.152 -4.891 1.00 0.00 C ATOM 1460 C TYR A 98 -2.693 0.572 -3.528 1.00 0.00 C ATOM 1461 O TYR A 98 -2.546 1.797 -3.451 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.568 -0.405 -5.668 1.00 0.00 C ATOM 1463 CG TYR A 98 -1.219 0.445 -6.901 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -1.155 1.830 -6.827 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -1.075 -0.179 -8.152 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.963 2.599 -7.967 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.852 0.594 -9.291 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.821 1.973 -9.208 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.576 2.755 -10.301 1.00 0.00 O ATOM 0 H TYR A 98 -3.954 1.472 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.273 -1.139 -4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.751 -0.292 -4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.572 -1.448 -5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.256 2.317 -5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.137 -1.254 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.924 3.676 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.702 0.111 -10.245 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.860 3.674 -10.116 1.00 0.00 H new ATOM 1479 N VAL A 99 -2.697 -0.212 -2.441 1.00 0.00 N ATOM 1480 CA VAL A 99 -2.852 0.311 -1.051 1.00 0.00 C ATOM 1481 C VAL A 99 -1.462 0.418 -0.341 1.00 0.00 C ATOM 1482 O VAL A 99 -0.939 -0.578 0.162 1.00 0.00 O ATOM 1483 CB VAL A 99 -3.926 -0.537 -0.279 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.177 -0.031 1.161 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.312 -0.592 -0.976 1.00 0.00 C ATOM 0 H VAL A 99 -2.594 -1.226 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.235 1.331 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.481 -1.532 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.928 -0.658 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.248 -0.077 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.531 0.999 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.996 -1.196 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.711 0.418 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.204 -1.036 -1.966 1.00 0.00 H new ATOM 1495 N ILE A 100 -0.912 1.635 -0.240 1.00 0.00 N ATOM 1496 CA ILE A 100 0.317 1.938 0.568 1.00 0.00 C ATOM 1497 C ILE A 100 0.099 1.680 2.118 1.00 0.00 C ATOM 1498 O ILE A 100 0.742 0.820 2.717 1.00 0.00 O ATOM 1499 CB ILE A 100 0.807 3.412 0.285 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.890 3.946 -1.184 1.00 0.00 C ATOM 1501 CG2 ILE A 100 2.145 3.752 0.995 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.748 3.190 -2.215 1.00 0.00 C ATOM 0 H ILE A 100 -1.295 2.454 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 100 1.100 1.248 0.253 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.047 3.939 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.127 3.990 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.259 4.971 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.430 4.778 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.022 3.645 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.924 3.072 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.691 3.698 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.784 3.166 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.377 2.171 -2.320 1.00 0.00 H new ATOM 1514 N GLY A 101 -0.804 2.460 2.750 1.00 0.00 N ATOM 1515 CA GLY A 101 -0.914 2.582 4.229 1.00 0.00 C ATOM 1516 C GLY A 101 -0.048 3.679 4.918 1.00 0.00 C ATOM 1517 O GLY A 101 0.610 4.486 4.260 1.00 0.00 O ATOM 0 H GLY A 101 -1.485 3.030 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.959 2.771 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.652 1.619 4.668 1.00 0.00 H new ATOM 1521 N GLY A 102 0.010 3.821 6.245 1.00 0.00 N ATOM 1522 CA GLY A 102 -1.135 3.525 7.157 1.00 0.00 C ATOM 1523 C GLY A 102 -1.540 2.067 7.502 1.00 0.00 C ATOM 1524 O GLY A 102 -2.319 1.472 6.761 1.00 0.00 O ATOM 0 H GLY A 102 0.846 4.144 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.926 4.028 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.014 4.005 6.728 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.171 1.554 8.690 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.751 0.290 9.256 1.00 0.00 C ATOM 1530 C ALA A 103 -3.317 0.154 9.292 1.00 0.00 C ATOM 1531 O ALA A 103 -3.867 -0.753 8.667 1.00 0.00 O ATOM 1532 CB ALA A 103 -1.158 0.143 10.663 1.00 0.00 C ATOM 0 H ALA A 103 -0.470 1.988 9.291 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.479 -0.513 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.545 -0.764 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.072 0.081 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.435 1.007 11.267 1.00 0.00 H new ATOM 1538 N ALA A 104 -4.033 1.076 9.966 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.522 1.170 9.900 1.00 0.00 C ATOM 1540 C ALA A 104 -6.208 1.377 8.502 1.00 0.00 C ATOM 1541 O ALA A 104 -7.398 1.098 8.343 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.889 2.280 10.904 1.00 0.00 C ATOM 0 H ALA A 104 -3.607 1.778 10.571 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.924 0.186 10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.971 2.415 10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.545 1.999 11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.411 3.213 10.605 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.447 1.837 7.495 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.845 1.787 6.055 1.00 0.00 C ATOM 1550 C ILE A 105 -5.671 0.354 5.423 1.00 0.00 C ATOM 1551 O ILE A 105 -6.604 -0.139 4.791 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.147 2.942 5.249 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.199 4.377 5.876 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.631 2.998 3.775 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.532 4.811 6.521 1.00 0.00 C ATOM 0 H ILE A 105 -4.531 2.259 7.645 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.917 1.971 5.990 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.097 2.653 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.418 4.444 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.950 5.097 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.123 3.811 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.403 2.053 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.707 3.170 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.433 5.822 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.323 4.790 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.783 4.128 7.332 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.510 -0.312 5.619 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.332 -1.776 5.364 1.00 0.00 C ATOM 1569 C TYR A 106 -5.429 -2.722 5.997 1.00 0.00 C ATOM 1570 O TYR A 106 -6.003 -3.545 5.282 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.870 -2.141 5.807 1.00 0.00 C ATOM 1572 CG TYR A 106 -1.997 -2.879 4.780 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.256 -2.150 3.839 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.845 -4.272 4.836 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.375 -2.796 2.977 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -0.980 -4.921 3.955 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.250 -4.184 3.030 1.00 0.00 C ATOM 1578 OH TYR A 106 0.541 -4.838 2.128 1.00 0.00 O ATOM 0 H TYR A 106 -3.663 0.144 5.959 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.479 -1.960 4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.360 -1.219 6.086 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.931 -2.756 6.705 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.370 -1.078 3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.400 -4.845 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.209 -2.225 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.878 -5.996 3.992 1.00 0.00 H new ATOM 0 HH TYR A 106 0.490 -5.804 2.288 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.756 -2.564 7.297 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.831 -3.311 8.019 1.00 0.00 C ATOM 1590 C ALA A 107 -8.239 -3.442 7.345 1.00 0.00 C ATOM 1591 O ALA A 107 -8.714 -4.554 7.110 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.944 -2.607 9.387 1.00 0.00 C ATOM 0 H ALA A 107 -5.272 -1.897 7.898 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.528 -4.357 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.715 -3.094 9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.988 -2.668 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.209 -1.560 9.237 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.889 -2.311 7.008 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.173 -2.313 6.255 1.00 0.00 C ATOM 1600 C LEU A 108 -10.124 -2.859 4.785 1.00 0.00 C ATOM 1601 O LEU A 108 -11.109 -3.461 4.347 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.873 -0.926 6.453 1.00 0.00 C ATOM 1603 CG LEU A 108 -10.190 0.373 5.926 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -10.408 0.610 4.422 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -10.717 1.621 6.655 1.00 0.00 C ATOM 0 H LEU A 108 -8.550 -1.378 7.243 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.811 -3.082 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.855 -0.989 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.037 -0.795 7.523 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.128 0.221 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.906 1.530 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.997 -0.228 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.475 0.696 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.220 2.508 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.792 1.708 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.513 1.532 7.722 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.022 -2.670 4.044 1.00 0.00 N ATOM 1618 CA PHE A 109 -8.853 -3.203 2.666 1.00 0.00 C ATOM 1619 C PHE A 109 -8.433 -4.704 2.524 1.00 0.00 C ATOM 1620 O PHE A 109 -8.893 -5.331 1.569 1.00 0.00 O ATOM 1621 CB PHE A 109 -7.910 -2.225 1.900 1.00 0.00 C ATOM 1622 CG PHE A 109 -8.652 -1.143 1.109 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.485 -1.520 0.051 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -8.587 0.199 1.493 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.337 -0.594 -0.533 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -9.427 1.131 0.895 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.323 0.723 -0.092 1.00 0.00 C ATOM 0 H PHE A 109 -8.215 -2.142 4.377 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.845 -3.238 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.241 -1.745 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.286 -2.799 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.465 -2.537 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.886 0.511 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.007 -0.895 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -9.386 2.168 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.012 1.437 -0.517 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.612 -5.277 3.427 1.00 0.00 N ATOM 1638 CA GLN A 110 -7.127 -6.687 3.323 1.00 0.00 C ATOM 1639 C GLN A 110 -8.171 -7.877 3.146 1.00 0.00 C ATOM 1640 O GLN A 110 -7.872 -8.759 2.329 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.939 -6.906 4.300 1.00 0.00 C ATOM 1642 CG GLN A 110 -6.228 -6.937 5.823 1.00 0.00 C ATOM 1643 CD GLN A 110 -6.567 -8.315 6.416 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -6.055 -9.353 6.003 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -7.376 -8.371 7.443 1.00 0.00 N ATOM 0 H GLN A 110 -7.262 -4.786 4.250 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.753 -6.783 2.304 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.461 -7.849 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.210 -6.117 4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.357 -6.542 6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -7.057 -6.260 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -7.809 -7.519 7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -7.573 -9.267 7.888 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.430 -7.903 3.687 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.524 -8.779 3.164 1.00 0.00 C ATOM 1656 C PRO A 111 -10.983 -8.647 1.674 1.00 0.00 C ATOM 1657 O PRO A 111 -11.494 -9.619 1.114 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.675 -8.465 4.130 1.00 0.00 C ATOM 1659 CG PRO A 111 -10.952 -8.139 5.436 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.791 -7.258 4.962 1.00 0.00 C ATOM 0 HA PRO A 111 -10.158 -9.805 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.276 -7.625 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -12.349 -9.314 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.600 -7.614 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -10.599 -9.039 5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.094 -6.220 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.962 -7.257 5.670 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.894 -7.448 1.086 1.00 0.00 N ATOM 1669 CA HIS A 112 -11.416 -7.131 -0.279 1.00 0.00 C ATOM 1670 C HIS A 112 -10.362 -7.013 -1.446 1.00 0.00 C ATOM 1671 O HIS A 112 -10.763 -7.015 -2.611 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.280 -5.850 -0.066 1.00 0.00 C ATOM 1673 CG HIS A 112 -13.317 -5.541 -1.146 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.682 -5.708 -0.957 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -13.074 -5.018 -2.428 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -15.164 -5.279 -2.168 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -14.271 -4.844 -3.110 1.00 0.00 N ATOM 0 H HIS A 112 -10.453 -6.648 1.540 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.989 -7.976 -0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.798 -5.943 0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.609 -4.995 0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.097 -4.785 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -16.224 -5.284 -2.373 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.438 -4.490 -4.052 1.00 0.00 H new ATOM 1686 N LEU A 113 -9.054 -6.872 -1.170 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.974 -7.174 -2.161 1.00 0.00 C ATOM 1688 C LEU A 113 -7.672 -8.699 -2.273 1.00 0.00 C ATOM 1689 O LEU A 113 -7.547 -9.397 -1.266 1.00 0.00 O ATOM 1690 CB LEU A 113 -6.649 -6.400 -1.885 1.00 0.00 C ATOM 1691 CG LEU A 113 -6.144 -6.220 -0.429 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -4.761 -6.835 -0.195 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -6.072 -4.729 -0.103 1.00 0.00 C ATOM 0 H LEU A 113 -8.705 -6.550 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.374 -6.826 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.858 -6.902 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.760 -5.405 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.851 -6.739 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.463 -6.676 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.799 -7.904 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.036 -6.362 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.718 -4.597 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.384 -4.239 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.063 -4.286 -0.204 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.466 -9.152 -3.517 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.084 -10.566 -3.819 1.00 0.00 C ATOM 1707 C ASP A 114 -5.618 -10.769 -4.403 1.00 0.00 C ATOM 1708 O ASP A 114 -5.289 -11.822 -4.948 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.259 -11.199 -4.621 1.00 0.00 C ATOM 1710 CG ASP A 114 -9.642 -11.277 -3.937 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -9.730 -11.696 -2.757 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.649 -10.916 -4.582 1.00 0.00 O ATOM 0 H ASP A 114 -7.555 -8.565 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.963 -11.127 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.375 -10.634 -5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -7.966 -12.211 -4.900 1.00 0.00 H new ATOM 1717 N ARG A 115 -4.706 -9.795 -4.187 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.226 -9.976 -4.232 1.00 0.00 C ATOM 1719 C ARG A 115 -2.524 -9.130 -3.100 1.00 0.00 C ATOM 1720 O ARG A 115 -3.044 -8.104 -2.646 1.00 0.00 O ATOM 1721 CB ARG A 115 -2.672 -9.531 -5.616 1.00 0.00 C ATOM 1722 CG ARG A 115 -2.772 -10.567 -6.744 1.00 0.00 C ATOM 1723 CD ARG A 115 -2.051 -10.089 -8.024 1.00 0.00 C ATOM 1724 NE ARG A 115 -1.805 -11.241 -8.934 1.00 0.00 N ATOM 1725 CZ ARG A 115 -0.810 -12.123 -8.807 1.00 0.00 C ATOM 1726 NH1 ARG A 115 0.252 -11.940 -8.085 1.00 0.00 N ATOM 1727 NH2 ARG A 115 -0.879 -13.240 -9.444 1.00 0.00 N ATOM 0 H ARG A 115 -4.979 -8.836 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.012 -11.033 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.205 -8.632 -5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.625 -9.255 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.337 -11.510 -6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.821 -10.761 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.655 -9.337 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.105 -9.614 -7.762 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.447 -11.367 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.370 -11.072 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.969 -12.664 -8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.685 -13.441 -10.035 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -0.127 -13.924 -9.357 1.00 0.00 H new ATOM 1741 N MET A 116 -1.286 -9.488 -2.701 1.00 0.00 N ATOM 1742 CA MET A 116 -0.399 -8.597 -1.877 1.00 0.00 C ATOM 1743 C MET A 116 1.029 -8.501 -2.511 1.00 0.00 C ATOM 1744 O MET A 116 1.550 -9.501 -3.009 1.00 0.00 O ATOM 1745 CB MET A 116 -0.308 -9.093 -0.400 1.00 0.00 C ATOM 1746 CG MET A 116 -0.280 -7.965 0.657 1.00 0.00 C ATOM 1747 SD MET A 116 0.966 -8.258 1.926 1.00 0.00 S ATOM 1748 CE MET A 116 0.146 -9.394 3.055 1.00 0.00 C ATOM 0 H MET A 116 -0.864 -10.388 -2.930 1.00 0.00 H new ATOM 0 HA MET A 116 -0.845 -7.602 -1.869 1.00 0.00 H new ATOM 0 HB2 MET A 116 -1.159 -9.743 -0.196 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.591 -9.700 -0.289 1.00 0.00 H new ATOM 0 HG2 MET A 116 -0.080 -7.013 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.261 -7.882 1.125 1.00 0.00 H new ATOM 0 HE1 MET A 116 0.820 -9.642 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 116 -0.753 -8.925 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 116 -0.127 -10.304 2.521 1.00 0.00 H new ATOM 1758 N VAL A 117 1.683 -7.325 -2.492 1.00 0.00 N ATOM 1759 CA VAL A 117 3.065 -7.158 -3.053 1.00 0.00 C ATOM 1760 C VAL A 117 3.981 -6.326 -2.078 1.00 0.00 C ATOM 1761 O VAL A 117 4.356 -5.186 -2.373 1.00 0.00 O ATOM 1762 CB VAL A 117 3.042 -6.664 -4.555 1.00 0.00 C ATOM 1763 CG1 VAL A 117 2.168 -7.522 -5.501 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.672 -5.172 -4.769 1.00 0.00 C ATOM 0 H VAL A 117 1.290 -6.470 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 117 3.540 -8.137 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 117 4.091 -6.790 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.211 -7.110 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.540 -8.546 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.136 -7.514 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.687 -4.943 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.675 -4.984 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.394 -4.540 -4.252 1.00 0.00 H new ATOM 1774 N LEU A 118 4.355 -6.868 -0.897 1.00 0.00 N ATOM 1775 CA LEU A 118 5.259 -6.162 0.069 1.00 0.00 C ATOM 1776 C LEU A 118 6.783 -6.482 -0.119 1.00 0.00 C ATOM 1777 O LEU A 118 7.188 -7.565 -0.561 1.00 0.00 O ATOM 1778 CB LEU A 118 4.736 -6.235 1.539 1.00 0.00 C ATOM 1779 CG LEU A 118 4.933 -7.460 2.465 1.00 0.00 C ATOM 1780 CD1 LEU A 118 4.538 -8.772 1.794 1.00 0.00 C ATOM 1781 CD2 LEU A 118 6.348 -7.592 3.049 1.00 0.00 C ATOM 0 H LEU A 118 4.051 -7.789 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 118 5.209 -5.105 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.174 -5.384 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.661 -6.060 1.489 1.00 0.00 H new ATOM 0 HG LEU A 118 4.257 -7.264 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.696 -9.598 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.486 -8.733 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.149 -8.924 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.398 -8.476 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.069 -7.688 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.582 -6.706 3.640 1.00 0.00 H new ATOM 1793 N SER A 119 7.624 -5.495 0.239 1.00 0.00 N ATOM 1794 CA SER A 119 9.104 -5.629 0.219 1.00 0.00 C ATOM 1795 C SER A 119 9.663 -5.875 1.655 1.00 0.00 C ATOM 1796 O SER A 119 9.770 -4.933 2.455 1.00 0.00 O ATOM 1797 CB SER A 119 9.689 -4.354 -0.430 1.00 0.00 C ATOM 1798 OG SER A 119 9.265 -4.202 -1.787 1.00 0.00 O ATOM 0 H SER A 119 7.303 -4.579 0.552 1.00 0.00 H new ATOM 0 HA SER A 119 9.401 -6.497 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.383 -3.481 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.778 -4.395 -0.392 1.00 0.00 H new ATOM 0 HG SER A 119 9.654 -3.384 -2.162 1.00 0.00 H new ATOM 1804 N ARG A 120 10.018 -7.128 1.995 1.00 0.00 N ATOM 1805 CA ARG A 120 10.621 -7.462 3.320 1.00 0.00 C ATOM 1806 C ARG A 120 12.165 -7.240 3.304 1.00 0.00 C ATOM 1807 O ARG A 120 12.919 -8.022 2.718 1.00 0.00 O ATOM 1808 CB ARG A 120 10.209 -8.906 3.723 1.00 0.00 C ATOM 1809 CG ARG A 120 10.699 -9.391 5.123 1.00 0.00 C ATOM 1810 CD ARG A 120 10.273 -10.820 5.531 1.00 0.00 C ATOM 1811 NE ARG A 120 10.798 -11.859 4.585 1.00 0.00 N ATOM 1812 CZ ARG A 120 10.663 -13.177 4.714 1.00 0.00 C ATOM 1813 NH1 ARG A 120 10.188 -13.742 5.781 1.00 0.00 N ATOM 1814 NH2 ARG A 120 10.991 -13.943 3.719 1.00 0.00 N ATOM 0 H ARG A 120 9.902 -7.932 1.378 1.00 0.00 H new ATOM 0 HA ARG A 120 10.236 -6.787 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.121 -8.973 3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 120 10.589 -9.595 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 120 11.787 -9.338 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.331 -8.694 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.634 -11.032 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.185 -10.878 5.564 1.00 0.00 H new ATOM 0 HE ARG A 120 11.306 -11.524 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.896 -13.171 6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.106 -14.758 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.346 -13.533 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.894 -14.955 3.801 1.00 0.00 H new ATOM 1828 N VAL A 121 12.627 -6.165 3.944 1.00 0.00 N ATOM 1829 CA VAL A 121 14.070 -5.793 3.985 1.00 0.00 C ATOM 1830 C VAL A 121 14.827 -6.694 5.035 1.00 0.00 C ATOM 1831 O VAL A 121 14.481 -6.610 6.218 1.00 0.00 O ATOM 1832 CB VAL A 121 14.195 -4.254 4.258 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.651 -3.760 4.393 1.00 0.00 C ATOM 1834 CG2 VAL A 121 13.533 -3.361 3.176 1.00 0.00 C ATOM 0 H VAL A 121 12.024 -5.518 4.453 1.00 0.00 H new ATOM 0 HA VAL A 121 14.552 -5.983 3.026 1.00 0.00 H new ATOM 0 HB VAL A 121 13.667 -4.150 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.655 -2.686 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 121 16.135 -4.275 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 121 16.193 -3.969 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.664 -2.312 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 121 14.000 -3.553 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.469 -3.590 3.117 1.00 0.00 H new ATOM 1844 N PRO A 122 15.846 -7.543 4.692 1.00 0.00 N ATOM 1845 CA PRO A 122 16.617 -8.306 5.716 1.00 0.00 C ATOM 1846 C PRO A 122 17.644 -7.388 6.473 1.00 0.00 C ATOM 1847 O PRO A 122 18.748 -7.118 5.983 1.00 0.00 O ATOM 1848 CB PRO A 122 17.214 -9.431 4.844 1.00 0.00 C ATOM 1849 CG PRO A 122 17.406 -8.826 3.446 1.00 0.00 C ATOM 1850 CD PRO A 122 16.310 -7.767 3.305 1.00 0.00 C ATOM 0 HA PRO A 122 16.047 -8.706 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.163 -9.779 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.547 -10.292 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.396 -8.382 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 122 17.317 -9.589 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.696 -6.850 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.499 -8.115 2.664 1.00 0.00 H new ATOM 1935 N THR A 129 3.680 2.431 13.493 1.00 0.00 N ATOM 1936 CA THR A 129 2.423 1.632 13.402 1.00 0.00 C ATOM 1937 C THR A 129 2.629 0.105 13.108 1.00 0.00 C ATOM 1938 O THR A 129 3.566 -0.295 12.417 1.00 0.00 O ATOM 1939 CB THR A 129 1.407 2.266 12.379 1.00 0.00 C ATOM 1940 OG1 THR A 129 1.944 3.185 11.423 1.00 0.00 O ATOM 1941 CG2 THR A 129 0.221 2.945 13.067 1.00 0.00 C ATOM 0 HA THR A 129 1.998 1.678 14.405 1.00 0.00 H new ATOM 0 HB THR A 129 1.090 1.384 11.823 1.00 0.00 H new ATOM 0 HG1 THR A 129 2.868 3.406 11.665 1.00 0.00 H new ATOM 0 HG21 THR A 129 -0.446 3.364 12.313 1.00 0.00 H new ATOM 0 HG22 THR A 129 -0.321 2.212 13.664 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.584 3.743 13.714 1.00 0.00 H new ATOM 1949 N TYR A 130 1.717 -0.746 13.611 1.00 0.00 N ATOM 1950 CA TYR A 130 1.881 -2.231 13.573 1.00 0.00 C ATOM 1951 C TYR A 130 0.899 -2.935 12.572 1.00 0.00 C ATOM 1952 O TYR A 130 -0.166 -2.394 12.259 1.00 0.00 O ATOM 1953 CB TYR A 130 1.731 -2.783 15.027 1.00 0.00 C ATOM 1954 CG TYR A 130 2.720 -2.277 16.103 1.00 0.00 C ATOM 1955 CD1 TYR A 130 4.103 -2.460 15.954 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.242 -1.608 17.236 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.985 -1.951 16.903 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.127 -1.102 18.185 1.00 0.00 C ATOM 1959 CZ TYR A 130 4.498 -1.262 18.008 1.00 0.00 C ATOM 1960 OH TYR A 130 5.373 -0.684 18.883 1.00 0.00 O ATOM 0 H TYR A 130 0.850 -0.440 14.053 1.00 0.00 H new ATOM 0 HA TYR A 130 2.876 -2.460 13.192 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.721 -2.554 15.368 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.814 -3.869 14.982 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.485 -2.998 15.099 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.178 -1.483 17.375 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.049 -2.091 16.781 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.750 -0.587 19.056 1.00 0.00 H new ATOM 0 HH TYR A 130 4.874 -0.240 19.600 1.00 0.00 H new ATOM 1970 N TYR A 131 1.191 -4.173 12.117 1.00 0.00 N ATOM 1971 CA TYR A 131 0.160 -5.051 11.466 1.00 0.00 C ATOM 1972 C TYR A 131 -1.124 -5.298 12.353 1.00 0.00 C ATOM 1973 O TYR A 131 -0.953 -5.488 13.565 1.00 0.00 O ATOM 1974 CB TYR A 131 0.760 -6.439 11.076 1.00 0.00 C ATOM 1975 CG TYR A 131 1.381 -6.636 9.683 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.706 -6.313 8.495 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.612 -7.292 9.602 1.00 0.00 C ATOM 1978 CE1 TYR A 131 1.292 -6.577 7.257 1.00 0.00 C ATOM 1979 CE2 TYR A 131 3.180 -7.582 8.367 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.524 -7.218 7.196 1.00 0.00 C ATOM 1981 OH TYR A 131 3.076 -7.517 5.982 1.00 0.00 O ATOM 0 H TYR A 131 2.117 -4.595 12.181 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.148 -4.501 10.577 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.527 -6.681 11.812 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -0.032 -7.179 11.187 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.272 -5.858 8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.127 -7.576 10.508 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.789 -6.284 6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.132 -8.090 8.317 1.00 0.00 H new ATOM 0 HH TYR A 131 3.938 -7.963 6.116 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.387 -5.333 11.836 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.598 -5.571 12.664 1.00 0.00 C ATOM 1993 C PRO A 132 -3.990 -7.099 12.661 1.00 0.00 C ATOM 1994 O PRO A 132 -3.264 -7.907 13.254 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.504 -4.486 12.026 1.00 0.00 C ATOM 1996 CG PRO A 132 -4.023 -4.278 10.577 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.760 -5.116 10.425 1.00 0.00 C ATOM 0 HA PRO A 132 -3.578 -5.449 13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.548 -4.799 12.043 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.442 -3.554 12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.786 -4.591 9.865 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.818 -3.225 10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.949 -6.053 9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.982 -4.591 9.870 1.00 0.00 H new ATOM 2005 N GLU A 133 -5.069 -7.503 11.974 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.540 -8.920 11.906 1.00 0.00 C ATOM 2007 C GLU A 133 -5.412 -9.555 10.469 1.00 0.00 C ATOM 2008 O GLU A 133 -6.414 -9.837 9.812 1.00 0.00 O ATOM 2009 CB GLU A 133 -6.965 -8.989 12.561 1.00 0.00 C ATOM 2010 CG GLU A 133 -8.153 -8.119 12.031 1.00 0.00 C ATOM 2011 CD GLU A 133 -8.089 -6.600 12.158 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.471 -6.067 13.220 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -7.673 -5.925 11.192 1.00 0.00 O ATOM 0 H GLU A 133 -5.654 -6.860 11.441 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.880 -9.566 12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.287 -10.029 12.510 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.840 -8.746 13.616 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -8.283 -8.353 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.055 -8.452 12.544 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.173 -9.807 9.975 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.918 -10.366 8.608 1.00 0.00 C ATOM 2022 C TRP A 134 -3.807 -11.941 8.534 1.00 0.00 C ATOM 2023 O TRP A 134 -3.495 -12.589 9.539 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.758 -9.545 7.935 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.304 -10.077 7.917 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.617 -10.474 6.745 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.382 -10.246 8.943 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.707 -10.867 7.009 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.819 -10.744 8.381 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.492 -10.059 10.346 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 1.915 -11.067 9.212 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.605 -10.384 11.150 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.792 -10.879 10.591 1.00 0.00 C ATOM 0 H TRP A 134 -3.320 -9.631 10.506 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.809 -10.224 7.997 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -3.048 -9.376 6.898 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.734 -8.570 8.422 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -1.059 -10.475 5.760 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.418 -11.171 6.344 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.402 -9.675 10.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.831 -11.452 8.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.537 -10.252 12.220 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.624 -11.119 11.236 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.074 -12.551 7.363 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.384 -14.017 7.270 1.00 0.00 C ATOM 2046 C ASP A 135 -3.098 -14.940 7.294 1.00 0.00 C ATOM 2047 O ASP A 135 -2.646 -15.449 6.267 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.328 -14.292 6.048 1.00 0.00 C ATOM 2049 CG ASP A 135 -6.583 -13.433 5.812 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -7.309 -13.151 6.785 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -6.862 -13.050 4.648 1.00 0.00 O ATOM 0 H ASP A 135 -4.085 -12.067 6.465 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.922 -14.298 8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -4.717 -14.219 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.659 -15.328 6.126 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.483 -15.150 8.478 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.145 -15.814 8.606 1.00 0.00 C ATOM 2058 C ALA A 136 -0.910 -17.283 8.099 1.00 0.00 C ATOM 2059 O ALA A 136 0.228 -17.607 7.776 1.00 0.00 O ATOM 2060 CB ALA A 136 -0.730 -15.657 10.087 1.00 0.00 C ATOM 0 H ALA A 136 -2.887 -14.871 9.372 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.518 -15.298 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.243 -16.124 10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.669 -14.598 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.471 -16.139 10.725 1.00 0.00 H new ATOM 2066 N ALA A 137 -1.922 -18.167 8.049 1.00 0.00 N ATOM 2067 CA ALA A 137 -1.871 -19.358 7.151 1.00 0.00 C ATOM 2068 C ALA A 137 -2.595 -19.205 5.764 1.00 0.00 C ATOM 2069 O ALA A 137 -2.175 -19.823 4.790 1.00 0.00 O ATOM 2070 CB ALA A 137 -2.394 -20.595 7.921 1.00 0.00 C ATOM 0 H ALA A 137 -2.774 -18.092 8.604 1.00 0.00 H new ATOM 0 HA ALA A 137 -0.823 -19.479 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -2.360 -21.469 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -1.769 -20.769 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -3.422 -20.419 8.238 1.00 0.00 H new ATOM 2076 N GLU A 138 -3.682 -18.412 5.677 1.00 0.00 N ATOM 2077 CA GLU A 138 -4.548 -18.332 4.458 1.00 0.00 C ATOM 2078 C GLU A 138 -4.259 -17.150 3.445 1.00 0.00 C ATOM 2079 O GLU A 138 -5.090 -16.843 2.584 1.00 0.00 O ATOM 2080 CB GLU A 138 -6.004 -18.451 5.007 1.00 0.00 C ATOM 2081 CG GLU A 138 -6.383 -19.893 5.477 1.00 0.00 C ATOM 2082 CD GLU A 138 -7.664 -20.058 6.275 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -8.752 -20.052 5.670 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -7.581 -20.282 7.504 1.00 0.00 O ATOM 0 H GLU A 138 -3.992 -17.808 6.438 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.322 -19.143 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -6.125 -17.762 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -6.702 -18.136 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.454 -20.527 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -5.560 -20.277 6.080 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.030 -16.610 3.444 1.00 0.00 N ATOM 2092 CA TRP A 139 -2.399 -15.958 2.268 1.00 0.00 C ATOM 2093 C TRP A 139 -1.412 -16.952 1.545 1.00 0.00 C ATOM 2094 O TRP A 139 -0.332 -17.246 2.059 1.00 0.00 O ATOM 2095 CB TRP A 139 -1.666 -14.673 2.772 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.482 -13.382 2.728 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.052 -12.741 3.833 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -2.818 -12.600 1.645 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -3.825 -11.613 3.476 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.641 -11.540 2.105 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.503 -12.725 0.268 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.160 -10.598 1.186 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.005 -11.767 -0.616 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -3.827 -10.725 -0.164 1.00 0.00 C ATOM 0 H TRP A 139 -2.431 -16.610 4.270 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.152 -15.680 1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.342 -14.841 3.799 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -0.766 -14.532 2.173 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -2.916 -13.073 4.852 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.380 -11.004 4.078 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.891 -13.540 -0.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.801 -9.796 1.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -2.756 -11.830 -1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.210 -10.007 -0.874 1.00 0.00 H new ATOM 2115 N GLU A 140 -1.769 -17.426 0.339 1.00 0.00 N ATOM 2116 CA GLU A 140 -0.858 -18.267 -0.497 1.00 0.00 C ATOM 2117 C GLU A 140 0.190 -17.416 -1.290 1.00 0.00 C ATOM 2118 O GLU A 140 -0.055 -16.278 -1.713 1.00 0.00 O ATOM 2119 CB GLU A 140 -1.707 -19.158 -1.447 1.00 0.00 C ATOM 2120 CG GLU A 140 -2.360 -20.402 -0.775 1.00 0.00 C ATOM 2121 CD GLU A 140 -1.468 -21.626 -0.632 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -0.734 -21.724 0.372 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -1.515 -22.507 -1.517 1.00 0.00 O ATOM 0 H GLU A 140 -2.678 -17.248 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.277 -18.904 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.495 -18.546 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.072 -19.497 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.709 -20.114 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.240 -20.683 -1.354 1.00 0.00 H new ATOM 2130 N LEU A 141 1.384 -17.986 -1.487 1.00 0.00 N ATOM 2131 CA LEU A 141 2.541 -17.282 -2.104 1.00 0.00 C ATOM 2132 C LEU A 141 2.611 -17.521 -3.656 1.00 0.00 C ATOM 2133 O LEU A 141 2.581 -18.664 -4.121 1.00 0.00 O ATOM 2134 CB LEU A 141 3.850 -17.738 -1.394 1.00 0.00 C ATOM 2135 CG LEU A 141 3.972 -17.416 0.128 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.980 -18.716 0.953 1.00 0.00 C ATOM 2137 CD2 LEU A 141 5.197 -16.530 0.423 1.00 0.00 C ATOM 0 H LEU A 141 1.588 -18.951 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 141 2.415 -16.208 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.949 -18.816 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 141 4.694 -17.277 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 141 3.097 -16.840 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 141 4.066 -18.474 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 141 3.053 -19.263 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 141 4.827 -19.333 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.250 -16.326 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 141 6.104 -17.046 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.106 -15.590 -0.121 1.00 0.00 H new ATOM 2149 N ASP A 142 2.745 -16.448 -4.445 1.00 0.00 N ATOM 2150 CA ASP A 142 2.975 -16.530 -5.926 1.00 0.00 C ATOM 2151 C ASP A 142 4.508 -16.562 -6.267 1.00 0.00 C ATOM 2152 O ASP A 142 5.024 -17.575 -6.754 1.00 0.00 O ATOM 2153 CB ASP A 142 2.148 -15.378 -6.583 1.00 0.00 C ATOM 2154 CG ASP A 142 2.022 -15.301 -8.103 1.00 0.00 C ATOM 2155 OD1 ASP A 142 2.031 -16.339 -8.793 1.00 0.00 O ATOM 2156 OD2 ASP A 142 1.803 -14.177 -8.607 1.00 0.00 O ATOM 0 H ASP A 142 2.700 -15.492 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 142 2.618 -17.468 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 142 1.138 -15.431 -6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 142 2.579 -14.436 -6.245 1.00 0.00 H new ATOM 2161 N ALA A 143 5.246 -15.462 -6.008 1.00 0.00 N ATOM 2162 CA ALA A 143 6.645 -15.294 -6.473 1.00 0.00 C ATOM 2163 C ALA A 143 7.518 -14.440 -5.491 1.00 0.00 C ATOM 2164 O ALA A 143 7.506 -13.205 -5.528 1.00 0.00 O ATOM 2165 CB ALA A 143 6.556 -14.673 -7.887 1.00 0.00 C ATOM 0 H ALA A 143 4.894 -14.668 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 143 7.157 -16.256 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 143 7.561 -14.525 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 143 6.002 -15.343 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.043 -13.713 -7.831 1.00 0.00 H new ATOM 2171 N GLU A 144 8.341 -15.095 -4.648 1.00 0.00 N ATOM 2172 CA GLU A 144 9.434 -14.410 -3.897 1.00 0.00 C ATOM 2173 C GLU A 144 10.707 -14.182 -4.795 1.00 0.00 C ATOM 2174 O GLU A 144 11.194 -15.091 -5.479 1.00 0.00 O ATOM 2175 CB GLU A 144 9.707 -15.156 -2.559 1.00 0.00 C ATOM 2176 CG GLU A 144 10.565 -14.375 -1.520 1.00 0.00 C ATOM 2177 CD GLU A 144 10.723 -14.986 -0.129 1.00 0.00 C ATOM 2178 OE1 GLU A 144 10.951 -16.207 -0.020 1.00 0.00 O ATOM 2179 OE2 GLU A 144 10.669 -14.234 0.869 1.00 0.00 O ATOM 0 H GLU A 144 8.277 -16.096 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 144 9.115 -13.404 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 144 8.750 -15.405 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 144 10.208 -16.098 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 144 11.561 -14.239 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 144 10.130 -13.383 -1.403 1.00 0.00 H new ATOM 2186 N THR A 145 11.238 -12.946 -4.820 1.00 0.00 N ATOM 2187 CA THR A 145 12.451 -12.581 -5.616 1.00 0.00 C ATOM 2188 C THR A 145 13.525 -11.923 -4.678 1.00 0.00 C ATOM 2189 O THR A 145 13.447 -10.733 -4.339 1.00 0.00 O ATOM 2190 CB THR A 145 12.117 -11.720 -6.884 1.00 0.00 C ATOM 2191 OG1 THR A 145 11.513 -10.480 -6.546 1.00 0.00 O ATOM 2192 CG2 THR A 145 11.177 -12.380 -7.907 1.00 0.00 C ATOM 0 H THR A 145 10.848 -12.164 -4.294 1.00 0.00 H new ATOM 0 HA THR A 145 12.881 -13.497 -6.022 1.00 0.00 H new ATOM 0 HB THR A 145 13.100 -11.595 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.021 -10.055 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.013 -11.699 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.628 -13.302 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 145 10.223 -12.607 -7.431 1.00 0.00 H new ATOM 2200 N ASP A 146 14.554 -12.696 -4.291 1.00 0.00 N ATOM 2201 CA ASP A 146 15.679 -12.227 -3.426 1.00 0.00 C ATOM 2202 C ASP A 146 16.651 -11.188 -4.103 1.00 0.00 C ATOM 2203 O ASP A 146 16.886 -11.195 -5.318 1.00 0.00 O ATOM 2204 CB ASP A 146 16.387 -13.508 -2.903 1.00 0.00 C ATOM 2205 CG ASP A 146 17.581 -13.247 -1.987 1.00 0.00 C ATOM 2206 OD1 ASP A 146 17.381 -13.075 -0.771 1.00 0.00 O ATOM 2207 OD2 ASP A 146 18.716 -13.154 -2.500 1.00 0.00 O ATOM 0 H ASP A 146 14.640 -13.674 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 146 15.285 -11.637 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 146 15.659 -14.115 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 146 16.723 -14.096 -3.757 1.00 0.00 H new ATOM 2212 N HIS A 147 17.161 -10.248 -3.286 1.00 0.00 N ATOM 2213 CA HIS A 147 18.104 -9.182 -3.738 1.00 0.00 C ATOM 2214 C HIS A 147 19.077 -8.697 -2.605 1.00 0.00 C ATOM 2215 O HIS A 147 18.756 -8.732 -1.416 1.00 0.00 O ATOM 2216 CB HIS A 147 17.315 -7.936 -4.258 1.00 0.00 C ATOM 2217 CG HIS A 147 16.385 -8.162 -5.446 1.00 0.00 C ATOM 2218 ND1 HIS A 147 15.053 -8.476 -5.269 1.00 0.00 N ATOM 2219 CD2 HIS A 147 16.747 -8.330 -6.798 1.00 0.00 C ATOM 2220 CE1 HIS A 147 14.711 -8.861 -6.533 1.00 0.00 C ATOM 2221 NE2 HIS A 147 15.646 -8.764 -7.539 1.00 0.00 N ATOM 0 H HIS A 147 16.937 -10.197 -2.292 1.00 0.00 H new ATOM 0 HA HIS A 147 18.698 -9.633 -4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.723 -7.539 -3.433 1.00 0.00 H new ATOM 0 HB3 HIS A 147 18.036 -7.166 -4.532 1.00 0.00 H new ATOM 0 HD2 HIS A 147 17.732 -8.149 -7.202 1.00 0.00 H new ATOM 0 HE1 HIS A 147 13.720 -9.237 -6.741 1.00 0.00 H new ATOM 0 HE2 HIS A 147 15.559 -8.954 -8.537 1.00 0.00 H new ATOM 2230 N GLU A 148 20.204 -8.088 -3.021 1.00 0.00 N ATOM 2231 CA GLU A 148 21.135 -7.285 -2.162 1.00 0.00 C ATOM 2232 C GLU A 148 20.647 -6.401 -0.947 1.00 0.00 C ATOM 2233 O GLU A 148 21.350 -6.331 0.062 1.00 0.00 O ATOM 2234 CB GLU A 148 21.998 -6.482 -3.185 1.00 0.00 C ATOM 2235 CG GLU A 148 21.284 -5.398 -4.061 1.00 0.00 C ATOM 2236 CD GLU A 148 22.018 -4.913 -5.306 1.00 0.00 C ATOM 2237 OE1 GLU A 148 22.543 -5.751 -6.067 1.00 0.00 O ATOM 2238 OE2 GLU A 148 21.993 -3.693 -5.574 1.00 0.00 O ATOM 0 H GLU A 148 20.513 -8.135 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 148 21.647 -8.017 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.798 -5.990 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.469 -7.198 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.319 -5.798 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.082 -4.533 -3.429 1.00 0.00 H new ATOM 2245 N GLY A 149 19.480 -5.733 -1.021 1.00 0.00 N ATOM 2246 CA GLY A 149 18.831 -5.136 0.192 1.00 0.00 C ATOM 2247 C GLY A 149 17.285 -4.991 0.184 1.00 0.00 C ATOM 2248 O GLY A 149 16.766 -4.040 0.773 1.00 0.00 O ATOM 0 H GLY A 149 18.963 -5.587 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 149 19.107 -5.744 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 149 19.260 -4.147 0.350 1.00 0.00 H new ATOM 2252 N PHE A 150 16.547 -5.929 -0.440 1.00 0.00 N ATOM 2253 CA PHE A 150 15.051 -6.004 -0.360 1.00 0.00 C ATOM 2254 C PHE A 150 14.535 -7.418 -0.821 1.00 0.00 C ATOM 2255 O PHE A 150 14.993 -7.946 -1.839 1.00 0.00 O ATOM 2256 CB PHE A 150 14.336 -4.816 -1.095 1.00 0.00 C ATOM 2257 CG PHE A 150 13.942 -4.967 -2.581 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.925 -5.109 -3.561 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.597 -4.972 -2.963 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.567 -5.241 -4.901 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.242 -5.083 -4.301 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.226 -5.216 -5.274 1.00 0.00 C ATOM 0 H PHE A 150 16.958 -6.662 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 150 14.776 -5.887 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.428 -4.587 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.986 -3.945 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.968 -5.117 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.827 -4.889 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.333 -5.363 -5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.200 -5.066 -4.586 1.00 0.00 H new ATOM 0 HZ PHE A 150 12.951 -5.300 -6.315 1.00 0.00 H new ATOM 2272 N THR A 151 13.530 -7.993 -0.144 1.00 0.00 N ATOM 2273 CA THR A 151 12.880 -9.270 -0.586 1.00 0.00 C ATOM 2274 C THR A 151 11.431 -8.967 -1.085 1.00 0.00 C ATOM 2275 O THR A 151 10.534 -8.750 -0.267 1.00 0.00 O ATOM 2276 CB THR A 151 12.860 -10.350 0.546 1.00 0.00 C ATOM 2277 OG1 THR A 151 14.008 -10.297 1.384 1.00 0.00 O ATOM 2278 CG2 THR A 151 12.789 -11.780 -0.007 1.00 0.00 C ATOM 0 H THR A 151 13.138 -7.606 0.714 1.00 0.00 H new ATOM 0 HA THR A 151 13.472 -9.685 -1.402 1.00 0.00 H new ATOM 0 HB THR A 151 11.964 -10.113 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 151 13.922 -9.547 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 151 12.778 -12.490 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 151 11.881 -11.897 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 151 13.658 -11.970 -0.636 1.00 0.00 H new ATOM 2286 N LEU A 152 11.162 -8.967 -2.403 1.00 0.00 N ATOM 2287 CA LEU A 152 9.763 -8.844 -2.922 1.00 0.00 C ATOM 2288 C LEU A 152 9.028 -10.207 -2.840 1.00 0.00 C ATOM 2289 O LEU A 152 9.473 -11.177 -3.450 1.00 0.00 O ATOM 2290 CB LEU A 152 9.822 -8.234 -4.353 1.00 0.00 C ATOM 2291 CG LEU A 152 8.549 -8.208 -5.254 1.00 0.00 C ATOM 2292 CD1 LEU A 152 8.212 -9.545 -5.936 1.00 0.00 C ATOM 2293 CD2 LEU A 152 7.289 -7.636 -4.583 1.00 0.00 C ATOM 0 H LEU A 152 11.874 -9.049 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 152 9.171 -8.168 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 152 10.165 -7.204 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 152 10.594 -8.774 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 152 8.852 -7.507 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 152 7.312 -9.429 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 152 9.042 -9.847 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 152 8.043 -10.308 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.458 -7.660 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 152 7.039 -8.235 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.475 -6.607 -4.277 1.00 0.00 H new ATOM 2305 N GLN A 153 7.900 -10.249 -2.130 1.00 0.00 N ATOM 2306 CA GLN A 153 6.932 -11.378 -2.206 1.00 0.00 C ATOM 2307 C GLN A 153 5.637 -10.915 -2.941 1.00 0.00 C ATOM 2308 O GLN A 153 4.874 -10.097 -2.412 1.00 0.00 O ATOM 2309 CB GLN A 153 6.606 -11.817 -0.762 1.00 0.00 C ATOM 2310 CG GLN A 153 7.723 -12.539 0.014 1.00 0.00 C ATOM 2311 CD GLN A 153 7.747 -12.204 1.499 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.995 -11.434 2.094 1.00 0.00 O ATOM 2313 NE2 GLN A 153 8.685 -12.782 2.153 1.00 0.00 N ATOM 0 H GLN A 153 7.619 -9.511 -1.484 1.00 0.00 H new ATOM 0 HA GLN A 153 7.356 -12.213 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 153 6.316 -10.932 -0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 153 5.736 -12.473 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.600 -13.615 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 153 8.686 -12.278 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 153 9.318 -13.424 1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 153 8.798 -12.600 3.150 1.00 0.00 H new ATOM 2322 N GLU A 154 5.363 -11.470 -4.131 1.00 0.00 N ATOM 2323 CA GLU A 154 3.980 -11.496 -4.684 1.00 0.00 C ATOM 2324 C GLU A 154 3.135 -12.640 -4.016 1.00 0.00 C ATOM 2325 O GLU A 154 3.601 -13.763 -3.796 1.00 0.00 O ATOM 2326 CB GLU A 154 4.013 -11.551 -6.238 1.00 0.00 C ATOM 2327 CG GLU A 154 4.403 -10.206 -6.922 1.00 0.00 C ATOM 2328 CD GLU A 154 3.930 -9.989 -8.351 1.00 0.00 C ATOM 2329 OE1 GLU A 154 2.741 -9.645 -8.548 1.00 0.00 O ATOM 2330 OE2 GLU A 154 4.767 -10.068 -9.274 1.00 0.00 O ATOM 0 H GLU A 154 6.064 -11.905 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 154 3.468 -10.568 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.721 -12.320 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 154 3.031 -11.857 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 154 4.015 -9.391 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 154 5.490 -10.124 -6.910 1.00 0.00 H new ATOM 2337 N TRP A 155 1.894 -12.316 -3.649 1.00 0.00 N ATOM 2338 CA TRP A 155 0.956 -13.240 -2.953 1.00 0.00 C ATOM 2339 C TRP A 155 -0.420 -13.254 -3.700 1.00 0.00 C ATOM 2340 O TRP A 155 -0.871 -12.232 -4.230 1.00 0.00 O ATOM 2341 CB TRP A 155 0.728 -12.775 -1.486 1.00 0.00 C ATOM 2342 CG TRP A 155 1.909 -12.658 -0.508 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.746 -11.526 -0.423 1.00 0.00 C ATOM 2344 CD2 TRP A 155 2.184 -13.396 0.634 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.504 -11.522 0.755 1.00 0.00 N ATOM 2346 CE2 TRP A 155 3.139 -12.676 1.397 1.00 0.00 C ATOM 2347 CE3 TRP A 155 1.654 -14.614 1.131 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.527 -13.130 2.673 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 2.086 -15.067 2.383 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.991 -14.326 3.149 1.00 0.00 C ATOM 0 H TRP A 155 1.493 -11.394 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 155 1.390 -14.240 -2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 155 0.250 -11.797 -1.530 1.00 0.00 H new ATOM 0 HB3 TRP A 155 0.009 -13.462 -1.040 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.797 -10.754 -1.177 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.175 -10.819 1.065 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.934 -15.179 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 4.226 -12.563 3.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 1.713 -16.006 2.764 1.00 0.00 H new ATOM 0 HH2 TRP A 155 3.280 -14.686 4.125 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.113 -14.403 -3.688 1.00 0.00 N ATOM 2362 CA VAL A 156 -2.434 -14.585 -4.386 1.00 0.00 C ATOM 2363 C VAL A 156 -3.697 -14.844 -3.471 1.00 0.00 C ATOM 2364 O VAL A 156 -4.807 -14.562 -3.920 1.00 0.00 O ATOM 2365 CB VAL A 156 -2.230 -15.661 -5.514 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.069 -17.115 -5.008 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -3.348 -15.627 -6.579 1.00 0.00 C ATOM 0 H VAL A 156 -0.791 -15.240 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 156 -2.710 -13.622 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 156 -1.281 -15.366 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -1.934 -17.783 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -1.199 -17.179 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -2.961 -17.408 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.156 -16.391 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -4.310 -15.820 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.369 -14.646 -7.054 1.00 0.00 H new ATOM 2377 N ARG A 157 -3.554 -15.375 -2.235 1.00 0.00 N ATOM 2378 CA ARG A 157 -4.676 -15.783 -1.321 1.00 0.00 C ATOM 2379 C ARG A 157 -5.025 -17.306 -1.393 1.00 0.00 C ATOM 2380 O ARG A 157 -5.025 -17.941 -2.449 1.00 0.00 O ATOM 2381 CB ARG A 157 -5.998 -14.952 -1.300 1.00 0.00 C ATOM 2382 CG ARG A 157 -5.828 -13.483 -0.897 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.136 -12.704 -0.751 1.00 0.00 C ATOM 2384 NE ARG A 157 -7.838 -12.932 0.540 1.00 0.00 N ATOM 2385 CZ ARG A 157 -8.894 -12.228 0.902 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -9.727 -11.681 0.054 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -9.107 -12.055 2.166 1.00 0.00 N ATOM 0 H ARG A 157 -2.636 -15.541 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 157 -4.198 -15.531 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.452 -14.992 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.697 -15.425 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.288 -13.440 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -5.206 -12.986 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.926 -11.640 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.803 -12.978 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.491 -13.658 1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.577 -11.788 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.526 -11.148 0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.467 -12.458 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.915 -11.516 2.478 1.00 0.00 H new ATOM 2401 N SER A 158 -5.434 -17.875 -0.247 1.00 0.00 N ATOM 2402 CA SER A 158 -6.119 -19.203 -0.167 1.00 0.00 C ATOM 2403 C SER A 158 -7.359 -19.523 -1.083 1.00 0.00 C ATOM 2404 O SER A 158 -7.726 -20.695 -1.209 1.00 0.00 O ATOM 2405 CB SER A 158 -6.481 -19.385 1.324 1.00 0.00 C ATOM 2406 OG SER A 158 -7.490 -18.468 1.765 1.00 0.00 O ATOM 0 H SER A 158 -5.304 -17.434 0.664 1.00 0.00 H new ATOM 0 HA SER A 158 -5.408 -19.917 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 158 -6.827 -20.406 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 158 -5.585 -19.251 1.930 1.00 0.00 H new ATOM 0 HG SER A 158 -7.064 -17.671 2.144 1.00 0.00 H new