USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 84 HIS : no HD1:sc= -1.14 K(o=-0.5,f=-7.6!) USER MOD Set 1.2: A 86 THR OG1 : rot -95:sc= 0.648 USER MOD Set 2.1: A 11 SER OG : rot 12:sc= 0.55 USER MOD Set 2.2: A 21 ASN : amide:sc= 0.781 K(o=1.3,f=0.3) USER MOD Single : A 1 ILE N :NH3+ 157:sc= -0.094 (180deg=-0.246) USER MOD Single : A 2 GLN : amide:sc= 0.214 K(o=0.21,f=-0.77) USER MOD Single : A 4 THR OG1 : rot 21:sc= 0.643 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0533) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 10 TYR OH : rot -92:sc= 1.14 USER MOD Single : A 13 HIS : no HD1:sc= -1.41! C(o=-1.4!,f=-1.7!) USER MOD Single : A 17 ASN : amide:sc= -3.88! C(o=-3.9!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -0.222 (180deg=-0.873) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.977 K(o=-0.98,f=-3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.28) USER MOD Single : A 33 SER OG : rot -57:sc= 0.868 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0.308 (180deg=0.126) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.282 F(o=-1,f=-0.28) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 1.02 (180deg=0.8) USER MOD Single : A 51 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.027) USER MOD Single : A 52 SER OG : rot 180:sc= 0.428 USER MOD Single : A 55 SER OG : rot 55:sc= 1.1 USER MOD Single : A 57 SER OG : rot 160:sc= 0.538 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0207 (180deg=-0.251) USER MOD Single : A 61 SER OG : rot -150:sc= 0.0876 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 68 THR OG1 : rot 70:sc= 0.107 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.453 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 151:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 89 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.0389 (180deg=-1.31!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.984 -6.633 -4.776 1.00 0.00 N ATOM 2 CA ILE A 1 -22.292 -7.799 -4.180 1.00 0.00 C ATOM 3 C ILE A 1 -21.045 -7.355 -3.418 1.00 0.00 C ATOM 4 O ILE A 1 -20.977 -7.512 -2.202 1.00 0.00 O ATOM 5 CB ILE A 1 -21.922 -8.866 -5.247 1.00 0.00 C ATOM 6 CG1 ILE A 1 -21.313 -8.223 -6.507 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.151 -9.686 -5.606 1.00 0.00 C ATOM 8 CD1 ILE A 1 -20.940 -9.224 -7.582 1.00 0.00 C ATOM 0 H1 ILE A 1 -23.566 -6.948 -5.579 1.00 0.00 H new ATOM 0 H2 ILE A 1 -23.593 -6.188 -4.060 1.00 0.00 H new ATOM 0 H3 ILE A 1 -22.280 -5.944 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 1 -22.988 -8.262 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 1 -21.165 -9.523 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -22.025 -7.508 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -20.424 -7.660 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -22.885 -10.432 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.528 -10.186 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -23.922 -9.029 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -20.518 -8.698 -8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -20.204 -9.924 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -21.830 -9.771 -7.895 1.00 0.00 H new ATOM 19 N GLN A 2 -20.067 -6.807 -4.144 1.00 0.00 N ATOM 20 CA GLN A 2 -18.860 -6.222 -3.564 1.00 0.00 C ATOM 21 C GLN A 2 -17.936 -5.823 -4.725 1.00 0.00 C ATOM 22 O GLN A 2 -18.112 -6.315 -5.841 1.00 0.00 O ATOM 23 CB GLN A 2 -18.141 -7.218 -2.632 1.00 0.00 C ATOM 24 CG GLN A 2 -17.381 -6.559 -1.479 1.00 0.00 C ATOM 25 CD GLN A 2 -18.320 -5.997 -0.425 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.415 -6.509 -0.218 1.00 0.00 O ATOM 27 NE2 GLN A 2 -17.897 -4.951 0.260 1.00 0.00 N ATOM 0 H GLN A 2 -20.093 -6.758 -5.162 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.126 -5.355 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.876 -7.909 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.442 -7.811 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.716 -7.290 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.753 -5.758 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.981 -4.549 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.487 -4.545 0.986 1.00 0.00 H new ATOM 36 N ARG A 3 -16.965 -4.944 -4.485 1.00 0.00 N ATOM 37 CA ARG A 3 -16.061 -4.495 -5.552 1.00 0.00 C ATOM 38 C ARG A 3 -14.615 -4.797 -5.181 1.00 0.00 C ATOM 39 O ARG A 3 -14.208 -4.576 -4.041 1.00 0.00 O ATOM 40 CB ARG A 3 -16.267 -2.998 -5.842 1.00 0.00 C ATOM 41 CG ARG A 3 -15.126 -2.331 -6.636 1.00 0.00 C ATOM 42 CD ARG A 3 -15.566 -1.019 -7.297 1.00 0.00 C ATOM 43 NE ARG A 3 -16.912 -0.612 -6.885 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.226 0.601 -6.425 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.303 1.554 -6.346 1.00 0.00 N ATOM 46 NH2 ARG A 3 -18.477 0.867 -6.071 1.00 0.00 N ATOM 0 H ARG A 3 -16.782 -4.529 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.295 -5.043 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.197 -2.874 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.388 -2.472 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.288 -2.135 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.769 -3.019 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.857 -0.231 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.539 -1.134 -8.381 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.660 -1.302 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.345 1.362 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.553 2.478 -5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.194 0.146 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.722 1.793 -5.719 1.00 0.00 H new ATOM 60 N THR A 4 -13.850 -5.309 -6.148 1.00 0.00 N ATOM 61 CA THR A 4 -12.497 -5.788 -5.885 1.00 0.00 C ATOM 62 C THR A 4 -11.518 -4.630 -5.736 1.00 0.00 C ATOM 63 O THR A 4 -11.319 -3.855 -6.677 1.00 0.00 O ATOM 64 CB THR A 4 -11.992 -6.739 -7.001 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.846 -6.022 -8.234 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.953 -7.892 -7.223 1.00 0.00 C ATOM 0 H THR A 4 -14.147 -5.401 -7.119 1.00 0.00 H new ATOM 0 HA THR A 4 -12.545 -6.343 -4.948 1.00 0.00 H new ATOM 0 HB THR A 4 -11.029 -7.136 -6.679 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.771 -5.063 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.569 -8.539 -8.012 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.054 -8.464 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.928 -7.502 -7.516 1.00 0.00 H new ATOM 74 N PRO A 5 -10.903 -4.487 -4.554 1.00 0.00 N ATOM 75 CA PRO A 5 -9.899 -3.462 -4.328 1.00 0.00 C ATOM 76 C PRO A 5 -8.602 -3.816 -5.034 1.00 0.00 C ATOM 77 O PRO A 5 -8.070 -4.919 -4.873 1.00 0.00 O ATOM 78 CB PRO A 5 -9.705 -3.432 -2.804 1.00 0.00 C ATOM 79 CG PRO A 5 -10.714 -4.382 -2.235 1.00 0.00 C ATOM 80 CD PRO A 5 -11.127 -5.301 -3.354 1.00 0.00 C ATOM 0 HA PRO A 5 -10.204 -2.492 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.692 -3.732 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.854 -2.426 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.288 -4.949 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.575 -3.841 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.530 -6.213 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.170 -5.605 -3.262 1.00 0.00 H new ATOM 88 N LYS A 6 -8.093 -2.888 -5.817 1.00 0.00 N ATOM 89 CA LYS A 6 -6.921 -3.147 -6.622 1.00 0.00 C ATOM 90 C LYS A 6 -5.705 -2.511 -5.966 1.00 0.00 C ATOM 91 O LYS A 6 -5.827 -1.525 -5.234 1.00 0.00 O ATOM 92 CB LYS A 6 -7.135 -2.611 -8.045 1.00 0.00 C ATOM 93 CG LYS A 6 -6.067 -3.032 -9.045 1.00 0.00 C ATOM 94 CD LYS A 6 -6.433 -2.593 -10.455 1.00 0.00 C ATOM 95 CE LYS A 6 -5.396 -3.031 -11.482 1.00 0.00 C ATOM 96 NZ LYS A 6 -4.084 -2.369 -11.269 1.00 0.00 N ATOM 0 H LYS A 6 -8.474 -1.947 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.750 -4.221 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.106 -2.950 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.171 -1.522 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.108 -2.597 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.946 -4.115 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.405 -3.009 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.532 -1.508 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.269 -4.112 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.759 -2.801 -12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.451 -2.589 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.220 -1.340 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.661 -2.714 -10.384 1.00 0.00 H new ATOM 110 N ILE A 7 -4.541 -3.075 -6.229 1.00 0.00 N ATOM 111 CA ILE A 7 -3.344 -2.702 -5.499 1.00 0.00 C ATOM 112 C ILE A 7 -2.525 -1.689 -6.270 1.00 0.00 C ATOM 113 O ILE A 7 -2.052 -1.969 -7.372 1.00 0.00 O ATOM 114 CB ILE A 7 -2.449 -3.918 -5.209 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.293 -5.147 -4.870 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.490 -3.601 -4.069 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.244 -4.939 -3.718 1.00 0.00 C ATOM 0 H ILE A 7 -4.399 -3.791 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.684 -2.269 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.870 -4.142 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.864 -5.437 -5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.628 -5.978 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.860 -4.469 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.863 -2.753 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.059 -3.354 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.806 -5.856 -3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.679 -4.680 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.935 -4.131 -3.958 1.00 0.00 H new ATOM 129 N GLN A 8 -2.362 -0.518 -5.688 1.00 0.00 N ATOM 130 CA GLN A 8 -1.460 0.472 -6.224 1.00 0.00 C ATOM 131 C GLN A 8 -0.393 0.797 -5.182 1.00 0.00 C ATOM 132 O GLN A 8 -0.699 1.287 -4.096 1.00 0.00 O ATOM 133 CB GLN A 8 -2.236 1.729 -6.619 1.00 0.00 C ATOM 134 CG GLN A 8 -3.057 1.571 -7.887 1.00 0.00 C ATOM 135 CD GLN A 8 -3.909 2.792 -8.185 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.348 3.496 -7.276 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.144 3.055 -9.461 1.00 0.00 N ATOM 0 H GLN A 8 -2.848 -0.231 -4.838 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.973 0.081 -7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.900 2.007 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.533 2.551 -6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.389 1.385 -8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.701 0.697 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.762 2.447 -10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.707 3.866 -9.719 1.00 0.00 H new ATOM 146 N VAL A 9 0.853 0.506 -5.518 1.00 0.00 N ATOM 147 CA VAL A 9 1.967 0.757 -4.615 1.00 0.00 C ATOM 148 C VAL A 9 3.155 1.330 -5.374 1.00 0.00 C ATOM 149 O VAL A 9 3.578 0.802 -6.406 1.00 0.00 O ATOM 150 CB VAL A 9 2.374 -0.514 -3.813 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.414 -1.746 -4.699 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.719 -0.320 -3.120 1.00 0.00 C ATOM 0 H VAL A 9 1.120 0.094 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 9 1.633 1.496 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 9 1.610 -0.670 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.702 -2.613 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.428 -1.915 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.141 -1.596 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.977 -1.224 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.487 -0.119 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.655 0.521 -2.430 1.00 0.00 H new ATOM 162 N TYR A 10 3.669 2.428 -4.849 1.00 0.00 N ATOM 163 CA TYR A 10 4.754 3.168 -5.467 1.00 0.00 C ATOM 164 C TYR A 10 5.355 4.093 -4.414 1.00 0.00 C ATOM 165 O TYR A 10 4.847 4.165 -3.296 1.00 0.00 O ATOM 166 CB TYR A 10 4.238 3.950 -6.689 1.00 0.00 C ATOM 167 CG TYR A 10 3.091 4.896 -6.394 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.324 6.182 -5.924 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.775 4.501 -6.601 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.277 7.046 -5.667 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.724 5.359 -6.345 1.00 0.00 C ATOM 172 CZ TYR A 10 0.981 6.630 -5.880 1.00 0.00 C ATOM 173 OH TYR A 10 -0.065 7.489 -5.627 1.00 0.00 O ATOM 0 H TYR A 10 3.341 2.835 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 10 5.527 2.490 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.063 4.522 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.918 3.239 -7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.339 6.512 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.571 3.506 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.474 8.043 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.293 5.036 -6.508 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.375 7.364 -4.706 1.00 0.00 H new ATOM 183 N SER A 11 6.434 4.783 -4.744 1.00 0.00 N ATOM 184 CA SER A 11 7.086 5.632 -3.764 1.00 0.00 C ATOM 185 C SER A 11 6.573 7.064 -3.876 1.00 0.00 C ATOM 186 O SER A 11 6.192 7.505 -4.961 1.00 0.00 O ATOM 187 CB SER A 11 8.606 5.593 -3.940 1.00 0.00 C ATOM 188 OG SER A 11 9.267 6.133 -2.803 1.00 0.00 O ATOM 0 H SER A 11 6.870 4.773 -5.666 1.00 0.00 H new ATOM 0 HA SER A 11 6.847 5.254 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.931 4.565 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.887 6.157 -4.830 1.00 0.00 H new ATOM 0 HG SER A 11 8.626 6.234 -2.069 1.00 0.00 H new ATOM 194 N ARG A 12 6.528 7.770 -2.751 1.00 0.00 N ATOM 195 CA ARG A 12 6.100 9.179 -2.737 1.00 0.00 C ATOM 196 C ARG A 12 6.952 9.991 -3.722 1.00 0.00 C ATOM 197 O ARG A 12 6.432 10.698 -4.585 1.00 0.00 O ATOM 198 CB ARG A 12 6.261 9.734 -1.305 1.00 0.00 C ATOM 199 CG ARG A 12 5.399 10.950 -0.933 1.00 0.00 C ATOM 200 CD ARG A 12 5.565 12.114 -1.889 1.00 0.00 C ATOM 201 NE ARG A 12 4.498 12.159 -2.885 1.00 0.00 N ATOM 202 CZ ARG A 12 4.207 13.226 -3.626 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.879 14.358 -3.463 1.00 0.00 N ATOM 204 NH2 ARG A 12 3.233 13.155 -4.526 1.00 0.00 N ATOM 0 H ARG A 12 6.780 7.398 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 12 5.056 9.254 -3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.037 8.931 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.308 10.002 -1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.351 10.652 -0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.657 11.276 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.575 13.047 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.528 12.035 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 12 3.939 11.317 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.623 14.414 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.652 15.173 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.712 12.286 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.006 13.969 -5.097 1.00 0.00 H new ATOM 218 N HIS A 13 8.256 9.832 -3.613 1.00 0.00 N ATOM 219 CA HIS A 13 9.202 10.582 -4.430 1.00 0.00 C ATOM 220 C HIS A 13 10.190 9.608 -5.082 1.00 0.00 C ATOM 221 O HIS A 13 10.066 8.404 -4.855 1.00 0.00 O ATOM 222 CB HIS A 13 9.941 11.609 -3.557 1.00 0.00 C ATOM 223 CG HIS A 13 9.584 13.032 -3.857 1.00 0.00 C ATOM 224 ND1 HIS A 13 10.548 14.007 -3.943 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.371 13.592 -4.061 1.00 0.00 C ATOM 226 CE1 HIS A 13 9.902 15.132 -4.193 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.579 14.932 -4.273 1.00 0.00 N ATOM 0 H HIS A 13 8.693 9.183 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 13 8.670 11.120 -5.215 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.723 11.404 -2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.015 11.479 -3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.419 13.082 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.380 16.092 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.866 15.638 -4.456 1.00 0.00 H new ATOM 235 N PRO A 14 11.172 10.073 -5.902 1.00 0.00 N ATOM 236 CA PRO A 14 12.176 9.176 -6.489 1.00 0.00 C ATOM 237 C PRO A 14 12.827 8.272 -5.442 1.00 0.00 C ATOM 238 O PRO A 14 13.137 8.708 -4.332 1.00 0.00 O ATOM 239 CB PRO A 14 13.228 10.115 -7.105 1.00 0.00 C ATOM 240 CG PRO A 14 12.855 11.509 -6.668 1.00 0.00 C ATOM 241 CD PRO A 14 11.379 11.466 -6.346 1.00 0.00 C ATOM 0 HA PRO A 14 11.722 8.505 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.230 9.855 -6.763 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.232 10.036 -8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.435 11.813 -5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.061 12.233 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.116 12.181 -5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.769 11.706 -7.217 1.00 0.00 H new ATOM 249 N ALA A 15 13.030 7.017 -5.812 1.00 0.00 N ATOM 250 CA ALA A 15 13.567 6.017 -4.909 1.00 0.00 C ATOM 251 C ALA A 15 15.078 5.957 -5.024 1.00 0.00 C ATOM 252 O ALA A 15 15.610 5.725 -6.110 1.00 0.00 O ATOM 253 CB ALA A 15 12.974 4.660 -5.235 1.00 0.00 C ATOM 0 H ALA A 15 12.826 6.665 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 15 13.304 6.291 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.380 3.912 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.890 4.700 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.224 4.391 -6.261 1.00 0.00 H new ATOM 259 N GLU A 16 15.769 6.162 -3.922 1.00 0.00 N ATOM 260 CA GLU A 16 17.216 6.147 -3.930 1.00 0.00 C ATOM 261 C GLU A 16 17.728 5.069 -2.980 1.00 0.00 C ATOM 262 O GLU A 16 17.343 5.017 -1.812 1.00 0.00 O ATOM 263 CB GLU A 16 17.731 7.540 -3.538 1.00 0.00 C ATOM 264 CG GLU A 16 19.074 7.938 -4.144 1.00 0.00 C ATOM 265 CD GLU A 16 20.270 7.344 -3.442 1.00 0.00 C ATOM 266 OE1 GLU A 16 20.598 7.802 -2.334 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.920 6.453 -4.022 1.00 0.00 O ATOM 0 H GLU A 16 15.351 6.341 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 16 17.587 5.909 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.986 8.280 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.814 7.585 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.092 7.633 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.160 9.024 -4.127 1.00 0.00 H new ATOM 274 N ASN A 17 18.565 4.190 -3.506 1.00 0.00 N ATOM 275 CA ASN A 17 19.107 3.073 -2.728 1.00 0.00 C ATOM 276 C ASN A 17 20.200 3.550 -1.781 1.00 0.00 C ATOM 277 O ASN A 17 21.185 4.157 -2.194 1.00 0.00 O ATOM 278 CB ASN A 17 19.613 1.960 -3.664 1.00 0.00 C ATOM 279 CG ASN A 17 20.679 1.058 -3.049 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.661 0.758 -1.858 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.623 0.616 -3.865 1.00 0.00 N ATOM 0 H ASN A 17 18.889 4.223 -4.473 1.00 0.00 H new ATOM 0 HA ASN A 17 18.307 2.656 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.766 1.346 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.017 2.417 -4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.362 0.009 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.612 0.882 -4.850 1.00 0.00 H new ATOM 288 N GLY A 18 20.018 3.248 -0.503 1.00 0.00 N ATOM 289 CA GLY A 18 20.901 3.756 0.521 1.00 0.00 C ATOM 290 C GLY A 18 20.429 5.105 1.001 1.00 0.00 C ATOM 291 O GLY A 18 21.191 5.879 1.585 1.00 0.00 O ATOM 0 H GLY A 18 19.265 2.653 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.938 3.058 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.915 3.837 0.129 1.00 0.00 H new ATOM 295 N LYS A 19 19.158 5.383 0.753 1.00 0.00 N ATOM 296 CA LYS A 19 18.589 6.679 1.047 1.00 0.00 C ATOM 297 C LYS A 19 17.253 6.529 1.736 1.00 0.00 C ATOM 298 O LYS A 19 16.560 5.528 1.570 1.00 0.00 O ATOM 299 CB LYS A 19 18.403 7.447 -0.252 1.00 0.00 C ATOM 300 CG LYS A 19 18.174 8.938 -0.081 1.00 0.00 C ATOM 301 CD LYS A 19 19.354 9.611 0.560 1.00 0.00 C ATOM 302 CE LYS A 19 19.341 11.115 0.323 1.00 0.00 C ATOM 303 NZ LYS A 19 19.391 11.434 -1.126 1.00 0.00 N ATOM 0 H LYS A 19 18.500 4.718 0.345 1.00 0.00 H new ATOM 0 HA LYS A 19 19.265 7.220 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.284 7.298 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.556 7.023 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.981 9.391 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.286 9.102 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.349 9.411 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.276 9.188 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.441 11.546 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.192 11.572 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.104 12.172 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.644 10.579 -1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.460 11.775 -1.439 1.00 0.00 H new ATOM 317 N SER A 20 16.908 7.533 2.511 1.00 0.00 N ATOM 318 CA SER A 20 15.627 7.573 3.171 1.00 0.00 C ATOM 319 C SER A 20 14.549 8.015 2.191 1.00 0.00 C ATOM 320 O SER A 20 14.727 8.979 1.443 1.00 0.00 O ATOM 321 CB SER A 20 15.688 8.521 4.355 1.00 0.00 C ATOM 322 OG SER A 20 16.632 8.074 5.316 1.00 0.00 O ATOM 0 H SER A 20 17.505 8.339 2.699 1.00 0.00 H new ATOM 0 HA SER A 20 15.379 6.575 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.958 9.520 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.703 8.597 4.816 1.00 0.00 H new ATOM 0 HG SER A 20 16.655 8.701 6.068 1.00 0.00 H new ATOM 328 N ASN A 21 13.438 7.309 2.211 1.00 0.00 N ATOM 329 CA ASN A 21 12.346 7.556 1.281 1.00 0.00 C ATOM 330 C ASN A 21 11.024 7.304 1.979 1.00 0.00 C ATOM 331 O ASN A 21 10.998 6.844 3.123 1.00 0.00 O ATOM 332 CB ASN A 21 12.464 6.649 0.039 1.00 0.00 C ATOM 333 CG ASN A 21 12.823 7.413 -1.223 1.00 0.00 C ATOM 334 OD1 ASN A 21 13.999 7.601 -1.534 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.814 7.836 -1.972 1.00 0.00 N ATOM 0 H ASN A 21 13.263 6.549 2.868 1.00 0.00 H new ATOM 0 HA ASN A 21 12.397 8.594 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.221 5.887 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.519 6.128 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.999 8.337 -2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.853 7.660 -1.679 1.00 0.00 H new ATOM 342 N PHE A 22 9.928 7.594 1.296 1.00 0.00 N ATOM 343 CA PHE A 22 8.601 7.369 1.845 1.00 0.00 C ATOM 344 C PHE A 22 7.822 6.443 0.919 1.00 0.00 C ATOM 345 O PHE A 22 7.805 6.640 -0.302 1.00 0.00 O ATOM 346 CB PHE A 22 7.844 8.692 2.007 1.00 0.00 C ATOM 347 CG PHE A 22 8.294 9.555 3.152 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.461 9.761 4.238 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.535 10.173 3.137 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.855 10.561 5.292 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.935 10.974 4.188 1.00 0.00 C ATOM 352 CZ PHE A 22 9.093 11.168 5.267 1.00 0.00 C ATOM 0 H PHE A 22 9.932 7.988 0.355 1.00 0.00 H new ATOM 0 HA PHE A 22 8.704 6.910 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.942 9.263 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.784 8.472 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.490 9.290 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.195 10.026 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.195 10.711 6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.905 11.449 4.167 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.404 11.794 6.090 1.00 0.00 H new ATOM 362 N LEU A 23 7.204 5.425 1.493 1.00 0.00 N ATOM 363 CA LEU A 23 6.413 4.477 0.722 1.00 0.00 C ATOM 364 C LEU A 23 4.977 4.952 0.664 1.00 0.00 C ATOM 365 O LEU A 23 4.530 5.692 1.535 1.00 0.00 O ATOM 366 CB LEU A 23 6.457 3.099 1.377 1.00 0.00 C ATOM 367 CG LEU A 23 6.759 1.896 0.461 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.643 0.599 1.250 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.840 1.849 -0.754 1.00 0.00 C ATOM 0 H LEU A 23 7.234 5.232 2.494 1.00 0.00 H new ATOM 0 HA LEU A 23 6.825 4.409 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.210 3.122 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.496 2.923 1.861 1.00 0.00 H new ATOM 0 HG LEU A 23 7.778 2.015 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.858 -0.246 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.356 0.610 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.632 0.503 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.092 0.984 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.804 1.770 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.965 2.759 -1.340 1.00 0.00 H new ATOM 381 N ASN A 24 4.267 4.527 -0.356 1.00 0.00 N ATOM 382 CA ASN A 24 2.860 4.853 -0.492 1.00 0.00 C ATOM 383 C ASN A 24 2.094 3.658 -1.026 1.00 0.00 C ATOM 384 O ASN A 24 2.394 3.143 -2.106 1.00 0.00 O ATOM 385 CB ASN A 24 2.659 6.061 -1.415 1.00 0.00 C ATOM 386 CG ASN A 24 2.929 7.382 -0.720 1.00 0.00 C ATOM 387 OD1 ASN A 24 4.059 7.855 -0.690 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.888 7.991 -0.170 1.00 0.00 N ATOM 0 H ASN A 24 4.641 3.951 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 24 2.477 5.111 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.319 5.968 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.637 6.057 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.012 8.888 0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.963 7.563 -0.217 1.00 0.00 H new ATOM 395 N CYS A 25 1.112 3.214 -0.262 1.00 0.00 N ATOM 396 CA CYS A 25 0.266 2.116 -0.673 1.00 0.00 C ATOM 397 C CYS A 25 -1.166 2.622 -0.732 1.00 0.00 C ATOM 398 O CYS A 25 -1.716 3.093 0.270 1.00 0.00 O ATOM 399 CB CYS A 25 0.411 0.949 0.300 1.00 0.00 C ATOM 400 SG CYS A 25 -0.031 -0.670 -0.400 1.00 0.00 S ATOM 0 H CYS A 25 0.882 3.603 0.653 1.00 0.00 H new ATOM 0 HA CYS A 25 0.558 1.751 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.442 0.910 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.216 1.138 1.172 1.00 0.00 H new ATOM 405 N TYR A 26 -1.751 2.547 -1.911 1.00 0.00 N ATOM 406 CA TYR A 26 -3.058 3.115 -2.165 1.00 0.00 C ATOM 407 C TYR A 26 -3.997 2.022 -2.639 1.00 0.00 C ATOM 408 O TYR A 26 -3.923 1.585 -3.789 1.00 0.00 O ATOM 409 CB TYR A 26 -2.982 4.203 -3.243 1.00 0.00 C ATOM 410 CG TYR A 26 -2.549 5.587 -2.783 1.00 0.00 C ATOM 411 CD1 TYR A 26 -3.483 6.512 -2.326 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.221 5.999 -2.882 1.00 0.00 C ATOM 413 CE1 TYR A 26 -3.111 7.798 -1.984 1.00 0.00 C ATOM 414 CE2 TYR A 26 -0.842 7.279 -2.526 1.00 0.00 C ATOM 415 CZ TYR A 26 -1.790 8.175 -2.084 1.00 0.00 C ATOM 416 OH TYR A 26 -1.417 9.459 -1.752 1.00 0.00 O ATOM 0 H TYR A 26 -1.332 2.089 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.425 3.559 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.290 3.869 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.963 4.290 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.519 6.219 -2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.476 5.306 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.852 8.504 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.194 7.576 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.450 9.562 -1.877 1.00 0.00 H new ATOM 426 N VAL A 27 -4.860 1.561 -1.762 1.00 0.00 N ATOM 427 CA VAL A 27 -5.826 0.554 -2.142 1.00 0.00 C ATOM 428 C VAL A 27 -7.195 1.204 -2.287 1.00 0.00 C ATOM 429 O VAL A 27 -7.693 1.826 -1.349 1.00 0.00 O ATOM 430 CB VAL A 27 -5.893 -0.600 -1.121 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.480 -1.838 -1.772 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.518 -0.910 -0.540 1.00 0.00 C ATOM 0 H VAL A 27 -4.914 1.863 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.511 0.124 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.538 -0.287 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.523 -2.647 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.486 -1.619 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.854 -2.139 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.601 -1.728 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.840 -1.199 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.128 -0.026 -0.036 1.00 0.00 H new ATOM 442 N SER A 28 -7.790 1.086 -3.468 1.00 0.00 N ATOM 443 CA SER A 28 -9.053 1.756 -3.747 1.00 0.00 C ATOM 444 C SER A 28 -9.979 0.864 -4.570 1.00 0.00 C ATOM 445 O SER A 28 -9.546 -0.155 -5.115 1.00 0.00 O ATOM 446 CB SER A 28 -8.792 3.078 -4.471 1.00 0.00 C ATOM 447 OG SER A 28 -7.880 2.902 -5.545 1.00 0.00 O ATOM 0 H SER A 28 -7.420 0.536 -4.243 1.00 0.00 H new ATOM 0 HA SER A 28 -9.550 1.964 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.732 3.480 -4.850 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.393 3.809 -3.767 1.00 0.00 H new ATOM 0 HG SER A 28 -7.732 3.761 -5.992 1.00 0.00 H new ATOM 453 N GLY A 29 -11.251 1.257 -4.649 1.00 0.00 N ATOM 454 CA GLY A 29 -12.240 0.466 -5.349 1.00 0.00 C ATOM 455 C GLY A 29 -12.718 -0.675 -4.487 1.00 0.00 C ATOM 456 O GLY A 29 -12.193 -1.774 -4.575 1.00 0.00 O ATOM 0 H GLY A 29 -11.611 2.117 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.085 1.096 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.813 0.076 -6.273 1.00 0.00 H new ATOM 460 N PHE A 30 -13.756 -0.429 -3.693 1.00 0.00 N ATOM 461 CA PHE A 30 -14.082 -1.355 -2.609 1.00 0.00 C ATOM 462 C PHE A 30 -15.208 -0.798 -1.751 1.00 0.00 C ATOM 463 O PHE A 30 -15.632 0.338 -1.957 1.00 0.00 O ATOM 464 CB PHE A 30 -12.864 -1.732 -1.755 1.00 0.00 C ATOM 465 CG PHE A 30 -12.295 -0.652 -0.885 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.858 -0.361 0.348 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.154 0.022 -1.271 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.291 0.581 1.176 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.590 0.975 -0.452 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.158 1.251 0.775 1.00 0.00 C ATOM 0 H PHE A 30 -14.372 0.380 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.421 -2.280 -3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.141 -2.572 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.076 -2.083 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.752 -0.879 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.699 -0.200 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.734 0.794 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.705 1.505 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.713 1.993 1.421 1.00 0.00 H new ATOM 480 N HIS A 31 -15.660 -1.599 -0.791 1.00 0.00 N ATOM 481 CA HIS A 31 -16.589 -1.166 0.256 1.00 0.00 C ATOM 482 C HIS A 31 -16.489 -2.184 1.388 1.00 0.00 C ATOM 483 O HIS A 31 -16.024 -3.293 1.148 1.00 0.00 O ATOM 484 CB HIS A 31 -18.063 -1.047 -0.219 1.00 0.00 C ATOM 485 CG HIS A 31 -18.391 0.226 -0.946 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.580 1.408 -0.269 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.560 0.447 -2.275 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.856 2.315 -1.192 1.00 0.00 C ATOM 489 NE2 HIS A 31 -18.855 1.779 -2.419 1.00 0.00 N ATOM 0 H HIS A 31 -15.390 -2.580 -0.714 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.306 -0.162 0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.288 -1.890 -0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.717 -1.132 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.478 -0.284 -3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.057 3.355 -0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.039 2.268 -3.295 1.00 0.00 H new ATOM 497 N PRO A 32 -16.879 -1.868 2.635 1.00 0.00 N ATOM 498 CA PRO A 32 -17.364 -0.546 3.064 1.00 0.00 C ATOM 499 C PRO A 32 -16.239 0.493 3.135 1.00 0.00 C ATOM 500 O PRO A 32 -15.222 0.361 2.460 1.00 0.00 O ATOM 501 CB PRO A 32 -17.918 -0.809 4.476 1.00 0.00 C ATOM 502 CG PRO A 32 -17.988 -2.292 4.610 1.00 0.00 C ATOM 503 CD PRO A 32 -16.890 -2.823 3.746 1.00 0.00 C ATOM 0 HA PRO A 32 -18.095 -0.139 2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.270 -0.377 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.902 -0.357 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.855 -2.599 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.958 -2.670 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.935 -2.848 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.094 -3.839 3.407 1.00 0.00 H new ATOM 511 N SER A 33 -16.441 1.526 3.945 1.00 0.00 N ATOM 512 CA SER A 33 -15.413 2.562 4.181 1.00 0.00 C ATOM 513 C SER A 33 -14.104 2.010 4.778 1.00 0.00 C ATOM 514 O SER A 33 -13.216 2.786 5.146 1.00 0.00 O ATOM 515 CB SER A 33 -15.956 3.630 5.132 1.00 0.00 C ATOM 516 OG SER A 33 -17.184 4.163 4.667 1.00 0.00 O ATOM 0 H SER A 33 -17.310 1.679 4.458 1.00 0.00 H new ATOM 0 HA SER A 33 -15.181 2.978 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.097 3.198 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.226 4.432 5.235 1.00 0.00 H new ATOM 0 HG SER A 33 -17.062 4.526 3.765 1.00 0.00 H new ATOM 522 N ASP A 34 -13.969 0.695 4.879 1.00 0.00 N ATOM 523 CA ASP A 34 -12.803 0.112 5.529 1.00 0.00 C ATOM 524 C ASP A 34 -12.194 -1.021 4.708 1.00 0.00 C ATOM 525 O ASP A 34 -12.896 -1.918 4.235 1.00 0.00 O ATOM 526 CB ASP A 34 -13.158 -0.408 6.927 1.00 0.00 C ATOM 527 CG ASP A 34 -13.440 0.708 7.914 1.00 0.00 C ATOM 528 OD1 ASP A 34 -12.476 1.267 8.478 1.00 0.00 O ATOM 529 OD2 ASP A 34 -14.625 1.030 8.133 1.00 0.00 O ATOM 0 H ASP A 34 -14.644 0.018 4.524 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.063 0.908 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.032 -1.055 6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.337 -1.020 7.302 1.00 0.00 H new ATOM 534 N ILE A 35 -10.879 -0.962 4.550 1.00 0.00 N ATOM 535 CA ILE A 35 -10.100 -2.053 3.974 1.00 0.00 C ATOM 536 C ILE A 35 -8.865 -2.232 4.840 1.00 0.00 C ATOM 537 O ILE A 35 -8.436 -1.281 5.495 1.00 0.00 O ATOM 538 CB ILE A 35 -9.659 -1.799 2.504 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.236 -3.128 1.862 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.511 -0.799 2.447 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.229 -3.008 0.738 1.00 0.00 C ATOM 0 H ILE A 35 -10.319 -0.153 4.818 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.731 -2.942 3.952 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.500 -1.379 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.817 -3.770 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.126 -3.628 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.220 -0.638 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.830 0.147 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.660 -1.189 3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.995 -4.000 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.647 -2.396 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.318 -2.541 1.114 1.00 0.00 H new ATOM 553 N GLU A 36 -8.287 -3.418 4.871 1.00 0.00 N ATOM 554 CA GLU A 36 -7.138 -3.665 5.724 1.00 0.00 C ATOM 555 C GLU A 36 -5.943 -4.022 4.850 1.00 0.00 C ATOM 556 O GLU A 36 -5.944 -5.064 4.184 1.00 0.00 O ATOM 557 CB GLU A 36 -7.425 -4.823 6.679 1.00 0.00 C ATOM 558 CG GLU A 36 -6.902 -4.609 8.091 1.00 0.00 C ATOM 559 CD GLU A 36 -7.689 -3.552 8.835 1.00 0.00 C ATOM 560 OE1 GLU A 36 -8.774 -3.877 9.361 1.00 0.00 O ATOM 561 OE2 GLU A 36 -7.241 -2.392 8.889 1.00 0.00 O ATOM 0 H GLU A 36 -8.591 -4.221 4.320 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.926 -2.770 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.502 -4.985 6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.982 -5.733 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.948 -5.549 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.853 -4.316 8.048 1.00 0.00 H new ATOM 568 N VAL A 37 -4.940 -3.165 4.838 1.00 0.00 N ATOM 569 CA VAL A 37 -3.761 -3.393 4.014 1.00 0.00 C ATOM 570 C VAL A 37 -2.485 -3.253 4.839 1.00 0.00 C ATOM 571 O VAL A 37 -2.315 -2.313 5.611 1.00 0.00 O ATOM 572 CB VAL A 37 -3.742 -2.488 2.742 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.781 -1.399 2.854 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.365 -1.883 2.450 1.00 0.00 C ATOM 0 H VAL A 37 -4.915 -2.306 5.387 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.809 -4.420 3.652 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.981 -3.136 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.754 -0.777 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.769 -1.848 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.571 -0.784 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.422 -1.265 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.051 -1.269 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.642 -2.683 2.294 1.00 0.00 H new ATOM 584 N ASP A 38 -1.618 -4.229 4.665 1.00 0.00 N ATOM 585 CA ASP A 38 -0.387 -4.339 5.432 1.00 0.00 C ATOM 586 C ASP A 38 0.804 -4.362 4.483 1.00 0.00 C ATOM 587 O ASP A 38 0.728 -4.949 3.404 1.00 0.00 O ATOM 588 CB ASP A 38 -0.404 -5.616 6.291 1.00 0.00 C ATOM 589 CG ASP A 38 -1.459 -5.612 7.380 1.00 0.00 C ATOM 590 OD1 ASP A 38 -1.281 -4.904 8.388 1.00 0.00 O ATOM 591 OD2 ASP A 38 -2.445 -6.375 7.252 1.00 0.00 O ATOM 0 H ASP A 38 -1.746 -4.976 3.982 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.303 -3.478 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.569 -6.476 5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.576 -5.746 6.749 1.00 0.00 H new ATOM 596 N LEU A 39 1.902 -3.734 4.873 1.00 0.00 N ATOM 597 CA LEU A 39 3.070 -3.647 4.006 1.00 0.00 C ATOM 598 C LEU A 39 4.069 -4.738 4.373 1.00 0.00 C ATOM 599 O LEU A 39 4.184 -5.119 5.538 1.00 0.00 O ATOM 600 CB LEU A 39 3.740 -2.278 4.129 1.00 0.00 C ATOM 601 CG LEU A 39 2.829 -1.055 4.015 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.650 0.221 4.146 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.057 -1.058 2.711 1.00 0.00 C ATOM 0 H LEU A 39 2.011 -3.279 5.779 1.00 0.00 H new ATOM 0 HA LEU A 39 2.741 -3.782 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.250 -2.234 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.507 -2.204 3.358 1.00 0.00 H new ATOM 0 HG LEU A 39 2.103 -1.097 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.993 1.087 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.149 0.235 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.397 0.256 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.420 -0.175 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.756 -1.047 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.439 -1.954 2.656 1.00 0.00 H new ATOM 615 N LEU A 40 4.763 -5.253 3.372 1.00 0.00 N ATOM 616 CA LEU A 40 5.713 -6.335 3.568 1.00 0.00 C ATOM 617 C LEU A 40 7.151 -5.929 3.277 1.00 0.00 C ATOM 618 O LEU A 40 7.439 -4.825 2.826 1.00 0.00 O ATOM 619 CB LEU A 40 5.388 -7.534 2.685 1.00 0.00 C ATOM 620 CG LEU A 40 3.916 -7.893 2.552 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.747 -8.989 1.514 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.371 -8.334 3.895 1.00 0.00 C ATOM 0 H LEU A 40 4.685 -4.935 2.406 1.00 0.00 H new ATOM 0 HA LEU A 40 5.623 -6.597 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.785 -7.342 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.918 -8.402 3.078 1.00 0.00 H new ATOM 0 HG LEU A 40 3.356 -7.017 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.691 -9.243 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.121 -8.640 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.307 -9.872 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.316 -8.590 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.924 -9.206 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.480 -7.524 4.616 1.00 0.00 H new ATOM 634 N LYS A 41 8.018 -6.902 3.513 1.00 0.00 N ATOM 635 CA LYS A 41 9.440 -6.801 3.245 1.00 0.00 C ATOM 636 C LYS A 41 9.953 -8.161 2.850 1.00 0.00 C ATOM 637 O LYS A 41 10.165 -9.026 3.697 1.00 0.00 O ATOM 638 CB LYS A 41 10.223 -6.293 4.438 1.00 0.00 C ATOM 639 CG LYS A 41 9.767 -4.912 4.886 1.00 0.00 C ATOM 640 CD LYS A 41 10.769 -4.220 5.833 1.00 0.00 C ATOM 641 CE LYS A 41 10.784 -4.848 7.220 1.00 0.00 C ATOM 642 NZ LYS A 41 11.757 -5.968 7.325 1.00 0.00 N ATOM 0 H LYS A 41 7.744 -7.803 3.905 1.00 0.00 H new ATOM 0 HA LYS A 41 9.579 -6.079 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.115 -6.994 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.283 -6.259 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.613 -4.284 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.803 -4.999 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.769 -4.273 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.515 -3.164 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.031 -4.085 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.786 -5.214 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.842 -6.262 8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.425 -6.771 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.685 -5.655 6.976 1.00 0.00 H new ATOM 656 N ASN A 42 10.097 -8.345 1.555 1.00 0.00 N ATOM 657 CA ASN A 42 10.531 -9.618 0.959 1.00 0.00 C ATOM 658 C ASN A 42 9.466 -10.711 1.124 1.00 0.00 C ATOM 659 O ASN A 42 9.486 -11.722 0.423 1.00 0.00 O ATOM 660 CB ASN A 42 11.867 -10.089 1.567 1.00 0.00 C ATOM 661 CG ASN A 42 13.004 -9.111 1.332 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.253 -8.248 2.308 1.00 0.00 O flip ATOM 663 ND2 ASN A 42 13.670 -9.150 0.299 1.00 0.00 N flip ATOM 0 H ASN A 42 9.917 -7.614 0.867 1.00 0.00 H new ATOM 0 HA ASN A 42 10.675 -9.439 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.739 -10.238 2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.133 -11.056 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.445 -9.830 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.447 -8.503 0.169 1.00 0.00 H new ATOM 670 N GLY A 43 8.553 -10.504 2.066 1.00 0.00 N ATOM 671 CA GLY A 43 7.481 -11.449 2.315 1.00 0.00 C ATOM 672 C GLY A 43 7.024 -11.409 3.762 1.00 0.00 C ATOM 673 O GLY A 43 6.080 -12.098 4.150 1.00 0.00 O ATOM 0 H GLY A 43 8.538 -9.683 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.639 -11.225 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.818 -12.456 2.067 1.00 0.00 H new ATOM 677 N GLU A 44 7.700 -10.590 4.555 1.00 0.00 N ATOM 678 CA GLU A 44 7.405 -10.457 5.970 1.00 0.00 C ATOM 679 C GLU A 44 6.638 -9.172 6.216 1.00 0.00 C ATOM 680 O GLU A 44 6.740 -8.235 5.436 1.00 0.00 O ATOM 681 CB GLU A 44 8.712 -10.430 6.745 1.00 0.00 C ATOM 682 CG GLU A 44 9.435 -9.096 6.670 1.00 0.00 C ATOM 683 CD GLU A 44 10.769 -9.099 7.376 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.821 -9.502 8.557 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.766 -8.667 6.768 1.00 0.00 O ATOM 0 H GLU A 44 8.468 -10.000 4.233 1.00 0.00 H new ATOM 0 HA GLU A 44 6.798 -11.300 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.510 -10.666 7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.368 -11.212 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.586 -8.831 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.803 -8.323 7.106 1.00 0.00 H new ATOM 692 N ARG A 45 5.862 -9.136 7.279 1.00 0.00 N ATOM 693 CA ARG A 45 5.111 -7.931 7.620 1.00 0.00 C ATOM 694 C ARG A 45 6.019 -6.816 8.130 1.00 0.00 C ATOM 695 O ARG A 45 7.057 -7.067 8.745 1.00 0.00 O ATOM 696 CB ARG A 45 4.041 -8.218 8.699 1.00 0.00 C ATOM 697 CG ARG A 45 2.640 -8.539 8.204 1.00 0.00 C ATOM 698 CD ARG A 45 1.564 -8.123 9.216 1.00 0.00 C ATOM 699 NE ARG A 45 0.224 -8.093 8.626 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.722 -9.004 8.854 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.462 -10.078 9.589 1.00 0.00 N ATOM 702 NH2 ARG A 45 -1.936 -8.831 8.352 1.00 0.00 N ATOM 0 H ARG A 45 5.731 -9.917 7.922 1.00 0.00 H new ATOM 0 HA ARG A 45 4.629 -7.608 6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.387 -9.054 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.979 -7.350 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.464 -8.028 7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.560 -9.608 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.572 -8.817 10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.805 -7.137 9.614 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.001 -7.322 7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.468 -10.212 9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.193 -10.769 9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.144 -8.003 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.663 -9.526 8.524 1.00 0.00 H new ATOM 716 N ILE A 46 5.610 -5.583 7.858 1.00 0.00 N ATOM 717 CA ILE A 46 6.218 -4.410 8.453 1.00 0.00 C ATOM 718 C ILE A 46 5.339 -3.947 9.597 1.00 0.00 C ATOM 719 O ILE A 46 4.113 -3.978 9.493 1.00 0.00 O ATOM 720 CB ILE A 46 6.342 -3.241 7.456 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.087 -3.658 6.203 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.048 -2.054 8.106 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.116 -2.567 5.148 1.00 0.00 C ATOM 0 H ILE A 46 4.845 -5.373 7.217 1.00 0.00 H new ATOM 0 HA ILE A 46 7.219 -4.687 8.782 1.00 0.00 H new ATOM 0 HB ILE A 46 5.332 -2.945 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.109 -3.930 6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.618 -4.549 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.126 -1.239 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.476 -1.720 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.046 -2.354 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.662 -2.921 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.096 -2.312 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.611 -1.684 5.552 1.00 0.00 H new ATOM 735 N GLU A 47 5.946 -3.520 10.679 1.00 0.00 N ATOM 736 CA GLU A 47 5.172 -3.043 11.818 1.00 0.00 C ATOM 737 C GLU A 47 5.218 -1.522 11.932 1.00 0.00 C ATOM 738 O GLU A 47 4.267 -0.903 12.399 1.00 0.00 O ATOM 739 CB GLU A 47 5.613 -3.734 13.121 1.00 0.00 C ATOM 740 CG GLU A 47 7.091 -3.965 13.271 1.00 0.00 C ATOM 741 CD GLU A 47 7.851 -2.731 13.674 1.00 0.00 C ATOM 742 OE1 GLU A 47 9.010 -2.580 13.243 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.293 -1.903 14.417 1.00 0.00 O ATOM 0 H GLU A 47 6.958 -3.490 10.802 1.00 0.00 H new ATOM 0 HA GLU A 47 4.130 -3.314 11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.271 -3.132 13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.105 -4.696 13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.256 -4.744 14.016 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.491 -4.337 12.328 1.00 0.00 H new ATOM 750 N LYS A 48 6.324 -0.923 11.502 1.00 0.00 N ATOM 751 CA LYS A 48 6.471 0.532 11.470 1.00 0.00 C ATOM 752 C LYS A 48 5.529 1.216 10.468 1.00 0.00 C ATOM 753 O LYS A 48 5.620 2.426 10.255 1.00 0.00 O ATOM 754 CB LYS A 48 7.921 0.859 11.129 1.00 0.00 C ATOM 755 CG LYS A 48 8.911 0.169 12.048 1.00 0.00 C ATOM 756 CD LYS A 48 9.497 1.130 13.064 1.00 0.00 C ATOM 757 CE LYS A 48 9.961 0.424 14.332 1.00 0.00 C ATOM 758 NZ LYS A 48 8.818 0.032 15.192 1.00 0.00 N ATOM 0 H LYS A 48 7.143 -1.429 11.166 1.00 0.00 H new ATOM 0 HA LYS A 48 6.198 0.917 12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.122 0.565 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.069 1.937 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.415 -0.651 12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.714 -0.268 11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.339 1.658 12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.750 1.881 13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.536 -0.463 14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.628 1.081 14.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.170 -0.490 16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.314 0.884 15.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.168 -0.574 14.651 1.00 0.00 H new ATOM 772 N VAL A 49 4.659 0.441 9.837 1.00 0.00 N ATOM 773 CA VAL A 49 3.640 0.985 8.946 1.00 0.00 C ATOM 774 C VAL A 49 2.640 1.839 9.713 1.00 0.00 C ATOM 775 O VAL A 49 2.263 1.514 10.839 1.00 0.00 O ATOM 776 CB VAL A 49 2.869 -0.133 8.222 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.844 0.448 7.260 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.835 -1.047 7.496 1.00 0.00 C ATOM 0 H VAL A 49 4.637 -0.575 9.926 1.00 0.00 H new ATOM 0 HA VAL A 49 4.163 1.598 8.212 1.00 0.00 H new ATOM 0 HB VAL A 49 2.330 -0.719 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.313 -0.363 6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.133 1.062 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.351 1.062 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.279 -1.834 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.400 -0.471 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.522 -1.494 8.214 1.00 0.00 H new ATOM 788 N GLU A 50 2.219 2.933 9.101 1.00 0.00 N ATOM 789 CA GLU A 50 1.209 3.785 9.686 1.00 0.00 C ATOM 790 C GLU A 50 0.173 4.175 8.644 1.00 0.00 C ATOM 791 O GLU A 50 0.480 4.330 7.459 1.00 0.00 O ATOM 792 CB GLU A 50 1.832 5.051 10.273 1.00 0.00 C ATOM 793 CG GLU A 50 2.876 4.794 11.341 1.00 0.00 C ATOM 794 CD GLU A 50 3.461 6.079 11.881 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.755 6.784 12.631 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.628 6.392 11.558 1.00 0.00 O ATOM 0 H GLU A 50 2.566 3.249 8.195 1.00 0.00 H new ATOM 0 HA GLU A 50 0.727 3.224 10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.288 5.625 9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.040 5.669 10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.428 4.228 12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.674 4.178 10.927 1.00 0.00 H new ATOM 803 N HIS A 51 -1.053 4.315 9.098 1.00 0.00 N ATOM 804 CA HIS A 51 -2.120 4.856 8.274 1.00 0.00 C ATOM 805 C HIS A 51 -2.511 6.236 8.795 1.00 0.00 C ATOM 806 O HIS A 51 -2.753 6.415 9.991 1.00 0.00 O ATOM 807 CB HIS A 51 -3.336 3.916 8.226 1.00 0.00 C ATOM 808 CG HIS A 51 -3.870 3.488 9.569 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.004 4.055 10.102 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.405 2.545 10.429 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.203 3.452 11.262 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.260 2.531 11.500 1.00 0.00 N ATOM 0 H HIS A 51 -1.341 4.060 10.043 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.756 4.949 7.251 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.136 4.411 7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.064 3.025 7.660 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.530 1.926 10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.021 3.674 11.932 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.191 1.932 12.323 1.00 0.00 H new ATOM 820 N SER A 52 -2.508 7.217 7.905 1.00 0.00 N ATOM 821 CA SER A 52 -2.823 8.589 8.279 1.00 0.00 C ATOM 822 C SER A 52 -4.335 8.783 8.371 1.00 0.00 C ATOM 823 O SER A 52 -5.085 7.808 8.432 1.00 0.00 O ATOM 824 CB SER A 52 -2.216 9.557 7.253 1.00 0.00 C ATOM 825 OG SER A 52 -2.280 10.903 7.699 1.00 0.00 O ATOM 0 H SER A 52 -2.291 7.089 6.917 1.00 0.00 H new ATOM 0 HA SER A 52 -2.394 8.798 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.177 9.285 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.746 9.462 6.305 1.00 0.00 H new ATOM 0 HG SER A 52 -1.884 11.491 7.023 1.00 0.00 H new ATOM 831 N ASP A 53 -4.769 10.035 8.389 1.00 0.00 N ATOM 832 CA ASP A 53 -6.186 10.356 8.436 1.00 0.00 C ATOM 833 C ASP A 53 -6.898 9.696 7.268 1.00 0.00 C ATOM 834 O ASP A 53 -6.506 9.903 6.121 1.00 0.00 O ATOM 835 CB ASP A 53 -6.386 11.869 8.384 1.00 0.00 C ATOM 836 CG ASP A 53 -7.809 12.288 8.694 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.120 12.507 9.886 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.616 12.422 7.754 1.00 0.00 O ATOM 0 H ASP A 53 -4.155 10.849 8.372 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.605 9.981 9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.710 12.344 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.114 12.232 7.393 1.00 0.00 H new ATOM 843 N LEU A 54 -7.915 8.890 7.590 1.00 0.00 N ATOM 844 CA LEU A 54 -8.648 8.072 6.610 1.00 0.00 C ATOM 845 C LEU A 54 -8.857 8.824 5.293 1.00 0.00 C ATOM 846 O LEU A 54 -8.036 8.713 4.384 1.00 0.00 O ATOM 847 CB LEU A 54 -9.998 7.619 7.211 1.00 0.00 C ATOM 848 CG LEU A 54 -10.657 6.370 6.593 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.231 6.653 5.214 1.00 0.00 C ATOM 850 CD2 LEU A 54 -9.664 5.225 6.521 1.00 0.00 C ATOM 0 H LEU A 54 -8.258 8.784 8.545 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.049 7.190 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.849 7.432 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.701 8.448 7.128 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.484 6.086 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.685 5.746 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.987 7.435 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.433 6.981 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.147 4.352 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.815 5.518 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.316 4.981 7.525 1.00 0.00 H new ATOM 862 N SER A 55 -9.962 9.563 5.210 1.00 0.00 N ATOM 863 CA SER A 55 -10.278 10.438 4.079 1.00 0.00 C ATOM 864 C SER A 55 -11.704 10.941 4.219 1.00 0.00 C ATOM 865 O SER A 55 -12.438 10.525 5.120 1.00 0.00 O ATOM 866 CB SER A 55 -10.144 9.730 2.720 1.00 0.00 C ATOM 867 OG SER A 55 -8.814 9.766 2.238 1.00 0.00 O ATOM 0 H SER A 55 -10.676 9.572 5.938 1.00 0.00 H new ATOM 0 HA SER A 55 -9.560 11.258 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.468 8.694 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.806 10.205 1.996 1.00 0.00 H new ATOM 0 HG SER A 55 -8.211 9.389 2.913 1.00 0.00 H new ATOM 873 N PHE A 56 -12.083 11.845 3.339 1.00 0.00 N ATOM 874 CA PHE A 56 -13.479 12.201 3.176 1.00 0.00 C ATOM 875 C PHE A 56 -13.797 12.320 1.697 1.00 0.00 C ATOM 876 O PHE A 56 -13.280 13.201 1.012 1.00 0.00 O ATOM 877 CB PHE A 56 -13.834 13.500 3.910 1.00 0.00 C ATOM 878 CG PHE A 56 -15.302 13.814 3.860 1.00 0.00 C ATOM 879 CD1 PHE A 56 -15.784 14.803 3.021 1.00 0.00 C ATOM 880 CD2 PHE A 56 -16.199 13.111 4.646 1.00 0.00 C ATOM 881 CE1 PHE A 56 -17.136 15.085 2.967 1.00 0.00 C ATOM 882 CE2 PHE A 56 -17.551 13.389 4.597 1.00 0.00 C ATOM 883 CZ PHE A 56 -18.018 14.377 3.755 1.00 0.00 C ATOM 0 H PHE A 56 -11.443 12.348 2.724 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.085 11.412 3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.519 13.422 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -13.275 14.326 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -15.097 15.360 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.837 12.336 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -17.501 15.859 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -18.241 12.834 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 56 -19.075 14.596 3.713 1.00 0.00 H new ATOM 893 N SER A 57 -14.620 11.412 1.203 1.00 0.00 N ATOM 894 CA SER A 57 -14.982 11.409 -0.199 1.00 0.00 C ATOM 895 C SER A 57 -16.370 12.010 -0.369 1.00 0.00 C ATOM 896 O SER A 57 -17.323 11.612 0.304 1.00 0.00 O ATOM 897 CB SER A 57 -14.939 9.981 -0.748 1.00 0.00 C ATOM 898 OG SER A 57 -15.018 9.968 -2.161 1.00 0.00 O ATOM 0 H SER A 57 -15.049 10.668 1.754 1.00 0.00 H new ATOM 0 HA SER A 57 -14.268 12.013 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.017 9.495 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.764 9.404 -0.331 1.00 0.00 H new ATOM 0 HG SER A 57 -14.682 9.112 -2.500 1.00 0.00 H new ATOM 904 N LYS A 58 -16.459 12.982 -1.260 1.00 0.00 N ATOM 905 CA LYS A 58 -17.696 13.712 -1.492 1.00 0.00 C ATOM 906 C LYS A 58 -18.719 12.890 -2.269 1.00 0.00 C ATOM 907 O LYS A 58 -19.914 12.960 -1.984 1.00 0.00 O ATOM 908 CB LYS A 58 -17.401 15.011 -2.240 1.00 0.00 C ATOM 909 CG LYS A 58 -16.486 15.964 -1.482 1.00 0.00 C ATOM 910 CD LYS A 58 -17.167 16.528 -0.244 1.00 0.00 C ATOM 911 CE LYS A 58 -18.393 17.352 -0.607 1.00 0.00 C ATOM 912 NZ LYS A 58 -18.057 18.485 -1.511 1.00 0.00 N ATOM 0 H LYS A 58 -15.679 13.288 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.129 13.933 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.944 14.771 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.342 15.518 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.576 15.440 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.187 16.782 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.459 15.711 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.462 17.148 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.131 16.711 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.852 17.738 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.862 19.142 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.222 18.985 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.852 18.120 -2.463 1.00 0.00 H new ATOM 926 N ASP A 59 -18.267 12.116 -3.250 1.00 0.00 N ATOM 927 CA ASP A 59 -19.189 11.390 -4.112 1.00 0.00 C ATOM 928 C ASP A 59 -18.757 9.945 -4.328 1.00 0.00 C ATOM 929 O ASP A 59 -19.580 9.029 -4.282 1.00 0.00 O ATOM 930 CB ASP A 59 -19.310 12.100 -5.465 1.00 0.00 C ATOM 931 CG ASP A 59 -20.212 11.364 -6.436 1.00 0.00 C ATOM 932 OD1 ASP A 59 -21.441 11.584 -6.399 1.00 0.00 O ATOM 933 OD2 ASP A 59 -19.697 10.574 -7.254 1.00 0.00 O ATOM 0 H ASP A 59 -17.280 11.977 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.157 11.375 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.697 13.107 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.318 12.205 -5.905 1.00 0.00 H new ATOM 938 N TRP A 60 -17.470 9.741 -4.564 1.00 0.00 N ATOM 939 CA TRP A 60 -16.963 8.427 -4.934 1.00 0.00 C ATOM 940 C TRP A 60 -16.659 7.571 -3.709 1.00 0.00 C ATOM 941 O TRP A 60 -17.057 7.901 -2.589 1.00 0.00 O ATOM 942 CB TRP A 60 -15.698 8.568 -5.786 1.00 0.00 C ATOM 943 CG TRP A 60 -15.911 9.335 -7.054 1.00 0.00 C ATOM 944 CD1 TRP A 60 -16.348 8.838 -8.245 1.00 0.00 C ATOM 945 CD2 TRP A 60 -15.693 10.736 -7.256 1.00 0.00 C ATOM 946 NE1 TRP A 60 -16.415 9.844 -9.176 1.00 0.00 N ATOM 947 CE2 TRP A 60 -16.022 11.018 -8.594 1.00 0.00 C ATOM 948 CE3 TRP A 60 -15.253 11.777 -6.435 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -15.922 12.297 -9.133 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -15.157 13.050 -6.964 1.00 0.00 C ATOM 951 CH2 TRP A 60 -15.494 13.302 -8.311 1.00 0.00 C ATOM 0 H TRP A 60 -16.757 10.468 -4.506 1.00 0.00 H new ATOM 0 HA TRP A 60 -17.742 7.929 -5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -14.927 9.064 -5.197 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -15.323 7.574 -6.031 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -16.604 7.805 -8.429 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -16.710 9.734 -10.146 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -14.992 11.590 -5.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -16.174 12.489 -10.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -14.820 13.863 -6.338 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -15.412 14.306 -8.699 1.00 0.00 H new ATOM 962 N SER A 61 -15.951 6.473 -3.934 1.00 0.00 N ATOM 963 CA SER A 61 -15.536 5.587 -2.860 1.00 0.00 C ATOM 964 C SER A 61 -14.556 6.299 -1.929 1.00 0.00 C ATOM 965 O SER A 61 -13.912 7.279 -2.312 1.00 0.00 O ATOM 966 CB SER A 61 -14.893 4.325 -3.458 1.00 0.00 C ATOM 967 OG SER A 61 -15.855 3.549 -4.159 1.00 0.00 O ATOM 0 H SER A 61 -15.650 6.174 -4.862 1.00 0.00 H new ATOM 0 HA SER A 61 -16.409 5.299 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.086 4.609 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.447 3.727 -2.663 1.00 0.00 H new ATOM 0 HG SER A 61 -15.606 2.602 -4.116 1.00 0.00 H new ATOM 973 N PHE A 62 -14.468 5.814 -0.700 1.00 0.00 N ATOM 974 CA PHE A 62 -13.574 6.390 0.291 1.00 0.00 C ATOM 975 C PHE A 62 -12.158 5.884 0.059 1.00 0.00 C ATOM 976 O PHE A 62 -11.958 4.787 -0.464 1.00 0.00 O ATOM 977 CB PHE A 62 -14.043 6.032 1.711 1.00 0.00 C ATOM 978 CG PHE A 62 -15.511 6.281 1.978 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.933 7.424 2.649 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.470 5.360 1.573 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.279 7.639 2.907 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.814 5.574 1.827 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.216 6.714 2.494 1.00 0.00 C ATOM 0 H PHE A 62 -15.009 5.017 -0.364 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.586 7.475 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.829 4.979 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.456 6.606 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.204 8.152 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.162 4.465 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.593 8.530 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.547 4.850 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.264 6.882 2.693 1.00 0.00 H new ATOM 993 N TYR A 63 -11.183 6.690 0.441 1.00 0.00 N ATOM 994 CA TYR A 63 -9.789 6.377 0.178 1.00 0.00 C ATOM 995 C TYR A 63 -9.073 6.055 1.486 1.00 0.00 C ATOM 996 O TYR A 63 -9.422 6.594 2.533 1.00 0.00 O ATOM 997 CB TYR A 63 -9.124 7.571 -0.527 1.00 0.00 C ATOM 998 CG TYR A 63 -9.960 8.142 -1.654 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.077 7.477 -2.869 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.644 9.341 -1.496 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.851 7.993 -3.893 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -11.417 9.861 -2.516 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.517 9.184 -3.711 1.00 0.00 C ATOM 1004 OH TYR A 63 -12.294 9.698 -4.726 1.00 0.00 O ATOM 0 H TYR A 63 -11.332 7.569 0.936 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.724 5.504 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.930 8.355 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.158 7.258 -0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.555 6.543 -3.016 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.570 9.875 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.932 7.464 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.941 10.795 -2.377 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.696 10.543 -4.435 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.092 5.163 1.428 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.324 4.800 2.612 1.00 0.00 C ATOM 1016 C LEU A 64 -5.865 4.564 2.247 1.00 0.00 C ATOM 1017 O LEU A 64 -5.555 3.884 1.268 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.981 3.581 3.291 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.178 2.846 4.371 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.132 2.257 5.397 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.347 1.742 3.741 1.00 0.00 C ATOM 0 H LEU A 64 -7.810 4.679 0.576 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.330 5.619 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.919 3.911 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.234 2.860 2.513 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.508 3.551 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.562 1.734 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.712 3.058 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.807 1.556 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.780 1.226 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.005 1.033 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.658 2.174 3.015 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.977 5.156 3.036 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.558 5.158 2.727 1.00 0.00 C ATOM 1035 C LEU A 65 -2.762 4.435 3.816 1.00 0.00 C ATOM 1036 O LEU A 65 -2.939 4.695 5.006 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.073 6.608 2.605 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.932 6.868 1.611 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.615 8.358 1.546 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.682 6.081 1.980 1.00 0.00 C ATOM 0 H LEU A 65 -5.219 5.643 3.899 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.401 4.632 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.922 7.229 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.750 6.944 3.590 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.263 6.531 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.804 8.527 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.500 8.905 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.313 8.709 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.106 6.289 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.347 6.375 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.908 5.015 1.974 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.884 3.542 3.392 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.961 2.860 4.292 1.00 0.00 C ATOM 1054 C TYR A 66 0.467 3.112 3.833 1.00 0.00 C ATOM 1055 O TYR A 66 0.822 2.805 2.697 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.248 1.360 4.334 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.202 0.925 5.426 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.738 0.644 6.707 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.555 0.753 5.171 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.596 0.202 7.695 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.414 0.317 6.155 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.933 0.038 7.412 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.792 -0.403 8.388 1.00 0.00 O ATOM 0 H TYR A 66 -1.789 3.267 2.414 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.095 3.254 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.658 1.056 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.305 0.828 4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.690 0.774 6.933 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.941 0.965 4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.220 -0.014 8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.465 0.194 5.939 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.699 -0.463 8.022 1.00 0.00 H new ATOM 1073 N TYR A 67 1.276 3.701 4.702 1.00 0.00 N ATOM 1074 CA TYR A 67 2.638 4.064 4.327 1.00 0.00 C ATOM 1075 C TYR A 67 3.625 3.810 5.457 1.00 0.00 C ATOM 1076 O TYR A 67 3.238 3.626 6.610 1.00 0.00 O ATOM 1077 CB TYR A 67 2.706 5.540 3.887 1.00 0.00 C ATOM 1078 CG TYR A 67 2.338 6.551 4.957 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.315 7.118 5.766 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.019 6.954 5.144 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.992 8.054 6.728 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.688 7.890 6.106 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.679 8.437 6.894 1.00 0.00 C ATOM 1084 OH TYR A 67 1.357 9.371 7.853 1.00 0.00 O ATOM 0 H TYR A 67 1.019 3.936 5.661 1.00 0.00 H new ATOM 0 HA TYR A 67 2.921 3.428 3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.717 5.753 3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.041 5.679 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.346 6.821 5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.241 6.528 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.765 8.484 7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.341 8.191 6.240 1.00 0.00 H new ATOM 0 HH TYR A 67 2.111 9.984 7.979 1.00 0.00 H new ATOM 1094 N THR A 68 4.901 3.787 5.106 1.00 0.00 N ATOM 1095 CA THR A 68 5.963 3.615 6.084 1.00 0.00 C ATOM 1096 C THR A 68 7.250 4.277 5.591 1.00 0.00 C ATOM 1097 O THR A 68 7.476 4.399 4.382 1.00 0.00 O ATOM 1098 CB THR A 68 6.218 2.116 6.385 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.120 1.979 7.486 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.783 1.386 5.168 1.00 0.00 C ATOM 0 H THR A 68 5.227 3.886 4.145 1.00 0.00 H new ATOM 0 HA THR A 68 5.644 4.095 7.009 1.00 0.00 H new ATOM 0 HB THR A 68 5.259 1.665 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.674 2.262 8.312 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.949 0.338 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.076 1.455 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.728 1.843 4.876 1.00 0.00 H new ATOM 1108 N GLU A 69 8.063 4.739 6.533 1.00 0.00 N ATOM 1109 CA GLU A 69 9.358 5.322 6.216 1.00 0.00 C ATOM 1110 C GLU A 69 10.406 4.214 6.144 1.00 0.00 C ATOM 1111 O GLU A 69 10.532 3.411 7.070 1.00 0.00 O ATOM 1112 CB GLU A 69 9.740 6.357 7.281 1.00 0.00 C ATOM 1113 CG GLU A 69 10.994 7.152 6.958 1.00 0.00 C ATOM 1114 CD GLU A 69 11.420 8.044 8.102 1.00 0.00 C ATOM 1115 OE1 GLU A 69 11.705 7.514 9.196 1.00 0.00 O ATOM 1116 OE2 GLU A 69 11.492 9.274 7.909 1.00 0.00 O ATOM 0 H GLU A 69 7.845 4.720 7.529 1.00 0.00 H new ATOM 0 HA GLU A 69 9.307 5.826 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.909 7.050 7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.883 5.846 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.804 6.465 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.817 7.761 6.072 1.00 0.00 H new ATOM 1123 N PHE A 70 11.152 4.175 5.052 1.00 0.00 N ATOM 1124 CA PHE A 70 12.072 3.072 4.797 1.00 0.00 C ATOM 1125 C PHE A 70 13.341 3.580 4.117 1.00 0.00 C ATOM 1126 O PHE A 70 13.361 4.690 3.577 1.00 0.00 O ATOM 1127 CB PHE A 70 11.389 1.969 3.958 1.00 0.00 C ATOM 1128 CG PHE A 70 10.995 2.356 2.551 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.731 3.668 2.206 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.885 1.382 1.574 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.372 4.003 0.914 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.524 1.705 0.281 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.268 3.020 -0.053 1.00 0.00 C ATOM 0 H PHE A 70 11.141 4.892 4.327 1.00 0.00 H new ATOM 0 HA PHE A 70 12.356 2.632 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.061 1.113 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.495 1.639 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.806 4.442 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.085 0.351 1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.173 5.033 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.442 0.931 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.988 3.279 -1.063 1.00 0.00 H new ATOM 1143 N THR A 71 14.399 2.786 4.166 1.00 0.00 N ATOM 1144 CA THR A 71 15.629 3.103 3.460 1.00 0.00 C ATOM 1145 C THR A 71 15.897 2.035 2.394 1.00 0.00 C ATOM 1146 O THR A 71 16.585 1.047 2.663 1.00 0.00 O ATOM 1147 CB THR A 71 16.823 3.175 4.437 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.471 3.984 5.571 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.066 3.757 3.763 1.00 0.00 C ATOM 0 H THR A 71 14.429 1.912 4.691 1.00 0.00 H new ATOM 0 HA THR A 71 15.515 4.078 2.985 1.00 0.00 H new ATOM 0 HB THR A 71 17.055 2.160 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.229 4.027 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.886 3.793 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.350 3.129 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.850 4.765 3.409 1.00 0.00 H new ATOM 1157 N PRO A 72 15.315 2.203 1.186 1.00 0.00 N ATOM 1158 CA PRO A 72 15.456 1.250 0.074 1.00 0.00 C ATOM 1159 C PRO A 72 16.900 0.886 -0.235 1.00 0.00 C ATOM 1160 O PRO A 72 17.806 1.712 -0.110 1.00 0.00 O ATOM 1161 CB PRO A 72 14.844 1.992 -1.128 1.00 0.00 C ATOM 1162 CG PRO A 72 14.628 3.400 -0.675 1.00 0.00 C ATOM 1163 CD PRO A 72 14.452 3.331 0.811 1.00 0.00 C ATOM 0 HA PRO A 72 14.972 0.304 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.511 1.957 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.904 1.532 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.478 4.030 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.749 3.834 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.760 4.256 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.413 3.155 1.088 1.00 0.00 H new ATOM 1171 N THR A 73 17.101 -0.358 -0.645 1.00 0.00 N ATOM 1172 CA THR A 73 18.412 -0.856 -0.995 1.00 0.00 C ATOM 1173 C THR A 73 18.322 -1.729 -2.243 1.00 0.00 C ATOM 1174 O THR A 73 17.225 -1.997 -2.739 1.00 0.00 O ATOM 1175 CB THR A 73 19.045 -1.674 0.153 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.284 -2.861 0.390 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.119 -0.868 1.440 1.00 0.00 C ATOM 0 H THR A 73 16.355 -1.047 -0.743 1.00 0.00 H new ATOM 0 HA THR A 73 19.048 0.009 -1.186 1.00 0.00 H new ATOM 0 HB THR A 73 20.058 -1.934 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.694 -3.373 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.570 -1.476 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.726 0.023 1.277 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.114 -0.572 1.742 1.00 0.00 H new ATOM 1185 N GLU A 74 19.466 -2.128 -2.771 1.00 0.00 N ATOM 1186 CA GLU A 74 19.521 -3.058 -3.894 1.00 0.00 C ATOM 1187 C GLU A 74 18.944 -4.418 -3.486 1.00 0.00 C ATOM 1188 O GLU A 74 18.079 -4.980 -4.161 1.00 0.00 O ATOM 1189 CB GLU A 74 20.989 -3.223 -4.324 1.00 0.00 C ATOM 1190 CG GLU A 74 21.209 -3.674 -5.765 1.00 0.00 C ATOM 1191 CD GLU A 74 20.557 -4.999 -6.111 1.00 0.00 C ATOM 1192 OE1 GLU A 74 19.621 -5.014 -6.942 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.988 -6.035 -5.567 1.00 0.00 O ATOM 0 H GLU A 74 20.380 -1.821 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 74 18.930 -2.667 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.500 -2.271 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.464 -3.945 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.824 -2.907 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.280 -3.750 -5.950 1.00 0.00 H new ATOM 1200 N LYS A 75 19.407 -4.908 -2.351 1.00 0.00 N ATOM 1201 CA LYS A 75 19.202 -6.289 -1.961 1.00 0.00 C ATOM 1202 C LYS A 75 17.892 -6.530 -1.213 1.00 0.00 C ATOM 1203 O LYS A 75 17.363 -7.644 -1.246 1.00 0.00 O ATOM 1204 CB LYS A 75 20.393 -6.741 -1.124 1.00 0.00 C ATOM 1205 CG LYS A 75 21.675 -6.884 -1.939 1.00 0.00 C ATOM 1206 CD LYS A 75 22.887 -6.400 -1.171 1.00 0.00 C ATOM 1207 CE LYS A 75 24.158 -6.584 -1.984 1.00 0.00 C ATOM 1208 NZ LYS A 75 25.360 -6.096 -1.257 1.00 0.00 N ATOM 0 H LYS A 75 19.936 -4.359 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 75 19.125 -6.880 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.558 -6.024 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.159 -7.697 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.814 -7.929 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.582 -6.317 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.764 -5.347 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.969 -6.948 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.284 -7.639 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.064 -6.050 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 26.205 -6.240 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 25.252 -5.083 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.465 -6.623 -0.367 1.00 0.00 H new ATOM 1222 N ASP A 76 17.345 -5.518 -0.553 1.00 0.00 N ATOM 1223 CA ASP A 76 16.101 -5.727 0.193 1.00 0.00 C ATOM 1224 C ASP A 76 14.901 -5.353 -0.670 1.00 0.00 C ATOM 1225 O ASP A 76 15.066 -4.791 -1.752 1.00 0.00 O ATOM 1226 CB ASP A 76 16.077 -4.940 1.507 1.00 0.00 C ATOM 1227 CG ASP A 76 15.433 -5.733 2.628 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.999 -6.775 3.028 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.362 -5.326 3.119 1.00 0.00 O ATOM 0 H ASP A 76 17.724 -4.572 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 76 16.047 -6.785 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.095 -4.673 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.532 -4.007 1.362 1.00 0.00 H new ATOM 1234 N GLU A 77 13.699 -5.654 -0.192 1.00 0.00 N ATOM 1235 CA GLU A 77 12.492 -5.479 -0.994 1.00 0.00 C ATOM 1236 C GLU A 77 11.286 -5.291 -0.087 1.00 0.00 C ATOM 1237 O GLU A 77 11.263 -5.805 1.030 1.00 0.00 O ATOM 1238 CB GLU A 77 12.310 -6.702 -1.924 1.00 0.00 C ATOM 1239 CG GLU A 77 10.946 -6.823 -2.623 1.00 0.00 C ATOM 1240 CD GLU A 77 10.022 -7.807 -1.925 1.00 0.00 C ATOM 1241 OE1 GLU A 77 10.060 -9.009 -2.271 1.00 0.00 O ATOM 1242 OE2 GLU A 77 9.255 -7.393 -1.033 1.00 0.00 O ATOM 0 H GLU A 77 13.533 -6.020 0.746 1.00 0.00 H new ATOM 0 HA GLU A 77 12.587 -4.586 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.086 -6.670 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.477 -7.606 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.470 -5.843 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.097 -7.140 -3.655 1.00 0.00 H new ATOM 1249 N TYR A 78 10.299 -4.533 -0.553 1.00 0.00 N ATOM 1250 CA TYR A 78 9.088 -4.326 0.214 1.00 0.00 C ATOM 1251 C TYR A 78 7.866 -4.578 -0.660 1.00 0.00 C ATOM 1252 O TYR A 78 7.912 -4.417 -1.879 1.00 0.00 O ATOM 1253 CB TYR A 78 9.027 -2.909 0.826 1.00 0.00 C ATOM 1254 CG TYR A 78 10.358 -2.344 1.301 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.594 -2.127 2.656 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.368 -2.012 0.404 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.794 -1.600 3.098 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.570 -1.491 0.840 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.779 -1.289 2.186 1.00 0.00 C ATOM 1260 OH TYR A 78 13.971 -0.760 2.619 1.00 0.00 O ATOM 0 H TYR A 78 10.319 -4.056 -1.454 1.00 0.00 H new ATOM 0 HA TYR A 78 9.094 -5.037 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.607 -2.229 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.337 -2.926 1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.827 -2.375 3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.209 -2.165 -0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.958 -1.433 4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.343 -1.243 0.128 1.00 0.00 H new ATOM 0 HH TYR A 78 14.687 -1.020 2.003 1.00 0.00 H new ATOM 1270 N ALA A 79 6.781 -4.978 -0.023 1.00 0.00 N ATOM 1271 CA ALA A 79 5.571 -5.384 -0.742 1.00 0.00 C ATOM 1272 C ALA A 79 4.316 -4.802 -0.103 1.00 0.00 C ATOM 1273 O ALA A 79 4.365 -4.310 1.017 1.00 0.00 O ATOM 1274 CB ALA A 79 5.474 -6.900 -0.801 1.00 0.00 C ATOM 0 H ALA A 79 6.705 -5.033 0.993 1.00 0.00 H new ATOM 0 HA ALA A 79 5.642 -4.991 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.570 -7.186 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.346 -7.300 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.437 -7.302 0.212 1.00 0.00 H new ATOM 1280 N CYS A 80 3.207 -4.820 -0.829 1.00 0.00 N ATOM 1281 CA CYS A 80 1.920 -4.385 -0.299 1.00 0.00 C ATOM 1282 C CYS A 80 0.942 -5.561 -0.283 1.00 0.00 C ATOM 1283 O CYS A 80 0.806 -6.267 -1.283 1.00 0.00 O ATOM 1284 CB CYS A 80 1.342 -3.262 -1.166 1.00 0.00 C ATOM 1285 SG CYS A 80 1.770 -1.586 -0.606 1.00 0.00 S ATOM 0 H CYS A 80 3.173 -5.135 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 80 2.068 -4.016 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.695 -3.391 -2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.257 -3.359 -1.188 1.00 0.00 H new ATOM 1290 N ARG A 81 0.285 -5.783 0.848 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.711 -6.847 0.968 1.00 0.00 C ATOM 1292 C ARG A 81 -2.052 -6.260 1.393 1.00 0.00 C ATOM 1293 O ARG A 81 -2.109 -5.450 2.312 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.269 -7.861 2.019 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.964 -9.211 1.934 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.605 -10.078 3.141 1.00 0.00 C ATOM 1297 NE ARG A 81 0.762 -10.599 3.075 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.294 -11.404 4.004 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.586 -11.751 5.074 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.524 -11.875 3.859 1.00 0.00 N ATOM 0 H ARG A 81 0.423 -5.240 1.700 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.811 -7.337 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.806 -8.015 1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.446 -7.439 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.044 -9.068 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.672 -9.719 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.723 -9.492 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.305 -10.911 3.206 1.00 0.00 H new ATOM 0 HE ARG A 81 1.341 -10.334 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.366 -11.404 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.995 -12.364 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.072 -11.625 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.923 -12.488 4.570 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.126 -6.670 0.739 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.454 -6.211 1.133 1.00 0.00 C ATOM 1316 C VAL A 82 -5.389 -7.384 1.330 1.00 0.00 C ATOM 1317 O VAL A 82 -5.322 -8.390 0.620 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.084 -5.213 0.137 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.026 -4.303 -0.419 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.841 -5.912 -0.975 1.00 0.00 C ATOM 0 H VAL A 82 -3.110 -7.310 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.315 -5.679 2.074 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.814 -4.616 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.480 -3.603 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.558 -3.749 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.271 -4.896 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.266 -5.168 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.160 -6.557 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.643 -6.514 -0.547 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.228 -7.250 2.323 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.219 -8.264 2.639 1.00 0.00 C ATOM 1332 C ASN A 83 -8.608 -7.685 2.463 1.00 0.00 C ATOM 1333 O ASN A 83 -8.918 -6.656 3.072 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.058 -8.732 4.095 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.631 -9.124 4.451 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.253 -10.286 4.362 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.826 -8.156 4.863 1.00 0.00 N ATOM 0 H ASN A 83 -6.250 -6.438 2.940 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.077 -9.112 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.385 -7.935 4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.715 -9.584 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.861 -8.368 5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.171 -7.198 4.926 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.455 -8.307 1.645 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.791 -7.801 1.483 1.00 0.00 C ATOM 1346 C HIS A 84 -11.715 -8.924 1.076 1.00 0.00 C ATOM 1347 O HIS A 84 -11.278 -9.903 0.464 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.800 -6.715 0.412 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.001 -5.827 0.475 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.023 -5.954 -0.430 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.291 -4.820 1.336 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -13.905 -5.033 -0.107 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.507 -4.320 0.955 1.00 0.00 N ATOM 0 H HIS A 84 -9.236 -9.142 1.101 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.134 -7.379 2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.902 -6.106 0.515 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.756 -7.184 -0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.682 -4.479 2.160 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.835 -4.872 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.013 -3.552 1.395 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.981 -8.789 1.421 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.980 -9.652 0.914 1.00 0.00 C ATOM 1363 C VAL A 85 -14.190 -9.295 -0.525 1.00 0.00 C ATOM 1364 O VAL A 85 -14.844 -8.306 -0.846 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.306 -9.541 1.666 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -16.433 -10.075 0.794 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.232 -10.282 2.994 1.00 0.00 C ATOM 0 H VAL A 85 -13.325 -8.073 2.061 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.643 -10.681 1.037 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.508 -8.493 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.378 -9.995 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -16.488 -9.493 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.241 -11.120 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.185 -10.192 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.017 -11.335 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.441 -9.851 3.608 1.00 0.00 H new ATOM 1377 N THR A 86 -13.588 -10.102 -1.342 1.00 0.00 N ATOM 1378 CA THR A 86 -13.621 -10.008 -2.799 1.00 0.00 C ATOM 1379 C THR A 86 -12.537 -10.880 -3.358 1.00 0.00 C ATOM 1380 O THR A 86 -12.753 -11.704 -4.249 1.00 0.00 O ATOM 1381 CB THR A 86 -13.359 -8.607 -3.367 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.451 -7.881 -2.528 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.636 -7.837 -3.565 1.00 0.00 C ATOM 0 H THR A 86 -13.028 -10.888 -1.012 1.00 0.00 H new ATOM 0 HA THR A 86 -14.632 -10.303 -3.080 1.00 0.00 H new ATOM 0 HB THR A 86 -12.899 -8.732 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.959 -7.318 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.407 -6.851 -3.968 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.280 -8.374 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.147 -7.728 -2.609 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.358 -10.670 -2.813 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.183 -11.379 -3.260 1.00 0.00 C ATOM 1393 C LEU A 87 -10.240 -12.802 -2.709 1.00 0.00 C ATOM 1394 O LEU A 87 -10.431 -12.997 -1.507 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.901 -10.662 -2.791 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.666 -9.267 -3.396 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.316 -8.686 -2.966 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.754 -9.332 -4.913 1.00 0.00 C ATOM 0 H LEU A 87 -11.190 -10.009 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.161 -11.406 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.934 -10.568 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.044 -11.292 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.446 -8.605 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.185 -7.700 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.287 -8.599 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.514 -9.345 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.586 -8.339 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.996 -10.018 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.743 -9.686 -5.205 1.00 0.00 H new ATOM 1410 N SER A 88 -10.119 -13.791 -3.594 1.00 0.00 N ATOM 1411 CA SER A 88 -10.142 -15.196 -3.192 1.00 0.00 C ATOM 1412 C SER A 88 -9.028 -15.482 -2.192 1.00 0.00 C ATOM 1413 O SER A 88 -9.088 -16.436 -1.417 1.00 0.00 O ATOM 1414 CB SER A 88 -9.997 -16.086 -4.427 1.00 0.00 C ATOM 1415 OG SER A 88 -8.951 -15.621 -5.269 1.00 0.00 O ATOM 0 H SER A 88 -10.004 -13.644 -4.597 1.00 0.00 H new ATOM 0 HA SER A 88 -11.095 -15.413 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.792 -17.111 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.935 -16.101 -4.981 1.00 0.00 H new ATOM 0 HG SER A 88 -8.876 -16.207 -6.051 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.015 -14.638 -2.243 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.913 -14.655 -1.303 1.00 0.00 C ATOM 1423 C GLN A 89 -6.285 -13.259 -1.291 1.00 0.00 C ATOM 1424 O GLN A 89 -6.211 -12.612 -2.338 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.884 -15.765 -1.704 1.00 0.00 C ATOM 1426 CG GLN A 89 -5.580 -15.826 -3.203 1.00 0.00 C ATOM 1427 CD GLN A 89 -4.604 -14.774 -3.690 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -3.718 -14.343 -2.958 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -4.747 -14.365 -4.945 1.00 0.00 N ATOM 0 H GLN A 89 -7.935 -13.909 -2.952 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.257 -14.896 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.953 -15.595 -1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.267 -16.733 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.180 -16.812 -3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.514 -15.720 -3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.496 -14.746 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.108 -13.670 -5.331 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.918 -12.738 -0.095 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.244 -11.436 0.041 1.00 0.00 C ATOM 1440 C PRO A 90 -4.160 -11.209 -0.994 1.00 0.00 C ATOM 1441 O PRO A 90 -3.348 -12.090 -1.276 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.618 -11.540 1.412 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.624 -12.302 2.192 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.155 -13.353 1.238 1.00 0.00 C ATOM 0 HA PRO A 90 -5.938 -10.606 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.660 -12.058 1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.434 -10.557 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.174 -12.761 3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.424 -11.651 2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.627 -14.301 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.212 -13.556 1.408 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.132 -10.006 -1.516 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.301 -9.689 -2.647 1.00 0.00 C ATOM 1454 C LYS A 91 -1.976 -9.095 -2.213 1.00 0.00 C ATOM 1455 O LYS A 91 -1.936 -8.173 -1.400 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.017 -8.710 -3.565 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.264 -8.467 -4.848 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.202 -9.722 -5.688 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.525 -10.013 -6.375 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.390 -11.096 -7.385 1.00 0.00 N ATOM 0 H LYS A 91 -4.684 -9.222 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.103 -10.618 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.010 -9.094 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.156 -7.763 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.749 -7.671 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.254 -8.127 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.419 -9.617 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.928 -10.567 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.267 -10.300 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.892 -9.107 -6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.312 -11.269 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.700 -10.811 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.064 -11.967 -6.919 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.904 -9.637 -2.756 1.00 0.00 N ATOM 1475 CA ILE A 92 0.427 -9.090 -2.548 1.00 0.00 C ATOM 1476 C ILE A 92 0.960 -8.527 -3.852 1.00 0.00 C ATOM 1477 O ILE A 92 0.895 -9.179 -4.893 1.00 0.00 O ATOM 1478 CB ILE A 92 1.456 -10.132 -2.034 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.079 -10.686 -0.653 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.855 -9.522 -1.986 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.000 -11.745 -0.681 1.00 0.00 C ATOM 0 H ILE A 92 -0.928 -10.465 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 92 0.314 -8.321 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 92 1.447 -10.965 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.971 -11.105 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.746 -9.862 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.564 -10.266 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.146 -9.200 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.855 -8.664 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.206 -12.082 0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.908 -11.328 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.335 -12.590 -1.283 1.00 0.00 H new ATOM 1493 N VAL A 93 1.467 -7.315 -3.789 1.00 0.00 N ATOM 1494 CA VAL A 93 2.163 -6.712 -4.905 1.00 0.00 C ATOM 1495 C VAL A 93 3.488 -6.163 -4.411 1.00 0.00 C ATOM 1496 O VAL A 93 3.539 -5.458 -3.405 1.00 0.00 O ATOM 1497 CB VAL A 93 1.336 -5.588 -5.574 1.00 0.00 C ATOM 1498 CG1 VAL A 93 2.119 -4.930 -6.701 1.00 0.00 C ATOM 1499 CG2 VAL A 93 0.024 -6.144 -6.102 1.00 0.00 C ATOM 0 H VAL A 93 1.408 -6.720 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 93 2.325 -7.478 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 93 1.123 -4.830 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.514 -4.144 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.037 -4.498 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.367 -5.676 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.548 -5.343 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.228 -6.922 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.550 -6.566 -5.277 1.00 0.00 H new ATOM 1509 N LYS A 94 4.551 -6.505 -5.107 1.00 0.00 N ATOM 1510 CA LYS A 94 5.873 -6.092 -4.699 1.00 0.00 C ATOM 1511 C LYS A 94 6.140 -4.684 -5.223 1.00 0.00 C ATOM 1512 O LYS A 94 5.690 -4.324 -6.312 1.00 0.00 O ATOM 1513 CB LYS A 94 6.923 -7.100 -5.179 1.00 0.00 C ATOM 1514 CG LYS A 94 7.784 -6.627 -6.331 1.00 0.00 C ATOM 1515 CD LYS A 94 8.934 -7.593 -6.565 1.00 0.00 C ATOM 1516 CE LYS A 94 10.173 -6.889 -7.098 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.929 -6.218 -8.397 1.00 0.00 N ATOM 0 H LYS A 94 4.524 -7.068 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 94 5.937 -6.068 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.572 -7.353 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.415 -8.017 -5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.180 -6.545 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.174 -5.632 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.178 -8.098 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.623 -8.362 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.510 -6.152 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.978 -7.615 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.594 -5.426 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.068 -6.899 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.954 -5.858 -8.424 1.00 0.00 H new ATOM 1531 N TRP A 95 6.829 -3.884 -4.425 1.00 0.00 N ATOM 1532 CA TRP A 95 7.082 -2.493 -4.770 1.00 0.00 C ATOM 1533 C TRP A 95 8.083 -2.392 -5.913 1.00 0.00 C ATOM 1534 O TRP A 95 9.191 -2.924 -5.839 1.00 0.00 O ATOM 1535 CB TRP A 95 7.588 -1.723 -3.536 1.00 0.00 C ATOM 1536 CG TRP A 95 7.943 -0.297 -3.818 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.079 0.723 -4.079 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.257 0.269 -3.850 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.772 1.887 -4.281 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.110 1.636 -4.145 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.542 -0.248 -3.661 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.197 2.494 -4.253 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.625 0.604 -3.771 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.443 1.966 -4.065 1.00 0.00 C ATOM 0 H TRP A 95 7.224 -4.175 -3.531 1.00 0.00 H new ATOM 0 HA TRP A 95 6.146 -2.044 -5.102 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.821 -1.751 -2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.464 -2.233 -3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.004 0.628 -4.121 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.358 2.794 -4.498 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.686 -1.294 -3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.062 3.542 -4.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.624 0.218 -3.629 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.307 2.609 -4.144 1.00 0.00 H new ATOM 1555 N ASP A 96 7.675 -1.710 -6.971 1.00 0.00 N ATOM 1556 CA ASP A 96 8.535 -1.497 -8.127 1.00 0.00 C ATOM 1557 C ASP A 96 8.628 -0.018 -8.437 1.00 0.00 C ATOM 1558 O ASP A 96 7.645 0.716 -8.340 1.00 0.00 O ATOM 1559 CB ASP A 96 8.045 -2.261 -9.364 1.00 0.00 C ATOM 1560 CG ASP A 96 8.490 -3.707 -9.370 1.00 0.00 C ATOM 1561 OD1 ASP A 96 7.747 -4.575 -8.865 1.00 0.00 O ATOM 1562 OD2 ASP A 96 9.588 -3.988 -9.887 1.00 0.00 O ATOM 0 H ASP A 96 6.748 -1.292 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 96 9.522 -1.884 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.957 -2.220 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.416 -1.767 -10.262 1.00 0.00 H new ATOM 1567 N ARG A 97 9.822 0.410 -8.800 1.00 0.00 N ATOM 1568 CA ARG A 97 10.113 1.821 -8.989 1.00 0.00 C ATOM 1569 C ARG A 97 10.042 2.221 -10.460 1.00 0.00 C ATOM 1570 O ARG A 97 9.566 3.303 -10.795 1.00 0.00 O ATOM 1571 CB ARG A 97 11.500 2.120 -8.404 1.00 0.00 C ATOM 1572 CG ARG A 97 12.617 1.269 -8.995 1.00 0.00 C ATOM 1573 CD ARG A 97 13.647 2.097 -9.743 1.00 0.00 C ATOM 1574 NE ARG A 97 14.442 2.952 -8.866 1.00 0.00 N ATOM 1575 CZ ARG A 97 15.413 3.755 -9.306 1.00 0.00 C ATOM 1576 NH1 ARG A 97 15.618 3.898 -10.611 1.00 0.00 N ATOM 1577 NH2 ARG A 97 16.150 4.441 -8.445 1.00 0.00 N ATOM 0 H ARG A 97 10.616 -0.207 -8.972 1.00 0.00 H new ATOM 0 HA ARG A 97 9.359 2.411 -8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.733 3.172 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.470 1.964 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.111 0.717 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.187 0.531 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.313 1.430 -10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.139 2.717 -10.482 1.00 0.00 H new ATOM 0 HE ARG A 97 14.245 2.935 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.033 3.394 -11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.360 4.512 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.976 4.356 -7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.892 5.054 -8.784 1.00 0.00 H new ATOM 1591 N ASP A 98 10.507 1.338 -11.325 1.00 0.00 N ATOM 1592 CA ASP A 98 10.569 1.622 -12.761 1.00 0.00 C ATOM 1593 C ASP A 98 9.834 0.568 -13.541 1.00 0.00 C ATOM 1594 O ASP A 98 9.660 0.677 -14.756 1.00 0.00 O ATOM 1595 CB ASP A 98 12.012 1.655 -13.251 1.00 0.00 C ATOM 1596 CG ASP A 98 12.721 2.959 -12.950 1.00 0.00 C ATOM 1597 OD1 ASP A 98 12.120 4.031 -13.166 1.00 0.00 O ATOM 1598 OD2 ASP A 98 13.890 2.916 -12.514 1.00 0.00 O ATOM 0 H ASP A 98 10.850 0.413 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 98 10.106 2.596 -12.917 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.563 0.836 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.026 1.482 -14.327 1.00 0.00 H new ATOM 1603 N MET A 99 9.389 -0.447 -12.840 1.00 0.00 N ATOM 1604 CA MET A 99 8.782 -1.595 -13.495 1.00 0.00 C ATOM 1605 C MET A 99 7.266 -1.541 -13.348 1.00 0.00 C ATOM 1606 CB MET A 99 9.326 -2.883 -12.886 1.00 0.00 C ATOM 1607 CG MET A 99 10.820 -2.834 -12.648 1.00 0.00 C ATOM 1608 SD MET A 99 11.761 -2.646 -14.174 1.00 0.00 S ATOM 1609 CE MET A 99 13.433 -2.613 -13.538 1.00 0.00 C ATOM 0 H MET A 99 9.432 -0.508 -11.823 1.00 0.00 H new ATOM 0 HA MET A 99 9.030 -1.573 -14.556 1.00 0.00 H new ATOM 0 HB2 MET A 99 8.818 -3.075 -11.941 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.095 -3.718 -13.547 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.050 -2.005 -11.979 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.134 -3.747 -12.143 1.00 0.00 H new ATOM 0 HE1 MET A 99 14.135 -2.501 -14.365 1.00 0.00 H new ATOM 0 HE2 MET A 99 13.544 -1.774 -12.851 1.00 0.00 H new ATOM 0 HE3 MET A 99 13.640 -3.544 -13.010 1.00 0.00 H new TER 1619 MET A 99