USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 403 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 52 SER OG : rot 83:sc= 1.66 USER MOD Set 1.2: A 54 SER OG : rot 89:sc= 1.56 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -0.679 F(o=1.8,f=2.5) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -143:sc= -1.13 (180deg=-3.24) USER MOD Set 2.2: A 39 SER OG : rot -66:sc= 0.429 USER MOD Set 3.1: A 9 LYS NZ :NH3+ -179:sc= 0.072 (180deg=0.077) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 164:sc= -0.0569 (180deg=-0.419) USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.0152 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -159:sc= 0.379 (180deg=-0.447!) USER MOD Single : A 4 TYR OH : rot -36:sc= 1.52 USER MOD Single : A 8 SER OG : rot -69:sc= 0.312 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.279 K(o=-0.28,f=-8.6!) USER MOD Single : A 20 TYR OH : rot -19:sc= 0.873 USER MOD Single : A 23 ASN : amide:sc= 0.355 K(o=0.35,f=-0.6) USER MOD Single : A 24 GLN : amide:sc= -0.939 K(o=-0.94,f=-2.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 173:sc= 0 (180deg=-0.0576) USER MOD Single : A 28 LYS NZ :NH3+ -119:sc= -0.0127 (180deg=-0.445) USER MOD Single : A 31 SER OG : rot 17:sc= 0.731 USER MOD Single : A 34 HIS : no HE2:sc= 0.864 K(o=0.86,f=-2.8!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.77 K(o=-0.77,f=-8.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 110:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 -1.440 -0.104 1.00 10.00 C ATOM 4 O LYS A 1 1.440 -2.334 0.563 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.753 1.219 1.00 10.00 C ATOM 6 CG LYS A 1 3.493 1.001 1.093 1.00 10.00 C ATOM 7 CD LYS A 1 3.984 1.959 2.181 1.00 10.00 C ATOM 8 CE LYS A 1 4.659 1.194 3.321 1.00 10.00 C ATOM 9 NZ LYS A 1 3.726 0.206 3.906 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.602 0.774 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 0.369 -0.908 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 -0.971 0.134 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 0.536 -0.870 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.467 1.705 1.321 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.786 0.179 2.123 1.00 10.00 H new ATOM 0 HG2 LYS A 1 4.029 0.055 1.168 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.716 1.416 0.110 1.00 10.00 H new ATOM 0 HD2 LYS A 1 4.686 2.673 1.752 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.144 2.533 2.571 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.549 0.687 2.949 1.00 10.00 H new ATOM 0 HE3 LYS A 1 4.988 1.892 4.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 4.042 -0.044 4.865 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 2.771 0.615 3.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 3.709 -0.648 3.313 1.00 10.00 H new ATOM 22 N ASP A 2 2.965 -1.621 -0.947 1.00 10.00 N ATOM 23 CA ASP A 2 3.370 -2.955 -1.354 1.00 10.00 C ATOM 24 C ASP A 2 4.889 -2.989 -1.536 1.00 10.00 C ATOM 25 O ASP A 2 5.498 -1.979 -1.886 1.00 10.00 O ATOM 26 CB ASP A 2 2.725 -3.345 -2.686 1.00 10.00 C ATOM 27 CG ASP A 2 1.240 -3.000 -2.810 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.403 -3.492 -2.038 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.949 -2.178 -3.761 1.00 10.00 O ATOM 0 H ASP A 2 3.512 -0.865 -1.359 1.00 10.00 H new ATOM 0 HA ASP A 2 3.051 -3.654 -0.581 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.266 -2.851 -3.493 1.00 10.00 H new ATOM 0 HB3 ASP A 2 2.847 -4.418 -2.831 1.00 10.00 H new ATOM 35 N GLY A 3 5.456 -4.161 -1.291 1.00 10.00 N ATOM 36 CA GLY A 3 6.888 -4.349 -1.458 1.00 10.00 C ATOM 37 C GLY A 3 7.415 -5.422 -0.503 1.00 10.00 C ATOM 38 O GLY A 3 6.670 -6.309 -0.088 1.00 10.00 O ATOM 0 H GLY A 3 4.950 -4.990 -0.978 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.103 -4.636 -2.487 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.406 -3.408 -1.274 1.00 10.00 H new ATOM 42 N TYR A 4 8.695 -5.305 -0.182 1.00 10.00 N ATOM 43 CA TYR A 4 9.321 -6.232 0.746 1.00 10.00 C ATOM 44 C TYR A 4 9.513 -5.587 2.120 1.00 10.00 C ATOM 45 O TYR A 4 10.320 -4.672 2.272 1.00 10.00 O ATOM 46 CB TYR A 4 10.693 -6.560 0.153 1.00 10.00 C ATOM 47 CG TYR A 4 10.716 -6.602 -1.376 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.077 -7.623 -2.048 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.376 -5.617 -2.083 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.099 -7.663 -3.487 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.398 -5.656 -3.522 1.00 10.00 C ATOM 52 CZ TYR A 4 10.759 -6.677 -4.153 1.00 10.00 C ATOM 53 OH TYR A 4 10.780 -6.714 -5.513 1.00 10.00 O ATOM 0 H TYR A 4 9.316 -4.583 -0.548 1.00 10.00 H new ATOM 0 HA TYR A 4 8.701 -7.118 0.880 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.413 -5.817 0.497 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.022 -7.525 0.538 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.560 -8.393 -1.494 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.876 -4.817 -1.557 1.00 10.00 H new ATOM 0 HE1 TYR A 4 9.603 -8.457 -4.025 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.910 -4.892 -4.087 1.00 10.00 H new ATOM 0 HH TYR A 4 10.835 -7.645 -5.814 1.00 10.00 H new ATOM 63 N PRO A 5 8.737 -6.103 3.111 1.00 10.00 N ATOM 64 CA PRO A 5 8.759 -5.538 4.449 1.00 10.00 C ATOM 65 C PRO A 5 10.035 -5.938 5.193 1.00 10.00 C ATOM 66 O PRO A 5 10.418 -7.107 5.191 1.00 10.00 O ATOM 67 CB PRO A 5 7.495 -6.058 5.116 1.00 10.00 C ATOM 68 CG PRO A 5 7.054 -7.259 4.295 1.00 10.00 C ATOM 69 CD PRO A 5 7.823 -7.234 2.983 1.00 10.00 C ATOM 0 HA PRO A 5 8.773 -4.448 4.445 1.00 10.00 H new ATOM 0 HB2 PRO A 5 7.688 -6.342 6.151 1.00 10.00 H new ATOM 0 HB3 PRO A 5 6.720 -5.292 5.135 1.00 10.00 H new ATOM 0 HG2 PRO A 5 7.252 -8.185 4.836 1.00 10.00 H new ATOM 0 HG3 PRO A 5 5.981 -7.221 4.109 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.366 -8.166 2.824 1.00 10.00 H new ATOM 0 HD3 PRO A 5 7.152 -7.107 2.133 1.00 10.00 H new ATOM 77 N VAL A 6 10.657 -4.945 5.810 1.00 10.00 N ATOM 78 CA VAL A 6 11.882 -5.178 6.557 1.00 10.00 C ATOM 79 C VAL A 6 11.838 -4.382 7.862 1.00 10.00 C ATOM 80 O VAL A 6 11.469 -3.208 7.866 1.00 10.00 O ATOM 81 CB VAL A 6 13.096 -4.838 5.690 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.215 -5.805 4.510 1.00 10.00 C ATOM 83 CG2 VAL A 6 13.036 -3.388 5.206 1.00 10.00 C ATOM 0 H VAL A 6 10.336 -3.977 5.808 1.00 10.00 H new ATOM 0 HA VAL A 6 11.973 -6.231 6.822 1.00 10.00 H new ATOM 0 HB VAL A 6 13.989 -4.949 6.306 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.086 -5.541 3.910 1.00 10.00 H new ATOM 0 HG12 VAL A 6 13.327 -6.823 4.884 1.00 10.00 H new ATOM 0 HG13 VAL A 6 12.317 -5.741 3.895 1.00 10.00 H new ATOM 0 HG21 VAL A 6 13.911 -3.173 4.592 1.00 10.00 H new ATOM 0 HG22 VAL A 6 12.132 -3.239 4.615 1.00 10.00 H new ATOM 0 HG23 VAL A 6 13.022 -2.718 6.066 1.00 10.00 H new ATOM 93 N ASP A 7 12.219 -5.052 8.940 1.00 10.00 N ATOM 94 CA ASP A 7 12.283 -4.405 10.239 1.00 10.00 C ATOM 95 C ASP A 7 12.998 -5.328 11.229 1.00 10.00 C ATOM 96 O ASP A 7 14.170 -5.122 11.539 1.00 10.00 O ATOM 97 CB ASP A 7 10.882 -4.122 10.784 1.00 10.00 C ATOM 98 CG ASP A 7 9.791 -5.073 10.288 1.00 10.00 C ATOM 99 OD1 ASP A 7 8.976 -4.716 9.425 1.00 10.00 O ATOM 100 OD2 ASP A 7 9.799 -6.243 10.833 1.00 10.00 O ATOM 0 H ASP A 7 12.486 -6.036 8.940 1.00 10.00 H new ATOM 0 HA ASP A 7 12.820 -3.464 10.120 1.00 10.00 H new ATOM 0 HB2 ASP A 7 10.916 -4.168 11.873 1.00 10.00 H new ATOM 0 HB3 ASP A 7 10.604 -3.103 10.517 1.00 10.00 H new ATOM 106 N SER A 8 12.262 -6.325 11.697 1.00 10.00 N ATOM 107 CA SER A 8 12.699 -7.104 12.842 1.00 10.00 C ATOM 108 C SER A 8 13.687 -8.183 12.395 1.00 10.00 C ATOM 109 O SER A 8 14.639 -8.492 13.110 1.00 10.00 O ATOM 110 CB SER A 8 11.508 -7.741 13.562 1.00 10.00 C ATOM 111 OG SER A 8 10.636 -8.415 12.658 1.00 10.00 O ATOM 0 H SER A 8 11.365 -6.611 11.304 1.00 10.00 H new ATOM 0 HA SER A 8 13.196 -6.433 13.542 1.00 10.00 H new ATOM 0 HB2 SER A 8 11.871 -8.446 14.309 1.00 10.00 H new ATOM 0 HB3 SER A 8 10.952 -6.970 14.095 1.00 10.00 H new ATOM 0 HG SER A 8 10.182 -7.758 12.090 1.00 10.00 H new ATOM 117 N LYS A 9 13.427 -8.726 11.215 1.00 10.00 N ATOM 118 CA LYS A 9 14.256 -9.795 10.684 1.00 10.00 C ATOM 119 C LYS A 9 15.539 -9.199 10.102 1.00 10.00 C ATOM 120 O LYS A 9 16.548 -9.891 9.977 1.00 10.00 O ATOM 121 CB LYS A 9 13.463 -10.642 9.686 1.00 10.00 C ATOM 122 CG LYS A 9 13.207 -9.868 8.391 1.00 10.00 C ATOM 123 CD LYS A 9 11.882 -10.289 7.753 1.00 10.00 C ATOM 124 CE LYS A 9 10.705 -9.555 8.398 1.00 10.00 C ATOM 125 NZ LYS A 9 10.668 -8.144 7.953 1.00 10.00 N ATOM 0 H LYS A 9 12.654 -8.446 10.611 1.00 10.00 H new ATOM 0 HA LYS A 9 14.554 -10.477 11.480 1.00 10.00 H new ATOM 0 HB2 LYS A 9 14.011 -11.558 9.464 1.00 10.00 H new ATOM 0 HB3 LYS A 9 12.513 -10.939 10.130 1.00 10.00 H new ATOM 0 HG2 LYS A 9 13.190 -8.798 8.600 1.00 10.00 H new ATOM 0 HG3 LYS A 9 14.024 -10.043 7.691 1.00 10.00 H new ATOM 0 HD2 LYS A 9 11.906 -10.077 6.684 1.00 10.00 H new ATOM 0 HD3 LYS A 9 11.748 -11.365 7.862 1.00 10.00 H new ATOM 0 HE2 LYS A 9 9.771 -10.051 8.134 1.00 10.00 H new ATOM 0 HE3 LYS A 9 10.793 -9.598 9.484 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 9.873 -7.656 8.413 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 11.559 -7.675 8.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 10.545 -8.109 6.921 1.00 10.00 H new ATOM 138 N GLY A 10 15.458 -7.921 9.761 1.00 10.00 N ATOM 139 CA GLY A 10 16.585 -7.238 9.148 1.00 10.00 C ATOM 140 C GLY A 10 16.588 -7.436 7.631 1.00 10.00 C ATOM 141 O GLY A 10 16.221 -6.531 6.883 1.00 10.00 O ATOM 0 H GLY A 10 14.630 -7.341 9.897 1.00 10.00 H new ATOM 0 HA2 GLY A 10 16.539 -6.174 9.379 1.00 10.00 H new ATOM 0 HA3 GLY A 10 17.517 -7.616 9.569 1.00 10.00 H new ATOM 145 N CYS A 11 17.005 -8.625 7.223 1.00 10.00 N ATOM 146 CA CYS A 11 17.244 -8.891 5.814 1.00 10.00 C ATOM 147 C CYS A 11 16.196 -9.894 5.330 1.00 10.00 C ATOM 148 O CYS A 11 16.504 -11.067 5.121 1.00 10.00 O ATOM 149 CB CYS A 11 18.669 -9.390 5.567 1.00 10.00 C ATOM 150 SG CYS A 11 19.880 -8.081 5.155 1.00 10.00 S ATOM 0 H CYS A 11 17.184 -9.415 7.843 1.00 10.00 H new ATOM 0 HA CYS A 11 17.149 -7.966 5.245 1.00 10.00 H new ATOM 0 HB2 CYS A 11 19.014 -9.917 6.457 1.00 10.00 H new ATOM 0 HB3 CYS A 11 18.649 -10.116 4.754 1.00 10.00 H new ATOM 155 N LYS A 12 14.979 -9.397 5.165 1.00 10.00 N ATOM 156 CA LYS A 12 14.064 -9.966 4.190 1.00 10.00 C ATOM 157 C LYS A 12 13.506 -11.284 4.731 1.00 10.00 C ATOM 158 O LYS A 12 14.016 -11.822 5.713 1.00 10.00 O ATOM 159 CB LYS A 12 14.747 -10.101 2.828 1.00 10.00 C ATOM 160 CG LYS A 12 13.892 -9.478 1.722 1.00 10.00 C ATOM 161 CD LYS A 12 13.876 -7.952 1.836 1.00 10.00 C ATOM 162 CE LYS A 12 14.073 -7.299 0.466 1.00 10.00 C ATOM 163 NZ LYS A 12 15.403 -7.641 -0.085 1.00 10.00 N ATOM 0 H LYS A 12 14.605 -8.606 5.690 1.00 10.00 H new ATOM 0 HA LYS A 12 13.216 -9.301 4.030 1.00 10.00 H new ATOM 0 HB2 LYS A 12 15.722 -9.615 2.856 1.00 10.00 H new ATOM 0 HB3 LYS A 12 14.922 -11.154 2.608 1.00 10.00 H new ATOM 0 HG2 LYS A 12 14.283 -9.769 0.747 1.00 10.00 H new ATOM 0 HG3 LYS A 12 12.874 -9.862 1.785 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.929 -7.626 2.266 1.00 10.00 H new ATOM 0 HD3 LYS A 12 14.664 -7.626 2.515 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.293 -7.633 -0.218 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.977 -6.217 0.555 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 15.790 -6.820 -0.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 16.044 -7.901 0.692 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 15.311 -8.443 -0.741 1.00 10.00 H new ATOM 176 N LEU A 13 12.466 -11.766 4.067 1.00 10.00 N ATOM 177 CA LEU A 13 11.766 -12.952 4.531 1.00 10.00 C ATOM 178 C LEU A 13 12.333 -14.184 3.822 1.00 10.00 C ATOM 179 O LEU A 13 12.166 -15.308 4.294 1.00 10.00 O ATOM 180 CB LEU A 13 10.255 -12.785 4.358 1.00 10.00 C ATOM 181 CG LEU A 13 9.611 -11.648 5.155 1.00 10.00 C ATOM 182 CD1 LEU A 13 9.789 -10.308 4.440 1.00 10.00 C ATOM 183 CD2 LEU A 13 8.140 -11.950 5.450 1.00 10.00 C ATOM 0 H LEU A 13 12.091 -11.357 3.211 1.00 10.00 H new ATOM 0 HA LEU A 13 11.927 -13.095 5.599 1.00 10.00 H new ATOM 0 HB2 LEU A 13 10.046 -12.625 3.300 1.00 10.00 H new ATOM 0 HB3 LEU A 13 9.771 -13.720 4.641 1.00 10.00 H new ATOM 0 HG LEU A 13 10.122 -11.571 6.114 1.00 10.00 H new ATOM 0 HD11 LEU A 13 9.322 -9.517 5.027 1.00 10.00 H new ATOM 0 HD12 LEU A 13 10.852 -10.095 4.325 1.00 10.00 H new ATOM 0 HD13 LEU A 13 9.320 -10.355 3.457 1.00 10.00 H new ATOM 0 HD21 LEU A 13 7.706 -11.127 6.017 1.00 10.00 H new ATOM 0 HD22 LEU A 13 7.598 -12.070 4.512 1.00 10.00 H new ATOM 0 HD23 LEU A 13 8.067 -12.869 6.031 1.00 10.00 H new ATOM 195 N SER A 14 12.991 -13.931 2.700 1.00 10.00 N ATOM 196 CA SER A 14 13.681 -14.989 1.983 1.00 10.00 C ATOM 197 C SER A 14 12.703 -16.115 1.642 1.00 10.00 C ATOM 198 O SER A 14 12.685 -17.149 2.308 1.00 10.00 O ATOM 199 CB SER A 14 14.854 -15.534 2.800 1.00 10.00 C ATOM 200 OG SER A 14 15.785 -14.512 3.145 1.00 10.00 O ATOM 0 H SER A 14 13.061 -13.009 2.270 1.00 10.00 H new ATOM 0 HA SER A 14 14.080 -14.571 1.059 1.00 10.00 H new ATOM 0 HB2 SER A 14 14.476 -16.002 3.709 1.00 10.00 H new ATOM 0 HB3 SER A 14 15.363 -16.311 2.230 1.00 10.00 H new ATOM 0 HG SER A 14 16.518 -14.900 3.667 1.00 10.00 H new ATOM 206 N CYS A 15 11.913 -15.876 0.606 1.00 10.00 N ATOM 207 CA CYS A 15 10.923 -16.850 0.180 1.00 10.00 C ATOM 208 C CYS A 15 11.580 -17.793 -0.830 1.00 10.00 C ATOM 209 O CYS A 15 12.462 -17.384 -1.583 1.00 10.00 O ATOM 210 CB CYS A 15 9.677 -16.175 -0.398 1.00 10.00 C ATOM 211 SG CYS A 15 9.965 -15.208 -1.924 1.00 10.00 S ATOM 0 H CYS A 15 11.938 -15.022 0.049 1.00 10.00 H new ATOM 0 HA CYS A 15 10.580 -17.423 1.041 1.00 10.00 H new ATOM 0 HB2 CYS A 15 8.930 -16.941 -0.606 1.00 10.00 H new ATOM 0 HB3 CYS A 15 9.255 -15.515 0.359 1.00 10.00 H new ATOM 216 N VAL A 16 11.125 -19.037 -0.813 1.00 10.00 N ATOM 217 CA VAL A 16 11.513 -19.990 -1.839 1.00 10.00 C ATOM 218 C VAL A 16 10.257 -20.597 -2.466 1.00 10.00 C ATOM 219 O VAL A 16 10.343 -21.555 -3.233 1.00 10.00 O ATOM 220 CB VAL A 16 12.454 -21.042 -1.247 1.00 10.00 C ATOM 221 CG1 VAL A 16 11.680 -22.062 -0.411 1.00 10.00 C ATOM 222 CG2 VAL A 16 13.263 -21.734 -2.346 1.00 10.00 C ATOM 0 H VAL A 16 10.491 -19.407 -0.105 1.00 10.00 H new ATOM 0 HA VAL A 16 12.065 -19.491 -2.635 1.00 10.00 H new ATOM 0 HB VAL A 16 13.155 -20.531 -0.587 1.00 10.00 H new ATOM 0 HG11 VAL A 16 12.372 -22.798 -0.002 1.00 10.00 H new ATOM 0 HG12 VAL A 16 11.170 -21.551 0.406 1.00 10.00 H new ATOM 0 HG13 VAL A 16 10.945 -22.565 -1.040 1.00 10.00 H new ATOM 0 HG21 VAL A 16 13.924 -22.477 -1.899 1.00 10.00 H new ATOM 0 HG22 VAL A 16 12.584 -22.225 -3.043 1.00 10.00 H new ATOM 0 HG23 VAL A 16 13.858 -20.994 -2.880 1.00 10.00 H new ATOM 232 N ALA A 17 9.119 -20.015 -2.116 1.00 10.00 N ATOM 233 CA ALA A 17 7.839 -20.588 -2.494 1.00 10.00 C ATOM 234 C ALA A 17 6.744 -19.531 -2.333 1.00 10.00 C ATOM 235 O ALA A 17 6.888 -18.600 -1.543 1.00 10.00 O ATOM 236 CB ALA A 17 7.571 -21.838 -1.654 1.00 10.00 C ATOM 0 H ALA A 17 9.057 -19.153 -1.575 1.00 10.00 H new ATOM 0 HA ALA A 17 7.850 -20.894 -3.540 1.00 10.00 H new ATOM 0 HB1 ALA A 17 6.610 -22.268 -1.938 1.00 10.00 H new ATOM 0 HB2 ALA A 17 8.361 -22.569 -1.827 1.00 10.00 H new ATOM 0 HB3 ALA A 17 7.550 -21.569 -0.598 1.00 10.00 H new ATOM 242 N ASN A 18 5.675 -19.711 -3.094 1.00 10.00 N ATOM 243 CA ASN A 18 4.643 -18.693 -3.187 1.00 10.00 C ATOM 244 C ASN A 18 3.814 -18.694 -1.901 1.00 10.00 C ATOM 245 O ASN A 18 3.505 -17.634 -1.357 1.00 10.00 O ATOM 246 CB ASN A 18 3.698 -18.972 -4.358 1.00 10.00 C ATOM 247 CG ASN A 18 4.464 -19.023 -5.681 1.00 10.00 C ATOM 248 OD1 ASN A 18 4.784 -20.078 -6.203 1.00 10.00 O ATOM 249 ND2 ASN A 18 4.740 -17.826 -6.192 1.00 10.00 N ATOM 0 H ASN A 18 5.501 -20.547 -3.652 1.00 10.00 H new ATOM 0 HA ASN A 18 5.132 -17.731 -3.339 1.00 10.00 H new ATOM 0 HB2 ASN A 18 3.182 -19.918 -4.196 1.00 10.00 H new ATOM 0 HB3 ASN A 18 2.934 -18.196 -4.406 1.00 10.00 H new ATOM 0 HD21 ASN A 18 5.249 -17.753 -7.073 1.00 10.00 H new ATOM 0 HD22 ASN A 18 4.443 -16.982 -5.703 1.00 10.00 H new ATOM 256 N ASN A 19 3.478 -19.894 -1.451 1.00 10.00 N ATOM 257 CA ASN A 19 2.623 -20.044 -0.286 1.00 10.00 C ATOM 258 C ASN A 19 3.368 -19.548 0.955 1.00 10.00 C ATOM 259 O ASN A 19 2.770 -18.937 1.839 1.00 10.00 O ATOM 260 CB ASN A 19 2.253 -21.512 -0.060 1.00 10.00 C ATOM 261 CG ASN A 19 3.507 -22.380 0.063 1.00 10.00 C ATOM 262 OD1 ASN A 19 4.536 -22.120 -0.538 1.00 10.00 O ATOM 263 ND2 ASN A 19 3.364 -23.424 0.874 1.00 10.00 N ATOM 0 H ASN A 19 3.783 -20.772 -1.872 1.00 10.00 H new ATOM 0 HA ASN A 19 1.715 -19.465 -0.457 1.00 10.00 H new ATOM 0 HB2 ASN A 19 1.652 -21.604 0.845 1.00 10.00 H new ATOM 0 HB3 ASN A 19 1.640 -21.868 -0.888 1.00 10.00 H new ATOM 0 HD21 ASN A 19 4.144 -24.064 1.023 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.475 -23.584 1.347 1.00 10.00 H new ATOM 270 N TYR A 20 4.663 -19.829 0.981 1.00 10.00 N ATOM 271 CA TYR A 20 5.500 -19.399 2.087 1.00 10.00 C ATOM 272 C TYR A 20 5.390 -17.888 2.303 1.00 10.00 C ATOM 273 O TYR A 20 5.345 -17.421 3.441 1.00 10.00 O ATOM 274 CB TYR A 20 6.936 -19.741 1.688 1.00 10.00 C ATOM 275 CG TYR A 20 7.997 -19.185 2.640 1.00 10.00 C ATOM 276 CD1 TYR A 20 8.423 -17.878 2.511 1.00 10.00 C ATOM 277 CD2 TYR A 20 8.527 -19.990 3.628 1.00 10.00 C ATOM 278 CE1 TYR A 20 9.421 -17.355 3.408 1.00 10.00 C ATOM 279 CE2 TYR A 20 9.525 -19.466 4.524 1.00 10.00 C ATOM 280 CZ TYR A 20 9.923 -18.175 4.370 1.00 10.00 C ATOM 281 OH TYR A 20 10.865 -17.680 5.217 1.00 10.00 O ATOM 0 H TYR A 20 5.153 -20.349 0.253 1.00 10.00 H new ATOM 0 HA TYR A 20 5.195 -19.889 3.011 1.00 10.00 H new ATOM 0 HB2 TYR A 20 7.040 -20.825 1.638 1.00 10.00 H new ATOM 0 HB3 TYR A 20 7.125 -19.356 0.686 1.00 10.00 H new ATOM 0 HD1 TYR A 20 8.008 -17.248 1.738 1.00 10.00 H new ATOM 0 HD2 TYR A 20 8.193 -21.012 3.729 1.00 10.00 H new ATOM 0 HE1 TYR A 20 9.763 -16.335 3.319 1.00 10.00 H new ATOM 0 HE2 TYR A 20 9.948 -20.085 5.301 1.00 10.00 H new ATOM 0 HH TYR A 20 11.270 -16.879 4.824 1.00 10.00 H new ATOM 291 N CYS A 21 5.348 -17.165 1.194 1.00 10.00 N ATOM 292 CA CYS A 21 5.256 -15.716 1.247 1.00 10.00 C ATOM 293 C CYS A 21 3.825 -15.341 1.637 1.00 10.00 C ATOM 294 O CYS A 21 3.609 -14.659 2.638 1.00 10.00 O ATOM 295 CB CYS A 21 5.673 -15.073 -0.077 1.00 10.00 C ATOM 296 SG CYS A 21 5.419 -13.263 -0.165 1.00 10.00 S ATOM 0 H CYS A 21 5.376 -17.556 0.252 1.00 10.00 H new ATOM 0 HA CYS A 21 5.949 -15.332 1.995 1.00 10.00 H new ATOM 0 HB2 CYS A 21 6.727 -15.287 -0.252 1.00 10.00 H new ATOM 0 HB3 CYS A 21 5.114 -15.544 -0.885 1.00 10.00 H new ATOM 301 N ASP A 22 2.884 -15.802 0.827 1.00 10.00 N ATOM 302 CA ASP A 22 1.535 -15.264 0.863 1.00 10.00 C ATOM 303 C ASP A 22 0.965 -15.420 2.275 1.00 10.00 C ATOM 304 O ASP A 22 0.374 -14.487 2.816 1.00 10.00 O ATOM 305 CB ASP A 22 0.616 -16.014 -0.103 1.00 10.00 C ATOM 306 CG ASP A 22 -0.743 -15.355 -0.348 1.00 10.00 C ATOM 307 OD1 ASP A 22 -0.918 -14.149 -0.117 1.00 10.00 O ATOM 308 OD2 ASP A 22 -1.658 -16.143 -0.801 1.00 10.00 O ATOM 0 H ASP A 22 3.029 -16.543 0.141 1.00 10.00 H new ATOM 0 HA ASP A 22 1.584 -14.214 0.573 1.00 10.00 H new ATOM 0 HB2 ASP A 22 1.129 -16.121 -1.059 1.00 10.00 H new ATOM 0 HB3 ASP A 22 0.451 -17.020 0.284 1.00 10.00 H new ATOM 314 N ASN A 23 1.164 -16.606 2.831 1.00 10.00 N ATOM 315 CA ASN A 23 0.531 -16.957 4.091 1.00 10.00 C ATOM 316 C ASN A 23 1.129 -16.104 5.212 1.00 10.00 C ATOM 317 O ASN A 23 0.447 -15.782 6.182 1.00 10.00 O ATOM 318 CB ASN A 23 0.771 -18.428 4.436 1.00 10.00 C ATOM 319 CG ASN A 23 2.029 -18.592 5.291 1.00 10.00 C ATOM 320 OD1 ASN A 23 1.980 -18.657 6.508 1.00 10.00 O ATOM 321 ND2 ASN A 23 3.156 -18.656 4.588 1.00 10.00 N ATOM 0 H ASN A 23 1.754 -17.336 2.432 1.00 10.00 H new ATOM 0 HA ASN A 23 -0.540 -16.780 3.992 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -0.091 -18.825 4.971 1.00 10.00 H new ATOM 0 HB3 ASN A 23 0.872 -19.009 3.519 1.00 10.00 H new ATOM 0 HD21 ASN A 23 4.050 -18.766 5.067 1.00 10.00 H new ATOM 0 HD22 ASN A 23 3.126 -18.595 3.570 1.00 10.00 H new ATOM 328 N GLN A 24 2.398 -15.764 5.040 1.00 10.00 N ATOM 329 CA GLN A 24 3.142 -15.091 6.092 1.00 10.00 C ATOM 330 C GLN A 24 3.010 -13.574 5.948 1.00 10.00 C ATOM 331 O GLN A 24 3.236 -12.834 6.904 1.00 10.00 O ATOM 332 CB GLN A 24 4.611 -15.518 6.084 1.00 10.00 C ATOM 333 CG GLN A 24 5.482 -14.469 5.389 1.00 10.00 C ATOM 334 CD GLN A 24 6.881 -15.020 5.104 1.00 10.00 C ATOM 335 OE1 GLN A 24 7.324 -15.103 3.970 1.00 10.00 O ATOM 336 NE2 GLN A 24 7.549 -15.391 6.192 1.00 10.00 N ATOM 0 H GLN A 24 2.930 -15.942 4.188 1.00 10.00 H new ATOM 0 HA GLN A 24 2.719 -15.383 7.053 1.00 10.00 H new ATOM 0 HB2 GLN A 24 4.957 -15.663 7.107 1.00 10.00 H new ATOM 0 HB3 GLN A 24 4.712 -16.476 5.574 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.011 -14.161 4.455 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.558 -13.581 6.016 1.00 10.00 H new ATOM 0 HE21 GLN A 24 7.119 -15.295 7.112 1.00 10.00 H new ATOM 0 HE22 GLN A 24 8.491 -15.772 6.107 1.00 10.00 H new ATOM 345 N CYS A 25 2.645 -13.155 4.745 1.00 10.00 N ATOM 346 CA CYS A 25 2.310 -11.761 4.508 1.00 10.00 C ATOM 347 C CYS A 25 0.943 -11.482 5.135 1.00 10.00 C ATOM 348 O CYS A 25 0.792 -10.536 5.907 1.00 10.00 O ATOM 349 CB CYS A 25 2.334 -11.419 3.017 1.00 10.00 C ATOM 350 SG CYS A 25 3.994 -11.457 2.248 1.00 10.00 S ATOM 0 H CYS A 25 2.574 -13.756 3.924 1.00 10.00 H new ATOM 0 HA CYS A 25 3.059 -11.120 4.973 1.00 10.00 H new ATOM 0 HB2 CYS A 25 1.688 -12.119 2.488 1.00 10.00 H new ATOM 0 HB3 CYS A 25 1.908 -10.425 2.880 1.00 10.00 H new ATOM 355 N LYS A 26 -0.018 -12.322 4.781 1.00 10.00 N ATOM 356 CA LYS A 26 -1.403 -12.069 5.138 1.00 10.00 C ATOM 357 C LYS A 26 -1.585 -12.284 6.642 1.00 10.00 C ATOM 358 O LYS A 26 -2.578 -11.843 7.220 1.00 10.00 O ATOM 359 CB LYS A 26 -2.342 -12.917 4.277 1.00 10.00 C ATOM 360 CG LYS A 26 -2.380 -14.365 4.771 1.00 10.00 C ATOM 361 CD LYS A 26 -3.414 -15.182 3.994 1.00 10.00 C ATOM 362 CE LYS A 26 -2.997 -15.346 2.531 1.00 10.00 C ATOM 363 NZ LYS A 26 -3.793 -16.410 1.880 1.00 10.00 N ATOM 0 H LYS A 26 0.135 -13.179 4.250 1.00 10.00 H new ATOM 0 HA LYS A 26 -1.667 -11.032 4.930 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -3.346 -12.494 4.302 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -2.012 -12.892 3.239 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -1.395 -14.817 4.659 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -2.620 -14.384 5.834 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -3.529 -16.163 4.455 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -4.385 -14.690 4.046 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -3.135 -14.404 2.000 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -1.936 -15.591 2.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -3.497 -16.507 0.888 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -3.641 -17.311 2.377 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -4.802 -16.161 1.917 1.00 10.00 H new ATOM 376 N MET A 27 -0.612 -12.961 7.233 1.00 10.00 N ATOM 377 CA MET A 27 -0.691 -13.310 8.641 1.00 10.00 C ATOM 378 C MET A 27 -0.921 -12.066 9.502 1.00 10.00 C ATOM 379 O MET A 27 -1.639 -12.122 10.499 1.00 10.00 O ATOM 380 CB MET A 27 0.608 -13.995 9.071 1.00 10.00 C ATOM 381 CG MET A 27 0.534 -14.443 10.532 1.00 10.00 C ATOM 382 SD MET A 27 1.715 -15.747 10.831 1.00 10.00 S ATOM 383 CE MET A 27 3.236 -14.820 10.713 1.00 10.00 C ATOM 0 H MET A 27 0.236 -13.277 6.762 1.00 10.00 H new ATOM 0 HA MET A 27 -1.533 -13.987 8.781 1.00 10.00 H new ATOM 0 HB2 MET A 27 0.798 -14.857 8.432 1.00 10.00 H new ATOM 0 HB3 MET A 27 1.446 -13.310 8.939 1.00 10.00 H new ATOM 0 HG2 MET A 27 0.738 -13.599 11.191 1.00 10.00 H new ATOM 0 HG3 MET A 27 -0.472 -14.792 10.763 1.00 10.00 H new ATOM 0 HE1 MET A 27 4.073 -15.457 10.997 1.00 10.00 H new ATOM 0 HE2 MET A 27 3.374 -14.476 9.688 1.00 10.00 H new ATOM 0 HE3 MET A 27 3.191 -13.960 11.382 1.00 10.00 H new ATOM 393 N LYS A 28 -0.299 -10.973 9.085 1.00 10.00 N ATOM 394 CA LYS A 28 -0.275 -9.770 9.899 1.00 10.00 C ATOM 395 C LYS A 28 0.214 -8.595 9.050 1.00 10.00 C ATOM 396 O LYS A 28 -0.391 -7.525 9.057 1.00 10.00 O ATOM 397 CB LYS A 28 0.551 -9.997 11.167 1.00 10.00 C ATOM 398 CG LYS A 28 1.997 -10.359 10.823 1.00 10.00 C ATOM 399 CD LYS A 28 2.742 -10.874 12.056 1.00 10.00 C ATOM 400 CE LYS A 28 4.210 -11.157 11.731 1.00 10.00 C ATOM 401 NZ LYS A 28 4.937 -9.893 11.477 1.00 10.00 N ATOM 0 H LYS A 28 0.192 -10.895 8.194 1.00 10.00 H new ATOM 0 HA LYS A 28 -1.280 -9.522 10.241 1.00 10.00 H new ATOM 0 HB2 LYS A 28 0.534 -9.097 11.782 1.00 10.00 H new ATOM 0 HB3 LYS A 28 0.103 -10.796 11.759 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.009 -11.120 10.042 1.00 10.00 H new ATOM 0 HG3 LYS A 28 2.509 -9.484 10.423 1.00 10.00 H new ATOM 0 HD2 LYS A 28 2.679 -10.138 12.857 1.00 10.00 H new ATOM 0 HD3 LYS A 28 2.265 -11.784 12.420 1.00 10.00 H new ATOM 0 HE2 LYS A 28 4.676 -11.691 12.559 1.00 10.00 H new ATOM 0 HE3 LYS A 28 4.277 -11.804 10.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 5.312 -9.897 10.507 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 4.287 -9.089 11.594 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 5.723 -9.803 12.152 1.00 10.00 H new ATOM 414 N LYS A 29 1.306 -8.835 8.338 1.00 10.00 N ATOM 415 CA LYS A 29 1.984 -7.766 7.625 1.00 10.00 C ATOM 416 C LYS A 29 0.985 -7.053 6.712 1.00 10.00 C ATOM 417 O LYS A 29 0.904 -5.825 6.713 1.00 10.00 O ATOM 418 CB LYS A 29 3.211 -8.307 6.889 1.00 10.00 C ATOM 419 CG LYS A 29 4.376 -8.532 7.856 1.00 10.00 C ATOM 420 CD LYS A 29 5.186 -7.248 8.047 1.00 10.00 C ATOM 421 CE LYS A 29 6.336 -7.467 9.032 1.00 10.00 C ATOM 422 NZ LYS A 29 7.232 -8.543 8.552 1.00 10.00 N ATOM 0 H LYS A 29 1.738 -9.754 8.240 1.00 10.00 H new ATOM 0 HA LYS A 29 2.363 -7.022 8.326 1.00 10.00 H new ATOM 0 HB2 LYS A 29 2.958 -9.245 6.394 1.00 10.00 H new ATOM 0 HB3 LYS A 29 3.511 -7.606 6.110 1.00 10.00 H new ATOM 0 HG2 LYS A 29 3.994 -8.872 8.819 1.00 10.00 H new ATOM 0 HG3 LYS A 29 5.023 -9.321 7.474 1.00 10.00 H new ATOM 0 HD2 LYS A 29 5.583 -6.918 7.087 1.00 10.00 H new ATOM 0 HD3 LYS A 29 4.535 -6.454 8.413 1.00 10.00 H new ATOM 0 HE2 LYS A 29 6.900 -6.542 9.152 1.00 10.00 H new ATOM 0 HE3 LYS A 29 5.938 -7.728 10.013 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 8.133 -8.500 9.069 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 6.783 -9.467 8.714 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 7.410 -8.419 7.535 1.00 10.00 H new ATOM 435 N ALA A 30 0.248 -7.852 5.955 1.00 10.00 N ATOM 436 CA ALA A 30 -0.380 -7.363 4.739 1.00 10.00 C ATOM 437 C ALA A 30 -1.751 -8.022 4.578 1.00 10.00 C ATOM 438 O ALA A 30 -2.173 -8.802 5.431 1.00 10.00 O ATOM 439 CB ALA A 30 0.540 -7.631 3.546 1.00 10.00 C ATOM 0 H ALA A 30 0.071 -8.835 6.160 1.00 10.00 H new ATOM 0 HA ALA A 30 -0.537 -6.286 4.794 1.00 10.00 H new ATOM 0 HB1 ALA A 30 0.069 -7.264 2.634 1.00 10.00 H new ATOM 0 HB2 ALA A 30 1.489 -7.117 3.696 1.00 10.00 H new ATOM 0 HB3 ALA A 30 0.718 -8.703 3.457 1.00 10.00 H new ATOM 445 N SER A 31 -2.408 -7.685 3.478 1.00 10.00 N ATOM 446 CA SER A 31 -3.610 -8.397 3.077 1.00 10.00 C ATOM 447 C SER A 31 -3.234 -9.674 2.323 1.00 10.00 C ATOM 448 O SER A 31 -3.938 -10.679 2.408 1.00 10.00 O ATOM 449 CB SER A 31 -4.509 -7.514 2.209 1.00 10.00 C ATOM 450 OG SER A 31 -3.761 -6.762 1.258 1.00 10.00 O ATOM 0 H SER A 31 -2.131 -6.929 2.852 1.00 10.00 H new ATOM 0 HA SER A 31 -4.166 -8.663 3.976 1.00 10.00 H new ATOM 0 HB2 SER A 31 -5.235 -8.138 1.688 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.073 -6.833 2.847 1.00 10.00 H new ATOM 0 HG SER A 31 -2.868 -7.153 1.161 1.00 10.00 H new ATOM 456 N GLY A 32 -2.125 -9.594 1.603 1.00 10.00 N ATOM 457 CA GLY A 32 -1.672 -10.715 0.797 1.00 10.00 C ATOM 458 C GLY A 32 -0.189 -10.576 0.448 1.00 10.00 C ATOM 459 O GLY A 32 0.482 -9.663 0.926 1.00 10.00 O ATOM 0 H GLY A 32 -1.526 -8.769 1.561 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -1.836 -11.647 1.339 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -2.261 -10.771 -0.118 1.00 10.00 H new ATOM 463 N GLY A 33 0.279 -11.496 -0.383 1.00 10.00 N ATOM 464 CA GLY A 33 1.626 -11.404 -0.919 1.00 10.00 C ATOM 465 C GLY A 33 1.898 -12.534 -1.914 1.00 10.00 C ATOM 466 O GLY A 33 1.103 -13.464 -2.036 1.00 10.00 O ATOM 0 H GLY A 33 -0.251 -12.309 -0.698 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.760 -10.441 -1.411 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.349 -11.450 -0.105 1.00 10.00 H new ATOM 470 N HIS A 34 3.026 -12.416 -2.601 1.00 10.00 N ATOM 471 CA HIS A 34 3.511 -13.502 -3.434 1.00 10.00 C ATOM 472 C HIS A 34 5.038 -13.446 -3.512 1.00 10.00 C ATOM 473 O HIS A 34 5.637 -12.395 -3.288 1.00 10.00 O ATOM 474 CB HIS A 34 2.846 -13.470 -4.812 1.00 10.00 C ATOM 475 CG HIS A 34 2.006 -14.687 -5.116 1.00 10.00 C ATOM 476 ND1 HIS A 34 0.986 -15.121 -4.287 1.00 10.00 N ATOM 477 CD2 HIS A 34 2.043 -15.556 -6.167 1.00 10.00 C ATOM 478 CE1 HIS A 34 0.442 -16.203 -4.824 1.00 10.00 C ATOM 479 NE2 HIS A 34 1.099 -16.472 -5.989 1.00 10.00 N ATOM 0 H HIS A 34 3.617 -11.585 -2.597 1.00 10.00 H new ATOM 0 HA HIS A 34 3.239 -14.458 -2.986 1.00 10.00 H new ATOM 0 HB2 HIS A 34 2.218 -12.581 -4.881 1.00 10.00 H new ATOM 0 HB3 HIS A 34 3.619 -13.374 -5.575 1.00 10.00 H new ATOM 0 HD1 HIS A 34 0.701 -14.682 -3.411 1.00 10.00 H new ATOM 0 HD2 HIS A 34 2.725 -15.507 -7.003 1.00 10.00 H new ATOM 0 HE1 HIS A 34 -0.378 -16.772 -4.412 1.00 10.00 H new ATOM 487 N CYS A 35 5.625 -14.591 -3.830 1.00 10.00 N ATOM 488 CA CYS A 35 7.073 -14.717 -3.824 1.00 10.00 C ATOM 489 C CYS A 35 7.602 -14.246 -5.180 1.00 10.00 C ATOM 490 O CYS A 35 7.761 -15.047 -6.100 1.00 10.00 O ATOM 491 CB CYS A 35 7.515 -16.146 -3.503 1.00 10.00 C ATOM 492 SG CYS A 35 9.327 -16.390 -3.428 1.00 10.00 S ATOM 0 H CYS A 35 5.124 -15.440 -4.093 1.00 10.00 H new ATOM 0 HA CYS A 35 7.492 -14.092 -3.035 1.00 10.00 H new ATOM 0 HB2 CYS A 35 7.083 -16.439 -2.546 1.00 10.00 H new ATOM 0 HB3 CYS A 35 7.103 -16.817 -4.257 1.00 10.00 H new ATOM 497 N TYR A 36 7.859 -12.949 -5.261 1.00 10.00 N ATOM 498 CA TYR A 36 8.701 -12.418 -6.320 1.00 10.00 C ATOM 499 C TYR A 36 10.115 -12.997 -6.238 1.00 10.00 C ATOM 500 O TYR A 36 10.571 -13.382 -5.162 1.00 10.00 O ATOM 501 CB TYR A 36 8.767 -10.907 -6.088 1.00 10.00 C ATOM 502 CG TYR A 36 9.604 -10.154 -7.124 1.00 10.00 C ATOM 503 CD1 TYR A 36 9.164 -10.059 -8.429 1.00 10.00 C ATOM 504 CD2 TYR A 36 10.799 -9.570 -6.755 1.00 10.00 C ATOM 505 CE1 TYR A 36 9.951 -9.351 -9.405 1.00 10.00 C ATOM 506 CE2 TYR A 36 11.586 -8.862 -7.731 1.00 10.00 C ATOM 507 CZ TYR A 36 11.123 -8.787 -9.007 1.00 10.00 C ATOM 508 OH TYR A 36 11.867 -8.118 -9.929 1.00 10.00 O ATOM 0 H TYR A 36 7.499 -12.250 -4.611 1.00 10.00 H new ATOM 0 HA TYR A 36 8.295 -12.673 -7.299 1.00 10.00 H new ATOM 0 HB2 TYR A 36 7.754 -10.505 -6.093 1.00 10.00 H new ATOM 0 HB3 TYR A 36 9.180 -10.720 -5.097 1.00 10.00 H new ATOM 0 HD1 TYR A 36 8.229 -10.516 -8.718 1.00 10.00 H new ATOM 0 HD2 TYR A 36 11.144 -9.644 -5.734 1.00 10.00 H new ATOM 0 HE1 TYR A 36 9.618 -9.270 -10.429 1.00 10.00 H new ATOM 0 HE2 TYR A 36 12.523 -8.401 -7.456 1.00 10.00 H new ATOM 0 HH TYR A 36 12.677 -7.767 -9.503 1.00 10.00 H new ATOM 518 N ALA A 37 10.770 -13.039 -7.389 1.00 10.00 N ATOM 519 CA ALA A 37 11.913 -13.919 -7.567 1.00 10.00 C ATOM 520 C ALA A 37 12.931 -13.656 -6.456 1.00 10.00 C ATOM 521 O ALA A 37 13.565 -14.585 -5.958 1.00 10.00 O ATOM 522 CB ALA A 37 12.505 -13.709 -8.963 1.00 10.00 C ATOM 0 H ALA A 37 10.531 -12.478 -8.207 1.00 10.00 H new ATOM 0 HA ALA A 37 11.609 -14.963 -7.495 1.00 10.00 H new ATOM 0 HB1 ALA A 37 13.362 -14.368 -9.098 1.00 10.00 H new ATOM 0 HB2 ALA A 37 11.751 -13.936 -9.716 1.00 10.00 H new ATOM 0 HB3 ALA A 37 12.824 -12.672 -9.071 1.00 10.00 H new ATOM 528 N MET A 38 13.057 -12.386 -6.101 1.00 10.00 N ATOM 529 CA MET A 38 14.082 -11.970 -5.158 1.00 10.00 C ATOM 530 C MET A 38 13.665 -12.287 -3.721 1.00 10.00 C ATOM 531 O MET A 38 14.476 -12.760 -2.926 1.00 10.00 O ATOM 532 CB MET A 38 14.326 -10.467 -5.300 1.00 10.00 C ATOM 533 CG MET A 38 14.960 -10.139 -6.653 1.00 10.00 C ATOM 534 SD MET A 38 16.666 -10.664 -6.672 1.00 10.00 S ATOM 535 CE MET A 38 17.135 -10.133 -8.311 1.00 10.00 C ATOM 0 H MET A 38 12.466 -11.631 -6.449 1.00 10.00 H new ATOM 0 HA MET A 38 14.998 -12.518 -5.380 1.00 10.00 H new ATOM 0 HB2 MET A 38 13.383 -9.931 -5.197 1.00 10.00 H new ATOM 0 HB3 MET A 38 14.977 -10.123 -4.496 1.00 10.00 H new ATOM 0 HG2 MET A 38 14.409 -10.636 -7.452 1.00 10.00 H new ATOM 0 HG3 MET A 38 14.899 -9.067 -6.842 1.00 10.00 H new ATOM 0 HE1 MET A 38 18.180 -10.385 -8.490 1.00 10.00 H new ATOM 0 HE2 MET A 38 16.509 -10.635 -9.049 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.003 -9.054 -8.396 1.00 10.00 H new ATOM 545 N SER A 39 12.402 -12.013 -3.430 1.00 10.00 N ATOM 546 CA SER A 39 11.981 -11.788 -2.058 1.00 10.00 C ATOM 547 C SER A 39 10.454 -11.825 -1.966 1.00 10.00 C ATOM 548 O SER A 39 9.766 -11.743 -2.982 1.00 10.00 O ATOM 549 CB SER A 39 12.512 -10.454 -1.531 1.00 10.00 C ATOM 550 OG SER A 39 13.933 -10.379 -1.603 1.00 10.00 O ATOM 0 H SER A 39 11.656 -11.942 -4.122 1.00 10.00 H new ATOM 0 HA SER A 39 12.395 -12.583 -1.439 1.00 10.00 H new ATOM 0 HB2 SER A 39 12.076 -9.637 -2.107 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.194 -10.320 -0.497 1.00 10.00 H new ATOM 0 HG SER A 39 14.327 -11.039 -0.994 1.00 10.00 H new ATOM 556 N CYS A 40 9.970 -11.949 -0.739 1.00 10.00 N ATOM 557 CA CYS A 40 8.537 -11.992 -0.501 1.00 10.00 C ATOM 558 C CYS A 40 7.970 -10.590 -0.730 1.00 10.00 C ATOM 559 O CYS A 40 8.150 -9.701 0.100 1.00 10.00 O ATOM 560 CB CYS A 40 8.212 -12.518 0.899 1.00 10.00 C ATOM 561 SG CYS A 40 6.440 -12.454 1.350 1.00 10.00 S ATOM 0 H CYS A 40 10.544 -12.021 0.101 1.00 10.00 H new ATOM 0 HA CYS A 40 8.071 -12.689 -1.197 1.00 10.00 H new ATOM 0 HB2 CYS A 40 8.554 -13.550 0.973 1.00 10.00 H new ATOM 0 HB3 CYS A 40 8.779 -11.941 1.629 1.00 10.00 H new ATOM 566 N TYR A 41 7.296 -10.436 -1.860 1.00 10.00 N ATOM 567 CA TYR A 41 6.566 -9.210 -2.136 1.00 10.00 C ATOM 568 C TYR A 41 5.184 -9.235 -1.480 1.00 10.00 C ATOM 569 O TYR A 41 4.262 -9.869 -1.991 1.00 10.00 O ATOM 570 CB TYR A 41 6.396 -9.153 -3.655 1.00 10.00 C ATOM 571 CG TYR A 41 5.761 -7.857 -4.162 1.00 10.00 C ATOM 572 CD1 TYR A 41 6.543 -6.738 -4.364 1.00 10.00 C ATOM 573 CD2 TYR A 41 4.405 -7.807 -4.417 1.00 10.00 C ATOM 574 CE1 TYR A 41 5.945 -5.518 -4.841 1.00 10.00 C ATOM 575 CE2 TYR A 41 3.807 -6.587 -4.894 1.00 10.00 C ATOM 576 CZ TYR A 41 4.606 -5.503 -5.082 1.00 10.00 C ATOM 577 OH TYR A 41 4.041 -4.351 -5.533 1.00 10.00 O ATOM 0 H TYR A 41 7.240 -11.140 -2.596 1.00 10.00 H new ATOM 0 HA TYR A 41 7.103 -8.347 -1.743 1.00 10.00 H new ATOM 0 HB2 TYR A 41 7.372 -9.275 -4.124 1.00 10.00 H new ATOM 0 HB3 TYR A 41 5.782 -9.995 -3.973 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.604 -6.777 -4.164 1.00 10.00 H new ATOM 0 HD2 TYR A 41 3.793 -8.683 -4.259 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.546 -4.635 -5.004 1.00 10.00 H new ATOM 0 HE2 TYR A 41 2.748 -6.534 -5.098 1.00 10.00 H new ATOM 0 HH TYR A 41 3.079 -4.487 -5.662 1.00 10.00 H new ATOM 587 N CYS A 42 5.084 -8.538 -0.358 1.00 10.00 N ATOM 588 CA CYS A 42 3.831 -8.476 0.376 1.00 10.00 C ATOM 589 C CYS A 42 3.009 -7.309 -0.174 1.00 10.00 C ATOM 590 O CYS A 42 3.565 -6.353 -0.712 1.00 10.00 O ATOM 591 CB CYS A 42 4.064 -8.351 1.883 1.00 10.00 C ATOM 592 SG CYS A 42 4.925 -9.773 2.648 1.00 10.00 S ATOM 0 H CYS A 42 5.850 -8.011 0.061 1.00 10.00 H new ATOM 0 HA CYS A 42 3.278 -9.405 0.236 1.00 10.00 H new ATOM 0 HB2 CYS A 42 4.644 -7.448 2.073 1.00 10.00 H new ATOM 0 HB3 CYS A 42 3.101 -8.220 2.376 1.00 10.00 H new ATOM 597 N GLU A 43 1.699 -7.425 -0.019 1.00 10.00 N ATOM 598 CA GLU A 43 0.778 -6.613 -0.797 1.00 10.00 C ATOM 599 C GLU A 43 -0.365 -6.112 0.088 1.00 10.00 C ATOM 600 O GLU A 43 -1.116 -6.908 0.649 1.00 10.00 O ATOM 601 CB GLU A 43 0.240 -7.393 -1.999 1.00 10.00 C ATOM 602 CG GLU A 43 -0.098 -6.452 -3.156 1.00 10.00 C ATOM 603 CD GLU A 43 -0.652 -7.230 -4.352 1.00 10.00 C ATOM 604 OE1 GLU A 43 0.078 -7.473 -5.324 1.00 10.00 O ATOM 605 OE2 GLU A 43 -1.887 -7.585 -4.246 1.00 10.00 O ATOM 0 H GLU A 43 1.253 -8.069 0.634 1.00 10.00 H new ATOM 0 HA GLU A 43 1.321 -5.749 -1.180 1.00 10.00 H new ATOM 0 HB2 GLU A 43 0.981 -8.123 -2.324 1.00 10.00 H new ATOM 0 HB3 GLU A 43 -0.650 -7.950 -1.707 1.00 10.00 H new ATOM 0 HG2 GLU A 43 -0.830 -5.714 -2.827 1.00 10.00 H new ATOM 0 HG3 GLU A 43 0.795 -5.904 -3.456 1.00 10.00 H new ATOM 613 N GLY A 44 -0.461 -4.794 0.184 1.00 10.00 N ATOM 614 CA GLY A 44 -1.522 -4.176 0.962 1.00 10.00 C ATOM 615 C GLY A 44 -1.132 -4.074 2.438 1.00 10.00 C ATOM 616 O GLY A 44 -1.713 -4.750 3.285 1.00 10.00 O ATOM 0 H GLY A 44 0.178 -4.137 -0.264 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.734 -3.182 0.569 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.437 -4.760 0.864 1.00 10.00 H new ATOM 620 N LEU A 45 -0.150 -3.224 2.700 1.00 10.00 N ATOM 621 CA LEU A 45 0.315 -3.013 4.060 1.00 10.00 C ATOM 622 C LEU A 45 -0.264 -1.702 4.595 1.00 10.00 C ATOM 623 O LEU A 45 -0.687 -0.845 3.821 1.00 10.00 O ATOM 624 CB LEU A 45 1.842 -3.082 4.121 1.00 10.00 C ATOM 625 CG LEU A 45 2.462 -4.461 3.890 1.00 10.00 C ATOM 626 CD1 LEU A 45 2.757 -4.688 2.406 1.00 10.00 C ATOM 627 CD2 LEU A 45 3.707 -4.656 4.758 1.00 10.00 C ATOM 0 H LEU A 45 0.337 -2.673 1.993 1.00 10.00 H new ATOM 0 HA LEU A 45 -0.043 -3.809 4.713 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.247 -2.395 3.378 1.00 10.00 H new ATOM 0 HB3 LEU A 45 2.163 -2.720 5.098 1.00 10.00 H new ATOM 0 HG LEU A 45 1.737 -5.216 4.194 1.00 10.00 H new ATOM 0 HD11 LEU A 45 3.197 -5.676 2.269 1.00 10.00 H new ATOM 0 HD12 LEU A 45 1.830 -4.622 1.837 1.00 10.00 H new ATOM 0 HD13 LEU A 45 3.454 -3.928 2.053 1.00 10.00 H new ATOM 0 HD21 LEU A 45 4.128 -5.645 4.574 1.00 10.00 H new ATOM 0 HD22 LEU A 45 4.447 -3.895 4.510 1.00 10.00 H new ATOM 0 HD23 LEU A 45 3.435 -4.568 5.810 1.00 10.00 H new ATOM 639 N PRO A 46 -0.264 -1.584 5.950 1.00 10.00 N ATOM 640 CA PRO A 46 -0.327 -0.280 6.588 1.00 10.00 C ATOM 641 C PRO A 46 1.018 0.442 6.491 1.00 10.00 C ATOM 642 O PRO A 46 2.065 -0.197 6.391 1.00 10.00 O ATOM 643 CB PRO A 46 -0.747 -0.563 8.021 1.00 10.00 C ATOM 644 CG PRO A 46 -0.454 -2.036 8.259 1.00 10.00 C ATOM 645 CD PRO A 46 -0.206 -2.686 6.907 1.00 10.00 C ATOM 0 HA PRO A 46 -1.037 0.391 6.105 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -0.194 0.063 8.721 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -1.805 -0.347 8.168 1.00 10.00 H new ATOM 0 HG2 PRO A 46 0.417 -2.153 8.904 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -1.292 -2.515 8.765 1.00 10.00 H new ATOM 0 HD2 PRO A 46 0.763 -3.184 6.879 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -0.960 -3.442 6.687 1.00 10.00 H new ATOM 653 N GLU A 47 0.947 1.765 6.523 1.00 10.00 N ATOM 654 CA GLU A 47 2.057 2.586 6.071 1.00 10.00 C ATOM 655 C GLU A 47 3.171 2.596 7.120 1.00 10.00 C ATOM 656 O GLU A 47 4.291 3.019 6.837 1.00 10.00 O ATOM 657 CB GLU A 47 1.593 4.008 5.750 1.00 10.00 C ATOM 658 CG GLU A 47 0.653 4.019 4.543 1.00 10.00 C ATOM 659 CD GLU A 47 0.200 5.443 4.213 1.00 10.00 C ATOM 660 OE1 GLU A 47 -0.756 5.945 4.822 1.00 10.00 O ATOM 661 OE2 GLU A 47 0.881 6.031 3.289 1.00 10.00 O ATOM 0 H GLU A 47 0.137 2.289 6.855 1.00 10.00 H new ATOM 0 HA GLU A 47 2.453 2.153 5.152 1.00 10.00 H new ATOM 0 HB2 GLU A 47 1.084 4.432 6.616 1.00 10.00 H new ATOM 0 HB3 GLU A 47 2.458 4.640 5.547 1.00 10.00 H new ATOM 0 HG2 GLU A 47 1.158 3.585 3.680 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -0.217 3.396 4.749 1.00 10.00 H new ATOM 669 N ASN A 48 2.825 2.125 8.309 1.00 10.00 N ATOM 670 CA ASN A 48 3.777 2.093 9.406 1.00 10.00 C ATOM 671 C ASN A 48 4.828 1.015 9.133 1.00 10.00 C ATOM 672 O ASN A 48 5.952 1.101 9.624 1.00 10.00 O ATOM 673 CB ASN A 48 3.083 1.752 10.727 1.00 10.00 C ATOM 674 CG ASN A 48 2.482 0.345 10.684 1.00 10.00 C ATOM 675 OD1 ASN A 48 2.037 -0.136 9.655 1.00 10.00 O ATOM 676 ND2 ASN A 48 2.496 -0.285 11.855 1.00 10.00 N ATOM 0 H ASN A 48 1.899 1.763 8.537 1.00 10.00 H new ATOM 0 HA ASN A 48 4.236 3.079 9.483 1.00 10.00 H new ATOM 0 HB2 ASN A 48 3.799 1.821 11.546 1.00 10.00 H new ATOM 0 HB3 ASN A 48 2.298 2.481 10.928 1.00 10.00 H new ATOM 0 HD21 ASN A 48 2.119 -1.230 11.930 1.00 10.00 H new ATOM 0 HD22 ASN A 48 2.884 0.176 12.678 1.00 10.00 H new ATOM 683 N ALA A 49 4.424 0.025 8.350 1.00 10.00 N ATOM 684 CA ALA A 49 5.318 -1.067 8.004 1.00 10.00 C ATOM 685 C ALA A 49 6.175 -0.660 6.804 1.00 10.00 C ATOM 686 O ALA A 49 5.671 -0.543 5.688 1.00 10.00 O ATOM 687 CB ALA A 49 4.498 -2.331 7.734 1.00 10.00 C ATOM 0 H ALA A 49 3.490 -0.044 7.946 1.00 10.00 H new ATOM 0 HA ALA A 49 5.994 -1.286 8.831 1.00 10.00 H new ATOM 0 HB1 ALA A 49 5.168 -3.151 7.474 1.00 10.00 H new ATOM 0 HB2 ALA A 49 3.931 -2.595 8.627 1.00 10.00 H new ATOM 0 HB3 ALA A 49 3.810 -2.149 6.908 1.00 10.00 H new ATOM 693 N LYS A 50 7.456 -0.456 7.074 1.00 10.00 N ATOM 694 CA LYS A 50 8.377 -0.012 6.042 1.00 10.00 C ATOM 695 C LYS A 50 8.631 -1.161 5.063 1.00 10.00 C ATOM 696 O LYS A 50 8.926 -2.281 5.478 1.00 10.00 O ATOM 697 CB LYS A 50 9.652 0.555 6.669 1.00 10.00 C ATOM 698 CG LYS A 50 10.566 1.159 5.601 1.00 10.00 C ATOM 699 CD LYS A 50 11.642 0.160 5.171 1.00 10.00 C ATOM 700 CE LYS A 50 12.497 0.730 4.037 1.00 10.00 C ATOM 701 NZ LYS A 50 13.423 -0.302 3.518 1.00 10.00 N ATOM 0 H LYS A 50 7.878 -0.590 7.993 1.00 10.00 H new ATOM 0 HA LYS A 50 7.941 0.806 5.468 1.00 10.00 H new ATOM 0 HB2 LYS A 50 9.392 1.317 7.404 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.182 -0.235 7.202 1.00 10.00 H new ATOM 0 HG2 LYS A 50 9.973 1.455 4.736 1.00 10.00 H new ATOM 0 HG3 LYS A 50 11.037 2.062 5.989 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.277 -0.085 6.022 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.172 -0.768 4.846 1.00 10.00 H new ATOM 0 HE2 LYS A 50 11.854 1.088 3.233 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.064 1.588 4.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.996 0.101 2.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.049 -0.624 4.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.876 -1.109 3.156 1.00 10.00 H new ATOM 714 N VAL A 51 8.506 -0.844 3.783 1.00 10.00 N ATOM 715 CA VAL A 51 8.833 -1.801 2.740 1.00 10.00 C ATOM 716 C VAL A 51 9.838 -1.173 1.773 1.00 10.00 C ATOM 717 O VAL A 51 9.921 0.050 1.667 1.00 10.00 O ATOM 718 CB VAL A 51 7.554 -2.277 2.047 1.00 10.00 C ATOM 719 CG1 VAL A 51 6.466 -2.608 3.071 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.059 -1.239 1.038 1.00 10.00 C ATOM 0 H VAL A 51 8.183 0.062 3.444 1.00 10.00 H new ATOM 0 HA VAL A 51 9.304 -2.686 3.168 1.00 10.00 H new ATOM 0 HB VAL A 51 7.789 -3.190 1.501 1.00 10.00 H new ATOM 0 HG11 VAL A 51 5.568 -2.944 2.552 1.00 10.00 H new ATOM 0 HG12 VAL A 51 6.819 -3.398 3.734 1.00 10.00 H new ATOM 0 HG13 VAL A 51 6.235 -1.718 3.657 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.149 -1.602 0.560 1.00 10.00 H new ATOM 0 HG22 VAL A 51 6.849 -0.302 1.553 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.826 -1.073 0.281 1.00 10.00 H new ATOM 730 N SER A 52 10.576 -2.037 1.092 1.00 10.00 N ATOM 731 CA SER A 52 11.312 -1.624 -0.090 1.00 10.00 C ATOM 732 C SER A 52 10.541 -2.020 -1.351 1.00 10.00 C ATOM 733 O SER A 52 9.916 -3.078 -1.394 1.00 10.00 O ATOM 734 CB SER A 52 12.713 -2.239 -0.110 1.00 10.00 C ATOM 735 OG SER A 52 13.339 -2.102 -1.383 1.00 10.00 O ATOM 0 H SER A 52 10.680 -3.022 1.337 1.00 10.00 H new ATOM 0 HA SER A 52 11.421 -0.540 -0.063 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.330 -1.760 0.651 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.649 -3.295 0.150 1.00 10.00 H new ATOM 0 HG SER A 52 13.753 -1.216 -1.450 1.00 10.00 H new ATOM 741 N ASP A 53 10.612 -1.149 -2.347 1.00 10.00 N ATOM 742 CA ASP A 53 10.226 -1.523 -3.697 1.00 10.00 C ATOM 743 C ASP A 53 11.363 -1.179 -4.662 1.00 10.00 C ATOM 744 O ASP A 53 11.118 -0.811 -5.810 1.00 10.00 O ATOM 745 CB ASP A 53 8.978 -0.760 -4.145 1.00 10.00 C ATOM 746 CG ASP A 53 9.125 0.762 -4.170 1.00 10.00 C ATOM 747 OD1 ASP A 53 8.449 1.457 -4.943 1.00 10.00 O ATOM 748 OD2 ASP A 53 9.989 1.240 -3.339 1.00 10.00 O ATOM 0 H ASP A 53 10.931 -0.185 -2.246 1.00 10.00 H new ATOM 0 HA ASP A 53 10.016 -2.593 -3.703 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.702 -1.100 -5.143 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.154 -1.019 -3.481 1.00 10.00 H new ATOM 754 N SER A 54 12.582 -1.309 -4.160 1.00 10.00 N ATOM 755 CA SER A 54 13.729 -0.702 -4.813 1.00 10.00 C ATOM 756 C SER A 54 14.749 -1.779 -5.188 1.00 10.00 C ATOM 757 O SER A 54 15.926 -1.669 -4.848 1.00 10.00 O ATOM 758 CB SER A 54 14.378 0.354 -3.916 1.00 10.00 C ATOM 759 OG SER A 54 14.582 -0.124 -2.590 1.00 10.00 O ATOM 0 H SER A 54 12.800 -1.826 -3.308 1.00 10.00 H new ATOM 0 HA SER A 54 13.383 -0.207 -5.720 1.00 10.00 H new ATOM 0 HB2 SER A 54 15.334 0.655 -4.344 1.00 10.00 H new ATOM 0 HB3 SER A 54 13.748 1.243 -3.888 1.00 10.00 H new ATOM 0 HG SER A 54 15.456 -0.563 -2.531 1.00 10.00 H new ATOM 765 N ALA A 55 14.260 -2.795 -5.884 1.00 10.00 N ATOM 766 CA ALA A 55 15.140 -3.713 -6.587 1.00 10.00 C ATOM 767 C ALA A 55 16.110 -4.349 -5.589 1.00 10.00 C ATOM 768 O ALA A 55 17.306 -4.447 -5.856 1.00 10.00 O ATOM 769 CB ALA A 55 15.866 -2.966 -7.708 1.00 10.00 C ATOM 0 H ALA A 55 13.266 -3.003 -5.976 1.00 10.00 H new ATOM 0 HA ALA A 55 14.566 -4.517 -7.048 1.00 10.00 H new ATOM 0 HB1 ALA A 55 16.526 -3.654 -8.236 1.00 10.00 H new ATOM 0 HB2 ALA A 55 15.135 -2.558 -8.406 1.00 10.00 H new ATOM 0 HB3 ALA A 55 16.454 -2.153 -7.282 1.00 10.00 H new ATOM 775 N THR A 56 15.556 -4.766 -4.459 1.00 10.00 N ATOM 776 CA THR A 56 16.270 -5.657 -3.560 1.00 10.00 C ATOM 777 C THR A 56 17.610 -5.041 -3.152 1.00 10.00 C ATOM 778 O THR A 56 18.667 -5.600 -3.439 1.00 10.00 O ATOM 779 CB THR A 56 16.411 -7.014 -4.253 1.00 10.00 C ATOM 780 OG1 THR A 56 15.078 -7.355 -4.622 1.00 10.00 O ATOM 781 CG2 THR A 56 16.826 -8.125 -3.287 1.00 10.00 C ATOM 0 H THR A 56 14.621 -4.503 -4.146 1.00 10.00 H new ATOM 0 HA THR A 56 15.720 -5.806 -2.631 1.00 10.00 H new ATOM 0 HB THR A 56 17.146 -6.937 -5.055 1.00 10.00 H new ATOM 0 HG1 THR A 56 14.984 -7.301 -5.596 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.912 -9.066 -3.830 1.00 10.00 H new ATOM 0 HG22 THR A 56 17.788 -7.876 -2.838 1.00 10.00 H new ATOM 0 HG23 THR A 56 16.075 -8.225 -2.503 1.00 10.00 H new ATOM 789 N ASN A 57 17.522 -3.898 -2.488 1.00 10.00 N ATOM 790 CA ASN A 57 18.705 -3.255 -1.943 1.00 10.00 C ATOM 791 C ASN A 57 19.031 -3.869 -0.580 1.00 10.00 C ATOM 792 O ASN A 57 20.163 -3.774 -0.107 1.00 10.00 O ATOM 793 CB ASN A 57 18.476 -1.756 -1.745 1.00 10.00 C ATOM 794 CG ASN A 57 17.539 -1.496 -0.564 1.00 10.00 C ATOM 795 OD1 ASN A 57 16.258 -1.383 -0.904 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 17.951 -1.404 0.581 1.00 10.00 N flip ATOM 0 H ASN A 57 16.649 -3.400 -2.315 1.00 10.00 H new ATOM 0 HA ASN A 57 19.524 -3.404 -2.647 1.00 10.00 H new ATOM 0 HB2 ASN A 57 19.430 -1.258 -1.573 1.00 10.00 H new ATOM 0 HB3 ASN A 57 18.051 -1.326 -2.652 1.00 10.00 H new ATOM 0 HD21 ASN A 57 18.948 -1.501 0.774 1.00 10.00 H new ATOM 0 HD22 ASN A 57 17.298 -1.230 1.345 1.00 10.00 H new ATOM 803 N ILE A 58 18.019 -4.483 0.014 1.00 10.00 N ATOM 804 CA ILE A 58 18.233 -5.320 1.182 1.00 10.00 C ATOM 805 C ILE A 58 18.624 -6.729 0.731 1.00 10.00 C ATOM 806 O ILE A 58 18.301 -7.139 -0.383 1.00 10.00 O ATOM 807 CB ILE A 58 17.007 -5.286 2.098 1.00 10.00 C ATOM 808 CG1 ILE A 58 16.669 -3.851 2.507 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.204 -6.197 3.311 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.342 -3.403 1.891 1.00 10.00 C ATOM 0 H ILE A 58 17.048 -4.418 -0.292 1.00 10.00 H new ATOM 0 HA ILE A 58 19.060 -4.935 1.779 1.00 10.00 H new ATOM 0 HB ILE A 58 16.153 -5.672 1.541 1.00 10.00 H new ATOM 0 HG12 ILE A 58 16.611 -3.783 3.593 1.00 10.00 H new ATOM 0 HG13 ILE A 58 17.467 -3.181 2.188 1.00 10.00 H new ATOM 0 HG21 ILE A 58 16.319 -6.155 3.946 1.00 10.00 H new ATOM 0 HG22 ILE A 58 17.361 -7.222 2.975 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.073 -5.865 3.878 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.126 -2.380 2.198 1.00 10.00 H new ATOM 0 HD12 ILE A 58 15.411 -3.449 0.804 1.00 10.00 H new ATOM 0 HD13 ILE A 58 14.542 -4.061 2.232 1.00 10.00 H new ATOM 822 N CYS A 59 19.313 -7.430 1.619 1.00 10.00 N ATOM 823 CA CYS A 59 20.071 -8.603 1.220 1.00 10.00 C ATOM 824 C CYS A 59 19.280 -9.342 0.139 1.00 10.00 C ATOM 825 O CYS A 59 19.751 -9.491 -0.988 1.00 10.00 O ATOM 826 CB CYS A 59 20.386 -9.506 2.414 1.00 10.00 C ATOM 827 SG CYS A 59 21.203 -8.664 3.819 1.00 10.00 S ATOM 0 H CYS A 59 19.362 -7.208 2.613 1.00 10.00 H new ATOM 0 HA CYS A 59 21.036 -8.295 0.816 1.00 10.00 H new ATOM 0 HB2 CYS A 59 19.457 -9.954 2.768 1.00 10.00 H new ATOM 0 HB3 CYS A 59 21.025 -10.322 2.076 1.00 10.00 H new ATOM 832 N GLY A 60 18.091 -9.786 0.519 1.00 10.00 N ATOM 833 CA GLY A 60 17.264 -10.574 -0.378 1.00 10.00 C ATOM 834 C GLY A 60 16.561 -11.705 0.376 1.00 10.00 C ATOM 835 O GLY A 60 15.410 -12.027 0.087 1.00 10.00 O ATOM 0 H GLY A 60 17.681 -9.615 1.437 1.00 10.00 H new ATOM 0 HA2 GLY A 60 16.522 -9.932 -0.852 1.00 10.00 H new ATOM 0 HA3 GLY A 60 17.880 -10.991 -1.174 1.00 10.00 H new TER 839 GLY A 60