USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=18 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 81:sc= 1.64 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0.973 USER MOD Set 2.1: A 39 SER OG : rot 66:sc= 0.823 USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.0766 USER MOD Set 3.1: A 18 ASN : amide:sc= -0.0881 K(o=-0.65,f=-2.8) USER MOD Set 3.2: A 34 HIS : no HE2:sc= -0.562 K(o=-0.65,f=-3.1) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 179:sc= 0.0814 (180deg=0.0801) USER MOD Set 4.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 132:sc= 0.0141 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 161:sc= -0.0658 (180deg=-0.472) USER MOD Single : A 4 TYR OH : rot -4:sc= 1 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -119:sc= 0.877 (180deg=-1.16!) USER MOD Single : A 14 SER OG : rot 64:sc= 0.348 USER MOD Single : A 19 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.4!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.312 K(o=0.31,f=-0.68) USER MOD Single : A 24 GLN : amide:sc= -0.735 K(o=-0.73,f=-3.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 20:sc= 1.02 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -153:sc= 0 (180deg=-0.00803) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.227 K(o=-0.23,f=-6.8!) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0.748 (180deg=0.605) USER MOD Single : A 57 ASN : amide:sc= -0.253! C(o=-0.25!,f=-1.9!) 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 -1.442 -0.071 1.00 10.00 C ATOM 4 O LYS A 1 1.451 -2.317 0.630 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.781 1.201 1.00 10.00 C ATOM 6 CG LYS A 1 3.514 0.889 1.150 1.00 10.00 C ATOM 7 CD LYS A 1 4.035 1.829 2.238 1.00 10.00 C ATOM 8 CE LYS A 1 5.554 1.987 2.145 1.00 10.00 C ATOM 9 NZ LYS A 1 5.935 2.570 0.839 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.619 0.760 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 0.348 -0.916 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 -0.968 0.156 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 0.516 -0.882 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.551 1.779 1.215 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.687 0.287 2.124 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.956 -0.099 1.276 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.823 1.254 0.171 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.558 2.804 2.140 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.766 1.439 3.220 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.909 2.627 2.953 1.00 10.00 H new ATOM 0 HE3 LYS A 1 6.035 1.017 2.271 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.895 2.966 0.902 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.913 1.830 0.109 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 5.265 3.325 0.587 1.00 10.00 H new ATOM 22 N ASP A 2 2.953 -1.646 -0.923 1.00 10.00 N ATOM 23 CA ASP A 2 3.408 -2.990 -1.234 1.00 10.00 C ATOM 24 C ASP A 2 4.927 -2.981 -1.413 1.00 10.00 C ATOM 25 O ASP A 2 5.497 -1.988 -1.861 1.00 10.00 O ATOM 26 CB ASP A 2 2.782 -3.496 -2.535 1.00 10.00 C ATOM 27 CG ASP A 2 1.253 -3.448 -2.578 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.580 -4.489 -2.539 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.747 -2.264 -2.657 1.00 10.00 O ATOM 0 H ASP A 2 3.456 -0.903 -1.408 1.00 10.00 H new ATOM 0 HA ASP A 2 3.113 -3.644 -0.413 1.00 10.00 H new ATOM 0 HB2 ASP A 2 3.173 -2.904 -3.363 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.103 -4.525 -2.699 1.00 10.00 H new ATOM 35 N GLY A 3 5.540 -4.099 -1.053 1.00 10.00 N ATOM 36 CA GLY A 3 6.968 -4.270 -1.260 1.00 10.00 C ATOM 37 C GLY A 3 7.554 -5.262 -0.253 1.00 10.00 C ATOM 38 O GLY A 3 6.815 -5.993 0.405 1.00 10.00 O ATOM 0 H GLY A 3 5.074 -4.896 -0.619 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.152 -4.625 -2.274 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.471 -3.308 -1.163 1.00 10.00 H new ATOM 42 N TYR A 4 8.875 -5.256 -0.164 1.00 10.00 N ATOM 43 CA TYR A 4 9.562 -6.056 0.835 1.00 10.00 C ATOM 44 C TYR A 4 9.884 -5.224 2.078 1.00 10.00 C ATOM 45 O TYR A 4 10.651 -4.265 2.006 1.00 10.00 O ATOM 46 CB TYR A 4 10.872 -6.508 0.186 1.00 10.00 C ATOM 47 CG TYR A 4 10.760 -6.783 -1.315 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.134 -7.929 -1.762 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.285 -5.885 -2.222 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.029 -8.187 -3.175 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.180 -6.144 -3.635 1.00 10.00 C ATOM 52 CZ TYR A 4 10.557 -7.282 -4.041 1.00 10.00 C ATOM 53 OH TYR A 4 10.457 -7.526 -5.376 1.00 10.00 O ATOM 0 H TYR A 4 9.489 -4.709 -0.768 1.00 10.00 H new ATOM 0 HA TYR A 4 8.940 -6.894 1.149 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.630 -5.742 0.349 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.220 -7.412 0.686 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.723 -8.632 -1.052 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.775 -4.988 -1.872 1.00 10.00 H new ATOM 0 HE1 TYR A 4 9.542 -9.080 -3.538 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.587 -5.450 -4.355 1.00 10.00 H new ATOM 0 HH TYR A 4 10.042 -8.402 -5.518 1.00 10.00 H new ATOM 63 N PRO A 5 9.265 -5.631 3.218 1.00 10.00 N ATOM 64 CA PRO A 5 9.421 -4.891 4.459 1.00 10.00 C ATOM 65 C PRO A 5 10.798 -5.140 5.077 1.00 10.00 C ATOM 66 O PRO A 5 11.208 -6.287 5.248 1.00 10.00 O ATOM 67 CB PRO A 5 8.279 -5.364 5.345 1.00 10.00 C ATOM 68 CG PRO A 5 7.806 -6.679 4.748 1.00 10.00 C ATOM 69 CD PRO A 5 8.404 -6.802 3.356 1.00 10.00 C ATOM 0 HA PRO A 5 9.375 -3.812 4.313 1.00 10.00 H new ATOM 0 HB2 PRO A 5 8.613 -5.500 6.374 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.472 -4.632 5.366 1.00 10.00 H new ATOM 0 HG2 PRO A 5 8.118 -7.516 5.373 1.00 10.00 H new ATOM 0 HG3 PRO A 5 6.717 -6.706 4.699 1.00 10.00 H new ATOM 0 HD2 PRO A 5 8.972 -7.726 3.249 1.00 10.00 H new ATOM 0 HD3 PRO A 5 7.628 -6.815 2.591 1.00 10.00 H new ATOM 77 N VAL A 6 11.475 -4.046 5.394 1.00 10.00 N ATOM 78 CA VAL A 6 12.816 -4.130 5.947 1.00 10.00 C ATOM 79 C VAL A 6 12.953 -3.130 7.097 1.00 10.00 C ATOM 80 O VAL A 6 12.698 -1.940 6.923 1.00 10.00 O ATOM 81 CB VAL A 6 13.853 -3.915 4.842 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.808 -5.053 3.820 1.00 10.00 C ATOM 83 CG2 VAL A 6 13.656 -2.559 4.162 1.00 10.00 C ATOM 0 H VAL A 6 11.120 -3.097 5.278 1.00 10.00 H new ATOM 0 HA VAL A 6 12.998 -5.124 6.356 1.00 10.00 H new ATOM 0 HB VAL A 6 14.841 -3.918 5.303 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.554 -4.876 3.046 1.00 10.00 H new ATOM 0 HG12 VAL A 6 14.020 -5.999 4.319 1.00 10.00 H new ATOM 0 HG13 VAL A 6 12.818 -5.096 3.367 1.00 10.00 H new ATOM 0 HG21 VAL A 6 14.406 -2.431 3.381 1.00 10.00 H new ATOM 0 HG22 VAL A 6 12.660 -2.515 3.720 1.00 10.00 H new ATOM 0 HG23 VAL A 6 13.761 -1.763 4.900 1.00 10.00 H new ATOM 93 N ASP A 7 13.354 -3.651 8.247 1.00 10.00 N ATOM 94 CA ASP A 7 13.594 -2.809 9.407 1.00 10.00 C ATOM 95 C ASP A 7 14.256 -3.640 10.507 1.00 10.00 C ATOM 96 O ASP A 7 15.456 -3.516 10.748 1.00 10.00 O ATOM 97 CB ASP A 7 12.283 -2.249 9.962 1.00 10.00 C ATOM 98 CG ASP A 7 11.042 -3.092 9.663 1.00 10.00 C ATOM 99 OD1 ASP A 7 10.159 -2.679 8.897 1.00 10.00 O ATOM 100 OD2 ASP A 7 11.001 -4.233 10.263 1.00 10.00 O ATOM 0 H ASP A 7 13.519 -4.646 8.401 1.00 10.00 H new ATOM 0 HA ASP A 7 14.236 -1.984 9.098 1.00 10.00 H new ATOM 0 HB2 ASP A 7 12.380 -2.142 11.042 1.00 10.00 H new ATOM 0 HB3 ASP A 7 12.131 -1.249 9.555 1.00 10.00 H new ATOM 106 N SER A 8 13.445 -4.470 11.147 1.00 10.00 N ATOM 107 CA SER A 8 13.859 -5.121 12.378 1.00 10.00 C ATOM 108 C SER A 8 14.850 -6.245 12.068 1.00 10.00 C ATOM 109 O SER A 8 15.791 -6.474 12.826 1.00 10.00 O ATOM 110 CB SER A 8 12.654 -5.673 13.142 1.00 10.00 C ATOM 111 OG SER A 8 11.862 -6.540 12.335 1.00 10.00 O ATOM 0 H SER A 8 12.503 -4.706 10.836 1.00 10.00 H new ATOM 0 HA SER A 8 14.347 -4.378 13.010 1.00 10.00 H new ATOM 0 HB2 SER A 8 13.000 -6.213 14.023 1.00 10.00 H new ATOM 0 HB3 SER A 8 12.039 -4.846 13.496 1.00 10.00 H new ATOM 0 HG SER A 8 11.104 -6.873 12.859 1.00 10.00 H new ATOM 117 N LYS A 9 14.605 -6.917 10.953 1.00 10.00 N ATOM 118 CA LYS A 9 15.425 -8.053 10.567 1.00 10.00 C ATOM 119 C LYS A 9 16.657 -7.553 9.811 1.00 10.00 C ATOM 120 O LYS A 9 17.657 -8.262 9.709 1.00 10.00 O ATOM 121 CB LYS A 9 14.594 -9.071 9.784 1.00 10.00 C ATOM 122 CG LYS A 9 14.227 -8.532 8.400 1.00 10.00 C ATOM 123 CD LYS A 9 12.803 -8.936 8.014 1.00 10.00 C ATOM 124 CE LYS A 9 11.773 -8.036 8.701 1.00 10.00 C ATOM 125 NZ LYS A 9 11.795 -6.679 8.111 1.00 10.00 N ATOM 0 H LYS A 9 13.850 -6.697 10.304 1.00 10.00 H new ATOM 0 HA LYS A 9 15.785 -8.581 11.450 1.00 10.00 H new ATOM 0 HB2 LYS A 9 15.155 -10.000 9.679 1.00 10.00 H new ATOM 0 HB3 LYS A 9 13.686 -9.308 10.338 1.00 10.00 H new ATOM 0 HG2 LYS A 9 14.315 -7.446 8.394 1.00 10.00 H new ATOM 0 HG3 LYS A 9 14.930 -8.913 7.659 1.00 10.00 H new ATOM 0 HD2 LYS A 9 12.683 -8.872 6.932 1.00 10.00 H new ATOM 0 HD3 LYS A 9 12.627 -9.975 8.293 1.00 10.00 H new ATOM 0 HE2 LYS A 9 10.778 -8.468 8.598 1.00 10.00 H new ATOM 0 HE3 LYS A 9 11.986 -7.978 9.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 11.079 -6.086 8.577 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 12.736 -6.257 8.247 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 11.586 -6.739 7.094 1.00 10.00 H new ATOM 138 N GLY A 10 16.546 -6.336 9.300 1.00 10.00 N ATOM 139 CA GLY A 10 17.593 -5.777 8.463 1.00 10.00 C ATOM 140 C GLY A 10 17.380 -6.151 6.995 1.00 10.00 C ATOM 141 O GLY A 10 16.879 -5.346 6.211 1.00 10.00 O ATOM 0 H GLY A 10 15.746 -5.721 9.450 1.00 10.00 H new ATOM 0 HA2 GLY A 10 17.606 -4.692 8.567 1.00 10.00 H new ATOM 0 HA3 GLY A 10 18.564 -6.141 8.798 1.00 10.00 H new ATOM 145 N CYS A 11 17.770 -7.374 6.666 1.00 10.00 N ATOM 146 CA CYS A 11 17.821 -7.795 5.276 1.00 10.00 C ATOM 147 C CYS A 11 16.790 -8.907 5.074 1.00 10.00 C ATOM 148 O CYS A 11 17.147 -10.082 4.995 1.00 10.00 O ATOM 149 CB CYS A 11 19.228 -8.239 4.871 1.00 10.00 C ATOM 150 SG CYS A 11 20.431 -6.877 4.657 1.00 10.00 S ATOM 0 H CYS A 11 18.054 -8.087 7.338 1.00 10.00 H new ATOM 0 HA CYS A 11 17.577 -6.953 4.628 1.00 10.00 H new ATOM 0 HB2 CYS A 11 19.609 -8.926 5.627 1.00 10.00 H new ATOM 0 HB3 CYS A 11 19.163 -8.797 3.937 1.00 10.00 H new ATOM 155 N LYS A 12 15.533 -8.498 4.994 1.00 10.00 N ATOM 156 CA LYS A 12 14.547 -9.250 4.237 1.00 10.00 C ATOM 157 C LYS A 12 14.082 -10.450 5.064 1.00 10.00 C ATOM 158 O LYS A 12 14.863 -11.031 5.816 1.00 10.00 O ATOM 159 CB LYS A 12 15.103 -9.629 2.863 1.00 10.00 C ATOM 160 CG LYS A 12 14.139 -9.216 1.748 1.00 10.00 C ATOM 161 CD LYS A 12 14.032 -7.693 1.653 1.00 10.00 C ATOM 162 CE LYS A 12 14.310 -7.212 0.227 1.00 10.00 C ATOM 163 NZ LYS A 12 14.247 -5.735 0.157 1.00 10.00 N ATOM 0 H LYS A 12 15.174 -7.655 5.441 1.00 10.00 H new ATOM 0 HA LYS A 12 13.667 -8.637 4.042 1.00 10.00 H new ATOM 0 HB2 LYS A 12 16.068 -9.146 2.711 1.00 10.00 H new ATOM 0 HB3 LYS A 12 15.275 -10.705 2.820 1.00 10.00 H new ATOM 0 HG2 LYS A 12 14.484 -9.620 0.796 1.00 10.00 H new ATOM 0 HG3 LYS A 12 13.154 -9.642 1.937 1.00 10.00 H new ATOM 0 HD2 LYS A 12 13.036 -7.375 1.960 1.00 10.00 H new ATOM 0 HD3 LYS A 12 14.740 -7.231 2.341 1.00 10.00 H new ATOM 0 HE2 LYS A 12 15.293 -7.556 -0.094 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.582 -7.646 -0.458 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 13.494 -5.450 -0.502 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 14.043 -5.351 1.102 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 15.159 -5.364 -0.178 1.00 10.00 H new ATOM 176 N LEU A 13 12.811 -10.786 4.897 1.00 10.00 N ATOM 177 CA LEU A 13 12.257 -11.964 5.543 1.00 10.00 C ATOM 178 C LEU A 13 12.868 -13.219 4.916 1.00 10.00 C ATOM 179 O LEU A 13 12.839 -14.293 5.514 1.00 10.00 O ATOM 180 CB LEU A 13 10.728 -11.933 5.493 1.00 10.00 C ATOM 181 CG LEU A 13 10.051 -10.850 6.335 1.00 10.00 C ATOM 182 CD1 LEU A 13 8.701 -10.454 5.736 1.00 10.00 C ATOM 183 CD2 LEU A 13 9.924 -11.290 7.795 1.00 10.00 C ATOM 0 H LEU A 13 12.149 -10.263 4.324 1.00 10.00 H new ATOM 0 HA LEU A 13 12.518 -11.977 6.601 1.00 10.00 H new ATOM 0 HB2 LEU A 13 10.421 -11.803 4.455 1.00 10.00 H new ATOM 0 HB3 LEU A 13 10.354 -12.904 5.817 1.00 10.00 H new ATOM 0 HG LEU A 13 10.682 -9.962 6.321 1.00 10.00 H new ATOM 0 HD11 LEU A 13 8.241 -9.683 6.354 1.00 10.00 H new ATOM 0 HD12 LEU A 13 8.849 -10.070 4.727 1.00 10.00 H new ATOM 0 HD13 LEU A 13 8.049 -11.327 5.700 1.00 10.00 H new ATOM 0 HD21 LEU A 13 9.440 -10.502 8.372 1.00 10.00 H new ATOM 0 HD22 LEU A 13 9.326 -12.200 7.850 1.00 10.00 H new ATOM 0 HD23 LEU A 13 10.916 -11.482 8.205 1.00 10.00 H new ATOM 195 N SER A 14 13.406 -13.041 3.718 1.00 10.00 N ATOM 196 CA SER A 14 14.198 -14.086 3.091 1.00 10.00 C ATOM 197 C SER A 14 13.354 -15.350 2.920 1.00 10.00 C ATOM 198 O SER A 14 13.731 -16.421 3.393 1.00 10.00 O ATOM 199 CB SER A 14 15.453 -14.392 3.910 1.00 10.00 C ATOM 200 OG SER A 14 16.212 -13.218 4.184 1.00 10.00 O ATOM 0 H SER A 14 13.309 -12.189 3.165 1.00 10.00 H new ATOM 0 HA SER A 14 14.515 -13.733 2.110 1.00 10.00 H new ATOM 0 HB2 SER A 14 15.166 -14.865 4.849 1.00 10.00 H new ATOM 0 HB3 SER A 14 16.073 -15.107 3.369 1.00 10.00 H new ATOM 0 HG SER A 14 15.682 -12.608 4.738 1.00 10.00 H new ATOM 206 N CYS A 15 12.228 -15.184 2.241 1.00 10.00 N ATOM 207 CA CYS A 15 11.325 -16.298 2.007 1.00 10.00 C ATOM 208 C CYS A 15 11.955 -17.216 0.958 1.00 10.00 C ATOM 209 O CYS A 15 12.719 -16.761 0.108 1.00 10.00 O ATOM 210 CB CYS A 15 9.934 -15.819 1.585 1.00 10.00 C ATOM 211 SG CYS A 15 9.894 -14.854 0.030 1.00 10.00 S ATOM 0 H CYS A 15 11.921 -14.295 1.846 1.00 10.00 H new ATOM 0 HA CYS A 15 11.181 -16.853 2.934 1.00 10.00 H new ATOM 0 HB2 CYS A 15 9.284 -16.687 1.474 1.00 10.00 H new ATOM 0 HB3 CYS A 15 9.517 -15.209 2.386 1.00 10.00 H new ATOM 216 N VAL A 16 11.612 -18.492 1.052 1.00 10.00 N ATOM 217 CA VAL A 16 11.994 -19.447 0.026 1.00 10.00 C ATOM 218 C VAL A 16 10.755 -20.217 -0.436 1.00 10.00 C ATOM 219 O VAL A 16 10.871 -21.272 -1.057 1.00 10.00 O ATOM 220 CB VAL A 16 13.104 -20.361 0.549 1.00 10.00 C ATOM 221 CG1 VAL A 16 13.878 -21.001 -0.606 1.00 10.00 C ATOM 222 CG2 VAL A 16 14.046 -19.599 1.484 1.00 10.00 C ATOM 0 H VAL A 16 11.074 -18.887 1.823 1.00 10.00 H new ATOM 0 HA VAL A 16 12.399 -18.930 -0.844 1.00 10.00 H new ATOM 0 HB VAL A 16 12.636 -21.161 1.123 1.00 10.00 H new ATOM 0 HG11 VAL A 16 14.661 -21.646 -0.206 1.00 10.00 H new ATOM 0 HG12 VAL A 16 13.197 -21.594 -1.216 1.00 10.00 H new ATOM 0 HG13 VAL A 16 14.329 -20.220 -1.219 1.00 10.00 H new ATOM 0 HG21 VAL A 16 14.826 -20.271 1.842 1.00 10.00 H new ATOM 0 HG22 VAL A 16 14.502 -18.769 0.944 1.00 10.00 H new ATOM 0 HG23 VAL A 16 13.482 -19.213 2.333 1.00 10.00 H new ATOM 232 N ALA A 17 9.597 -19.658 -0.115 1.00 10.00 N ATOM 233 CA ALA A 17 8.339 -20.320 -0.413 1.00 10.00 C ATOM 234 C ALA A 17 7.194 -19.315 -0.277 1.00 10.00 C ATOM 235 O ALA A 17 7.310 -18.330 0.451 1.00 10.00 O ATOM 236 CB ALA A 17 8.166 -21.528 0.510 1.00 10.00 C ATOM 0 H ALA A 17 9.504 -18.754 0.348 1.00 10.00 H new ATOM 0 HA ALA A 17 8.334 -20.689 -1.438 1.00 10.00 H new ATOM 0 HB1 ALA A 17 7.222 -22.025 0.286 1.00 10.00 H new ATOM 0 HB2 ALA A 17 8.989 -22.226 0.354 1.00 10.00 H new ATOM 0 HB3 ALA A 17 8.164 -21.195 1.548 1.00 10.00 H new ATOM 242 N ASN A 18 6.113 -19.597 -0.990 1.00 10.00 N ATOM 243 CA ASN A 18 5.026 -18.640 -1.113 1.00 10.00 C ATOM 244 C ASN A 18 4.246 -18.589 0.202 1.00 10.00 C ATOM 245 O ASN A 18 3.949 -17.509 0.710 1.00 10.00 O ATOM 246 CB ASN A 18 4.056 -19.049 -2.223 1.00 10.00 C ATOM 247 CG ASN A 18 4.762 -19.091 -3.580 1.00 10.00 C ATOM 248 OD1 ASN A 18 5.848 -18.565 -3.761 1.00 10.00 O ATOM 249 ND2 ASN A 18 4.086 -19.743 -4.522 1.00 10.00 N ATOM 0 H ASN A 18 5.967 -20.475 -1.489 1.00 10.00 H new ATOM 0 HA ASN A 18 5.457 -17.668 -1.351 1.00 10.00 H new ATOM 0 HB2 ASN A 18 3.633 -20.028 -1.999 1.00 10.00 H new ATOM 0 HB3 ASN A 18 3.225 -18.344 -2.263 1.00 10.00 H new ATOM 0 HD21 ASN A 18 4.472 -19.825 -5.462 1.00 10.00 H new ATOM 0 HD22 ASN A 18 3.181 -20.161 -4.304 1.00 10.00 H new ATOM 256 N ASN A 19 3.936 -19.771 0.715 1.00 10.00 N ATOM 257 CA ASN A 19 3.154 -19.875 1.936 1.00 10.00 C ATOM 258 C ASN A 19 3.932 -19.238 3.090 1.00 10.00 C ATOM 259 O ASN A 19 3.338 -18.654 3.995 1.00 10.00 O ATOM 260 CB ASN A 19 2.887 -21.337 2.296 1.00 10.00 C ATOM 261 CG ASN A 19 4.191 -22.134 2.357 1.00 10.00 C ATOM 262 OD1 ASN A 19 4.827 -22.413 1.354 1.00 10.00 O ATOM 263 ND2 ASN A 19 4.553 -22.485 3.588 1.00 10.00 N ATOM 0 H ASN A 19 4.212 -20.664 0.308 1.00 10.00 H new ATOM 0 HA ASN A 19 2.205 -19.365 1.773 1.00 10.00 H new ATOM 0 HB2 ASN A 19 2.378 -21.391 3.259 1.00 10.00 H new ATOM 0 HB3 ASN A 19 2.220 -21.781 1.557 1.00 10.00 H new ATOM 0 HD21 ASN A 19 5.409 -23.020 3.735 1.00 10.00 H new ATOM 0 HD22 ASN A 19 3.975 -22.219 4.385 1.00 10.00 H new ATOM 270 N TYR A 20 5.248 -19.373 3.020 1.00 10.00 N ATOM 271 CA TYR A 20 6.108 -18.884 4.084 1.00 10.00 C ATOM 272 C TYR A 20 6.049 -17.359 4.179 1.00 10.00 C ATOM 273 O TYR A 20 6.163 -16.796 5.267 1.00 10.00 O ATOM 274 CB TYR A 20 7.529 -19.306 3.705 1.00 10.00 C ATOM 275 CG TYR A 20 8.582 -18.961 4.760 1.00 10.00 C ATOM 276 CD1 TYR A 20 9.188 -17.721 4.751 1.00 10.00 C ATOM 277 CD2 TYR A 20 8.926 -19.890 5.721 1.00 10.00 C ATOM 278 CE1 TYR A 20 10.179 -17.397 5.744 1.00 10.00 C ATOM 279 CE2 TYR A 20 9.917 -19.566 6.714 1.00 10.00 C ATOM 280 CZ TYR A 20 10.495 -18.335 6.676 1.00 10.00 C ATOM 281 OH TYR A 20 11.431 -18.029 7.614 1.00 10.00 O ATOM 0 H TYR A 20 5.740 -19.814 2.243 1.00 10.00 H new ATOM 0 HA TYR A 20 5.795 -19.288 5.047 1.00 10.00 H new ATOM 0 HB2 TYR A 20 7.543 -20.382 3.530 1.00 10.00 H new ATOM 0 HB3 TYR A 20 7.801 -18.827 2.765 1.00 10.00 H new ATOM 0 HD1 TYR A 20 8.919 -16.994 3.999 1.00 10.00 H new ATOM 0 HD2 TYR A 20 8.452 -20.860 5.728 1.00 10.00 H new ATOM 0 HE1 TYR A 20 10.661 -16.430 5.748 1.00 10.00 H new ATOM 0 HE2 TYR A 20 10.195 -20.284 7.472 1.00 10.00 H new ATOM 0 HH TYR A 20 11.554 -18.793 8.215 1.00 10.00 H new ATOM 291 N CYS A 21 5.872 -16.732 3.025 1.00 10.00 N ATOM 292 CA CYS A 21 5.703 -15.290 2.975 1.00 10.00 C ATOM 293 C CYS A 21 4.279 -14.957 3.424 1.00 10.00 C ATOM 294 O CYS A 21 4.082 -14.142 4.325 1.00 10.00 O ATOM 295 CB CYS A 21 6.007 -14.733 1.583 1.00 10.00 C ATOM 296 SG CYS A 21 5.563 -12.974 1.346 1.00 10.00 S ATOM 0 H CYS A 21 5.842 -17.197 2.117 1.00 10.00 H new ATOM 0 HA CYS A 21 6.416 -14.814 3.649 1.00 10.00 H new ATOM 0 HB2 CYS A 21 7.072 -14.854 1.383 1.00 10.00 H new ATOM 0 HB3 CYS A 21 5.474 -15.330 0.844 1.00 10.00 H new ATOM 301 N ASP A 22 3.321 -15.604 2.776 1.00 10.00 N ATOM 302 CA ASP A 22 1.933 -15.187 2.880 1.00 10.00 C ATOM 303 C ASP A 22 1.552 -15.063 4.356 1.00 10.00 C ATOM 304 O ASP A 22 0.985 -14.054 4.772 1.00 10.00 O ATOM 305 CB ASP A 22 1.000 -16.214 2.235 1.00 10.00 C ATOM 306 CG ASP A 22 -0.490 -15.882 2.330 1.00 10.00 C ATOM 307 OD1 ASP A 22 -1.035 -15.146 1.494 1.00 10.00 O ATOM 308 OD2 ASP A 22 -1.107 -16.421 3.326 1.00 10.00 O ATOM 0 H ASP A 22 3.479 -16.414 2.177 1.00 10.00 H new ATOM 0 HA ASP A 22 1.828 -14.232 2.366 1.00 10.00 H new ATOM 0 HB2 ASP A 22 1.268 -16.316 1.183 1.00 10.00 H new ATOM 0 HB3 ASP A 22 1.172 -17.183 2.703 1.00 10.00 H new ATOM 314 N ASN A 23 1.879 -16.104 5.108 1.00 10.00 N ATOM 315 CA ASN A 23 1.420 -16.207 6.483 1.00 10.00 C ATOM 316 C ASN A 23 2.124 -15.146 7.332 1.00 10.00 C ATOM 317 O ASN A 23 1.556 -14.644 8.301 1.00 10.00 O ATOM 318 CB ASN A 23 1.751 -17.579 7.073 1.00 10.00 C ATOM 319 CG ASN A 23 3.198 -17.629 7.568 1.00 10.00 C ATOM 320 OD1 ASN A 23 3.496 -17.364 8.721 1.00 10.00 O ATOM 321 ND2 ASN A 23 4.077 -17.982 6.635 1.00 10.00 N ATOM 0 H ASN A 23 2.456 -16.883 4.791 1.00 10.00 H new ATOM 0 HA ASN A 23 0.340 -16.062 6.489 1.00 10.00 H new ATOM 0 HB2 ASN A 23 1.073 -17.797 7.898 1.00 10.00 H new ATOM 0 HB3 ASN A 23 1.594 -18.350 6.319 1.00 10.00 H new ATOM 0 HD21 ASN A 23 5.069 -18.044 6.866 1.00 10.00 H new ATOM 0 HD22 ASN A 23 3.760 -18.191 5.688 1.00 10.00 H new ATOM 328 N GLN A 24 3.350 -14.835 6.937 1.00 10.00 N ATOM 329 CA GLN A 24 4.229 -14.041 7.778 1.00 10.00 C ATOM 330 C GLN A 24 4.113 -12.559 7.417 1.00 10.00 C ATOM 331 O GLN A 24 4.591 -11.697 8.153 1.00 10.00 O ATOM 332 CB GLN A 24 5.677 -14.521 7.665 1.00 10.00 C ATOM 333 CG GLN A 24 6.478 -13.630 6.713 1.00 10.00 C ATOM 334 CD GLN A 24 7.826 -14.266 6.370 1.00 10.00 C ATOM 335 OE1 GLN A 24 8.171 -14.468 5.218 1.00 10.00 O ATOM 336 NE2 GLN A 24 8.566 -14.570 7.432 1.00 10.00 N ATOM 0 H GLN A 24 3.755 -15.119 6.045 1.00 10.00 H new ATOM 0 HA GLN A 24 3.919 -14.168 8.815 1.00 10.00 H new ATOM 0 HB2 GLN A 24 6.143 -14.517 8.650 1.00 10.00 H new ATOM 0 HB3 GLN A 24 5.696 -15.550 7.307 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.908 -13.463 5.799 1.00 10.00 H new ATOM 0 HG3 GLN A 24 6.638 -12.654 7.171 1.00 10.00 H new ATOM 0 HE21 GLN A 24 8.217 -14.374 8.370 1.00 10.00 H new ATOM 0 HE22 GLN A 24 9.483 -14.999 7.309 1.00 10.00 H new ATOM 345 N CYS A 25 3.474 -12.307 6.284 1.00 10.00 N ATOM 346 CA CYS A 25 3.103 -10.950 5.919 1.00 10.00 C ATOM 347 C CYS A 25 1.870 -10.554 6.733 1.00 10.00 C ATOM 348 O CYS A 25 1.830 -9.475 7.322 1.00 10.00 O ATOM 349 CB CYS A 25 2.861 -10.815 4.414 1.00 10.00 C ATOM 350 SG CYS A 25 4.363 -10.962 3.379 1.00 10.00 S ATOM 0 H CYS A 25 3.204 -13.020 5.606 1.00 10.00 H new ATOM 0 HA CYS A 25 3.924 -10.271 6.151 1.00 10.00 H new ATOM 0 HB2 CYS A 25 2.148 -11.579 4.105 1.00 10.00 H new ATOM 0 HB3 CYS A 25 2.396 -9.848 4.220 1.00 10.00 H new ATOM 355 N LYS A 26 0.892 -11.449 6.740 1.00 10.00 N ATOM 356 CA LYS A 26 -0.450 -11.088 7.164 1.00 10.00 C ATOM 357 C LYS A 26 -0.481 -10.962 8.689 1.00 10.00 C ATOM 358 O LYS A 26 -1.387 -10.343 9.245 1.00 10.00 O ATOM 359 CB LYS A 26 -1.473 -12.081 6.608 1.00 10.00 C ATOM 360 CG LYS A 26 -1.266 -13.474 7.207 1.00 10.00 C ATOM 361 CD LYS A 26 -2.592 -14.066 7.688 1.00 10.00 C ATOM 362 CE LYS A 26 -3.011 -13.455 9.027 1.00 10.00 C ATOM 363 NZ LYS A 26 -4.260 -14.083 9.514 1.00 10.00 N ATOM 0 H LYS A 26 1.003 -12.423 6.459 1.00 10.00 H new ATOM 0 HA LYS A 26 -0.730 -10.116 6.757 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -2.482 -11.732 6.830 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -1.384 -12.131 5.523 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -0.819 -14.132 6.461 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -0.566 -13.415 8.041 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -3.367 -13.885 6.943 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -2.496 -15.147 7.791 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -2.217 -13.593 9.761 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -3.157 -12.381 8.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -4.531 -13.657 10.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -5.019 -13.929 8.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -4.109 -15.104 9.641 1.00 10.00 H new ATOM 376 N MET A 27 0.519 -11.558 9.321 1.00 10.00 N ATOM 377 CA MET A 27 0.519 -11.686 10.768 1.00 10.00 C ATOM 378 C MET A 27 0.617 -10.315 11.440 1.00 10.00 C ATOM 379 O MET A 27 0.181 -10.144 12.577 1.00 10.00 O ATOM 380 CB MET A 27 1.702 -12.553 11.204 1.00 10.00 C ATOM 381 CG MET A 27 3.017 -11.777 11.108 1.00 10.00 C ATOM 382 SD MET A 27 4.397 -12.881 11.354 1.00 10.00 S ATOM 383 CE MET A 27 5.737 -11.702 11.377 1.00 10.00 C ATOM 0 H MET A 27 1.335 -11.958 8.857 1.00 10.00 H new ATOM 0 HA MET A 27 -0.418 -12.153 11.072 1.00 10.00 H new ATOM 0 HB2 MET A 27 1.550 -12.892 12.229 1.00 10.00 H new ATOM 0 HB3 MET A 27 1.755 -13.444 10.578 1.00 10.00 H new ATOM 0 HG2 MET A 27 3.095 -11.296 10.133 1.00 10.00 H new ATOM 0 HG3 MET A 27 3.037 -10.985 11.856 1.00 10.00 H new ATOM 0 HE1 MET A 27 6.681 -12.227 11.523 1.00 10.00 H new ATOM 0 HE2 MET A 27 5.764 -11.164 10.430 1.00 10.00 H new ATOM 0 HE3 MET A 27 5.585 -10.995 12.192 1.00 10.00 H new ATOM 393 N LYS A 28 1.193 -9.372 10.708 1.00 10.00 N ATOM 394 CA LYS A 28 1.504 -8.071 11.274 1.00 10.00 C ATOM 395 C LYS A 28 1.681 -7.056 10.142 1.00 10.00 C ATOM 396 O LYS A 28 0.953 -6.068 10.070 1.00 10.00 O ATOM 397 CB LYS A 28 2.712 -8.167 12.207 1.00 10.00 C ATOM 398 CG LYS A 28 2.976 -6.830 12.902 1.00 10.00 C ATOM 399 CD LYS A 28 4.420 -6.748 13.403 1.00 10.00 C ATOM 400 CE LYS A 28 4.678 -7.781 14.502 1.00 10.00 C ATOM 401 NZ LYS A 28 6.025 -7.591 15.085 1.00 10.00 N ATOM 0 H LYS A 28 1.452 -9.484 9.728 1.00 10.00 H new ATOM 0 HA LYS A 28 0.679 -7.719 11.893 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.538 -8.941 12.954 1.00 10.00 H new ATOM 0 HB3 LYS A 28 3.593 -8.465 11.638 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.781 -6.011 12.210 1.00 10.00 H new ATOM 0 HG3 LYS A 28 2.289 -6.710 13.740 1.00 10.00 H new ATOM 0 HD2 LYS A 28 5.107 -6.915 12.573 1.00 10.00 H new ATOM 0 HD3 LYS A 28 4.620 -5.747 13.785 1.00 10.00 H new ATOM 0 HE2 LYS A 28 3.922 -7.688 15.281 1.00 10.00 H new ATOM 0 HE3 LYS A 28 4.591 -8.787 14.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 6.184 -8.300 15.829 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 6.744 -7.702 14.342 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 6.095 -6.638 15.494 1.00 10.00 H new ATOM 414 N LYS A 29 2.652 -7.337 9.285 1.00 10.00 N ATOM 415 CA LYS A 29 3.234 -6.301 8.448 1.00 10.00 C ATOM 416 C LYS A 29 2.168 -5.770 7.487 1.00 10.00 C ATOM 417 O LYS A 29 2.098 -4.568 7.235 1.00 10.00 O ATOM 418 CB LYS A 29 4.489 -6.822 7.746 1.00 10.00 C ATOM 419 CG LYS A 29 5.610 -7.089 8.753 1.00 10.00 C ATOM 420 CD LYS A 29 6.364 -5.801 9.088 1.00 10.00 C ATOM 421 CE LYS A 29 7.473 -6.064 10.109 1.00 10.00 C ATOM 422 NZ LYS A 29 8.694 -6.556 9.433 1.00 10.00 N ATOM 0 H LYS A 29 3.050 -8.267 9.152 1.00 10.00 H new ATOM 0 HA LYS A 29 3.563 -5.459 9.057 1.00 10.00 H new ATOM 0 HB2 LYS A 29 4.254 -7.739 7.207 1.00 10.00 H new ATOM 0 HB3 LYS A 29 4.825 -6.095 7.007 1.00 10.00 H new ATOM 0 HG2 LYS A 29 5.191 -7.517 9.664 1.00 10.00 H new ATOM 0 HG3 LYS A 29 6.303 -7.825 8.345 1.00 10.00 H new ATOM 0 HD2 LYS A 29 6.794 -5.380 8.179 1.00 10.00 H new ATOM 0 HD3 LYS A 29 5.669 -5.061 9.484 1.00 10.00 H new ATOM 0 HE2 LYS A 29 7.697 -5.148 10.656 1.00 10.00 H new ATOM 0 HE3 LYS A 29 7.135 -6.797 10.841 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 9.436 -6.729 10.140 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 8.480 -7.442 8.931 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 9.025 -5.843 8.752 1.00 10.00 H new ATOM 435 N ALA A 30 1.364 -6.692 6.977 1.00 10.00 N ATOM 436 CA ALA A 30 0.543 -6.408 5.813 1.00 10.00 C ATOM 437 C ALA A 30 -0.752 -7.218 5.897 1.00 10.00 C ATOM 438 O ALA A 30 -1.034 -7.840 6.920 1.00 10.00 O ATOM 439 CB ALA A 30 1.338 -6.710 4.541 1.00 10.00 C ATOM 0 H ALA A 30 1.264 -7.636 7.349 1.00 10.00 H new ATOM 0 HA ALA A 30 0.270 -5.353 5.784 1.00 10.00 H new ATOM 0 HB1 ALA A 30 0.722 -6.497 3.668 1.00 10.00 H new ATOM 0 HB2 ALA A 30 2.232 -6.088 4.515 1.00 10.00 H new ATOM 0 HB3 ALA A 30 1.627 -7.761 4.533 1.00 10.00 H new ATOM 445 N SER A 31 -1.506 -7.184 4.808 1.00 10.00 N ATOM 446 CA SER A 31 -2.707 -7.994 4.704 1.00 10.00 C ATOM 447 C SER A 31 -2.362 -9.371 4.134 1.00 10.00 C ATOM 448 O SER A 31 -3.032 -10.358 4.436 1.00 10.00 O ATOM 449 CB SER A 31 -3.761 -7.308 3.832 1.00 10.00 C ATOM 450 OG SER A 31 -3.182 -6.680 2.691 1.00 10.00 O ATOM 0 H SER A 31 -1.308 -6.608 3.990 1.00 10.00 H new ATOM 0 HA SER A 31 -3.124 -8.115 5.704 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.497 -8.043 3.507 1.00 10.00 H new ATOM 0 HB3 SER A 31 -4.294 -6.564 4.424 1.00 10.00 H new ATOM 0 HG SER A 31 -2.300 -7.069 2.516 1.00 10.00 H new ATOM 456 N GLY A 32 -1.318 -9.395 3.320 1.00 10.00 N ATOM 457 CA GLY A 32 -0.892 -10.630 2.684 1.00 10.00 C ATOM 458 C GLY A 32 0.351 -10.403 1.821 1.00 10.00 C ATOM 459 O GLY A 32 1.094 -9.446 2.036 1.00 10.00 O ATOM 0 H GLY A 32 -0.754 -8.578 3.086 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -0.678 -11.380 3.445 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -1.700 -11.023 2.067 1.00 10.00 H new ATOM 463 N GLY A 33 0.539 -11.298 0.863 1.00 10.00 N ATOM 464 CA GLY A 33 1.522 -11.078 -0.184 1.00 10.00 C ATOM 465 C GLY A 33 2.102 -12.404 -0.679 1.00 10.00 C ATOM 466 O GLY A 33 1.531 -13.466 -0.435 1.00 10.00 O ATOM 0 H GLY A 33 0.027 -12.177 0.790 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.060 -10.546 -1.016 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.325 -10.444 0.193 1.00 10.00 H new ATOM 470 N HIS A 34 3.231 -12.300 -1.365 1.00 10.00 N ATOM 471 CA HIS A 34 3.763 -13.431 -2.107 1.00 10.00 C ATOM 472 C HIS A 34 5.292 -13.394 -2.072 1.00 10.00 C ATOM 473 O HIS A 34 5.885 -12.350 -1.804 1.00 10.00 O ATOM 474 CB HIS A 34 3.203 -13.460 -3.530 1.00 10.00 C ATOM 475 CG HIS A 34 3.441 -14.761 -4.258 1.00 10.00 C ATOM 476 ND1 HIS A 34 4.614 -15.037 -4.937 1.00 10.00 N ATOM 477 CD2 HIS A 34 2.645 -15.859 -4.403 1.00 10.00 C ATOM 478 CE1 HIS A 34 4.518 -16.248 -5.466 1.00 10.00 C ATOM 479 NE2 HIS A 34 3.296 -16.756 -5.134 1.00 10.00 N ATOM 0 H HIS A 34 3.792 -11.450 -1.423 1.00 10.00 H new ATOM 0 HA HIS A 34 3.446 -14.361 -1.636 1.00 10.00 H new ATOM 0 HB2 HIS A 34 2.131 -13.268 -3.491 1.00 10.00 H new ATOM 0 HB3 HIS A 34 3.652 -12.648 -4.102 1.00 10.00 H new ATOM 0 HD1 HIS A 34 5.417 -14.414 -5.017 1.00 10.00 H new ATOM 0 HD2 HIS A 34 1.653 -15.979 -3.993 1.00 10.00 H new ATOM 0 HE1 HIS A 34 5.274 -16.745 -6.056 1.00 10.00 H new ATOM 487 N CYS A 35 5.887 -14.545 -2.347 1.00 10.00 N ATOM 488 CA CYS A 35 7.333 -14.674 -2.288 1.00 10.00 C ATOM 489 C CYS A 35 7.894 -14.421 -3.689 1.00 10.00 C ATOM 490 O CYS A 35 7.768 -15.265 -4.574 1.00 10.00 O ATOM 491 CB CYS A 35 7.758 -16.038 -1.741 1.00 10.00 C ATOM 492 SG CYS A 35 9.553 -16.214 -1.430 1.00 10.00 S ATOM 0 H CYS A 35 5.394 -15.398 -2.612 1.00 10.00 H new ATOM 0 HA CYS A 35 7.739 -13.937 -1.596 1.00 10.00 H new ATOM 0 HB2 CYS A 35 7.222 -16.224 -0.810 1.00 10.00 H new ATOM 0 HB3 CYS A 35 7.448 -16.809 -2.446 1.00 10.00 H new ATOM 497 N TYR A 36 8.502 -13.254 -3.846 1.00 10.00 N ATOM 498 CA TYR A 36 9.071 -12.873 -5.128 1.00 10.00 C ATOM 499 C TYR A 36 10.592 -12.737 -5.035 1.00 10.00 C ATOM 500 O TYR A 36 11.105 -12.061 -4.145 1.00 10.00 O ATOM 501 CB TYR A 36 8.468 -11.508 -5.467 1.00 10.00 C ATOM 502 CG TYR A 36 8.953 -10.928 -6.797 1.00 10.00 C ATOM 503 CD1 TYR A 36 10.103 -10.166 -6.840 1.00 10.00 C ATOM 504 CD2 TYR A 36 8.239 -11.165 -7.955 1.00 10.00 C ATOM 505 CE1 TYR A 36 10.559 -9.620 -8.092 1.00 10.00 C ATOM 506 CE2 TYR A 36 8.695 -10.619 -9.207 1.00 10.00 C ATOM 507 CZ TYR A 36 9.832 -9.873 -9.213 1.00 10.00 C ATOM 508 OH TYR A 36 10.263 -9.357 -10.396 1.00 10.00 O ATOM 0 H TYR A 36 8.613 -12.560 -3.107 1.00 10.00 H new ATOM 0 HA TYR A 36 8.852 -13.627 -5.884 1.00 10.00 H new ATOM 0 HB2 TYR A 36 7.382 -11.599 -5.496 1.00 10.00 H new ATOM 0 HB3 TYR A 36 8.708 -10.807 -4.667 1.00 10.00 H new ATOM 0 HD1 TYR A 36 10.661 -9.979 -5.934 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.338 -11.760 -7.922 1.00 10.00 H new ATOM 0 HE1 TYR A 36 11.458 -9.023 -8.140 1.00 10.00 H new ATOM 0 HE2 TYR A 36 8.147 -10.798 -10.120 1.00 10.00 H new ATOM 0 HH TYR A 36 9.647 -9.619 -11.111 1.00 10.00 H new ATOM 518 N ALA A 37 11.271 -13.391 -5.966 1.00 10.00 N ATOM 519 CA ALA A 37 12.723 -13.378 -5.981 1.00 10.00 C ATOM 520 C ALA A 37 13.246 -13.581 -4.557 1.00 10.00 C ATOM 521 O ALA A 37 14.026 -12.772 -4.057 1.00 10.00 O ATOM 522 CB ALA A 37 13.216 -12.069 -6.601 1.00 10.00 C ATOM 0 H ALA A 37 10.842 -13.933 -6.716 1.00 10.00 H new ATOM 0 HA ALA A 37 13.107 -14.194 -6.593 1.00 10.00 H new ATOM 0 HB1 ALA A 37 14.306 -12.059 -6.612 1.00 10.00 H new ATOM 0 HB2 ALA A 37 12.842 -11.986 -7.621 1.00 10.00 H new ATOM 0 HB3 ALA A 37 12.852 -11.227 -6.012 1.00 10.00 H new ATOM 528 N MET A 38 12.794 -14.666 -3.945 1.00 10.00 N ATOM 529 CA MET A 38 13.274 -15.033 -2.623 1.00 10.00 C ATOM 530 C MET A 38 13.153 -13.859 -1.650 1.00 10.00 C ATOM 531 O MET A 38 13.972 -13.712 -0.744 1.00 10.00 O ATOM 532 CB MET A 38 14.737 -15.472 -2.715 1.00 10.00 C ATOM 533 CG MET A 38 14.882 -16.714 -3.597 1.00 10.00 C ATOM 534 SD MET A 38 15.233 -16.230 -5.279 1.00 10.00 S ATOM 535 CE MET A 38 16.990 -15.942 -5.159 1.00 10.00 C ATOM 0 H MET A 38 12.101 -15.302 -4.340 1.00 10.00 H new ATOM 0 HA MET A 38 12.662 -15.854 -2.250 1.00 10.00 H new ATOM 0 HB2 MET A 38 15.339 -14.660 -3.122 1.00 10.00 H new ATOM 0 HB3 MET A 38 15.120 -15.684 -1.717 1.00 10.00 H new ATOM 0 HG2 MET A 38 15.683 -17.348 -3.218 1.00 10.00 H new ATOM 0 HG3 MET A 38 13.966 -17.303 -3.563 1.00 10.00 H new ATOM 0 HE1 MET A 38 17.291 -15.212 -5.910 1.00 10.00 H new ATOM 0 HE2 MET A 38 17.229 -15.561 -4.166 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.524 -16.877 -5.328 1.00 10.00 H new ATOM 545 N SER A 39 12.126 -13.052 -1.871 1.00 10.00 N ATOM 546 CA SER A 39 11.883 -11.900 -1.019 1.00 10.00 C ATOM 547 C SER A 39 10.378 -11.684 -0.848 1.00 10.00 C ATOM 548 O SER A 39 9.640 -11.621 -1.830 1.00 10.00 O ATOM 549 CB SER A 39 12.537 -10.642 -1.594 1.00 10.00 C ATOM 550 OG SER A 39 13.908 -10.855 -1.920 1.00 10.00 O ATOM 0 H SER A 39 11.453 -13.173 -2.628 1.00 10.00 H new ATOM 0 HA SER A 39 12.329 -12.096 -0.044 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.996 -10.328 -2.487 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.458 -9.830 -0.872 1.00 10.00 H new ATOM 0 HG SER A 39 13.973 -11.496 -2.658 1.00 10.00 H new ATOM 556 N CYS A 40 9.967 -11.576 0.407 1.00 10.00 N ATOM 557 CA CYS A 40 8.552 -11.609 0.737 1.00 10.00 C ATOM 558 C CYS A 40 7.934 -10.269 0.334 1.00 10.00 C ATOM 559 O CYS A 40 7.978 -9.306 1.098 1.00 10.00 O ATOM 560 CB CYS A 40 8.323 -11.921 2.217 1.00 10.00 C ATOM 561 SG CYS A 40 6.569 -11.929 2.737 1.00 10.00 S ATOM 0 H CYS A 40 10.589 -11.466 1.208 1.00 10.00 H new ATOM 0 HA CYS A 40 8.066 -12.413 0.185 1.00 10.00 H new ATOM 0 HB2 CYS A 40 8.758 -12.895 2.440 1.00 10.00 H new ATOM 0 HB3 CYS A 40 8.862 -11.187 2.816 1.00 10.00 H new ATOM 566 N TYR A 41 7.371 -10.250 -0.866 1.00 10.00 N ATOM 567 CA TYR A 41 6.637 -9.085 -1.329 1.00 10.00 C ATOM 568 C TYR A 41 5.288 -8.967 -0.616 1.00 10.00 C ATOM 569 O TYR A 41 4.291 -9.526 -1.070 1.00 10.00 O ATOM 570 CB TYR A 41 6.393 -9.307 -2.823 1.00 10.00 C ATOM 571 CG TYR A 41 5.762 -8.109 -3.536 1.00 10.00 C ATOM 572 CD1 TYR A 41 6.517 -6.982 -3.790 1.00 10.00 C ATOM 573 CD2 TYR A 41 4.439 -8.155 -3.924 1.00 10.00 C ATOM 574 CE1 TYR A 41 5.924 -5.855 -4.461 1.00 10.00 C ATOM 575 CE2 TYR A 41 3.845 -7.028 -4.595 1.00 10.00 C ATOM 576 CZ TYR A 41 4.617 -5.933 -4.830 1.00 10.00 C ATOM 577 OH TYR A 41 4.057 -4.868 -5.464 1.00 10.00 O ATOM 0 H TYR A 41 7.409 -11.023 -1.531 1.00 10.00 H new ATOM 0 HA TYR A 41 7.199 -8.173 -1.128 1.00 10.00 H new ATOM 0 HB2 TYR A 41 7.342 -9.544 -3.304 1.00 10.00 H new ATOM 0 HB3 TYR A 41 5.745 -10.175 -2.950 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.553 -6.946 -3.485 1.00 10.00 H new ATOM 0 HD2 TYR A 41 3.848 -9.037 -3.724 1.00 10.00 H new ATOM 0 HE1 TYR A 41 6.504 -4.967 -4.667 1.00 10.00 H new ATOM 0 HE2 TYR A 41 2.811 -7.052 -4.905 1.00 10.00 H new ATOM 0 HH TYR A 41 3.119 -5.065 -5.669 1.00 10.00 H new ATOM 587 N CYS A 42 5.301 -8.236 0.489 1.00 10.00 N ATOM 588 CA CYS A 42 4.119 -8.124 1.326 1.00 10.00 C ATOM 589 C CYS A 42 3.250 -6.989 0.780 1.00 10.00 C ATOM 590 O CYS A 42 3.758 -6.058 0.158 1.00 10.00 O ATOM 591 CB CYS A 42 4.484 -7.907 2.796 1.00 10.00 C ATOM 592 SG CYS A 42 5.408 -9.285 3.568 1.00 10.00 S ATOM 0 H CYS A 42 6.112 -7.715 0.824 1.00 10.00 H new ATOM 0 HA CYS A 42 3.558 -9.058 1.294 1.00 10.00 H new ATOM 0 HB2 CYS A 42 5.080 -6.998 2.878 1.00 10.00 H new ATOM 0 HB3 CYS A 42 3.568 -7.740 3.363 1.00 10.00 H new ATOM 597 N GLU A 43 1.955 -7.104 1.033 1.00 10.00 N ATOM 598 CA GLU A 43 0.978 -6.305 0.313 1.00 10.00 C ATOM 599 C GLU A 43 -0.076 -5.759 1.279 1.00 10.00 C ATOM 600 O GLU A 43 -0.710 -6.521 2.007 1.00 10.00 O ATOM 601 CB GLU A 43 0.326 -7.115 -0.809 1.00 10.00 C ATOM 602 CG GLU A 43 1.344 -7.459 -1.899 1.00 10.00 C ATOM 603 CD GLU A 43 0.642 -7.909 -3.182 1.00 10.00 C ATOM 604 OE1 GLU A 43 0.583 -9.114 -3.466 1.00 10.00 O ATOM 605 OE2 GLU A 43 0.147 -6.955 -3.895 1.00 10.00 O ATOM 0 H GLU A 43 1.559 -7.739 1.727 1.00 10.00 H new ATOM 0 HA GLU A 43 1.494 -5.462 -0.146 1.00 10.00 H new ATOM 0 HB2 GLU A 43 -0.099 -8.032 -0.401 1.00 10.00 H new ATOM 0 HB3 GLU A 43 -0.497 -6.547 -1.242 1.00 10.00 H new ATOM 0 HG2 GLU A 43 1.967 -6.589 -2.107 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.007 -8.249 -1.546 1.00 10.00 H new ATOM 613 N GLY A 44 -0.231 -4.443 1.253 1.00 10.00 N ATOM 614 CA GLY A 44 -1.225 -3.791 2.088 1.00 10.00 C ATOM 615 C GLY A 44 -0.619 -3.355 3.424 1.00 10.00 C ATOM 616 O GLY A 44 -1.149 -3.677 4.485 1.00 10.00 O ATOM 0 H GLY A 44 0.315 -3.811 0.667 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.629 -2.923 1.568 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.057 -4.471 2.267 1.00 10.00 H new ATOM 620 N LEU A 45 0.485 -2.628 3.327 1.00 10.00 N ATOM 621 CA LEU A 45 1.180 -2.159 4.514 1.00 10.00 C ATOM 622 C LEU A 45 0.624 -0.792 4.918 1.00 10.00 C ATOM 623 O LEU A 45 0.026 -0.095 4.100 1.00 10.00 O ATOM 624 CB LEU A 45 2.693 -2.166 4.287 1.00 10.00 C ATOM 625 CG LEU A 45 3.347 -3.544 4.169 1.00 10.00 C ATOM 626 CD1 LEU A 45 3.560 -3.926 2.703 1.00 10.00 C ATOM 627 CD2 LEU A 45 4.648 -3.604 4.972 1.00 10.00 C ATOM 0 H LEU A 45 0.915 -2.352 2.444 1.00 10.00 H new ATOM 0 HA LEU A 45 1.004 -2.835 5.351 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.906 -1.605 3.377 1.00 10.00 H new ATOM 0 HB3 LEU A 45 3.166 -1.630 5.110 1.00 10.00 H new ATOM 0 HG LEU A 45 2.669 -4.282 4.599 1.00 10.00 H new ATOM 0 HD11 LEU A 45 4.026 -4.910 2.647 1.00 10.00 H new ATOM 0 HD12 LEU A 45 2.599 -3.951 2.190 1.00 10.00 H new ATOM 0 HD13 LEU A 45 4.207 -3.190 2.226 1.00 10.00 H new ATOM 0 HD21 LEU A 45 5.093 -4.594 4.871 1.00 10.00 H new ATOM 0 HD22 LEU A 45 5.343 -2.854 4.595 1.00 10.00 H new ATOM 0 HD23 LEU A 45 4.436 -3.407 6.023 1.00 10.00 H new ATOM 639 N PRO A 46 0.848 -0.440 6.212 1.00 10.00 N ATOM 640 CA PRO A 46 0.774 0.948 6.634 1.00 10.00 C ATOM 641 C PRO A 46 2.007 1.728 6.172 1.00 10.00 C ATOM 642 O PRO A 46 3.061 1.143 5.928 1.00 10.00 O ATOM 643 CB PRO A 46 0.638 0.893 8.147 1.00 10.00 C ATOM 644 CG PRO A 46 1.107 -0.493 8.557 1.00 10.00 C ATOM 645 CD PRO A 46 1.177 -1.351 7.304 1.00 10.00 C ATOM 0 HA PRO A 46 -0.069 1.478 6.191 1.00 10.00 H new ATOM 0 HB2 PRO A 46 1.242 1.666 8.622 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -0.394 1.062 8.453 1.00 10.00 H new ATOM 0 HG2 PRO A 46 2.084 -0.439 9.038 1.00 10.00 H new ATOM 0 HG3 PRO A 46 0.419 -0.930 9.281 1.00 10.00 H new ATOM 0 HD2 PRO A 46 2.170 -1.782 7.174 1.00 10.00 H new ATOM 0 HD3 PRO A 46 0.473 -2.181 7.353 1.00 10.00 H new ATOM 653 N GLU A 47 1.834 3.037 6.066 1.00 10.00 N ATOM 654 CA GLU A 47 2.758 3.855 5.299 1.00 10.00 C ATOM 655 C GLU A 47 3.982 4.209 6.145 1.00 10.00 C ATOM 656 O GLU A 47 4.912 4.853 5.661 1.00 10.00 O ATOM 657 CB GLU A 47 2.070 5.117 4.775 1.00 10.00 C ATOM 658 CG GLU A 47 1.009 4.769 3.729 1.00 10.00 C ATOM 659 CD GLU A 47 0.339 6.032 3.186 1.00 10.00 C ATOM 660 OE1 GLU A 47 0.678 6.488 2.083 1.00 10.00 O ATOM 661 OE2 GLU A 47 -0.564 6.543 3.952 1.00 10.00 O ATOM 0 H GLU A 47 1.067 3.552 6.499 1.00 10.00 H new ATOM 0 HA GLU A 47 3.091 3.279 4.436 1.00 10.00 H new ATOM 0 HB2 GLU A 47 1.607 5.654 5.603 1.00 10.00 H new ATOM 0 HB3 GLU A 47 2.812 5.785 4.337 1.00 10.00 H new ATOM 0 HG2 GLU A 47 1.469 4.216 2.910 1.00 10.00 H new ATOM 0 HG3 GLU A 47 0.257 4.116 4.172 1.00 10.00 H new ATOM 669 N ASN A 48 3.943 3.773 7.396 1.00 10.00 N ATOM 670 CA ASN A 48 5.053 4.005 8.304 1.00 10.00 C ATOM 671 C ASN A 48 6.127 2.940 8.074 1.00 10.00 C ATOM 672 O ASN A 48 7.269 3.102 8.500 1.00 10.00 O ATOM 673 CB ASN A 48 4.600 3.913 9.763 1.00 10.00 C ATOM 674 CG ASN A 48 4.124 2.498 10.100 1.00 10.00 C ATOM 675 OD1 ASN A 48 3.589 1.781 9.271 1.00 10.00 O ATOM 676 ND2 ASN A 48 4.349 2.139 11.361 1.00 10.00 N ATOM 0 H ASN A 48 3.160 3.260 7.802 1.00 10.00 H new ATOM 0 HA ASN A 48 5.444 5.004 8.110 1.00 10.00 H new ATOM 0 HB2 ASN A 48 5.423 4.190 10.422 1.00 10.00 H new ATOM 0 HB3 ASN A 48 3.794 4.624 9.943 1.00 10.00 H new ATOM 0 HD21 ASN A 48 4.069 1.214 11.686 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.802 2.789 12.003 1.00 10.00 H new ATOM 683 N ALA A 49 5.721 1.873 7.402 1.00 10.00 N ATOM 684 CA ALA A 49 6.585 0.715 7.242 1.00 10.00 C ATOM 685 C ALA A 49 7.568 0.971 6.098 1.00 10.00 C ATOM 686 O ALA A 49 7.160 1.325 4.993 1.00 10.00 O ATOM 687 CB ALA A 49 5.730 -0.532 7.009 1.00 10.00 C ATOM 0 H ALA A 49 4.805 1.786 6.962 1.00 10.00 H new ATOM 0 HA ALA A 49 7.170 0.545 8.146 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.378 -1.400 6.889 1.00 10.00 H new ATOM 0 HB2 ALA A 49 5.071 -0.686 7.864 1.00 10.00 H new ATOM 0 HB3 ALA A 49 5.131 -0.399 6.108 1.00 10.00 H new ATOM 693 N LYS A 50 8.843 0.783 6.402 1.00 10.00 N ATOM 694 CA LYS A 50 9.877 0.872 5.385 1.00 10.00 C ATOM 695 C LYS A 50 9.857 -0.397 4.531 1.00 10.00 C ATOM 696 O LYS A 50 10.078 -1.495 5.040 1.00 10.00 O ATOM 697 CB LYS A 50 11.236 1.162 6.025 1.00 10.00 C ATOM 698 CG LYS A 50 12.364 1.029 5.001 1.00 10.00 C ATOM 699 CD LYS A 50 12.249 2.101 3.916 1.00 10.00 C ATOM 700 CE LYS A 50 13.504 2.133 3.041 1.00 10.00 C ATOM 701 NZ LYS A 50 13.618 0.886 2.253 1.00 10.00 N ATOM 0 H LYS A 50 9.184 0.569 7.339 1.00 10.00 H new ATOM 0 HA LYS A 50 9.681 1.710 4.716 1.00 10.00 H new ATOM 0 HB2 LYS A 50 11.237 2.168 6.444 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.407 0.472 6.852 1.00 10.00 H new ATOM 0 HG2 LYS A 50 13.328 1.116 5.503 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.331 0.040 4.545 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.374 1.904 3.296 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.099 3.077 4.378 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.465 2.992 2.371 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.388 2.257 3.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.337 1.008 1.512 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.895 0.104 2.879 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.701 0.668 1.813 1.00 10.00 H new ATOM 714 N VAL A 51 9.592 -0.204 3.247 1.00 10.00 N ATOM 715 CA VAL A 51 9.657 -1.301 2.297 1.00 10.00 C ATOM 716 C VAL A 51 10.640 -0.944 1.179 1.00 10.00 C ATOM 717 O VAL A 51 11.007 0.219 1.019 1.00 10.00 O ATOM 718 CB VAL A 51 8.256 -1.629 1.778 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.255 -1.730 2.930 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.799 -0.598 0.744 1.00 10.00 C ATOM 0 H VAL A 51 9.332 0.696 2.843 1.00 10.00 H new ATOM 0 HA VAL A 51 10.029 -2.204 2.782 1.00 10.00 H new ATOM 0 HB VAL A 51 8.300 -2.600 1.286 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.267 -1.964 2.534 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.567 -2.518 3.615 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.217 -0.780 3.463 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.800 -0.855 0.391 1.00 10.00 H new ATOM 0 HG22 VAL A 51 7.779 0.391 1.201 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.491 -0.595 -0.098 1.00 10.00 H new ATOM 730 N SER A 52 11.038 -1.966 0.435 1.00 10.00 N ATOM 731 CA SER A 52 11.645 -1.751 -0.867 1.00 10.00 C ATOM 732 C SER A 52 10.738 -2.307 -1.966 1.00 10.00 C ATOM 733 O SER A 52 9.934 -3.205 -1.717 1.00 10.00 O ATOM 734 CB SER A 52 13.029 -2.401 -0.942 1.00 10.00 C ATOM 735 OG SER A 52 13.495 -2.508 -2.285 1.00 10.00 O ATOM 0 H SER A 52 10.952 -2.945 0.709 1.00 10.00 H new ATOM 0 HA SER A 52 11.767 -0.678 -1.015 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.738 -1.814 -0.358 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.989 -3.393 -0.492 1.00 10.00 H new ATOM 0 HG SER A 52 13.875 -1.650 -2.569 1.00 10.00 H new ATOM 741 N ASP A 53 10.896 -1.750 -3.158 1.00 10.00 N ATOM 742 CA ASP A 53 10.334 -2.361 -4.350 1.00 10.00 C ATOM 743 C ASP A 53 11.376 -2.336 -5.470 1.00 10.00 C ATOM 744 O ASP A 53 11.028 -2.220 -6.644 1.00 10.00 O ATOM 745 CB ASP A 53 9.102 -1.595 -4.834 1.00 10.00 C ATOM 746 CG ASP A 53 9.358 -0.139 -5.226 1.00 10.00 C ATOM 747 OD1 ASP A 53 9.349 0.763 -4.375 1.00 10.00 O ATOM 748 OD2 ASP A 53 9.578 0.057 -6.482 1.00 10.00 O ATOM 0 H ASP A 53 11.405 -0.882 -3.323 1.00 10.00 H new ATOM 0 HA ASP A 53 10.048 -3.383 -4.102 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.682 -2.118 -5.693 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.348 -1.616 -4.048 1.00 10.00 H new ATOM 754 N SER A 54 12.634 -2.446 -5.067 1.00 10.00 N ATOM 755 CA SER A 54 13.734 -2.074 -5.940 1.00 10.00 C ATOM 756 C SER A 54 14.707 -3.246 -6.084 1.00 10.00 C ATOM 757 O SER A 54 15.882 -3.128 -5.742 1.00 10.00 O ATOM 758 CB SER A 54 14.466 -0.840 -5.408 1.00 10.00 C ATOM 759 OG SER A 54 14.684 -0.914 -4.002 1.00 10.00 O ATOM 0 H SER A 54 12.915 -2.787 -4.148 1.00 10.00 H new ATOM 0 HA SER A 54 13.325 -1.827 -6.919 1.00 10.00 H new ATOM 0 HB2 SER A 54 15.424 -0.738 -5.919 1.00 10.00 H new ATOM 0 HB3 SER A 54 13.886 0.053 -5.638 1.00 10.00 H new ATOM 0 HG SER A 54 15.155 -0.109 -3.701 1.00 10.00 H new ATOM 765 N ALA A 55 14.181 -4.351 -6.593 1.00 10.00 N ATOM 766 CA ALA A 55 15.012 -5.502 -6.903 1.00 10.00 C ATOM 767 C ALA A 55 15.808 -5.901 -5.659 1.00 10.00 C ATOM 768 O ALA A 55 17.032 -6.005 -5.708 1.00 10.00 O ATOM 769 CB ALA A 55 15.916 -5.172 -8.093 1.00 10.00 C ATOM 0 H ALA A 55 13.189 -4.473 -6.798 1.00 10.00 H new ATOM 0 HA ALA A 55 14.396 -6.355 -7.187 1.00 10.00 H new ATOM 0 HB1 ALA A 55 16.540 -6.035 -8.326 1.00 10.00 H new ATOM 0 HB2 ALA A 55 15.302 -4.924 -8.959 1.00 10.00 H new ATOM 0 HB3 ALA A 55 16.551 -4.322 -7.843 1.00 10.00 H new ATOM 775 N THR A 56 15.080 -6.115 -4.573 1.00 10.00 N ATOM 776 CA THR A 56 15.699 -6.533 -3.327 1.00 10.00 C ATOM 777 C THR A 56 16.478 -5.373 -2.703 1.00 10.00 C ATOM 778 O THR A 56 16.131 -4.897 -1.624 1.00 10.00 O ATOM 779 CB THR A 56 16.565 -7.760 -3.618 1.00 10.00 C ATOM 780 OG1 THR A 56 15.744 -8.576 -4.449 1.00 10.00 O ATOM 781 CG2 THR A 56 16.803 -8.617 -2.373 1.00 10.00 C ATOM 0 H THR A 56 14.067 -6.007 -4.530 1.00 10.00 H new ATOM 0 HA THR A 56 14.949 -6.814 -2.588 1.00 10.00 H new ATOM 0 HB THR A 56 17.523 -7.439 -4.027 1.00 10.00 H new ATOM 0 HG1 THR A 56 16.229 -9.393 -4.687 1.00 10.00 H new ATOM 0 HG21 THR A 56 17.423 -9.475 -2.635 1.00 10.00 H new ATOM 0 HG22 THR A 56 17.309 -8.022 -1.613 1.00 10.00 H new ATOM 0 HG23 THR A 56 15.847 -8.966 -1.983 1.00 10.00 H new ATOM 789 N ASN A 57 17.517 -4.952 -3.410 1.00 10.00 N ATOM 790 CA ASN A 57 18.173 -3.694 -3.099 1.00 10.00 C ATOM 791 C ASN A 57 18.947 -3.838 -1.787 1.00 10.00 C ATOM 792 O ASN A 57 19.589 -2.892 -1.334 1.00 10.00 O ATOM 793 CB ASN A 57 17.152 -2.568 -2.924 1.00 10.00 C ATOM 794 CG ASN A 57 17.270 -1.931 -1.538 1.00 10.00 C ATOM 795 OD1 ASN A 57 17.988 -0.967 -1.329 1.00 10.00 O ATOM 796 ND2 ASN A 57 16.527 -2.522 -0.606 1.00 10.00 N ATOM 0 H ASN A 57 17.920 -5.460 -4.197 1.00 10.00 H new ATOM 0 HA ASN A 57 18.841 -3.450 -3.925 1.00 10.00 H new ATOM 0 HB2 ASN A 57 17.307 -1.809 -3.691 1.00 10.00 H new ATOM 0 HB3 ASN A 57 16.145 -2.961 -3.063 1.00 10.00 H new ATOM 0 HD21 ASN A 57 16.536 -2.171 0.352 1.00 10.00 H new ATOM 0 HD22 ASN A 57 15.948 -3.326 -0.849 1.00 10.00 H new ATOM 803 N ILE A 58 18.861 -5.029 -1.214 1.00 10.00 N ATOM 804 CA ILE A 58 19.323 -5.240 0.147 1.00 10.00 C ATOM 805 C ILE A 58 20.006 -6.606 0.244 1.00 10.00 C ATOM 806 O ILE A 58 19.910 -7.418 -0.675 1.00 10.00 O ATOM 807 CB ILE A 58 18.172 -5.056 1.139 1.00 10.00 C ATOM 808 CG1 ILE A 58 18.571 -4.108 2.271 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.683 -6.406 1.667 1.00 10.00 C ATOM 810 CD1 ILE A 58 17.363 -3.756 3.142 1.00 10.00 C ATOM 0 H ILE A 58 18.478 -5.858 -1.668 1.00 10.00 H new ATOM 0 HA ILE A 58 20.068 -4.491 0.416 1.00 10.00 H new ATOM 0 HB ILE A 58 17.337 -4.595 0.612 1.00 10.00 H new ATOM 0 HG12 ILE A 58 19.343 -4.573 2.884 1.00 10.00 H new ATOM 0 HG13 ILE A 58 19.001 -3.197 1.853 1.00 10.00 H new ATOM 0 HG21 ILE A 58 16.865 -6.247 2.370 1.00 10.00 H new ATOM 0 HG22 ILE A 58 17.333 -7.017 0.835 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.502 -6.917 2.173 1.00 10.00 H new ATOM 0 HD11 ILE A 58 17.674 -3.081 3.939 1.00 10.00 H new ATOM 0 HD12 ILE A 58 16.603 -3.270 2.531 1.00 10.00 H new ATOM 0 HD13 ILE A 58 16.951 -4.666 3.577 1.00 10.00 H new ATOM 822 N CYS A 59 20.680 -6.818 1.365 1.00 10.00 N ATOM 823 CA CYS A 59 21.583 -7.949 1.493 1.00 10.00 C ATOM 824 C CYS A 59 20.758 -9.182 1.869 1.00 10.00 C ATOM 825 O CYS A 59 21.035 -9.835 2.874 1.00 10.00 O ATOM 826 CB CYS A 59 22.694 -7.673 2.508 1.00 10.00 C ATOM 827 SG CYS A 59 22.152 -7.669 4.256 1.00 10.00 S ATOM 0 H CYS A 59 20.619 -6.225 2.193 1.00 10.00 H new ATOM 0 HA CYS A 59 22.086 -8.126 0.542 1.00 10.00 H new ATOM 0 HB2 CYS A 59 23.474 -8.425 2.386 1.00 10.00 H new ATOM 0 HB3 CYS A 59 23.144 -6.707 2.279 1.00 10.00 H new ATOM 832 N GLY A 60 19.762 -9.463 1.043 1.00 10.00 N ATOM 833 CA GLY A 60 18.801 -10.506 1.357 1.00 10.00 C ATOM 834 C GLY A 60 19.454 -11.889 1.298 1.00 10.00 C ATOM 835 O GLY A 60 19.448 -12.538 0.254 1.00 10.00 O ATOM 0 H GLY A 60 19.599 -8.986 0.156 1.00 10.00 H new ATOM 0 HA2 GLY A 60 18.388 -10.337 2.351 1.00 10.00 H new ATOM 0 HA3 GLY A 60 17.969 -10.462 0.654 1.00 10.00 H new TER 839 GLY A 60