USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=21 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 156:sc= 0.435 USER MOD Set 1.2: A 54 SER OG : rot 86:sc= 1.23 USER MOD Set 1.3: A 57 ASN :FLIP amide:sc= -1.45! C(o=-1.8!,f=0.21!) USER MOD Set 2.1: A 14 SER OG : rot -50:sc= 1.22 USER MOD Set 2.2: A 39 SER OG : rot 48:sc= 2.25 USER MOD Single : A 1 LYS N :NH3+ 158:sc= 0.637 (180deg=0.481) USER MOD Single : A 1 LYS NZ :NH3+ -144:sc= 0.0371 (180deg=-1.07) USER MOD Single : A 4 TYR OH : rot -49:sc= 1.94 USER MOD Single : A 8 SER OG : rot -77:sc= 0.958 USER MOD Single : A 9 LYS NZ :NH3+ -122:sc= -0.8! (180deg=-4.43!) USER MOD Single : A 12 LYS NZ :NH3+ -127:sc= -0.827 (180deg=-1.29) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.6!) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.0523 (180deg=-0.444) USER MOD Single : A 27 MET CE :methyl -174:sc= 0 (180deg=-0.00649) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0975 (180deg=-0.337) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.976 (180deg=0.449) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.53) 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= -0.671 K(o=-0.67,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.71 (180deg=0.41) USER MOD Single : A 56 THR OG1 : rot -112:sc= 0.112 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 1.233 0.752 1.00 10.00 C ATOM 4 O LYS A 1 1.178 2.119 1.094 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 -0.111 -1.429 1.00 10.00 C ATOM 6 CG LYS A 1 1.847 1.218 -2.173 1.00 10.00 C ATOM 7 CD LYS A 1 2.085 1.035 -3.673 1.00 10.00 C ATOM 8 CE LYS A 1 3.443 0.380 -3.936 1.00 10.00 C ATOM 9 NZ LYS A 1 3.951 0.760 -5.274 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.585 -0.787 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.389 0.900 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.974 -0.113 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -0.875 0.528 1.00 10.00 H new ATOM 0 HB2 LYS A 1 3.037 -0.409 -1.406 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.448 -0.891 -1.964 1.00 10.00 H new ATOM 0 HG2 LYS A 1 0.851 1.627 -2.007 1.00 10.00 H new ATOM 0 HG3 LYS A 1 2.559 1.940 -1.774 1.00 10.00 H new ATOM 0 HD2 LYS A 1 1.292 0.420 -4.098 1.00 10.00 H new ATOM 0 HD3 LYS A 1 2.041 2.003 -4.173 1.00 10.00 H new ATOM 0 HE2 LYS A 1 4.155 0.686 -3.170 1.00 10.00 H new ATOM 0 HE3 LYS A 1 3.350 -0.704 -3.870 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 4.455 -0.046 -5.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 3.153 1.028 -5.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 4.602 1.565 -5.182 1.00 10.00 H new ATOM 22 N ASP A 2 3.262 1.249 0.988 1.00 10.00 N ATOM 23 CA ASP A 2 3.884 2.367 1.677 1.00 10.00 C ATOM 24 C ASP A 2 5.284 2.599 1.104 1.00 10.00 C ATOM 25 O ASP A 2 5.948 1.656 0.678 1.00 10.00 O ATOM 26 CB ASP A 2 4.028 2.081 3.173 1.00 10.00 C ATOM 27 CG ASP A 2 2.853 1.330 3.803 1.00 10.00 C ATOM 28 OD1 ASP A 2 2.916 0.110 4.018 1.00 10.00 O ATOM 29 OD2 ASP A 2 1.826 2.059 4.080 1.00 10.00 O ATOM 0 H ASP A 2 3.905 0.506 0.714 1.00 10.00 H new ATOM 0 HA ASP A 2 3.251 3.243 1.536 1.00 10.00 H new ATOM 0 HB2 ASP A 2 4.937 1.501 3.331 1.00 10.00 H new ATOM 0 HB3 ASP A 2 4.158 3.027 3.698 1.00 10.00 H new ATOM 35 N GLY A 3 5.690 3.860 1.112 1.00 10.00 N ATOM 36 CA GLY A 3 6.997 4.229 0.594 1.00 10.00 C ATOM 37 C GLY A 3 7.033 5.706 0.198 1.00 10.00 C ATOM 38 O GLY A 3 6.232 6.503 0.684 1.00 10.00 O ATOM 0 H GLY A 3 5.137 4.639 1.469 1.00 10.00 H new ATOM 0 HA2 GLY A 3 7.760 4.032 1.348 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.237 3.611 -0.271 1.00 10.00 H new ATOM 42 N TYR A 4 7.970 6.027 -0.682 1.00 10.00 N ATOM 43 CA TYR A 4 8.048 7.368 -1.237 1.00 10.00 C ATOM 44 C TYR A 4 7.440 7.417 -2.640 1.00 10.00 C ATOM 45 O TYR A 4 8.006 6.871 -3.585 1.00 10.00 O ATOM 46 CB TYR A 4 9.539 7.700 -1.328 1.00 10.00 C ATOM 47 CG TYR A 4 10.376 7.125 -0.184 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.275 7.663 1.083 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.232 6.068 -0.418 1.00 10.00 C ATOM 50 CE1 TYR A 4 11.063 7.122 2.160 1.00 10.00 C ATOM 51 CE2 TYR A 4 12.020 5.526 0.659 1.00 10.00 C ATOM 52 CZ TYR A 4 11.896 6.080 1.895 1.00 10.00 C ATOM 53 OH TYR A 4 12.640 5.569 2.912 1.00 10.00 O ATOM 0 H TYR A 4 8.682 5.382 -1.025 1.00 10.00 H new ATOM 0 HA TYR A 4 7.499 8.074 -0.614 1.00 10.00 H new ATOM 0 HB2 TYR A 4 9.928 7.323 -2.274 1.00 10.00 H new ATOM 0 HB3 TYR A 4 9.659 8.783 -1.343 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.605 8.490 1.267 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.311 5.647 -1.409 1.00 10.00 H new ATOM 0 HE1 TYR A 4 10.994 7.534 3.156 1.00 10.00 H new ATOM 0 HE2 TYR A 4 12.694 4.699 0.489 1.00 10.00 H new ATOM 0 HH TYR A 4 13.088 6.299 3.389 1.00 10.00 H new ATOM 63 N PRO A 5 6.264 8.095 -2.733 1.00 10.00 N ATOM 64 CA PRO A 5 5.504 8.107 -3.971 1.00 10.00 C ATOM 65 C PRO A 5 6.155 9.026 -5.006 1.00 10.00 C ATOM 66 O PRO A 5 6.873 9.958 -4.649 1.00 10.00 O ATOM 67 CB PRO A 5 4.108 8.558 -3.570 1.00 10.00 C ATOM 68 CG PRO A 5 4.259 9.225 -2.213 1.00 10.00 C ATOM 69 CD PRO A 5 5.631 8.864 -1.666 1.00 10.00 C ATOM 0 HA PRO A 5 5.470 7.130 -4.454 1.00 10.00 H new ATOM 0 HB2 PRO A 5 3.696 9.252 -4.303 1.00 10.00 H new ATOM 0 HB3 PRO A 5 3.425 7.711 -3.515 1.00 10.00 H new ATOM 0 HG2 PRO A 5 4.157 10.306 -2.306 1.00 10.00 H new ATOM 0 HG3 PRO A 5 3.476 8.889 -1.533 1.00 10.00 H new ATOM 0 HD2 PRO A 5 6.209 9.756 -1.425 1.00 10.00 H new ATOM 0 HD3 PRO A 5 5.551 8.279 -0.750 1.00 10.00 H new ATOM 77 N VAL A 6 5.881 8.731 -6.268 1.00 10.00 N ATOM 78 CA VAL A 6 6.392 9.548 -7.356 1.00 10.00 C ATOM 79 C VAL A 6 5.233 9.958 -8.267 1.00 10.00 C ATOM 80 O VAL A 6 4.315 9.173 -8.502 1.00 10.00 O ATOM 81 CB VAL A 6 7.500 8.797 -8.097 1.00 10.00 C ATOM 82 CG1 VAL A 6 8.432 8.085 -7.115 1.00 10.00 C ATOM 83 CG2 VAL A 6 6.912 7.812 -9.109 1.00 10.00 C ATOM 0 H VAL A 6 5.312 7.937 -6.562 1.00 10.00 H new ATOM 0 HA VAL A 6 6.841 10.463 -6.970 1.00 10.00 H new ATOM 0 HB VAL A 6 8.091 9.529 -8.647 1.00 10.00 H new ATOM 0 HG11 VAL A 6 9.210 7.559 -7.668 1.00 10.00 H new ATOM 0 HG12 VAL A 6 8.891 8.818 -6.452 1.00 10.00 H new ATOM 0 HG13 VAL A 6 7.860 7.369 -6.524 1.00 10.00 H new ATOM 0 HG21 VAL A 6 7.721 7.291 -9.622 1.00 10.00 H new ATOM 0 HG22 VAL A 6 6.286 7.087 -8.589 1.00 10.00 H new ATOM 0 HG23 VAL A 6 6.310 8.355 -9.838 1.00 10.00 H new ATOM 93 N ASP A 7 5.314 11.186 -8.757 1.00 10.00 N ATOM 94 CA ASP A 7 4.439 11.623 -9.831 1.00 10.00 C ATOM 95 C ASP A 7 4.762 13.075 -10.188 1.00 10.00 C ATOM 96 O ASP A 7 5.326 13.347 -11.247 1.00 10.00 O ATOM 97 CB ASP A 7 2.970 11.555 -9.407 1.00 10.00 C ATOM 98 CG ASP A 7 2.715 11.797 -7.918 1.00 10.00 C ATOM 99 OD1 ASP A 7 2.817 12.931 -7.428 1.00 10.00 O ATOM 100 OD2 ASP A 7 2.396 10.745 -7.242 1.00 10.00 O ATOM 0 H ASP A 7 5.973 11.893 -8.430 1.00 10.00 H new ATOM 0 HA ASP A 7 4.599 10.964 -10.685 1.00 10.00 H new ATOM 0 HB2 ASP A 7 2.407 12.291 -9.981 1.00 10.00 H new ATOM 0 HB3 ASP A 7 2.576 10.574 -9.673 1.00 10.00 H new ATOM 106 N SER A 8 4.389 13.970 -9.285 1.00 10.00 N ATOM 107 CA SER A 8 4.002 15.314 -9.678 1.00 10.00 C ATOM 108 C SER A 8 5.248 16.171 -9.908 1.00 10.00 C ATOM 109 O SER A 8 5.168 17.239 -10.513 1.00 10.00 O ATOM 110 CB SER A 8 3.101 15.958 -8.623 1.00 10.00 C ATOM 111 OG SER A 8 3.501 15.616 -7.299 1.00 10.00 O ATOM 0 H SER A 8 4.347 13.790 -8.282 1.00 10.00 H new ATOM 0 HA SER A 8 3.437 15.250 -10.608 1.00 10.00 H new ATOM 0 HB2 SER A 8 3.123 17.041 -8.740 1.00 10.00 H new ATOM 0 HB3 SER A 8 2.071 15.641 -8.784 1.00 10.00 H new ATOM 0 HG SER A 8 3.201 14.706 -7.091 1.00 10.00 H new ATOM 117 N LYS A 9 6.371 15.672 -9.412 1.00 10.00 N ATOM 118 CA LYS A 9 7.648 16.321 -9.651 1.00 10.00 C ATOM 119 C LYS A 9 8.608 15.324 -10.303 1.00 10.00 C ATOM 120 O LYS A 9 9.818 15.543 -10.322 1.00 10.00 O ATOM 121 CB LYS A 9 8.186 16.938 -8.359 1.00 10.00 C ATOM 122 CG LYS A 9 8.385 15.869 -7.282 1.00 10.00 C ATOM 123 CD LYS A 9 7.328 15.993 -6.183 1.00 10.00 C ATOM 124 CE LYS A 9 7.676 17.126 -5.215 1.00 10.00 C ATOM 125 NZ LYS A 9 8.673 16.670 -4.221 1.00 10.00 N ATOM 0 H LYS A 9 6.422 14.825 -8.845 1.00 10.00 H new ATOM 0 HA LYS A 9 7.529 17.151 -10.347 1.00 10.00 H new ATOM 0 HB2 LYS A 9 9.133 17.439 -8.558 1.00 10.00 H new ATOM 0 HB3 LYS A 9 7.493 17.698 -7.998 1.00 10.00 H new ATOM 0 HG2 LYS A 9 8.330 14.878 -7.734 1.00 10.00 H new ATOM 0 HG3 LYS A 9 9.380 15.967 -6.847 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.352 16.179 -6.631 1.00 10.00 H new ATOM 0 HD3 LYS A 9 7.254 15.053 -5.637 1.00 10.00 H new ATOM 0 HE2 LYS A 9 8.070 17.978 -5.769 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.775 17.466 -4.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 8.288 16.791 -3.263 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 8.890 15.666 -4.383 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 9.542 17.232 -4.318 1.00 10.00 H new ATOM 138 N GLY A 10 8.032 14.249 -10.821 1.00 10.00 N ATOM 139 CA GLY A 10 8.824 13.208 -11.455 1.00 10.00 C ATOM 140 C GLY A 10 9.345 12.208 -10.421 1.00 10.00 C ATOM 141 O GLY A 10 8.952 11.042 -10.427 1.00 10.00 O ATOM 0 H GLY A 10 7.027 14.076 -10.815 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.219 12.687 -12.197 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.663 13.657 -11.986 1.00 10.00 H new ATOM 145 N CYS A 11 10.221 12.700 -9.558 1.00 10.00 N ATOM 146 CA CYS A 11 10.855 11.848 -8.567 1.00 10.00 C ATOM 147 C CYS A 11 10.546 12.413 -7.179 1.00 10.00 C ATOM 148 O CYS A 11 10.938 13.535 -6.860 1.00 10.00 O ATOM 149 CB CYS A 11 12.360 11.721 -8.809 1.00 10.00 C ATOM 150 SG CYS A 11 12.819 10.811 -10.329 1.00 10.00 S ATOM 0 H CYS A 11 10.507 13.679 -9.525 1.00 10.00 H new ATOM 0 HA CYS A 11 10.455 10.837 -8.644 1.00 10.00 H new ATOM 0 HB2 CYS A 11 12.792 12.721 -8.857 1.00 10.00 H new ATOM 0 HB3 CYS A 11 12.810 11.220 -7.952 1.00 10.00 H new ATOM 155 N LYS A 12 9.845 11.611 -6.391 1.00 10.00 N ATOM 156 CA LYS A 12 9.959 11.696 -4.945 1.00 10.00 C ATOM 157 C LYS A 12 9.193 12.924 -4.449 1.00 10.00 C ATOM 158 O LYS A 12 9.606 14.057 -4.692 1.00 10.00 O ATOM 159 CB LYS A 12 11.429 11.675 -4.521 1.00 10.00 C ATOM 160 CG LYS A 12 12.061 10.310 -4.800 1.00 10.00 C ATOM 161 CD LYS A 12 11.778 9.331 -3.658 1.00 10.00 C ATOM 162 CE LYS A 12 12.003 7.886 -4.107 1.00 10.00 C ATOM 163 NZ LYS A 12 10.862 7.412 -4.922 1.00 10.00 N ATOM 0 H LYS A 12 9.196 10.899 -6.727 1.00 10.00 H new ATOM 0 HA LYS A 12 9.504 10.824 -4.475 1.00 10.00 H new ATOM 0 HB2 LYS A 12 11.977 12.450 -5.057 1.00 10.00 H new ATOM 0 HB3 LYS A 12 11.508 11.906 -3.459 1.00 10.00 H new ATOM 0 HG2 LYS A 12 11.669 9.908 -5.734 1.00 10.00 H new ATOM 0 HG3 LYS A 12 13.137 10.423 -4.929 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.426 9.558 -2.811 1.00 10.00 H new ATOM 0 HD3 LYS A 12 10.751 9.453 -3.315 1.00 10.00 H new ATOM 0 HE2 LYS A 12 12.924 7.818 -4.686 1.00 10.00 H new ATOM 0 HE3 LYS A 12 12.127 7.243 -3.235 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 10.501 6.520 -4.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 10.106 8.126 -4.910 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 11.176 7.256 -5.901 1.00 10.00 H new ATOM 176 N LEU A 13 8.092 12.658 -3.763 1.00 10.00 N ATOM 177 CA LEU A 13 7.519 13.639 -2.857 1.00 10.00 C ATOM 178 C LEU A 13 8.462 13.843 -1.670 1.00 10.00 C ATOM 179 O LEU A 13 8.610 12.956 -0.830 1.00 10.00 O ATOM 180 CB LEU A 13 6.101 13.231 -2.453 1.00 10.00 C ATOM 181 CG LEU A 13 4.987 13.621 -3.427 1.00 10.00 C ATOM 182 CD1 LEU A 13 5.045 12.767 -4.696 1.00 10.00 C ATOM 183 CD2 LEU A 13 3.617 13.549 -2.751 1.00 10.00 C ATOM 0 H LEU A 13 7.581 11.777 -3.816 1.00 10.00 H new ATOM 0 HA LEU A 13 7.419 14.604 -3.354 1.00 10.00 H new ATOM 0 HB2 LEU A 13 6.079 12.149 -2.322 1.00 10.00 H new ATOM 0 HB3 LEU A 13 5.879 13.675 -1.482 1.00 10.00 H new ATOM 0 HG LEU A 13 5.144 14.657 -3.728 1.00 10.00 H new ATOM 0 HD11 LEU A 13 4.243 13.064 -5.372 1.00 10.00 H new ATOM 0 HD12 LEU A 13 6.007 12.912 -5.189 1.00 10.00 H new ATOM 0 HD13 LEU A 13 4.927 11.716 -4.433 1.00 10.00 H new ATOM 0 HD21 LEU A 13 2.844 13.831 -3.465 1.00 10.00 H new ATOM 0 HD22 LEU A 13 3.436 12.532 -2.403 1.00 10.00 H new ATOM 0 HD23 LEU A 13 3.594 14.233 -1.902 1.00 10.00 H new ATOM 195 N SER A 14 9.075 15.017 -1.637 1.00 10.00 N ATOM 196 CA SER A 14 10.175 15.261 -0.719 1.00 10.00 C ATOM 197 C SER A 14 9.758 16.289 0.335 1.00 10.00 C ATOM 198 O SER A 14 9.608 17.471 0.030 1.00 10.00 O ATOM 199 CB SER A 14 11.420 15.744 -1.467 1.00 10.00 C ATOM 200 OG SER A 14 11.897 14.771 -2.392 1.00 10.00 O ATOM 0 H SER A 14 8.831 15.810 -2.231 1.00 10.00 H new ATOM 0 HA SER A 14 10.423 14.322 -0.224 1.00 10.00 H new ATOM 0 HB2 SER A 14 11.188 16.667 -1.999 1.00 10.00 H new ATOM 0 HB3 SER A 14 12.206 15.978 -0.749 1.00 10.00 H new ATOM 0 HG SER A 14 11.985 13.906 -1.940 1.00 10.00 H new ATOM 206 N CYS A 15 9.582 15.800 1.554 1.00 10.00 N ATOM 207 CA CYS A 15 9.291 16.676 2.677 1.00 10.00 C ATOM 208 C CYS A 15 10.534 17.520 2.962 1.00 10.00 C ATOM 209 O CYS A 15 11.650 17.116 2.641 1.00 10.00 O ATOM 210 CB CYS A 15 8.842 15.887 3.908 1.00 10.00 C ATOM 211 SG CYS A 15 10.030 14.619 4.482 1.00 10.00 S ATOM 0 H CYS A 15 9.635 14.809 1.789 1.00 10.00 H new ATOM 0 HA CYS A 15 8.458 17.332 2.424 1.00 10.00 H new ATOM 0 HB2 CYS A 15 8.657 16.587 4.723 1.00 10.00 H new ATOM 0 HB3 CYS A 15 7.893 15.400 3.684 1.00 10.00 H new ATOM 216 N VAL A 16 10.299 18.678 3.562 1.00 10.00 N ATOM 217 CA VAL A 16 11.391 19.547 3.965 1.00 10.00 C ATOM 218 C VAL A 16 11.203 19.950 5.429 1.00 10.00 C ATOM 219 O VAL A 16 11.810 20.913 5.895 1.00 10.00 O ATOM 220 CB VAL A 16 11.479 20.749 3.022 1.00 10.00 C ATOM 221 CG1 VAL A 16 11.835 20.306 1.601 1.00 10.00 C ATOM 222 CG2 VAL A 16 10.177 21.553 3.035 1.00 10.00 C ATOM 0 H VAL A 16 9.368 19.034 3.779 1.00 10.00 H new ATOM 0 HA VAL A 16 12.343 19.022 3.891 1.00 10.00 H new ATOM 0 HB VAL A 16 12.277 21.398 3.381 1.00 10.00 H new ATOM 0 HG11 VAL A 16 11.891 21.179 0.951 1.00 10.00 H new ATOM 0 HG12 VAL A 16 12.799 19.797 1.609 1.00 10.00 H new ATOM 0 HG13 VAL A 16 11.069 19.626 1.229 1.00 10.00 H new ATOM 0 HG21 VAL A 16 10.266 22.401 2.357 1.00 10.00 H new ATOM 0 HG22 VAL A 16 9.353 20.916 2.713 1.00 10.00 H new ATOM 0 HG23 VAL A 16 9.983 21.915 4.045 1.00 10.00 H new ATOM 232 N ALA A 17 10.360 19.191 6.114 1.00 10.00 N ATOM 233 CA ALA A 17 10.065 19.472 7.509 1.00 10.00 C ATOM 234 C ALA A 17 9.282 18.301 8.106 1.00 10.00 C ATOM 235 O ALA A 17 8.612 17.565 7.384 1.00 10.00 O ATOM 236 CB ALA A 17 9.305 20.796 7.614 1.00 10.00 C ATOM 0 H ALA A 17 9.872 18.382 5.729 1.00 10.00 H new ATOM 0 HA ALA A 17 10.986 19.579 8.082 1.00 10.00 H new ATOM 0 HB1 ALA A 17 9.084 21.007 8.660 1.00 10.00 H new ATOM 0 HB2 ALA A 17 9.916 21.600 7.203 1.00 10.00 H new ATOM 0 HB3 ALA A 17 8.373 20.726 7.053 1.00 10.00 H new ATOM 242 N ASN A 18 9.394 18.165 9.420 1.00 10.00 N ATOM 243 CA ASN A 18 9.039 16.917 10.075 1.00 10.00 C ATOM 244 C ASN A 18 7.553 16.633 9.849 1.00 10.00 C ATOM 245 O ASN A 18 7.167 15.492 9.595 1.00 10.00 O ATOM 246 CB ASN A 18 9.280 17.000 11.584 1.00 10.00 C ATOM 247 CG ASN A 18 10.766 17.193 11.891 1.00 10.00 C ATOM 248 OD1 ASN A 18 11.560 16.266 11.854 1.00 10.00 O ATOM 249 ND2 ASN A 18 11.098 18.444 12.198 1.00 10.00 N ATOM 0 H ASN A 18 9.725 18.898 10.048 1.00 10.00 H new ATOM 0 HA ASN A 18 9.659 16.126 9.653 1.00 10.00 H new ATOM 0 HB2 ASN A 18 8.708 17.828 12.002 1.00 10.00 H new ATOM 0 HB3 ASN A 18 8.921 16.090 12.064 1.00 10.00 H new ATOM 0 HD21 ASN A 18 12.066 18.675 12.421 1.00 10.00 H new ATOM 0 HD22 ASN A 18 10.384 19.173 12.211 1.00 10.00 H new ATOM 256 N ASN A 19 6.759 17.688 9.949 1.00 10.00 N ATOM 257 CA ASN A 19 5.313 17.543 9.924 1.00 10.00 C ATOM 258 C ASN A 19 4.843 17.419 8.473 1.00 10.00 C ATOM 259 O ASN A 19 3.789 16.843 8.205 1.00 10.00 O ATOM 260 CB ASN A 19 4.626 18.762 10.541 1.00 10.00 C ATOM 261 CG ASN A 19 5.060 20.050 9.840 1.00 10.00 C ATOM 262 OD1 ASN A 19 4.525 20.440 8.815 1.00 10.00 O ATOM 263 ND2 ASN A 19 6.057 20.688 10.447 1.00 10.00 N ATOM 0 H ASN A 19 7.089 18.648 10.048 1.00 10.00 H new ATOM 0 HA ASN A 19 5.053 16.654 10.499 1.00 10.00 H new ATOM 0 HB2 ASN A 19 3.544 18.650 10.467 1.00 10.00 H new ATOM 0 HB3 ASN A 19 4.868 18.822 11.602 1.00 10.00 H new ATOM 0 HD21 ASN A 19 6.418 21.558 10.057 1.00 10.00 H new ATOM 0 HD22 ASN A 19 6.460 20.307 11.303 1.00 10.00 H new ATOM 270 N TYR A 20 5.646 17.970 7.575 1.00 10.00 N ATOM 271 CA TYR A 20 5.153 18.347 6.261 1.00 10.00 C ATOM 272 C TYR A 20 4.640 17.126 5.497 1.00 10.00 C ATOM 273 O TYR A 20 3.678 17.225 4.736 1.00 10.00 O ATOM 274 CB TYR A 20 6.352 18.935 5.514 1.00 10.00 C ATOM 275 CG TYR A 20 6.001 19.540 4.153 1.00 10.00 C ATOM 276 CD1 TYR A 20 5.992 18.743 3.026 1.00 10.00 C ATOM 277 CD2 TYR A 20 5.694 20.881 4.052 1.00 10.00 C ATOM 278 CE1 TYR A 20 5.662 19.312 1.745 1.00 10.00 C ATOM 279 CE2 TYR A 20 5.364 21.450 2.771 1.00 10.00 C ATOM 280 CZ TYR A 20 5.364 20.638 1.681 1.00 10.00 C ATOM 281 OH TYR A 20 5.052 21.175 0.471 1.00 10.00 O ATOM 0 H TYR A 20 6.635 18.165 7.731 1.00 10.00 H new ATOM 0 HA TYR A 20 4.328 19.053 6.349 1.00 10.00 H new ATOM 0 HB2 TYR A 20 6.812 19.704 6.134 1.00 10.00 H new ATOM 0 HB3 TYR A 20 7.097 18.153 5.371 1.00 10.00 H new ATOM 0 HD1 TYR A 20 6.232 17.693 3.105 1.00 10.00 H new ATOM 0 HD2 TYR A 20 5.701 21.504 4.934 1.00 10.00 H new ATOM 0 HE1 TYR A 20 5.651 18.700 0.855 1.00 10.00 H new ATOM 0 HE2 TYR A 20 5.122 22.498 2.678 1.00 10.00 H new ATOM 0 HH TYR A 20 4.861 22.130 0.577 1.00 10.00 H new ATOM 291 N CYS A 21 5.304 16.003 5.725 1.00 10.00 N ATOM 292 CA CYS A 21 4.975 14.780 5.011 1.00 10.00 C ATOM 293 C CYS A 21 3.514 14.431 5.305 1.00 10.00 C ATOM 294 O CYS A 21 2.764 14.072 4.399 1.00 10.00 O ATOM 295 CB CYS A 21 5.921 13.637 5.381 1.00 10.00 C ATOM 296 SG CYS A 21 5.521 12.028 4.605 1.00 10.00 S ATOM 0 H CYS A 21 6.069 15.914 6.394 1.00 10.00 H new ATOM 0 HA CYS A 21 5.102 14.936 3.940 1.00 10.00 H new ATOM 0 HB2 CYS A 21 6.936 13.918 5.099 1.00 10.00 H new ATOM 0 HB3 CYS A 21 5.914 13.514 6.464 1.00 10.00 H new ATOM 301 N ASP A 22 3.155 14.549 6.575 1.00 10.00 N ATOM 302 CA ASP A 22 1.926 13.947 7.064 1.00 10.00 C ATOM 303 C ASP A 22 0.735 14.554 6.319 1.00 10.00 C ATOM 304 O ASP A 22 -0.108 13.828 5.795 1.00 10.00 O ATOM 305 CB ASP A 22 1.737 14.218 8.558 1.00 10.00 C ATOM 306 CG ASP A 22 0.614 13.420 9.222 1.00 10.00 C ATOM 307 OD1 ASP A 22 -0.419 13.980 9.620 1.00 10.00 O ATOM 308 OD2 ASP A 22 0.833 12.153 9.327 1.00 10.00 O ATOM 0 H ASP A 22 3.693 15.052 7.280 1.00 10.00 H new ATOM 0 HA ASP A 22 1.987 12.872 6.897 1.00 10.00 H new ATOM 0 HB2 ASP A 22 2.672 13.998 9.073 1.00 10.00 H new ATOM 0 HB3 ASP A 22 1.539 15.281 8.697 1.00 10.00 H new ATOM 314 N ASN A 23 0.704 15.878 6.297 1.00 10.00 N ATOM 315 CA ASN A 23 -0.363 16.590 5.615 1.00 10.00 C ATOM 316 C ASN A 23 -0.237 16.367 4.107 1.00 10.00 C ATOM 317 O ASN A 23 -1.240 16.205 3.414 1.00 10.00 O ATOM 318 CB ASN A 23 -0.278 18.095 5.879 1.00 10.00 C ATOM 319 CG ASN A 23 1.154 18.603 5.697 1.00 10.00 C ATOM 320 OD1 ASN A 23 1.977 18.551 6.596 1.00 10.00 O ATOM 321 ND2 ASN A 23 1.403 19.095 4.487 1.00 10.00 N ATOM 0 H ASN A 23 1.401 16.477 6.741 1.00 10.00 H new ATOM 0 HA ASN A 23 -1.314 16.211 5.990 1.00 10.00 H new ATOM 0 HB2 ASN A 23 -0.945 18.625 5.199 1.00 10.00 H new ATOM 0 HB3 ASN A 23 -0.618 18.310 6.892 1.00 10.00 H new ATOM 0 HD21 ASN A 23 2.330 19.459 4.265 1.00 10.00 H new ATOM 0 HD22 ASN A 23 0.667 19.108 3.781 1.00 10.00 H new ATOM 328 N GLN A 24 1.004 16.365 3.643 1.00 10.00 N ATOM 329 CA GLN A 24 1.272 16.198 2.225 1.00 10.00 C ATOM 330 C GLN A 24 0.691 14.873 1.727 1.00 10.00 C ATOM 331 O GLN A 24 0.195 14.791 0.605 1.00 10.00 O ATOM 332 CB GLN A 24 2.772 16.281 1.937 1.00 10.00 C ATOM 333 CG GLN A 24 3.049 16.187 0.435 1.00 10.00 C ATOM 334 CD GLN A 24 4.553 16.199 0.153 1.00 10.00 C ATOM 335 OE1 GLN A 24 5.372 15.875 0.996 1.00 10.00 O ATOM 336 NE2 GLN A 24 4.868 16.591 -1.079 1.00 10.00 N ATOM 0 H GLN A 24 1.835 16.476 4.224 1.00 10.00 H new ATOM 0 HA GLN A 24 0.786 17.011 1.686 1.00 10.00 H new ATOM 0 HB2 GLN A 24 3.169 17.219 2.325 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.291 15.476 2.457 1.00 10.00 H new ATOM 0 HG2 GLN A 24 2.608 15.273 0.037 1.00 10.00 H new ATOM 0 HG3 GLN A 24 2.572 17.021 -0.079 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.132 16.849 -1.736 1.00 10.00 H new ATOM 0 HE22 GLN A 24 5.846 16.634 -1.366 1.00 10.00 H new ATOM 345 N CYS A 25 0.772 13.868 2.587 1.00 10.00 N ATOM 346 CA CYS A 25 0.369 12.524 2.208 1.00 10.00 C ATOM 347 C CYS A 25 -1.148 12.413 2.373 1.00 10.00 C ATOM 348 O CYS A 25 -1.848 11.998 1.451 1.00 10.00 O ATOM 349 CB CYS A 25 1.111 11.461 3.021 1.00 10.00 C ATOM 350 SG CYS A 25 2.930 11.478 2.827 1.00 10.00 S ATOM 0 H CYS A 25 1.111 13.957 3.545 1.00 10.00 H new ATOM 0 HA CYS A 25 0.634 12.342 1.167 1.00 10.00 H new ATOM 0 HB2 CYS A 25 0.871 11.597 4.075 1.00 10.00 H new ATOM 0 HB3 CYS A 25 0.738 10.478 2.733 1.00 10.00 H new ATOM 355 N LYS A 26 -1.612 12.793 3.555 1.00 10.00 N ATOM 356 CA LYS A 26 -2.924 12.370 4.015 1.00 10.00 C ATOM 357 C LYS A 26 -4.001 13.114 3.222 1.00 10.00 C ATOM 358 O LYS A 26 -5.127 12.634 3.097 1.00 10.00 O ATOM 359 CB LYS A 26 -3.044 12.547 5.530 1.00 10.00 C ATOM 360 CG LYS A 26 -3.376 13.997 5.888 1.00 10.00 C ATOM 361 CD LYS A 26 -3.029 14.294 7.348 1.00 10.00 C ATOM 362 CE LYS A 26 -3.823 13.392 8.295 1.00 10.00 C ATOM 363 NZ LYS A 26 -5.277 13.552 8.065 1.00 10.00 N ATOM 0 H LYS A 26 -1.103 13.389 4.208 1.00 10.00 H new ATOM 0 HA LYS A 26 -3.068 11.306 3.830 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -3.820 11.886 5.917 1.00 10.00 H new ATOM 0 HB3 LYS A 26 -2.109 12.255 6.009 1.00 10.00 H new ATOM 0 HG2 LYS A 26 -2.824 14.672 5.235 1.00 10.00 H new ATOM 0 HG3 LYS A 26 -4.436 14.184 5.717 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -1.961 14.146 7.509 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -3.243 15.339 7.571 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -3.537 12.352 8.141 1.00 10.00 H new ATOM 0 HE3 LYS A 26 -3.583 13.639 9.329 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -5.802 13.157 8.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -5.504 14.562 7.966 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -5.548 13.049 7.196 1.00 10.00 H new ATOM 376 N MET A 27 -3.617 14.272 2.706 1.00 10.00 N ATOM 377 CA MET A 27 -4.577 15.168 2.083 1.00 10.00 C ATOM 378 C MET A 27 -5.218 14.517 0.855 1.00 10.00 C ATOM 379 O MET A 27 -6.332 14.869 0.472 1.00 10.00 O ATOM 380 CB MET A 27 -3.872 16.461 1.666 1.00 10.00 C ATOM 381 CG MET A 27 -2.919 16.212 0.495 1.00 10.00 C ATOM 382 SD MET A 27 -1.880 17.641 0.240 1.00 10.00 S ATOM 383 CE MET A 27 -1.180 17.235 -1.351 1.00 10.00 C ATOM 0 H MET A 27 -2.655 14.611 2.706 1.00 10.00 H new ATOM 0 HA MET A 27 -5.363 15.388 2.806 1.00 10.00 H new ATOM 0 HB2 MET A 27 -4.613 17.209 1.384 1.00 10.00 H new ATOM 0 HB3 MET A 27 -3.317 16.866 2.512 1.00 10.00 H new ATOM 0 HG2 MET A 27 -2.303 15.336 0.696 1.00 10.00 H new ATOM 0 HG3 MET A 27 -3.489 16.000 -0.410 1.00 10.00 H new ATOM 0 HE1 MET A 27 -0.423 17.973 -1.614 1.00 10.00 H new ATOM 0 HE2 MET A 27 -0.723 16.246 -1.306 1.00 10.00 H new ATOM 0 HE3 MET A 27 -1.966 17.237 -2.106 1.00 10.00 H new ATOM 393 N LYS A 28 -4.486 13.579 0.273 1.00 10.00 N ATOM 394 CA LYS A 28 -4.891 12.991 -0.993 1.00 10.00 C ATOM 395 C LYS A 28 -4.253 11.608 -1.136 1.00 10.00 C ATOM 396 O LYS A 28 -4.954 10.612 -1.305 1.00 10.00 O ATOM 397 CB LYS A 28 -4.571 13.939 -2.150 1.00 10.00 C ATOM 398 CG LYS A 28 -5.149 13.413 -3.466 1.00 10.00 C ATOM 399 CD LYS A 28 -4.070 12.721 -4.301 1.00 10.00 C ATOM 400 CE LYS A 28 -3.467 13.685 -5.325 1.00 10.00 C ATOM 401 NZ LYS A 28 -2.694 14.747 -4.644 1.00 10.00 N ATOM 0 H LYS A 28 -3.614 13.211 0.655 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.971 12.847 -1.018 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.979 14.927 -1.939 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.491 14.053 -2.243 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.958 12.713 -3.258 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.580 14.238 -4.034 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.285 12.343 -3.646 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.499 11.861 -4.815 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -2.819 13.138 -6.011 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.261 14.132 -5.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.155 15.290 -5.348 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.346 15.383 -4.141 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -2.037 14.316 -3.963 1.00 10.00 H new ATOM 414 N LYS A 29 -2.930 11.592 -1.063 1.00 10.00 N ATOM 415 CA LYS A 29 -2.168 10.453 -1.547 1.00 10.00 C ATOM 416 C LYS A 29 -2.547 9.210 -0.740 1.00 10.00 C ATOM 417 O LYS A 29 -2.888 8.175 -1.310 1.00 10.00 O ATOM 418 CB LYS A 29 -0.670 10.765 -1.530 1.00 10.00 C ATOM 419 CG LYS A 29 -0.320 11.833 -2.568 1.00 10.00 C ATOM 420 CD LYS A 29 -0.180 11.218 -3.962 1.00 10.00 C ATOM 421 CE LYS A 29 0.181 12.284 -4.998 1.00 10.00 C ATOM 422 NZ LYS A 29 0.030 11.747 -6.369 1.00 10.00 N ATOM 0 H LYS A 29 -2.367 12.349 -0.676 1.00 10.00 H new ATOM 0 HA LYS A 29 -2.415 10.244 -2.588 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -0.378 11.108 -0.538 1.00 10.00 H new ATOM 0 HB3 LYS A 29 -0.103 9.856 -1.733 1.00 10.00 H new ATOM 0 HG2 LYS A 29 -1.094 12.600 -2.581 1.00 10.00 H new ATOM 0 HG3 LYS A 29 0.612 12.325 -2.289 1.00 10.00 H new ATOM 0 HD2 LYS A 29 0.589 10.445 -3.947 1.00 10.00 H new ATOM 0 HD3 LYS A 29 -1.114 10.733 -4.245 1.00 10.00 H new ATOM 0 HE2 LYS A 29 -0.461 13.156 -4.870 1.00 10.00 H new ATOM 0 HE3 LYS A 29 1.207 12.618 -4.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 0.130 12.520 -7.058 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 0.763 11.031 -6.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 -0.909 11.312 -6.470 1.00 10.00 H new ATOM 435 N ALA A 30 -2.475 9.354 0.576 1.00 10.00 N ATOM 436 CA ALA A 30 -2.394 8.197 1.451 1.00 10.00 C ATOM 437 C ALA A 30 -3.302 8.415 2.663 1.00 10.00 C ATOM 438 O ALA A 30 -3.999 9.425 2.746 1.00 10.00 O ATOM 439 CB ALA A 30 -0.936 7.960 1.850 1.00 10.00 C ATOM 0 H ALA A 30 -2.471 10.254 1.057 1.00 10.00 H new ATOM 0 HA ALA A 30 -2.741 7.301 0.936 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -0.875 7.092 2.507 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -0.339 7.782 0.956 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -0.554 8.837 2.372 1.00 10.00 H new ATOM 445 N SER A 31 -3.264 7.452 3.572 1.00 10.00 N ATOM 446 CA SER A 31 -3.981 7.581 4.829 1.00 10.00 C ATOM 447 C SER A 31 -3.177 8.443 5.804 1.00 10.00 C ATOM 448 O SER A 31 -3.749 9.214 6.573 1.00 10.00 O ATOM 449 CB SER A 31 -4.265 6.209 5.444 1.00 10.00 C ATOM 450 OG SER A 31 -4.957 6.313 6.686 1.00 10.00 O ATOM 0 H SER A 31 -2.748 6.579 3.463 1.00 10.00 H new ATOM 0 HA SER A 31 -4.937 8.065 4.629 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.857 5.615 4.748 1.00 10.00 H new ATOM 0 HB3 SER A 31 -3.325 5.678 5.596 1.00 10.00 H new ATOM 0 HG SER A 31 -5.121 5.416 7.045 1.00 10.00 H new ATOM 456 N GLY A 32 -1.863 8.284 5.739 1.00 10.00 N ATOM 457 CA GLY A 32 -0.974 9.059 6.588 1.00 10.00 C ATOM 458 C GLY A 32 0.424 9.155 5.973 1.00 10.00 C ATOM 459 O GLY A 32 0.607 8.870 4.791 1.00 10.00 O ATOM 0 H GLY A 32 -1.393 7.631 5.112 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -1.382 10.060 6.731 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.911 8.597 7.573 1.00 10.00 H new ATOM 463 N GLY A 33 1.374 9.559 6.803 1.00 10.00 N ATOM 464 CA GLY A 33 2.764 9.610 6.382 1.00 10.00 C ATOM 465 C GLY A 33 3.642 10.241 7.464 1.00 10.00 C ATOM 466 O GLY A 33 3.136 10.888 8.380 1.00 10.00 O ATOM 0 H GLY A 33 1.209 9.854 7.765 1.00 10.00 H new ATOM 0 HA2 GLY A 33 3.118 8.603 6.163 1.00 10.00 H new ATOM 0 HA3 GLY A 33 2.847 10.185 5.460 1.00 10.00 H new ATOM 470 N HIS A 34 4.943 10.032 7.323 1.00 10.00 N ATOM 471 CA HIS A 34 5.904 10.673 8.204 1.00 10.00 C ATOM 472 C HIS A 34 7.159 11.043 7.411 1.00 10.00 C ATOM 473 O HIS A 34 7.505 10.372 6.440 1.00 10.00 O ATOM 474 CB HIS A 34 6.208 9.787 9.414 1.00 10.00 C ATOM 475 CG HIS A 34 7.314 10.312 10.297 1.00 10.00 C ATOM 476 ND1 HIS A 34 7.237 11.528 10.953 1.00 10.00 N ATOM 477 CD2 HIS A 34 8.524 9.773 10.626 1.00 10.00 C ATOM 478 CE1 HIS A 34 8.355 11.704 11.642 1.00 10.00 C ATOM 479 NE2 HIS A 34 9.151 10.615 11.437 1.00 10.00 N ATOM 0 H HIS A 34 5.354 9.428 6.612 1.00 10.00 H new ATOM 0 HA HIS A 34 5.480 11.596 8.600 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.301 9.680 10.010 1.00 10.00 H new ATOM 0 HB3 HIS A 34 6.479 8.791 9.063 1.00 10.00 H new ATOM 0 HD2 HIS A 34 8.906 8.822 10.284 1.00 10.00 H new ATOM 0 HE1 HIS A 34 8.594 12.559 12.257 1.00 10.00 H new ATOM 0 HE2 HIS A 34 10.077 10.472 11.841 1.00 10.00 H new ATOM 487 N CYS A 35 7.807 12.111 7.854 1.00 10.00 N ATOM 488 CA CYS A 35 8.903 12.689 7.096 1.00 10.00 C ATOM 489 C CYS A 35 10.182 11.922 7.439 1.00 10.00 C ATOM 490 O CYS A 35 10.919 12.310 8.344 1.00 10.00 O ATOM 491 CB CYS A 35 9.048 14.188 7.365 1.00 10.00 C ATOM 492 SG CYS A 35 10.385 15.011 6.423 1.00 10.00 S ATOM 0 H CYS A 35 7.594 12.591 8.728 1.00 10.00 H new ATOM 0 HA CYS A 35 8.699 12.596 6.029 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.103 14.678 7.131 1.00 10.00 H new ATOM 0 HB3 CYS A 35 9.229 14.336 8.430 1.00 10.00 H new ATOM 497 N TYR A 36 10.405 10.846 6.699 1.00 10.00 N ATOM 498 CA TYR A 36 11.725 10.243 6.633 1.00 10.00 C ATOM 499 C TYR A 36 12.717 11.172 5.929 1.00 10.00 C ATOM 500 O TYR A 36 12.330 11.965 5.072 1.00 10.00 O ATOM 501 CB TYR A 36 11.566 8.966 5.806 1.00 10.00 C ATOM 502 CG TYR A 36 12.843 8.131 5.698 1.00 10.00 C ATOM 503 CD1 TYR A 36 13.296 7.419 6.790 1.00 10.00 C ATOM 504 CD2 TYR A 36 13.542 8.090 4.509 1.00 10.00 C ATOM 505 CE1 TYR A 36 14.498 6.633 6.688 1.00 10.00 C ATOM 506 CE2 TYR A 36 14.744 7.303 4.407 1.00 10.00 C ATOM 507 CZ TYR A 36 15.163 6.614 5.502 1.00 10.00 C ATOM 508 OH TYR A 36 16.298 5.871 5.406 1.00 10.00 O ATOM 0 H TYR A 36 9.693 10.376 6.140 1.00 10.00 H new ATOM 0 HA TYR A 36 12.107 10.047 7.635 1.00 10.00 H new ATOM 0 HB2 TYR A 36 10.780 8.354 6.249 1.00 10.00 H new ATOM 0 HB3 TYR A 36 11.234 9.234 4.803 1.00 10.00 H new ATOM 0 HD1 TYR A 36 12.749 7.451 7.721 1.00 10.00 H new ATOM 0 HD2 TYR A 36 13.188 8.648 3.655 1.00 10.00 H new ATOM 0 HE1 TYR A 36 14.863 6.071 7.535 1.00 10.00 H new ATOM 0 HE2 TYR A 36 15.300 7.261 3.482 1.00 10.00 H new ATOM 0 HH TYR A 36 16.666 5.951 4.501 1.00 10.00 H new ATOM 518 N ALA A 37 13.977 11.043 6.317 1.00 10.00 N ATOM 519 CA ALA A 37 14.946 12.098 6.077 1.00 10.00 C ATOM 520 C ALA A 37 15.032 12.374 4.575 1.00 10.00 C ATOM 521 O ALA A 37 15.114 13.527 4.155 1.00 10.00 O ATOM 522 CB ALA A 37 16.297 11.698 6.674 1.00 10.00 C ATOM 0 H ALA A 37 14.349 10.223 6.796 1.00 10.00 H new ATOM 0 HA ALA A 37 14.635 13.022 6.565 1.00 10.00 H new ATOM 0 HB1 ALA A 37 17.023 12.490 6.493 1.00 10.00 H new ATOM 0 HB2 ALA A 37 16.189 11.543 7.747 1.00 10.00 H new ATOM 0 HB3 ALA A 37 16.642 10.776 6.207 1.00 10.00 H new ATOM 528 N MET A 38 15.009 11.296 3.805 1.00 10.00 N ATOM 529 CA MET A 38 15.282 11.386 2.381 1.00 10.00 C ATOM 530 C MET A 38 14.101 12.012 1.636 1.00 10.00 C ATOM 531 O MET A 38 14.293 12.821 0.730 1.00 10.00 O ATOM 532 CB MET A 38 15.555 9.988 1.823 1.00 10.00 C ATOM 533 CG MET A 38 16.223 10.067 0.449 1.00 10.00 C ATOM 534 SD MET A 38 14.983 10.050 -0.835 1.00 10.00 S ATOM 535 CE MET A 38 15.837 10.970 -2.103 1.00 10.00 C ATOM 0 H MET A 38 14.805 10.355 4.141 1.00 10.00 H new ATOM 0 HA MET A 38 16.157 12.020 2.237 1.00 10.00 H new ATOM 0 HB2 MET A 38 16.195 9.436 2.511 1.00 10.00 H new ATOM 0 HB3 MET A 38 14.619 9.434 1.745 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.820 10.976 0.377 1.00 10.00 H new ATOM 0 HG3 MET A 38 16.905 9.227 0.318 1.00 10.00 H new ATOM 0 HE1 MET A 38 15.200 11.054 -2.983 1.00 10.00 H new ATOM 0 HE2 MET A 38 16.076 11.966 -1.731 1.00 10.00 H new ATOM 0 HE3 MET A 38 16.758 10.452 -2.370 1.00 10.00 H new ATOM 545 N SER A 39 12.906 11.612 2.045 1.00 10.00 N ATOM 546 CA SER A 39 11.698 12.042 1.360 1.00 10.00 C ATOM 547 C SER A 39 10.464 11.565 2.127 1.00 10.00 C ATOM 548 O SER A 39 10.574 10.755 3.046 1.00 10.00 O ATOM 549 CB SER A 39 11.665 11.519 -0.078 1.00 10.00 C ATOM 550 OG SER A 39 12.278 12.426 -0.990 1.00 10.00 O ATOM 0 H SER A 39 12.748 10.995 2.842 1.00 10.00 H new ATOM 0 HA SER A 39 11.695 13.131 1.322 1.00 10.00 H new ATOM 0 HB2 SER A 39 12.175 10.557 -0.126 1.00 10.00 H new ATOM 0 HB3 SER A 39 10.631 11.347 -0.378 1.00 10.00 H new ATOM 0 HG SER A 39 13.141 12.719 -0.630 1.00 10.00 H new ATOM 556 N CYS A 40 9.316 12.088 1.722 1.00 10.00 N ATOM 557 CA CYS A 40 8.083 11.843 2.451 1.00 10.00 C ATOM 558 C CYS A 40 7.729 10.361 2.311 1.00 10.00 C ATOM 559 O CYS A 40 7.312 9.917 1.243 1.00 10.00 O ATOM 560 CB CYS A 40 6.949 12.748 1.965 1.00 10.00 C ATOM 561 SG CYS A 40 5.300 12.346 2.649 1.00 10.00 S ATOM 0 H CYS A 40 9.214 12.681 0.898 1.00 10.00 H new ATOM 0 HA CYS A 40 8.226 12.084 3.504 1.00 10.00 H new ATOM 0 HB2 CYS A 40 7.191 13.780 2.221 1.00 10.00 H new ATOM 0 HB3 CYS A 40 6.899 12.692 0.878 1.00 10.00 H new ATOM 566 N TYR A 41 7.909 9.637 3.406 1.00 10.00 N ATOM 567 CA TYR A 41 7.420 8.271 3.488 1.00 10.00 C ATOM 568 C TYR A 41 5.918 8.242 3.777 1.00 10.00 C ATOM 569 O TYR A 41 5.501 8.367 4.927 1.00 10.00 O ATOM 570 CB TYR A 41 8.165 7.627 4.660 1.00 10.00 C ATOM 571 CG TYR A 41 7.876 6.134 4.835 1.00 10.00 C ATOM 572 CD1 TYR A 41 8.399 5.221 3.943 1.00 10.00 C ATOM 573 CD2 TYR A 41 7.093 5.702 5.886 1.00 10.00 C ATOM 574 CE1 TYR A 41 8.127 3.816 4.108 1.00 10.00 C ATOM 575 CE2 TYR A 41 6.821 4.298 6.051 1.00 10.00 C ATOM 576 CZ TYR A 41 7.352 3.424 5.154 1.00 10.00 C ATOM 577 OH TYR A 41 7.095 2.098 5.310 1.00 10.00 O ATOM 0 H TYR A 41 8.386 9.970 4.243 1.00 10.00 H new ATOM 0 HA TYR A 41 7.586 7.747 2.547 1.00 10.00 H new ATOM 0 HB2 TYR A 41 9.237 7.765 4.516 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.897 8.149 5.579 1.00 10.00 H new ATOM 0 HD1 TYR A 41 9.012 5.559 3.121 1.00 10.00 H new ATOM 0 HD2 TYR A 41 6.684 6.417 6.585 1.00 10.00 H new ATOM 0 HE1 TYR A 41 8.530 3.091 3.417 1.00 10.00 H new ATOM 0 HE2 TYR A 41 6.209 3.946 6.869 1.00 10.00 H new ATOM 0 HH TYR A 41 6.530 1.965 6.099 1.00 10.00 H new ATOM 587 N CYS A 42 5.147 8.077 2.712 1.00 10.00 N ATOM 588 CA CYS A 42 3.698 8.117 2.824 1.00 10.00 C ATOM 589 C CYS A 42 3.204 6.709 3.163 1.00 10.00 C ATOM 590 O CYS A 42 3.799 5.719 2.739 1.00 10.00 O ATOM 591 CB CYS A 42 3.047 8.659 1.550 1.00 10.00 C ATOM 592 SG CYS A 42 3.380 10.426 1.211 1.00 10.00 S ATOM 0 H CYS A 42 5.498 7.915 1.768 1.00 10.00 H new ATOM 0 HA CYS A 42 3.411 8.804 3.620 1.00 10.00 H new ATOM 0 HB2 CYS A 42 3.394 8.069 0.702 1.00 10.00 H new ATOM 0 HB3 CYS A 42 1.969 8.514 1.619 1.00 10.00 H new ATOM 597 N GLU A 43 2.121 6.664 3.925 1.00 10.00 N ATOM 598 CA GLU A 43 1.697 5.423 4.551 1.00 10.00 C ATOM 599 C GLU A 43 0.222 5.153 4.249 1.00 10.00 C ATOM 600 O GLU A 43 -0.637 5.985 4.538 1.00 10.00 O ATOM 601 CB GLU A 43 1.951 5.456 6.059 1.00 10.00 C ATOM 602 CG GLU A 43 3.449 5.391 6.365 1.00 10.00 C ATOM 603 CD GLU A 43 3.708 5.514 7.868 1.00 10.00 C ATOM 604 OE1 GLU A 43 3.827 4.493 8.562 1.00 10.00 O ATOM 605 OE2 GLU A 43 3.785 6.723 8.311 1.00 10.00 O ATOM 0 H GLU A 43 1.524 7.467 4.123 1.00 10.00 H new ATOM 0 HA GLU A 43 2.288 4.608 4.134 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.529 6.367 6.482 1.00 10.00 H new ATOM 0 HB3 GLU A 43 1.442 4.618 6.535 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.858 4.450 5.998 1.00 10.00 H new ATOM 0 HG3 GLU A 43 3.967 6.191 5.837 1.00 10.00 H new ATOM 613 N GLY A 44 -0.027 3.987 3.672 1.00 10.00 N ATOM 614 CA GLY A 44 -1.374 3.627 3.263 1.00 10.00 C ATOM 615 C GLY A 44 -1.692 4.181 1.872 1.00 10.00 C ATOM 616 O GLY A 44 -2.770 4.729 1.650 1.00 10.00 O ATOM 0 H GLY A 44 0.681 3.279 3.478 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.479 2.542 3.259 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -2.093 4.014 3.985 1.00 10.00 H new ATOM 620 N LEU A 45 -0.732 4.020 0.973 1.00 10.00 N ATOM 621 CA LEU A 45 -0.963 4.322 -0.430 1.00 10.00 C ATOM 622 C LEU A 45 -1.843 3.231 -1.043 1.00 10.00 C ATOM 623 O LEU A 45 -1.905 2.116 -0.528 1.00 10.00 O ATOM 624 CB LEU A 45 0.366 4.523 -1.160 1.00 10.00 C ATOM 625 CG LEU A 45 1.144 5.791 -0.801 1.00 10.00 C ATOM 626 CD1 LEU A 45 2.631 5.632 -1.123 1.00 10.00 C ATOM 627 CD2 LEU A 45 0.537 7.018 -1.485 1.00 10.00 C ATOM 0 H LEU A 45 0.207 3.685 1.188 1.00 10.00 H new ATOM 0 HA LEU A 45 -1.503 5.263 -0.534 1.00 10.00 H new ATOM 0 HB2 LEU A 45 1.002 3.661 -0.959 1.00 10.00 H new ATOM 0 HB3 LEU A 45 0.171 4.532 -2.232 1.00 10.00 H new ATOM 0 HG LEU A 45 1.063 5.949 0.275 1.00 10.00 H new ATOM 0 HD11 LEU A 45 3.160 6.547 -0.858 1.00 10.00 H new ATOM 0 HD12 LEU A 45 3.040 4.798 -0.552 1.00 10.00 H new ATOM 0 HD13 LEU A 45 2.754 5.437 -2.188 1.00 10.00 H new ATOM 0 HD21 LEU A 45 1.108 7.906 -1.213 1.00 10.00 H new ATOM 0 HD22 LEU A 45 0.567 6.884 -2.566 1.00 10.00 H new ATOM 0 HD23 LEU A 45 -0.497 7.140 -1.163 1.00 10.00 H new ATOM 639 N PRO A 46 -2.519 3.601 -2.164 1.00 10.00 N ATOM 640 CA PRO A 46 -3.182 2.613 -2.998 1.00 10.00 C ATOM 641 C PRO A 46 -2.166 1.826 -3.829 1.00 10.00 C ATOM 642 O PRO A 46 -1.061 2.305 -4.081 1.00 10.00 O ATOM 643 CB PRO A 46 -4.157 3.409 -3.850 1.00 10.00 C ATOM 644 CG PRO A 46 -3.678 4.850 -3.796 1.00 10.00 C ATOM 645 CD PRO A 46 -2.669 4.964 -2.665 1.00 10.00 C ATOM 0 HA PRO A 46 -3.708 1.856 -2.416 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -4.171 3.040 -4.876 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -5.173 3.321 -3.466 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -3.223 5.137 -4.744 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -4.517 5.525 -3.628 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -1.719 5.362 -3.021 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -3.024 5.636 -1.884 1.00 10.00 H new ATOM 653 N GLU A 47 -2.576 0.632 -4.231 1.00 10.00 N ATOM 654 CA GLU A 47 -1.640 -0.337 -4.773 1.00 10.00 C ATOM 655 C GLU A 47 -1.166 0.101 -6.161 1.00 10.00 C ATOM 656 O GLU A 47 -0.119 -0.340 -6.631 1.00 10.00 O ATOM 657 CB GLU A 47 -2.263 -1.734 -4.823 1.00 10.00 C ATOM 658 CG GLU A 47 -2.486 -2.285 -3.413 1.00 10.00 C ATOM 659 CD GLU A 47 -3.136 -3.669 -3.462 1.00 10.00 C ATOM 660 OE1 GLU A 47 -4.371 -3.775 -3.441 1.00 10.00 O ATOM 661 OE2 GLU A 47 -2.309 -4.657 -3.525 1.00 10.00 O ATOM 0 H GLU A 47 -3.544 0.314 -4.192 1.00 10.00 H new ATOM 0 HA GLU A 47 -0.774 -0.384 -4.112 1.00 10.00 H new ATOM 0 HB2 GLU A 47 -3.213 -1.694 -5.356 1.00 10.00 H new ATOM 0 HB3 GLU A 47 -1.612 -2.407 -5.382 1.00 10.00 H new ATOM 0 HG2 GLU A 47 -1.533 -2.345 -2.887 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -3.119 -1.602 -2.848 1.00 10.00 H new ATOM 669 N ASN A 48 -1.961 0.964 -6.777 1.00 10.00 N ATOM 670 CA ASN A 48 -1.716 1.355 -8.155 1.00 10.00 C ATOM 671 C ASN A 48 -0.661 2.462 -8.186 1.00 10.00 C ATOM 672 O ASN A 48 -0.165 2.822 -9.253 1.00 10.00 O ATOM 673 CB ASN A 48 -2.989 1.896 -8.809 1.00 10.00 C ATOM 674 CG ASN A 48 -3.481 3.154 -8.091 1.00 10.00 C ATOM 675 OD1 ASN A 48 -2.880 4.214 -8.158 1.00 10.00 O ATOM 676 ND2 ASN A 48 -4.606 2.979 -7.403 1.00 10.00 N ATOM 0 H ASN A 48 -2.775 1.403 -6.347 1.00 10.00 H new ATOM 0 HA ASN A 48 -1.377 0.474 -8.700 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -2.795 2.123 -9.857 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -3.767 1.132 -8.787 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -5.016 3.759 -6.890 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -5.058 2.065 -7.389 1.00 10.00 H new ATOM 683 N ALA A 49 -0.349 2.973 -7.004 1.00 10.00 N ATOM 684 CA ALA A 49 0.588 4.078 -6.889 1.00 10.00 C ATOM 685 C ALA A 49 2.013 3.555 -7.080 1.00 10.00 C ATOM 686 O ALA A 49 2.309 2.412 -6.736 1.00 10.00 O ATOM 687 CB ALA A 49 0.397 4.771 -5.538 1.00 10.00 C ATOM 0 H ALA A 49 -0.729 2.642 -6.117 1.00 10.00 H new ATOM 0 HA ALA A 49 0.403 4.820 -7.665 1.00 10.00 H new ATOM 0 HB1 ALA A 49 1.100 5.600 -5.452 1.00 10.00 H new ATOM 0 HB2 ALA A 49 -0.622 5.150 -5.465 1.00 10.00 H new ATOM 0 HB3 ALA A 49 0.577 4.057 -4.734 1.00 10.00 H new ATOM 693 N LYS A 50 2.857 4.417 -7.627 1.00 10.00 N ATOM 694 CA LYS A 50 4.243 4.056 -7.870 1.00 10.00 C ATOM 695 C LYS A 50 5.124 4.665 -6.777 1.00 10.00 C ATOM 696 O LYS A 50 5.102 5.875 -6.560 1.00 10.00 O ATOM 697 CB LYS A 50 4.660 4.452 -9.287 1.00 10.00 C ATOM 698 CG LYS A 50 6.149 4.187 -9.516 1.00 10.00 C ATOM 699 CD LYS A 50 6.443 2.685 -9.526 1.00 10.00 C ATOM 700 CE LYS A 50 7.881 2.411 -9.971 1.00 10.00 C ATOM 701 NZ LYS A 50 8.842 2.989 -9.006 1.00 10.00 N ATOM 0 H LYS A 50 2.608 5.365 -7.909 1.00 10.00 H new ATOM 0 HA LYS A 50 4.369 2.975 -7.816 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.072 3.891 -10.013 1.00 10.00 H new ATOM 0 HB3 LYS A 50 4.446 5.508 -9.451 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.459 4.628 -10.463 1.00 10.00 H new ATOM 0 HG3 LYS A 50 6.733 4.670 -8.733 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.282 2.273 -8.530 1.00 10.00 H new ATOM 0 HD3 LYS A 50 5.748 2.179 -10.197 1.00 10.00 H new ATOM 0 HE2 LYS A 50 8.043 1.336 -10.055 1.00 10.00 H new ATOM 0 HE3 LYS A 50 8.049 2.837 -10.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.775 2.550 -9.141 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.916 4.015 -9.162 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 8.511 2.809 -8.037 1.00 10.00 H new ATOM 714 N VAL A 51 5.877 3.797 -6.117 1.00 10.00 N ATOM 715 CA VAL A 51 6.749 4.232 -5.038 1.00 10.00 C ATOM 716 C VAL A 51 8.153 3.669 -5.265 1.00 10.00 C ATOM 717 O VAL A 51 8.355 2.829 -6.140 1.00 10.00 O ATOM 718 CB VAL A 51 6.153 3.827 -3.689 1.00 10.00 C ATOM 719 CG1 VAL A 51 4.643 4.071 -3.660 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.478 2.368 -3.361 1.00 10.00 C ATOM 0 H VAL A 51 5.902 2.795 -6.308 1.00 10.00 H new ATOM 0 HA VAL A 51 6.832 5.319 -5.028 1.00 10.00 H new ATOM 0 HB VAL A 51 6.608 4.453 -2.922 1.00 10.00 H new ATOM 0 HG11 VAL A 51 4.245 3.774 -2.690 1.00 10.00 H new ATOM 0 HG12 VAL A 51 4.442 5.129 -3.826 1.00 10.00 H new ATOM 0 HG13 VAL A 51 4.164 3.483 -4.443 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.042 2.106 -2.397 1.00 10.00 H new ATOM 0 HG22 VAL A 51 6.064 1.720 -4.134 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.559 2.237 -3.318 1.00 10.00 H new ATOM 730 N SER A 52 9.088 4.155 -4.462 1.00 10.00 N ATOM 731 CA SER A 52 10.178 3.319 -3.990 1.00 10.00 C ATOM 732 C SER A 52 10.077 3.134 -2.474 1.00 10.00 C ATOM 733 O SER A 52 9.479 3.957 -1.783 1.00 10.00 O ATOM 734 CB SER A 52 11.535 3.921 -4.362 1.00 10.00 C ATOM 735 OG SER A 52 12.610 3.271 -3.689 1.00 10.00 O ATOM 0 H SER A 52 9.113 5.118 -4.126 1.00 10.00 H new ATOM 0 HA SER A 52 10.097 2.346 -4.475 1.00 10.00 H new ATOM 0 HB2 SER A 52 11.683 3.844 -5.439 1.00 10.00 H new ATOM 0 HB3 SER A 52 11.541 4.982 -4.114 1.00 10.00 H new ATOM 0 HG SER A 52 13.438 3.395 -4.198 1.00 10.00 H new ATOM 741 N ASP A 53 10.673 2.049 -2.002 1.00 10.00 N ATOM 742 CA ASP A 53 10.803 1.829 -0.572 1.00 10.00 C ATOM 743 C ASP A 53 12.129 1.122 -0.287 1.00 10.00 C ATOM 744 O ASP A 53 12.222 0.317 0.639 1.00 10.00 O ATOM 745 CB ASP A 53 9.672 0.942 -0.046 1.00 10.00 C ATOM 746 CG ASP A 53 9.529 -0.409 -0.749 1.00 10.00 C ATOM 747 OD1 ASP A 53 10.280 -0.725 -1.684 1.00 10.00 O ATOM 748 OD2 ASP A 53 8.587 -1.163 -0.294 1.00 10.00 O ATOM 0 H ASP A 53 11.071 1.313 -2.585 1.00 10.00 H new ATOM 0 HA ASP A 53 10.761 2.799 -0.077 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.834 0.766 1.017 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.731 1.485 -0.140 1.00 10.00 H new ATOM 754 N SER A 54 13.123 1.447 -1.101 1.00 10.00 N ATOM 755 CA SER A 54 14.391 0.739 -1.053 1.00 10.00 C ATOM 756 C SER A 54 15.540 1.703 -1.356 1.00 10.00 C ATOM 757 O SER A 54 16.264 1.525 -2.334 1.00 10.00 O ATOM 758 CB SER A 54 14.406 -0.430 -2.040 1.00 10.00 C ATOM 759 OG SER A 54 13.915 -0.053 -3.323 1.00 10.00 O ATOM 0 H SER A 54 13.076 2.191 -1.797 1.00 10.00 H new ATOM 0 HA SER A 54 14.519 0.334 -0.049 1.00 10.00 H new ATOM 0 HB2 SER A 54 15.424 -0.808 -2.138 1.00 10.00 H new ATOM 0 HB3 SER A 54 13.800 -1.245 -1.645 1.00 10.00 H new ATOM 0 HG SER A 54 14.645 0.329 -3.853 1.00 10.00 H new ATOM 765 N ALA A 55 15.672 2.704 -0.497 1.00 10.00 N ATOM 766 CA ALA A 55 16.735 3.684 -0.647 1.00 10.00 C ATOM 767 C ALA A 55 16.637 4.328 -2.031 1.00 10.00 C ATOM 768 O ALA A 55 17.634 4.432 -2.744 1.00 10.00 O ATOM 769 CB ALA A 55 18.088 3.009 -0.413 1.00 10.00 C ATOM 0 H ALA A 55 15.061 2.857 0.305 1.00 10.00 H new ATOM 0 HA ALA A 55 16.633 4.477 0.094 1.00 10.00 H new ATOM 0 HB1 ALA A 55 18.885 3.744 -0.525 1.00 10.00 H new ATOM 0 HB2 ALA A 55 18.118 2.593 0.594 1.00 10.00 H new ATOM 0 HB3 ALA A 55 18.226 2.209 -1.141 1.00 10.00 H new ATOM 775 N THR A 56 15.426 4.745 -2.370 1.00 10.00 N ATOM 776 CA THR A 56 15.225 5.598 -3.529 1.00 10.00 C ATOM 777 C THR A 56 15.356 4.785 -4.819 1.00 10.00 C ATOM 778 O THR A 56 14.359 4.490 -5.475 1.00 10.00 O ATOM 779 CB THR A 56 16.217 6.759 -3.439 1.00 10.00 C ATOM 780 OG1 THR A 56 16.216 7.111 -2.058 1.00 10.00 O ATOM 781 CG2 THR A 56 15.711 8.018 -4.145 1.00 10.00 C ATOM 0 H THR A 56 14.574 4.508 -1.862 1.00 10.00 H new ATOM 0 HA THR A 56 14.217 6.013 -3.545 1.00 10.00 H new ATOM 0 HB THR A 56 17.169 6.457 -3.875 1.00 10.00 H new ATOM 0 HG1 THR A 56 15.815 7.998 -1.947 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.453 8.811 -4.051 1.00 10.00 H new ATOM 0 HG22 THR A 56 15.544 7.801 -5.200 1.00 10.00 H new ATOM 0 HG23 THR A 56 14.775 8.340 -3.688 1.00 10.00 H new ATOM 789 N ASN A 57 16.595 4.447 -5.144 1.00 10.00 N ATOM 790 CA ASN A 57 16.904 3.904 -6.456 1.00 10.00 C ATOM 791 C ASN A 57 15.983 4.544 -7.497 1.00 10.00 C ATOM 792 O ASN A 57 15.470 3.861 -8.381 1.00 10.00 O ATOM 793 CB ASN A 57 16.679 2.391 -6.493 1.00 10.00 C ATOM 794 CG ASN A 57 15.257 2.037 -6.054 1.00 10.00 C ATOM 795 OD1 ASN A 57 15.152 1.718 -4.767 1.00 10.00 O flip ATOM 796 ND2 ASN A 57 14.317 2.052 -6.832 1.00 10.00 N flip ATOM 0 H ASN A 57 17.397 4.539 -4.521 1.00 10.00 H new ATOM 0 HA ASN A 57 17.951 4.118 -6.672 1.00 10.00 H new ATOM 0 HB2 ASN A 57 16.855 2.018 -7.502 1.00 10.00 H new ATOM 0 HB3 ASN A 57 17.399 1.897 -5.840 1.00 10.00 H new ATOM 0 HD21 ASN A 57 14.467 2.306 -7.808 1.00 10.00 H new ATOM 0 HD22 ASN A 57 13.381 1.810 -6.506 1.00 10.00 H new ATOM 803 N ILE A 58 15.801 5.849 -7.356 1.00 10.00 N ATOM 804 CA ILE A 58 14.996 6.599 -8.305 1.00 10.00 C ATOM 805 C ILE A 58 15.601 7.992 -8.493 1.00 10.00 C ATOM 806 O ILE A 58 16.027 8.622 -7.527 1.00 10.00 O ATOM 807 CB ILE A 58 13.530 6.619 -7.866 1.00 10.00 C ATOM 808 CG1 ILE A 58 12.813 5.336 -8.289 1.00 10.00 C ATOM 809 CG2 ILE A 58 12.820 7.871 -8.385 1.00 10.00 C ATOM 810 CD1 ILE A 58 11.340 5.369 -7.875 1.00 10.00 C ATOM 0 H ILE A 58 16.197 6.406 -6.599 1.00 10.00 H new ATOM 0 HA ILE A 58 15.006 6.113 -9.281 1.00 10.00 H new ATOM 0 HB ILE A 58 13.500 6.660 -6.777 1.00 10.00 H new ATOM 0 HG12 ILE A 58 12.888 5.212 -9.369 1.00 10.00 H new ATOM 0 HG13 ILE A 58 13.303 4.475 -7.835 1.00 10.00 H new ATOM 0 HG21 ILE A 58 11.780 7.861 -8.059 1.00 10.00 H new ATOM 0 HG22 ILE A 58 13.315 8.759 -7.992 1.00 10.00 H new ATOM 0 HG23 ILE A 58 12.859 7.886 -9.474 1.00 10.00 H new ATOM 0 HD11 ILE A 58 10.853 4.445 -8.188 1.00 10.00 H new ATOM 0 HD12 ILE A 58 11.269 5.468 -6.792 1.00 10.00 H new ATOM 0 HD13 ILE A 58 10.847 6.217 -8.350 1.00 10.00 H new ATOM 822 N CYS A 59 15.619 8.430 -9.743 1.00 10.00 N ATOM 823 CA CYS A 59 16.465 9.546 -10.132 1.00 10.00 C ATOM 824 C CYS A 59 17.843 9.349 -9.497 1.00 10.00 C ATOM 825 O CYS A 59 18.302 10.192 -8.727 1.00 10.00 O ATOM 826 CB CYS A 59 15.844 10.889 -9.744 1.00 10.00 C ATOM 827 SG CYS A 59 14.596 11.526 -10.920 1.00 10.00 S ATOM 0 H CYS A 59 15.062 8.033 -10.499 1.00 10.00 H new ATOM 0 HA CYS A 59 16.566 9.568 -11.217 1.00 10.00 H new ATOM 0 HB2 CYS A 59 15.380 10.789 -8.763 1.00 10.00 H new ATOM 0 HB3 CYS A 59 16.640 11.627 -9.646 1.00 10.00 H new ATOM 832 N GLY A 60 18.464 8.230 -9.842 1.00 10.00 N ATOM 833 CA GLY A 60 19.769 7.900 -9.296 1.00 10.00 C ATOM 834 C GLY A 60 20.834 8.880 -9.791 1.00 10.00 C ATOM 835 O GLY A 60 21.867 8.467 -10.316 1.00 10.00 O ATOM 0 H GLY A 60 18.087 7.541 -10.493 1.00 10.00 H new ATOM 0 HA2 GLY A 60 19.728 7.922 -8.207 1.00 10.00 H new ATOM 0 HA3 GLY A 60 20.042 6.885 -9.584 1.00 10.00 H new TER 839 GLY A 60