USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 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 24 MET CE :methyl 159:sc= -0.111 (180deg=-0.795) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.283) USER MOD Single : A 4 ASN : amide:sc= 1.65 K(o=1.6,f=-7.5!) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0.936 (180deg=0.907) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0724) USER MOD Single : A 19 ASN : amide:sc= -0.325 K(o=-0.33,f=-3.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -161:sc= 0 (180deg=-0.347) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.0274 (180deg=-0.286) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.763 K(o=0.76,f=-3.4!) USER MOD Single : A 46 SER OG : rot -52:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.014 K(o=-0.014,f=-3.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 60 ASN : amide:sc= -1.31 K(o=-1.3,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -9.957 5.446 -0.950 1.00 0.00 N ATOM 41 CA LYS A 2 -10.097 4.266 -0.113 1.00 0.00 C ATOM 42 C LYS A 2 -9.094 3.203 -0.567 1.00 0.00 C ATOM 43 O LYS A 2 -9.116 2.777 -1.719 1.00 0.00 O ATOM 44 CB LYS A 2 -11.526 3.724 -0.171 1.00 0.00 C ATOM 45 CG LYS A 2 -12.051 3.482 -1.580 1.00 0.00 C ATOM 46 CD LYS A 2 -13.509 3.047 -1.560 1.00 0.00 C ATOM 47 CE LYS A 2 -14.444 4.238 -1.707 1.00 0.00 C ATOM 48 NZ LYS A 2 -14.882 4.769 -0.387 1.00 0.00 N ATOM 0 HA LYS A 2 -9.889 4.536 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.569 2.788 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.189 4.426 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.949 4.393 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.448 2.717 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.690 2.338 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.723 2.527 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.941 5.027 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.318 3.943 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.729 5.358 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.103 3.977 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.120 5.343 0.026 1.00 0.00 H new ATOM 61 N CYS A 3 -8.241 2.805 0.365 1.00 0.00 N ATOM 62 CA CYS A 3 -7.234 1.797 0.076 1.00 0.00 C ATOM 63 C CYS A 3 -7.480 0.598 0.996 1.00 0.00 C ATOM 64 O CYS A 3 -8.213 0.703 1.976 1.00 0.00 O ATOM 65 CB CYS A 3 -5.818 2.353 0.229 1.00 0.00 C ATOM 66 SG CYS A 3 -5.467 3.843 -0.775 1.00 0.00 S ATOM 0 H CYS A 3 -8.226 3.162 1.320 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.318 1.480 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.647 2.591 1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.105 1.574 -0.041 1.00 0.00 H new ATOM 71 N ASN A 4 -6.848 -0.513 0.644 1.00 0.00 N ATOM 72 CA ASN A 4 -7.078 -1.760 1.354 1.00 0.00 C ATOM 73 C ASN A 4 -5.986 -1.952 2.408 1.00 0.00 C ATOM 74 O ASN A 4 -4.822 -1.635 2.165 1.00 0.00 O ATOM 75 CB ASN A 4 -7.134 -2.946 0.409 1.00 0.00 C ATOM 76 CG ASN A 4 -8.368 -2.980 -0.449 1.00 0.00 C ATOM 77 OD1 ASN A 4 -9.446 -2.537 -0.037 1.00 0.00 O ATOM 78 ND2 ASN A 4 -8.234 -3.577 -1.606 1.00 0.00 N ATOM 0 H ASN A 4 -6.178 -0.575 -0.122 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.049 -1.703 1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.255 -2.927 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.082 -3.866 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.043 -3.695 -2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.320 -3.924 -1.898 1.00 0.00 H new ATOM 85 N LYS A 5 -6.399 -2.468 3.556 1.00 0.00 N ATOM 86 CA LYS A 5 -5.455 -2.789 4.613 1.00 0.00 C ATOM 87 C LYS A 5 -4.931 -4.212 4.407 1.00 0.00 C ATOM 88 O LYS A 5 -5.300 -4.879 3.443 1.00 0.00 O ATOM 89 CB LYS A 5 -6.109 -2.646 5.989 1.00 0.00 C ATOM 90 CG LYS A 5 -6.617 -1.245 6.300 1.00 0.00 C ATOM 91 CD LYS A 5 -5.535 -0.200 6.071 1.00 0.00 C ATOM 92 CE LYS A 5 -4.440 -0.294 7.123 1.00 0.00 C ATOM 93 NZ LYS A 5 -3.340 0.674 6.871 1.00 0.00 N ATOM 0 H LYS A 5 -7.374 -2.672 3.777 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.620 -2.090 4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.943 -3.345 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.387 -2.936 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.480 -1.021 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.955 -1.200 7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.102 -0.334 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.978 0.796 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.867 -0.108 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.036 -1.306 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.667 0.648 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.849 0.420 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.734 1.632 6.783 1.00 0.00 H new ATOM 106 N LEU A 6 -4.078 -4.634 5.329 1.00 0.00 N ATOM 107 CA LEU A 6 -3.534 -5.980 5.285 1.00 0.00 C ATOM 108 C LEU A 6 -4.676 -6.982 5.098 1.00 0.00 C ATOM 109 O LEU A 6 -4.538 -7.957 4.361 1.00 0.00 O ATOM 110 CB LEU A 6 -2.741 -6.283 6.564 1.00 0.00 C ATOM 111 CG LEU A 6 -2.109 -7.679 6.625 1.00 0.00 C ATOM 112 CD1 LEU A 6 -1.199 -7.894 5.423 1.00 0.00 C ATOM 113 CD2 LEU A 6 -1.332 -7.829 7.924 1.00 0.00 C ATOM 0 H LEU A 6 -3.750 -4.067 6.111 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.848 -6.065 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.951 -5.539 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.405 -6.164 7.421 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.894 -8.435 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.755 -8.888 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.781 -7.805 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.409 -7.143 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.883 -8.821 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.547 -7.074 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.008 -7.700 8.769 1.00 0.00 H new ATOM 125 N VAL A 7 -5.779 -6.706 5.779 1.00 0.00 N ATOM 126 CA VAL A 7 -7.000 -7.464 5.564 1.00 0.00 C ATOM 127 C VAL A 7 -7.636 -7.035 4.241 1.00 0.00 C ATOM 128 O VAL A 7 -8.003 -5.874 4.072 1.00 0.00 O ATOM 129 CB VAL A 7 -8.008 -7.267 6.713 1.00 0.00 C ATOM 130 CG1 VAL A 7 -9.293 -8.030 6.431 1.00 0.00 C ATOM 131 CG2 VAL A 7 -7.403 -7.714 8.035 1.00 0.00 C ATOM 0 H VAL A 7 -5.852 -5.968 6.480 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.739 -8.522 5.532 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.246 -6.206 6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.993 -7.880 7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.737 -7.665 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.071 -9.093 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.129 -7.568 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.137 -8.769 7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.509 -7.126 8.244 1.00 0.00 H new ATOM 141 N PRO A 8 -7.748 -8.022 3.312 1.00 0.00 N ATOM 142 CA PRO A 8 -8.068 -7.714 1.928 1.00 0.00 C ATOM 143 C PRO A 8 -9.568 -7.463 1.755 1.00 0.00 C ATOM 144 O PRO A 8 -10.021 -7.118 0.667 1.00 0.00 O ATOM 145 CB PRO A 8 -7.594 -8.947 1.152 1.00 0.00 C ATOM 146 CG PRO A 8 -7.647 -10.054 2.147 1.00 0.00 C ATOM 147 CD PRO A 8 -7.270 -9.427 3.463 1.00 0.00 C ATOM 0 HA PRO A 8 -7.587 -6.803 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.239 -9.150 0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.585 -8.809 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.643 -10.494 2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.957 -10.855 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.751 -9.929 4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.195 -9.471 3.638 1.00 0.00 H new ATOM 155 N ILE A 9 -10.296 -7.648 2.848 1.00 0.00 N ATOM 156 CA ILE A 9 -11.735 -7.448 2.830 1.00 0.00 C ATOM 157 C ILE A 9 -12.090 -6.242 3.699 1.00 0.00 C ATOM 158 O ILE A 9 -13.226 -6.111 4.153 1.00 0.00 O ATOM 159 CB ILE A 9 -12.493 -8.692 3.330 1.00 0.00 C ATOM 160 CG1 ILE A 9 -12.086 -9.023 4.768 1.00 0.00 C ATOM 161 CG2 ILE A 9 -12.233 -9.877 2.414 1.00 0.00 C ATOM 162 CD1 ILE A 9 -12.979 -10.042 5.436 1.00 0.00 C ATOM 0 H ILE A 9 -9.916 -7.934 3.750 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.038 -7.270 1.798 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.561 -8.476 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.062 -9.395 4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.092 -8.106 5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.776 -10.747 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.571 -9.638 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.165 -10.096 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.627 -10.224 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.001 -9.664 5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.954 -10.974 4.871 1.00 0.00 H new ATOM 174 N ALA A 10 -11.095 -5.390 3.909 1.00 0.00 N ATOM 175 CA ALA A 10 -11.295 -4.185 4.696 1.00 0.00 C ATOM 176 C ALA A 10 -10.493 -3.038 4.077 1.00 0.00 C ATOM 177 O ALA A 10 -9.306 -3.186 3.798 1.00 0.00 O ATOM 178 CB ALA A 10 -10.901 -4.453 6.150 1.00 0.00 C ATOM 0 H ALA A 10 -10.149 -5.511 3.548 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.345 -3.894 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.051 -3.549 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.519 -5.256 6.552 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.852 -4.745 6.195 1.00 0.00 H new ATOM 184 N TYR A 11 -11.178 -1.919 3.879 1.00 0.00 N ATOM 185 CA TYR A 11 -10.518 -0.713 3.414 1.00 0.00 C ATOM 186 C TYR A 11 -10.620 0.404 4.458 1.00 0.00 C ATOM 187 O TYR A 11 -11.553 0.425 5.259 1.00 0.00 O ATOM 188 CB TYR A 11 -11.122 -0.255 2.085 1.00 0.00 C ATOM 189 CG TYR A 11 -12.590 0.098 2.168 1.00 0.00 C ATOM 190 CD1 TYR A 11 -12.997 1.398 2.429 1.00 0.00 C ATOM 191 CD2 TYR A 11 -13.565 -0.871 1.983 1.00 0.00 C ATOM 192 CE1 TYR A 11 -14.338 1.725 2.505 1.00 0.00 C ATOM 193 CE2 TYR A 11 -14.908 -0.555 2.057 1.00 0.00 C ATOM 194 CZ TYR A 11 -15.290 0.745 2.319 1.00 0.00 C ATOM 195 OH TYR A 11 -16.626 1.065 2.392 1.00 0.00 O ATOM 0 H TYR A 11 -12.182 -1.824 4.032 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.463 -0.940 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.569 0.613 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.990 -1.045 1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.254 2.168 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.270 -1.889 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.638 2.742 2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -15.655 -1.321 1.911 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.164 0.261 2.236 1.00 0.00 H new ATOM 205 N LYS A 12 -9.648 1.304 4.412 1.00 0.00 N ATOM 206 CA LYS A 12 -9.690 2.492 5.247 1.00 0.00 C ATOM 207 C LYS A 12 -9.582 3.735 4.360 1.00 0.00 C ATOM 208 O LYS A 12 -8.957 3.695 3.303 1.00 0.00 O ATOM 209 CB LYS A 12 -8.567 2.468 6.286 1.00 0.00 C ATOM 210 CG LYS A 12 -8.728 1.399 7.360 1.00 0.00 C ATOM 211 CD LYS A 12 -7.695 1.567 8.464 1.00 0.00 C ATOM 212 CE LYS A 12 -7.923 0.570 9.592 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.959 0.763 10.709 1.00 0.00 N ATOM 0 H LYS A 12 -8.828 1.234 3.810 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.637 2.516 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.618 2.312 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.512 3.444 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.730 1.455 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.627 0.411 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.695 1.431 8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.743 2.582 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.940 0.675 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.830 -0.444 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.149 0.065 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.989 0.638 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.065 1.722 11.097 1.00 0.00 H new ATOM 226 N THR A 13 -10.202 4.810 4.827 1.00 0.00 N ATOM 227 CA THR A 13 -10.159 6.070 4.105 1.00 0.00 C ATOM 228 C THR A 13 -8.773 6.707 4.224 1.00 0.00 C ATOM 229 O THR A 13 -8.164 6.679 5.291 1.00 0.00 O ATOM 230 CB THR A 13 -11.222 7.055 4.624 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.520 6.452 4.538 1.00 0.00 O ATOM 232 CG2 THR A 13 -11.207 8.336 3.805 1.00 0.00 C ATOM 0 H THR A 13 -10.736 4.834 5.696 1.00 0.00 H new ATOM 0 HA THR A 13 -10.372 5.853 3.058 1.00 0.00 H new ATOM 0 HB THR A 13 -10.995 7.297 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.195 7.080 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.965 9.020 4.186 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.225 8.804 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.420 8.103 2.762 1.00 0.00 H new ATOM 240 N CYS A 14 -8.316 7.264 3.113 1.00 0.00 N ATOM 241 CA CYS A 14 -6.988 7.851 3.061 1.00 0.00 C ATOM 242 C CYS A 14 -6.995 9.130 3.901 1.00 0.00 C ATOM 243 O CYS A 14 -8.035 9.768 4.059 1.00 0.00 O ATOM 244 CB CYS A 14 -6.541 8.115 1.622 1.00 0.00 C ATOM 245 SG CYS A 14 -6.332 6.614 0.595 1.00 0.00 S ATOM 0 H CYS A 14 -8.842 7.321 2.241 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.262 7.150 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.272 8.767 1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.596 8.658 1.644 1.00 0.00 H new ATOM 250 N PRO A 15 -5.792 9.477 4.430 1.00 0.00 N ATOM 251 CA PRO A 15 -5.618 10.738 5.132 1.00 0.00 C ATOM 252 C PRO A 15 -5.628 11.916 4.154 1.00 0.00 C ATOM 253 O PRO A 15 -5.341 11.744 2.971 1.00 0.00 O ATOM 254 CB PRO A 15 -4.271 10.584 5.844 1.00 0.00 C ATOM 255 CG PRO A 15 -3.475 9.699 4.946 1.00 0.00 C ATOM 256 CD PRO A 15 -4.467 8.731 4.358 1.00 0.00 C ATOM 0 HA PRO A 15 -6.424 10.950 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.784 11.549 5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.393 10.141 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.978 10.275 4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.696 9.175 5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.210 8.470 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.501 7.800 4.924 1.00 0.00 H new ATOM 264 N GLU A 16 -5.961 13.081 4.686 1.00 0.00 N ATOM 265 CA GLU A 16 -6.064 14.276 3.864 1.00 0.00 C ATOM 266 C GLU A 16 -4.743 14.536 3.138 1.00 0.00 C ATOM 267 O GLU A 16 -3.680 14.541 3.758 1.00 0.00 O ATOM 268 CB GLU A 16 -6.452 15.485 4.720 1.00 0.00 C ATOM 269 CG GLU A 16 -6.633 16.777 3.937 1.00 0.00 C ATOM 270 CD GLU A 16 -7.058 17.905 4.834 1.00 0.00 C ATOM 271 OE1 GLU A 16 -7.231 17.673 6.007 1.00 0.00 O ATOM 272 OE2 GLU A 16 -7.102 19.021 4.373 1.00 0.00 O ATOM 0 H GLU A 16 -6.163 13.225 5.675 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.844 14.118 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.380 15.260 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.685 15.639 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.698 17.037 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.379 16.630 3.156 1.00 0.00 H new ATOM 280 N GLY A 17 -4.852 14.747 1.835 1.00 0.00 N ATOM 281 CA GLY A 17 -3.691 15.093 1.032 1.00 0.00 C ATOM 282 C GLY A 17 -3.105 13.854 0.353 1.00 0.00 C ATOM 283 O GLY A 17 -2.316 13.970 -0.584 1.00 0.00 O ATOM 0 H GLY A 17 -5.727 14.685 1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.972 15.827 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.934 15.559 1.663 1.00 0.00 H new ATOM 287 N LYS A 18 -3.514 12.696 0.851 1.00 0.00 N ATOM 288 CA LYS A 18 -3.082 11.438 0.268 1.00 0.00 C ATOM 289 C LYS A 18 -4.144 10.948 -0.719 1.00 0.00 C ATOM 290 O LYS A 18 -5.333 11.209 -0.537 1.00 0.00 O ATOM 291 CB LYS A 18 -2.829 10.392 1.354 1.00 0.00 C ATOM 292 CG LYS A 18 -1.598 10.660 2.211 1.00 0.00 C ATOM 293 CD LYS A 18 -1.663 12.035 2.858 1.00 0.00 C ATOM 294 CE LYS A 18 -0.633 12.173 3.971 1.00 0.00 C ATOM 295 NZ LYS A 18 0.749 11.908 3.485 1.00 0.00 N ATOM 0 H LYS A 18 -4.140 12.603 1.651 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.143 11.595 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.704 10.340 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.723 9.415 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.517 9.896 2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.701 10.587 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.491 12.803 2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.662 12.202 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.684 13.178 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.874 11.479 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.433 12.175 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.852 10.896 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.929 12.468 2.627 1.00 0.00 H new ATOM 308 N ASN A 19 -3.677 10.248 -1.741 1.00 0.00 N ATOM 309 CA ASN A 19 -4.531 9.906 -2.866 1.00 0.00 C ATOM 310 C ASN A 19 -4.295 8.445 -3.255 1.00 0.00 C ATOM 311 O ASN A 19 -5.247 7.696 -3.472 1.00 0.00 O ATOM 312 CB ASN A 19 -4.297 10.826 -4.051 1.00 0.00 C ATOM 313 CG ASN A 19 -5.208 10.555 -5.216 1.00 0.00 C ATOM 314 OD1 ASN A 19 -5.096 9.527 -5.892 1.00 0.00 O ATOM 315 ND2 ASN A 19 -6.056 11.510 -5.502 1.00 0.00 N ATOM 0 H ASN A 19 -2.718 9.908 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.570 10.038 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.430 11.859 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.262 10.725 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.664 11.425 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.109 12.339 -4.910 1.00 0.00 H new ATOM 322 N LEU A 20 -3.023 8.084 -3.332 1.00 0.00 N ATOM 323 CA LEU A 20 -2.634 6.845 -3.984 1.00 0.00 C ATOM 324 C LEU A 20 -2.702 5.698 -2.973 1.00 0.00 C ATOM 325 O LEU A 20 -2.654 5.928 -1.767 1.00 0.00 O ATOM 326 CB LEU A 20 -1.266 6.997 -4.651 1.00 0.00 C ATOM 327 CG LEU A 20 -1.102 8.203 -5.581 1.00 0.00 C ATOM 328 CD1 LEU A 20 0.332 8.302 -6.104 1.00 0.00 C ATOM 329 CD2 LEU A 20 -2.126 8.162 -6.716 1.00 0.00 C ATOM 0 H LEU A 20 -2.248 8.628 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.329 6.603 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.508 7.060 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.060 6.092 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.296 9.108 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.421 9.167 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.019 8.413 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.580 7.397 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.988 9.029 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.988 7.251 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.133 8.177 -6.298 1.00 0.00 H new ATOM 341 N CYS A 21 -2.812 4.490 -3.504 1.00 0.00 N ATOM 342 CA CYS A 21 -2.831 3.303 -2.667 1.00 0.00 C ATOM 343 C CYS A 21 -1.511 2.553 -2.865 1.00 0.00 C ATOM 344 O CYS A 21 -1.102 2.298 -3.996 1.00 0.00 O ATOM 345 CB CYS A 21 -4.040 2.417 -2.969 1.00 0.00 C ATOM 346 SG CYS A 21 -5.664 3.209 -2.677 1.00 0.00 S ATOM 0 H CYS A 21 -2.889 4.307 -4.505 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.929 3.595 -1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.989 2.099 -4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.975 1.517 -2.357 1.00 0.00 H new ATOM 351 N TYR A 22 -0.881 2.224 -1.747 1.00 0.00 N ATOM 352 CA TYR A 22 0.401 1.544 -1.782 1.00 0.00 C ATOM 353 C TYR A 22 0.345 0.225 -1.010 1.00 0.00 C ATOM 354 O TYR A 22 -0.444 0.081 -0.076 1.00 0.00 O ATOM 355 CB TYR A 22 1.499 2.446 -1.212 1.00 0.00 C ATOM 356 CG TYR A 22 1.516 2.508 0.300 1.00 0.00 C ATOM 357 CD1 TYR A 22 2.237 1.585 1.043 1.00 0.00 C ATOM 358 CD2 TYR A 22 0.812 3.492 0.979 1.00 0.00 C ATOM 359 CE1 TYR A 22 2.256 1.637 2.423 1.00 0.00 C ATOM 360 CE2 TYR A 22 0.825 3.554 2.358 1.00 0.00 C ATOM 361 CZ TYR A 22 1.548 2.625 3.078 1.00 0.00 C ATOM 362 OH TYR A 22 1.564 2.683 4.453 1.00 0.00 O ATOM 0 H TYR A 22 -1.236 2.416 -0.810 1.00 0.00 H new ATOM 0 HA TYR A 22 0.635 1.319 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.467 2.089 -1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.369 3.454 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.793 0.812 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.245 4.221 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.821 0.909 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.272 4.326 2.871 1.00 0.00 H new ATOM 0 HH TYR A 22 1.016 3.437 4.755 1.00 0.00 H new ATOM 372 N LYS A 23 1.190 -0.706 -1.426 1.00 0.00 N ATOM 373 CA LYS A 23 1.377 -1.937 -0.678 1.00 0.00 C ATOM 374 C LYS A 23 2.875 -2.209 -0.516 1.00 0.00 C ATOM 375 O LYS A 23 3.673 -1.849 -1.381 1.00 0.00 O ATOM 376 CB LYS A 23 0.685 -3.109 -1.375 1.00 0.00 C ATOM 377 CG LYS A 23 1.178 -3.377 -2.792 1.00 0.00 C ATOM 378 CD LYS A 23 0.552 -4.641 -3.364 1.00 0.00 C ATOM 379 CE LYS A 23 -0.965 -4.608 -3.250 1.00 0.00 C ATOM 380 NZ LYS A 23 -1.596 -5.800 -3.880 1.00 0.00 N ATOM 0 H LYS A 23 1.754 -0.632 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 23 0.925 -1.827 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.829 -4.009 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.387 -2.916 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.936 -2.527 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.264 -3.475 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.838 -4.749 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.940 -5.512 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.249 -4.560 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.345 -3.703 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.629 -5.739 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.346 -5.832 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.254 -6.663 -3.411 1.00 0.00 H new ATOM 393 N MET A 24 3.212 -2.839 0.600 1.00 0.00 N ATOM 394 CA MET A 24 4.606 -3.079 0.932 1.00 0.00 C ATOM 395 C MET A 24 4.938 -4.571 0.861 1.00 0.00 C ATOM 396 O MET A 24 4.158 -5.406 1.317 1.00 0.00 O ATOM 397 CB MET A 24 4.916 -2.529 2.323 1.00 0.00 C ATOM 398 CG MET A 24 4.787 -1.017 2.447 1.00 0.00 C ATOM 399 SD MET A 24 5.079 -0.428 4.126 1.00 0.00 S ATOM 400 CE MET A 24 6.758 -0.991 4.395 1.00 0.00 C ATOM 0 H MET A 24 2.544 -3.190 1.286 1.00 0.00 H new ATOM 0 HA MET A 24 5.227 -2.561 0.201 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.246 -2.998 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.931 -2.818 2.596 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.496 -0.539 1.771 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.789 -0.714 2.129 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.212 -0.410 5.198 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.748 -2.045 4.671 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.336 -0.861 3.480 1.00 0.00 H new ATOM 410 N PHE A 25 6.097 -4.858 0.288 1.00 0.00 N ATOM 411 CA PHE A 25 6.601 -6.223 0.262 1.00 0.00 C ATOM 412 C PHE A 25 7.891 -6.345 1.072 1.00 0.00 C ATOM 413 O PHE A 25 8.505 -5.340 1.429 1.00 0.00 O ATOM 414 CB PHE A 25 6.832 -6.677 -1.180 1.00 0.00 C ATOM 415 CG PHE A 25 5.581 -6.722 -2.010 1.00 0.00 C ATOM 416 CD1 PHE A 25 5.106 -5.580 -2.637 1.00 0.00 C ATOM 417 CD2 PHE A 25 4.876 -7.905 -2.166 1.00 0.00 C ATOM 418 CE1 PHE A 25 3.955 -5.619 -3.402 1.00 0.00 C ATOM 419 CE2 PHE A 25 3.727 -7.949 -2.929 1.00 0.00 C ATOM 420 CZ PHE A 25 3.265 -6.804 -3.548 1.00 0.00 C ATOM 0 H PHE A 25 6.702 -4.171 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 25 5.852 -6.871 0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.546 -6.003 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.286 -7.668 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.642 -4.649 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.231 -8.804 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.597 -4.722 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.189 -8.879 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.366 -6.837 -4.145 1.00 0.00 H new ATOM 430 N MET A 26 8.268 -7.588 1.340 1.00 0.00 N ATOM 431 CA MET A 26 9.616 -7.879 1.804 1.00 0.00 C ATOM 432 C MET A 26 10.356 -8.776 0.809 1.00 0.00 C ATOM 433 O MET A 26 9.767 -9.689 0.234 1.00 0.00 O ATOM 434 CB MET A 26 9.566 -8.537 3.180 1.00 0.00 C ATOM 435 CG MET A 26 8.980 -7.660 4.278 1.00 0.00 C ATOM 436 SD MET A 26 8.935 -8.486 5.881 1.00 0.00 S ATOM 437 CE MET A 26 8.222 -7.202 6.903 1.00 0.00 C ATOM 0 H MET A 26 7.664 -8.405 1.245 1.00 0.00 H new ATOM 0 HA MET A 26 10.163 -6.939 1.881 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.977 -9.452 3.110 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.576 -8.829 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.569 -6.747 4.361 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.969 -7.363 3.999 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.433 -7.412 7.951 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.654 -6.239 6.632 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.143 -7.172 6.749 1.00 0.00 H new ATOM 447 N MET A 27 11.637 -8.483 0.638 1.00 0.00 N ATOM 448 CA MET A 27 12.424 -9.144 -0.390 1.00 0.00 C ATOM 449 C MET A 27 12.205 -10.658 -0.358 1.00 0.00 C ATOM 450 O MET A 27 12.270 -11.319 -1.393 1.00 0.00 O ATOM 451 CB MET A 27 13.905 -8.813 -0.211 1.00 0.00 C ATOM 452 CG MET A 27 14.292 -7.406 -0.644 1.00 0.00 C ATOM 453 SD MET A 27 13.961 -7.100 -2.391 1.00 0.00 S ATOM 454 CE MET A 27 15.174 -8.170 -3.157 1.00 0.00 C ATOM 0 H MET A 27 12.149 -7.798 1.193 1.00 0.00 H new ATOM 0 HA MET A 27 12.096 -8.778 -1.363 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.169 -8.943 0.838 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.496 -9.531 -0.780 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.744 -6.681 -0.042 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.352 -7.248 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.270 -7.915 -4.212 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.137 -8.040 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.855 -9.208 -3.062 1.00 0.00 H new ATOM 464 N SER A 28 11.954 -11.162 0.841 1.00 0.00 N ATOM 465 CA SER A 28 11.579 -12.556 1.002 1.00 0.00 C ATOM 466 C SER A 28 10.226 -12.816 0.334 1.00 0.00 C ATOM 467 O SER A 28 10.149 -13.532 -0.664 1.00 0.00 O ATOM 468 CB SER A 28 11.533 -12.921 2.473 1.00 0.00 C ATOM 469 OG SER A 28 11.178 -14.262 2.672 1.00 0.00 O ATOM 0 H SER A 28 12.003 -10.630 1.710 1.00 0.00 H new ATOM 0 HA SER A 28 12.328 -13.183 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.508 -12.734 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.817 -12.277 2.984 1.00 0.00 H new ATOM 0 HG SER A 28 11.161 -14.457 3.632 1.00 0.00 H new ATOM 475 N ASP A 29 9.193 -12.220 0.911 1.00 0.00 N ATOM 476 CA ASP A 29 7.836 -12.468 0.457 1.00 0.00 C ATOM 477 C ASP A 29 7.450 -11.415 -0.582 1.00 0.00 C ATOM 478 O ASP A 29 6.794 -10.427 -0.255 1.00 0.00 O ATOM 479 CB ASP A 29 6.856 -12.454 1.632 1.00 0.00 C ATOM 480 CG ASP A 29 5.434 -12.861 1.270 1.00 0.00 C ATOM 481 OD1 ASP A 29 5.211 -13.223 0.140 1.00 0.00 O ATOM 482 OD2 ASP A 29 4.621 -12.958 2.158 1.00 0.00 O ATOM 0 H ASP A 29 9.269 -11.565 1.690 1.00 0.00 H new ATOM 0 HA ASP A 29 7.789 -13.457 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.227 -13.125 2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.836 -11.452 2.061 1.00 0.00 H new ATOM 488 N LEU A 30 7.871 -11.660 -1.814 1.00 0.00 N ATOM 489 CA LEU A 30 7.492 -10.800 -2.920 1.00 0.00 C ATOM 490 C LEU A 30 6.067 -11.139 -3.362 1.00 0.00 C ATOM 491 O LEU A 30 5.414 -10.341 -4.033 1.00 0.00 O ATOM 492 CB LEU A 30 8.481 -10.953 -4.084 1.00 0.00 C ATOM 493 CG LEU A 30 9.693 -10.015 -4.038 1.00 0.00 C ATOM 494 CD1 LEU A 30 9.767 -9.324 -2.684 1.00 0.00 C ATOM 495 CD2 LEU A 30 10.961 -10.810 -4.309 1.00 0.00 C ATOM 0 H LEU A 30 8.472 -12.443 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 30 7.522 -9.760 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.839 -11.982 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.946 -10.784 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 30 9.590 -9.248 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.631 -8.660 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.859 -8.744 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.864 -10.073 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.823 -10.143 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.073 -11.585 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.897 -11.272 -5.294 1.00 0.00 H new ATOM 507 N THR A 31 5.628 -12.325 -2.968 1.00 0.00 N ATOM 508 CA THR A 31 4.359 -12.851 -3.447 1.00 0.00 C ATOM 509 C THR A 31 3.193 -12.108 -2.792 1.00 0.00 C ATOM 510 O THR A 31 2.241 -11.721 -3.467 1.00 0.00 O ATOM 511 CB THR A 31 4.230 -14.359 -3.168 1.00 0.00 C ATOM 512 OG1 THR A 31 5.290 -15.063 -3.827 1.00 0.00 O ATOM 513 CG2 THR A 31 2.892 -14.881 -3.669 1.00 0.00 C ATOM 0 H THR A 31 6.127 -12.937 -2.323 1.00 0.00 H new ATOM 0 HA THR A 31 4.329 -12.699 -4.526 1.00 0.00 H new ATOM 0 HB THR A 31 4.292 -14.520 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.207 -16.023 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.818 -15.949 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.083 -14.357 -3.160 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.815 -14.712 -4.743 1.00 0.00 H new ATOM 521 N ILE A 32 3.307 -11.933 -1.483 1.00 0.00 N ATOM 522 CA ILE A 32 2.221 -11.351 -0.711 1.00 0.00 C ATOM 523 C ILE A 32 2.749 -10.151 0.076 1.00 0.00 C ATOM 524 O ILE A 32 3.714 -10.273 0.831 1.00 0.00 O ATOM 525 CB ILE A 32 1.592 -12.371 0.256 1.00 0.00 C ATOM 526 CG1 ILE A 32 0.920 -13.503 -0.526 1.00 0.00 C ATOM 527 CG2 ILE A 32 0.592 -11.687 1.174 1.00 0.00 C ATOM 528 CD1 ILE A 32 -0.237 -13.048 -1.387 1.00 0.00 C ATOM 0 H ILE A 32 4.132 -12.183 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 32 1.444 -11.035 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 32 2.383 -12.800 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.664 -13.986 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.563 -14.256 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.157 -12.423 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.099 -10.916 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.198 -11.232 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.661 -13.906 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.001 -12.592 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.116 -12.318 -2.115 1.00 0.00 H new ATOM 540 N PRO A 33 2.076 -8.987 -0.129 1.00 0.00 N ATOM 541 CA PRO A 33 2.449 -7.771 0.572 1.00 0.00 C ATOM 542 C PRO A 33 2.059 -7.846 2.049 1.00 0.00 C ATOM 543 O PRO A 33 1.193 -8.636 2.426 1.00 0.00 O ATOM 544 CB PRO A 33 1.693 -6.666 -0.173 1.00 0.00 C ATOM 545 CG PRO A 33 0.487 -7.348 -0.724 1.00 0.00 C ATOM 546 CD PRO A 33 0.942 -8.739 -1.076 1.00 0.00 C ATOM 0 HA PRO A 33 3.525 -7.594 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.418 -5.852 0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.302 -6.233 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.320 -7.372 0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.106 -6.825 -1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.142 -9.468 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.265 -8.805 -2.115 1.00 0.00 H new ATOM 554 N VAL A 34 2.717 -7.017 2.845 1.00 0.00 N ATOM 555 CA VAL A 34 2.724 -7.210 4.286 1.00 0.00 C ATOM 556 C VAL A 34 2.011 -6.034 4.956 1.00 0.00 C ATOM 557 O VAL A 34 1.555 -6.147 6.094 1.00 0.00 O ATOM 558 CB VAL A 34 4.155 -7.338 4.841 1.00 0.00 C ATOM 559 CG1 VAL A 34 4.876 -8.508 4.190 1.00 0.00 C ATOM 560 CG2 VAL A 34 4.930 -6.047 4.621 1.00 0.00 C ATOM 0 H VAL A 34 3.249 -6.210 2.520 1.00 0.00 H new ATOM 0 HA VAL A 34 2.202 -8.142 4.505 1.00 0.00 H new ATOM 0 HB VAL A 34 4.093 -7.524 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.886 -8.584 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.333 -9.430 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.927 -8.350 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.939 -6.156 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.983 -5.832 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.425 -5.228 5.132 1.00 0.00 H new ATOM 570 N LYS A 35 1.939 -4.932 4.225 1.00 0.00 N ATOM 571 CA LYS A 35 1.217 -3.764 4.700 1.00 0.00 C ATOM 572 C LYS A 35 0.637 -3.007 3.504 1.00 0.00 C ATOM 573 O LYS A 35 1.230 -2.991 2.426 1.00 0.00 O ATOM 574 CB LYS A 35 2.130 -2.856 5.525 1.00 0.00 C ATOM 575 CG LYS A 35 2.448 -3.383 6.919 1.00 0.00 C ATOM 576 CD LYS A 35 2.956 -2.272 7.827 1.00 0.00 C ATOM 577 CE LYS A 35 1.816 -1.396 8.323 1.00 0.00 C ATOM 578 NZ LYS A 35 2.265 -0.436 9.367 1.00 0.00 N ATOM 0 H LYS A 35 2.369 -4.823 3.307 1.00 0.00 H new ATOM 0 HA LYS A 35 0.403 -4.088 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.064 -2.711 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.660 -1.877 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.554 -3.831 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.198 -4.171 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.480 -2.707 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.678 -1.660 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.390 -0.846 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.024 -2.026 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.458 0.142 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.648 -0.961 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.003 0.183 8.975 1.00 0.00 H new ATOM 591 N ARG A 36 -0.518 -2.398 3.732 1.00 0.00 N ATOM 592 CA ARG A 36 -1.166 -1.607 2.700 1.00 0.00 C ATOM 593 C ARG A 36 -1.872 -0.401 3.320 1.00 0.00 C ATOM 594 O ARG A 36 -2.401 -0.489 4.426 1.00 0.00 O ATOM 595 CB ARG A 36 -2.109 -2.438 1.843 1.00 0.00 C ATOM 596 CG ARG A 36 -1.449 -3.581 1.089 1.00 0.00 C ATOM 597 CD ARG A 36 -1.560 -4.903 1.758 1.00 0.00 C ATOM 598 NE ARG A 36 -2.921 -5.396 1.894 1.00 0.00 N ATOM 599 CZ ARG A 36 -3.554 -6.156 0.978 1.00 0.00 C ATOM 600 NH1 ARG A 36 -2.970 -6.479 -0.154 1.00 0.00 N ATOM 601 NH2 ARG A 36 -4.790 -6.547 1.239 1.00 0.00 N ATOM 0 H ARG A 36 -1.022 -2.437 4.618 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.392 -1.239 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.892 -2.847 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.597 -1.781 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.895 -3.651 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.394 -3.346 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.977 -5.632 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.111 -4.834 2.749 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.432 -5.150 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.023 -6.154 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.463 -7.055 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.238 -6.273 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.296 -7.123 0.566 1.00 0.00 H new ATOM 614 N GLY A 37 -1.858 0.698 2.580 1.00 0.00 N ATOM 615 CA GLY A 37 -2.425 1.941 3.074 1.00 0.00 C ATOM 616 C GLY A 37 -2.465 3.002 1.973 1.00 0.00 C ATOM 617 O GLY A 37 -2.315 2.684 0.794 1.00 0.00 O ATOM 0 H GLY A 37 -1.463 0.753 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.433 1.762 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.834 2.306 3.914 1.00 0.00 H new ATOM 621 N CYS A 38 -2.666 4.242 2.396 1.00 0.00 N ATOM 622 CA CYS A 38 -2.742 5.350 1.460 1.00 0.00 C ATOM 623 C CYS A 38 -1.462 6.177 1.590 1.00 0.00 C ATOM 624 O CYS A 38 -0.812 6.162 2.634 1.00 0.00 O ATOM 625 CB CYS A 38 -3.995 6.198 1.687 1.00 0.00 C ATOM 626 SG CYS A 38 -5.546 5.244 1.857 1.00 0.00 S ATOM 0 H CYS A 38 -2.779 4.503 3.376 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.823 4.965 0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.853 6.797 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.102 6.893 0.854 1.00 0.00 H new ATOM 631 N ILE A 39 -1.136 6.879 0.513 1.00 0.00 N ATOM 632 CA ILE A 39 -0.056 7.849 0.551 1.00 0.00 C ATOM 633 C ILE A 39 -0.218 8.832 -0.610 1.00 0.00 C ATOM 634 O ILE A 39 -0.924 8.546 -1.575 1.00 0.00 O ATOM 635 CB ILE A 39 1.326 7.175 0.472 1.00 0.00 C ATOM 636 CG1 ILE A 39 2.427 8.164 0.861 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.570 6.622 -0.924 1.00 0.00 C ATOM 638 CD1 ILE A 39 3.716 7.505 1.294 1.00 0.00 C ATOM 0 H ILE A 39 -1.602 6.794 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.111 8.376 1.503 1.00 0.00 H new ATOM 0 HB ILE A 39 1.346 6.344 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.631 8.817 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.064 8.797 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.551 6.149 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.803 5.885 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.531 7.435 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.447 8.271 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.528 6.874 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.104 6.894 0.479 1.00 0.00 H new ATOM 650 N ASP A 40 0.449 9.968 -0.480 1.00 0.00 N ATOM 651 CA ASP A 40 0.354 11.012 -1.486 1.00 0.00 C ATOM 652 C ASP A 40 1.427 10.785 -2.554 1.00 0.00 C ATOM 653 O ASP A 40 1.135 10.812 -3.748 1.00 0.00 O ATOM 654 CB ASP A 40 0.506 12.396 -0.850 1.00 0.00 C ATOM 655 CG ASP A 40 1.748 12.558 0.017 1.00 0.00 C ATOM 656 OD1 ASP A 40 2.378 11.569 0.307 1.00 0.00 O ATOM 657 OD2 ASP A 40 2.143 13.675 0.249 1.00 0.00 O ATOM 0 H ASP A 40 1.058 10.189 0.308 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.630 10.970 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.530 13.145 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.375 12.602 -0.243 1.00 0.00 H new ATOM 663 N VAL A 41 2.646 10.564 -2.084 1.00 0.00 N ATOM 664 CA VAL A 41 3.767 10.358 -2.984 1.00 0.00 C ATOM 665 C VAL A 41 4.289 8.928 -2.821 1.00 0.00 C ATOM 666 O VAL A 41 4.557 8.484 -1.704 1.00 0.00 O ATOM 667 CB VAL A 41 4.907 11.360 -2.720 1.00 0.00 C ATOM 668 CG1 VAL A 41 6.066 11.112 -3.674 1.00 0.00 C ATOM 669 CG2 VAL A 41 4.403 12.788 -2.858 1.00 0.00 C ATOM 0 H VAL A 41 2.881 10.523 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 41 3.416 10.519 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 41 5.262 11.216 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.862 11.829 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.444 10.100 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.723 11.229 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.221 13.483 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.022 12.943 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.604 12.963 -2.138 1.00 0.00 H new ATOM 679 N CYS A 42 4.417 8.246 -3.949 1.00 0.00 N ATOM 680 CA CYS A 42 4.777 6.838 -3.936 1.00 0.00 C ATOM 681 C CYS A 42 6.231 6.718 -3.479 1.00 0.00 C ATOM 682 O CYS A 42 7.130 7.288 -4.098 1.00 0.00 O ATOM 683 CB CYS A 42 4.551 6.184 -5.301 1.00 0.00 C ATOM 684 SG CYS A 42 4.829 4.376 -5.341 1.00 0.00 S ATOM 0 H CYS A 42 4.278 8.642 -4.879 1.00 0.00 H new ATOM 0 HA CYS A 42 4.133 6.302 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.529 6.387 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.212 6.655 -6.028 1.00 0.00 H new ATOM 689 N PRO A 43 6.424 5.951 -2.372 1.00 0.00 N ATOM 690 CA PRO A 43 7.752 5.770 -1.809 1.00 0.00 C ATOM 691 C PRO A 43 8.619 4.897 -2.720 1.00 0.00 C ATOM 692 O PRO A 43 8.149 3.894 -3.253 1.00 0.00 O ATOM 693 CB PRO A 43 7.494 5.113 -0.449 1.00 0.00 C ATOM 694 CG PRO A 43 6.180 4.430 -0.610 1.00 0.00 C ATOM 695 CD PRO A 43 5.388 5.302 -1.548 1.00 0.00 C ATOM 0 HA PRO A 43 8.303 6.705 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.282 4.404 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.461 5.854 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.306 3.427 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.673 4.323 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.700 4.715 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.789 6.034 -1.006 1.00 0.00 H new ATOM 703 N LYS A 44 9.867 5.312 -2.869 1.00 0.00 N ATOM 704 CA LYS A 44 10.799 4.593 -3.722 1.00 0.00 C ATOM 705 C LYS A 44 11.150 3.254 -3.069 1.00 0.00 C ATOM 706 O LYS A 44 11.043 3.104 -1.853 1.00 0.00 O ATOM 707 CB LYS A 44 12.060 5.421 -3.973 1.00 0.00 C ATOM 708 CG LYS A 44 11.829 6.689 -4.785 1.00 0.00 C ATOM 709 CD LYS A 44 13.126 7.457 -4.993 1.00 0.00 C ATOM 710 CE LYS A 44 12.903 8.701 -5.841 1.00 0.00 C ATOM 711 NZ LYS A 44 14.164 9.464 -6.051 1.00 0.00 N ATOM 0 H LYS A 44 10.256 6.138 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 44 10.329 4.410 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.498 5.694 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.790 4.800 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.398 6.430 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.106 7.324 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.541 7.743 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.860 6.812 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.488 8.412 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.167 9.343 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.969 10.303 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.547 9.762 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.858 8.860 -6.536 1.00 0.00 H new ATOM 724 N ASN A 45 11.563 2.314 -3.907 1.00 0.00 N ATOM 725 CA ASN A 45 11.809 0.958 -3.448 1.00 0.00 C ATOM 726 C ASN A 45 13.102 0.927 -2.630 1.00 0.00 C ATOM 727 O ASN A 45 14.064 1.620 -2.957 1.00 0.00 O ATOM 728 CB ASN A 45 11.875 -0.026 -4.601 1.00 0.00 C ATOM 729 CG ASN A 45 10.566 -0.206 -5.320 1.00 0.00 C ATOM 730 OD1 ASN A 45 9.490 0.015 -4.754 1.00 0.00 O ATOM 731 ND2 ASN A 45 10.651 -0.682 -6.536 1.00 0.00 N ATOM 0 H ASN A 45 11.733 2.465 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 45 10.974 0.650 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.627 0.313 -5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.207 -0.993 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.803 -0.889 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.566 -0.846 -6.957 1.00 0.00 H new ATOM 738 N SER A 46 13.082 0.117 -1.581 1.00 0.00 N ATOM 739 CA SER A 46 14.251 -0.036 -0.732 1.00 0.00 C ATOM 740 C SER A 46 14.856 -1.428 -0.919 1.00 0.00 C ATOM 741 O SER A 46 14.313 -2.251 -1.654 1.00 0.00 O ATOM 742 CB SER A 46 13.883 0.202 0.719 1.00 0.00 C ATOM 743 OG SER A 46 13.021 -0.786 1.213 1.00 0.00 O ATOM 0 H SER A 46 12.275 -0.440 -1.300 1.00 0.00 H new ATOM 0 HA SER A 46 14.997 0.705 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.790 0.226 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.408 1.178 0.817 1.00 0.00 H new ATOM 0 HG SER A 46 12.256 -0.885 0.608 1.00 0.00 H new ATOM 749 N LEU A 47 15.971 -1.651 -0.240 1.00 0.00 N ATOM 750 CA LEU A 47 16.692 -2.904 -0.373 1.00 0.00 C ATOM 751 C LEU A 47 15.956 -3.995 0.407 1.00 0.00 C ATOM 752 O LEU A 47 16.069 -5.177 0.085 1.00 0.00 O ATOM 753 CB LEU A 47 18.136 -2.753 0.124 1.00 0.00 C ATOM 754 CG LEU A 47 19.001 -1.770 -0.674 1.00 0.00 C ATOM 755 CD1 LEU A 47 20.362 -1.613 -0.010 1.00 0.00 C ATOM 756 CD2 LEU A 47 19.152 -2.268 -2.103 1.00 0.00 C ATOM 0 H LEU A 47 16.393 -0.983 0.405 1.00 0.00 H new ATOM 0 HA LEU A 47 16.734 -3.186 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.113 -2.430 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.614 -3.732 0.104 1.00 0.00 H new ATOM 0 HG LEU A 47 18.517 -0.794 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.969 -0.913 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.231 -1.233 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.862 -2.581 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.767 -1.568 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.628 -3.248 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.169 -2.345 -2.567 1.00 0.00 H new ATOM 768 N LEU A 48 15.215 -3.561 1.416 1.00 0.00 N ATOM 769 CA LEU A 48 14.591 -4.491 2.343 1.00 0.00 C ATOM 770 C LEU A 48 13.144 -4.736 1.913 1.00 0.00 C ATOM 771 O LEU A 48 12.705 -5.882 1.820 1.00 0.00 O ATOM 772 CB LEU A 48 14.654 -3.948 3.777 1.00 0.00 C ATOM 773 CG LEU A 48 16.068 -3.744 4.335 1.00 0.00 C ATOM 774 CD1 LEU A 48 15.996 -3.133 5.728 1.00 0.00 C ATOM 775 CD2 LEU A 48 16.799 -5.078 4.369 1.00 0.00 C ATOM 0 H LEU A 48 15.032 -2.577 1.612 1.00 0.00 H new ATOM 0 HA LEU A 48 15.132 -5.437 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.126 -2.995 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.117 -4.634 4.432 1.00 0.00 H new ATOM 0 HG LEU A 48 16.618 -3.059 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.005 -2.992 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.489 -2.170 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.443 -3.800 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.804 -4.932 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.255 -5.775 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.863 -5.484 3.359 1.00 0.00 H new ATOM 787 N VAL A 49 12.439 -3.642 1.666 1.00 0.00 N ATOM 788 CA VAL A 49 11.024 -3.720 1.345 1.00 0.00 C ATOM 789 C VAL A 49 10.772 -3.034 0.001 1.00 0.00 C ATOM 790 O VAL A 49 11.436 -2.053 -0.333 1.00 0.00 O ATOM 791 CB VAL A 49 10.152 -3.068 2.435 1.00 0.00 C ATOM 792 CG1 VAL A 49 10.273 -3.836 3.743 1.00 0.00 C ATOM 793 CG2 VAL A 49 10.546 -1.613 2.633 1.00 0.00 C ATOM 0 H VAL A 49 12.821 -2.696 1.682 1.00 0.00 H new ATOM 0 HA VAL A 49 10.747 -4.773 1.288 1.00 0.00 H new ATOM 0 HB VAL A 49 9.112 -3.101 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.651 -3.362 4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.943 -4.864 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.312 -3.833 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.920 -1.168 3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.592 -1.557 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.410 -1.069 1.699 1.00 0.00 H new ATOM 803 N LYS A 50 9.811 -3.576 -0.732 1.00 0.00 N ATOM 804 CA LYS A 50 9.445 -3.013 -2.021 1.00 0.00 C ATOM 805 C LYS A 50 8.104 -2.288 -1.895 1.00 0.00 C ATOM 806 O LYS A 50 7.236 -2.710 -1.133 1.00 0.00 O ATOM 807 CB LYS A 50 9.374 -4.103 -3.091 1.00 0.00 C ATOM 808 CG LYS A 50 8.959 -3.606 -4.470 1.00 0.00 C ATOM 809 CD LYS A 50 8.870 -4.751 -5.467 1.00 0.00 C ATOM 810 CE LYS A 50 8.409 -4.262 -6.833 1.00 0.00 C ATOM 811 NZ LYS A 50 8.235 -5.383 -7.796 1.00 0.00 N ATOM 0 H LYS A 50 9.274 -4.399 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 50 10.210 -2.300 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.350 -4.582 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.669 -4.868 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.994 -3.104 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.678 -2.868 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.844 -5.231 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.177 -5.506 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.466 -3.725 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.136 -3.553 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.921 -5.007 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.140 -5.880 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.522 -6.047 -7.431 1.00 0.00 H new ATOM 824 N TYR A 51 7.975 -1.211 -2.656 1.00 0.00 N ATOM 825 CA TYR A 51 6.767 -0.406 -2.615 1.00 0.00 C ATOM 826 C TYR A 51 6.058 -0.409 -3.971 1.00 0.00 C ATOM 827 O TYR A 51 6.671 -0.111 -4.996 1.00 0.00 O ATOM 828 CB TYR A 51 7.097 1.027 -2.190 1.00 0.00 C ATOM 829 CG TYR A 51 7.667 1.137 -0.793 1.00 0.00 C ATOM 830 CD1 TYR A 51 9.037 1.131 -0.580 1.00 0.00 C ATOM 831 CD2 TYR A 51 6.831 1.248 0.309 1.00 0.00 C ATOM 832 CE1 TYR A 51 9.563 1.231 0.694 1.00 0.00 C ATOM 833 CE2 TYR A 51 7.346 1.349 1.587 1.00 0.00 C ATOM 834 CZ TYR A 51 8.713 1.340 1.775 1.00 0.00 C ATOM 835 OH TYR A 51 9.230 1.442 3.046 1.00 0.00 O ATOM 0 H TYR A 51 8.688 -0.877 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 51 6.093 -0.845 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.811 1.450 -2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.192 1.631 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.705 1.047 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.761 1.256 0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.633 1.224 0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.682 1.435 2.435 1.00 0.00 H new ATOM 0 HH TYR A 51 8.497 1.512 3.693 1.00 0.00 H new ATOM 845 N VAL A 52 4.778 -0.749 -3.935 1.00 0.00 N ATOM 846 CA VAL A 52 3.953 -0.688 -5.128 1.00 0.00 C ATOM 847 C VAL A 52 2.744 0.210 -4.861 1.00 0.00 C ATOM 848 O VAL A 52 2.040 0.028 -3.870 1.00 0.00 O ATOM 849 CB VAL A 52 3.477 -2.084 -5.571 1.00 0.00 C ATOM 850 CG1 VAL A 52 2.646 -1.986 -6.842 1.00 0.00 C ATOM 851 CG2 VAL A 52 4.665 -3.010 -5.783 1.00 0.00 C ATOM 0 H VAL A 52 4.292 -1.068 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 52 4.558 -0.276 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 52 2.852 -2.500 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.318 -2.982 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.775 -1.357 -6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.249 -1.549 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.310 -3.992 -6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.315 -2.597 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.223 -3.106 -4.851 1.00 0.00 H new ATOM 861 N CYS A 53 2.540 1.157 -5.765 1.00 0.00 N ATOM 862 CA CYS A 53 1.447 2.105 -5.621 1.00 0.00 C ATOM 863 C CYS A 53 0.535 1.975 -6.842 1.00 0.00 C ATOM 864 O CYS A 53 0.948 1.462 -7.878 1.00 0.00 O ATOM 865 CB CYS A 53 1.959 3.537 -5.442 1.00 0.00 C ATOM 866 SG CYS A 53 3.293 3.724 -4.202 1.00 0.00 S ATOM 0 H CYS A 53 3.112 1.288 -6.599 1.00 0.00 H new ATOM 0 HA CYS A 53 0.881 1.876 -4.718 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.322 3.901 -6.403 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.123 4.174 -5.154 1.00 0.00 H new ATOM 871 N CYS A 54 -0.692 2.449 -6.675 1.00 0.00 N ATOM 872 CA CYS A 54 -1.645 2.458 -7.773 1.00 0.00 C ATOM 873 C CYS A 54 -2.704 3.523 -7.481 1.00 0.00 C ATOM 874 O CYS A 54 -3.019 3.788 -6.321 1.00 0.00 O ATOM 875 CB CYS A 54 -2.269 1.077 -7.991 1.00 0.00 C ATOM 876 SG CYS A 54 -2.820 0.235 -6.463 1.00 0.00 S ATOM 0 H CYS A 54 -1.047 2.829 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.131 2.703 -8.702 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.123 1.181 -8.660 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.543 0.441 -8.498 1.00 0.00 H new ATOM 881 N ASN A 55 -3.224 4.104 -8.552 1.00 0.00 N ATOM 882 CA ASN A 55 -3.898 5.388 -8.455 1.00 0.00 C ATOM 883 C ASN A 55 -5.410 5.174 -8.552 1.00 0.00 C ATOM 884 O ASN A 55 -6.126 6.024 -9.080 1.00 0.00 O ATOM 885 CB ASN A 55 -3.419 6.358 -9.518 1.00 0.00 C ATOM 886 CG ASN A 55 -3.683 5.895 -10.923 1.00 0.00 C ATOM 887 OD1 ASN A 55 -4.068 4.743 -11.157 1.00 0.00 O ATOM 888 ND2 ASN A 55 -3.403 6.759 -11.866 1.00 0.00 N ATOM 0 H ASN A 55 -3.192 3.709 -9.492 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.656 5.834 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.907 7.321 -9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.348 6.520 -9.394 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.499 6.493 -12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.089 7.698 -11.621 1.00 0.00 H new ATOM 895 N THR A 56 -5.848 4.038 -8.034 1.00 0.00 N ATOM 896 CA THR A 56 -7.272 3.749 -7.962 1.00 0.00 C ATOM 897 C THR A 56 -7.632 3.177 -6.588 1.00 0.00 C ATOM 898 O THR A 56 -6.750 2.883 -5.785 1.00 0.00 O ATOM 899 CB THR A 56 -7.704 2.759 -9.059 1.00 0.00 C ATOM 900 OG1 THR A 56 -6.943 1.550 -8.942 1.00 0.00 O ATOM 901 CG2 THR A 56 -7.483 3.361 -10.439 1.00 0.00 C ATOM 0 H THR A 56 -5.244 3.306 -7.660 1.00 0.00 H new ATOM 0 HA THR A 56 -7.804 4.688 -8.117 1.00 0.00 H new ATOM 0 HB THR A 56 -8.765 2.543 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.220 0.920 -9.640 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.794 2.647 -11.202 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.070 4.274 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.426 3.594 -10.569 1.00 0.00 H new ATOM 909 N ASP A 57 -8.929 3.039 -6.363 1.00 0.00 N ATOM 910 CA ASP A 57 -9.425 2.653 -5.052 1.00 0.00 C ATOM 911 C ASP A 57 -9.314 1.135 -4.898 1.00 0.00 C ATOM 912 O ASP A 57 -9.584 0.391 -5.840 1.00 0.00 O ATOM 913 CB ASP A 57 -10.872 3.113 -4.856 1.00 0.00 C ATOM 914 CG ASP A 57 -11.036 4.616 -4.681 1.00 0.00 C ATOM 915 OD1 ASP A 57 -10.416 5.163 -3.799 1.00 0.00 O ATOM 916 OD2 ASP A 57 -11.652 5.228 -5.520 1.00 0.00 O ATOM 0 H ASP A 57 -9.653 3.187 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.820 3.138 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.462 2.793 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.285 2.611 -3.981 1.00 0.00 H new ATOM 922 N ARG A 58 -8.918 0.722 -3.703 1.00 0.00 N ATOM 923 CA ARG A 58 -8.923 -0.691 -3.361 1.00 0.00 C ATOM 924 C ARG A 58 -8.168 -1.496 -4.421 1.00 0.00 C ATOM 925 O ARG A 58 -8.540 -2.628 -4.724 1.00 0.00 O ATOM 926 CB ARG A 58 -10.331 -1.224 -3.138 1.00 0.00 C ATOM 927 CG ARG A 58 -11.121 -0.509 -2.053 1.00 0.00 C ATOM 928 CD ARG A 58 -12.353 -1.219 -1.625 1.00 0.00 C ATOM 929 NE ARG A 58 -12.114 -2.477 -0.935 1.00 0.00 N ATOM 930 CZ ARG A 58 -13.056 -3.411 -0.698 1.00 0.00 C ATOM 931 NH1 ARG A 58 -14.306 -3.217 -1.057 1.00 0.00 N ATOM 932 NH2 ARG A 58 -12.695 -4.517 -0.072 1.00 0.00 N ATOM 0 H ARG A 58 -8.592 1.340 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.402 -0.807 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.883 -1.154 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.267 -2.282 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.477 -0.367 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.394 0.483 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.927 -0.563 -0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.970 -1.412 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.167 -2.665 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.574 -2.350 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.007 -3.934 -0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.726 -4.646 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.386 -5.242 0.122 1.00 0.00 H new ATOM 945 N CYS A 59 -7.123 -0.882 -4.952 1.00 0.00 N ATOM 946 CA CYS A 59 -6.337 -1.511 -5.998 1.00 0.00 C ATOM 947 C CYS A 59 -5.257 -2.371 -5.339 1.00 0.00 C ATOM 948 O CYS A 59 -4.840 -3.386 -5.895 1.00 0.00 O ATOM 949 CB CYS A 59 -5.737 -0.479 -6.955 1.00 0.00 C ATOM 950 SG CYS A 59 -4.726 0.818 -6.150 1.00 0.00 S ATOM 0 H CYS A 59 -6.802 0.046 -4.677 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.982 -2.144 -6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.119 -0.999 -7.687 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.547 0.000 -7.504 1.00 0.00 H new ATOM 955 N ASN A 60 -4.836 -1.934 -4.161 1.00 0.00 N ATOM 956 CA ASN A 60 -3.800 -2.643 -3.427 1.00 0.00 C ATOM 957 C ASN A 60 -4.454 -3.583 -2.412 1.00 0.00 C ATOM 958 O ASN A 60 -5.599 -3.995 -2.590 1.00 0.00 O ATOM 959 CB ASN A 60 -2.903 -1.669 -2.660 1.00 0.00 C ATOM 960 CG ASN A 60 -3.684 -0.965 -1.548 1.00 0.00 C ATOM 961 OD1 ASN A 60 -4.883 -1.133 -1.393 1.00 0.00 O ATOM 962 ND2 ASN A 60 -2.939 -0.173 -0.783 1.00 0.00 N ATOM 963 OXT ASN A 60 -3.847 -3.924 -1.433 1.00 0.00 O ATOM 0 H ASN A 60 -5.193 -1.099 -3.697 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.197 -3.198 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.058 -2.208 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.493 -0.928 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.366 0.339 -0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.940 -0.078 -0.968 1.00 0.00 H new