USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 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 8 TYR OH : rot 15:sc= -0.521 USER MOD Set 1.2: A 11 TYR OH : rot 51:sc= -1.09 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.527 K(o=-0.53,f=0.43) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.22! K(o=-1.2!,f=0.18) USER MOD Single : A 21 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.6!) USER MOD Single : A 23 ASN : amide:sc= -0.0521 K(o=-0.052,f=-5.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.057) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00903) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.41) USER MOD Single : A 46 GLN : amide:sc= -1.27 K(o=-1.3,f=-6.1!) USER MOD Single : A 51 TYR OH : rot 28:sc= 0.063 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 9.143 5.560 -6.569 1.00 0.00 N ATOM 63 CA LYS A 5 9.052 5.419 -8.017 1.00 0.00 C ATOM 64 C LYS A 5 7.627 5.079 -8.441 1.00 0.00 C ATOM 65 O LYS A 5 6.941 4.296 -7.783 1.00 0.00 O ATOM 66 CB LYS A 5 10.013 4.333 -8.506 1.00 0.00 C ATOM 67 CG LYS A 5 11.471 4.758 -8.485 1.00 0.00 C ATOM 68 CD LYS A 5 12.302 3.948 -9.466 1.00 0.00 C ATOM 69 CE LYS A 5 13.559 3.396 -8.810 1.00 0.00 C ATOM 70 NZ LYS A 5 14.571 2.973 -9.817 1.00 0.00 N ATOM 0 HA LYS A 5 9.330 6.372 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.893 3.446 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.740 4.049 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.546 5.817 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.872 4.636 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.704 3.125 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.578 4.574 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.991 4.155 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.296 2.546 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.412 2.603 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.168 2.231 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.841 3.789 -10.402 1.00 0.00 H new ATOM 84 N LYS A 6 7.186 5.671 -9.546 1.00 0.00 N ATOM 85 CA LYS A 6 5.844 5.430 -10.061 1.00 0.00 C ATOM 86 C LYS A 6 5.875 5.174 -11.565 1.00 0.00 C ATOM 87 O LYS A 6 6.631 5.812 -12.297 1.00 0.00 O ATOM 88 CB LYS A 6 4.936 6.623 -9.755 1.00 0.00 C ATOM 89 CG LYS A 6 3.576 6.227 -9.205 1.00 0.00 C ATOM 90 CD LYS A 6 2.844 5.289 -10.150 1.00 0.00 C ATOM 91 CE LYS A 6 1.336 5.404 -9.992 1.00 0.00 C ATOM 92 NZ LYS A 6 0.682 5.877 -11.244 1.00 0.00 N ATOM 0 H LYS A 6 7.740 6.322 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 6 5.447 4.543 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.434 7.273 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.795 7.205 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.701 5.744 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.975 7.121 -9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.122 5.518 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.154 4.262 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.925 4.434 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.107 6.094 -9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.345 5.942 -11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.055 6.814 -11.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.879 5.206 -12.013 1.00 0.00 H new ATOM 106 N VAL A 7 5.049 4.237 -12.018 1.00 0.00 N ATOM 107 CA VAL A 7 4.980 3.898 -13.435 1.00 0.00 C ATOM 108 C VAL A 7 4.246 4.977 -14.223 1.00 0.00 C ATOM 109 O VAL A 7 3.205 5.474 -13.793 1.00 0.00 O ATOM 110 CB VAL A 7 4.275 2.547 -13.656 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.828 2.618 -13.193 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.356 2.137 -15.119 1.00 0.00 C ATOM 0 H VAL A 7 4.418 3.699 -11.425 1.00 0.00 H new ATOM 0 HA VAL A 7 6.007 3.826 -13.793 1.00 0.00 H new ATOM 0 HB VAL A 7 4.785 1.789 -13.061 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.346 1.654 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.797 2.863 -12.131 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.302 3.388 -13.758 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.853 1.180 -15.257 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.872 2.894 -15.736 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.401 2.043 -15.413 1.00 0.00 H new ATOM 122 N TYR A 8 4.794 5.334 -15.379 1.00 0.00 N ATOM 123 CA TYR A 8 4.192 6.356 -16.227 1.00 0.00 C ATOM 124 C TYR A 8 2.963 5.811 -16.947 1.00 0.00 C ATOM 125 O TYR A 8 2.945 4.661 -17.384 1.00 0.00 O ATOM 126 CB TYR A 8 5.211 6.866 -17.248 1.00 0.00 C ATOM 127 CG TYR A 8 5.166 8.364 -17.452 1.00 0.00 C ATOM 128 CD1 TYR A 8 4.035 8.979 -17.976 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.253 9.163 -17.122 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.989 10.347 -18.165 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.216 10.532 -17.306 1.00 0.00 C ATOM 132 CZ TYR A 8 5.082 11.119 -17.828 1.00 0.00 C ATOM 133 OH TYR A 8 5.041 12.482 -18.014 1.00 0.00 O ATOM 0 H TYR A 8 5.654 4.931 -15.750 1.00 0.00 H new ATOM 0 HA TYR A 8 3.880 7.184 -15.590 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.212 6.582 -16.923 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.034 6.372 -18.203 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.178 8.377 -18.240 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.143 8.706 -16.714 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.103 10.809 -18.574 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.070 11.139 -17.043 1.00 0.00 H new ATOM 0 HH TYR A 8 4.114 12.765 -18.158 1.00 0.00 H new ATOM 143 N GLU A 9 1.936 6.648 -17.067 1.00 0.00 N ATOM 144 CA GLU A 9 0.702 6.250 -17.733 1.00 0.00 C ATOM 145 C GLU A 9 1.000 5.499 -19.028 1.00 0.00 C ATOM 146 O GLU A 9 0.466 4.417 -19.267 1.00 0.00 O ATOM 147 CB GLU A 9 -0.161 7.478 -18.031 1.00 0.00 C ATOM 148 CG GLU A 9 -0.721 8.145 -16.785 1.00 0.00 C ATOM 149 CD GLU A 9 -2.236 8.209 -16.788 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.871 7.233 -17.240 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.787 9.235 -16.338 1.00 0.00 O ATOM 0 H GLU A 9 1.935 7.604 -16.712 1.00 0.00 H new ATOM 0 HA GLU A 9 0.157 5.584 -17.064 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.434 8.204 -18.585 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.987 7.183 -18.678 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.386 7.599 -15.903 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.319 9.155 -16.706 1.00 0.00 H new ATOM 158 N ASN A 10 1.857 6.083 -19.860 1.00 0.00 N ATOM 159 CA ASN A 10 2.226 5.470 -21.131 1.00 0.00 C ATOM 160 C ASN A 10 3.232 6.338 -21.881 1.00 0.00 C ATOM 161 O ASN A 10 2.911 7.443 -22.317 1.00 0.00 O ATOM 162 CB ASN A 10 0.983 5.249 -21.994 1.00 0.00 C ATOM 163 CG ASN A 10 0.011 6.411 -21.917 1.00 0.00 C ATOM 164 OD1 ASN A 10 0.283 7.497 -22.432 1.00 0.00 O ATOM 165 ND2 ASN A 10 -1.128 6.189 -21.273 1.00 0.00 N ATOM 0 H ASN A 10 2.308 6.979 -19.677 1.00 0.00 H new ATOM 0 HA ASN A 10 2.690 4.506 -20.921 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.286 5.100 -23.031 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.480 4.336 -21.675 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.820 6.934 -21.189 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.311 5.274 -20.862 1.00 0.00 H new ATOM 172 N TYR A 11 4.451 5.828 -22.027 1.00 0.00 N ATOM 173 CA TYR A 11 5.505 6.557 -22.723 1.00 0.00 C ATOM 174 C TYR A 11 6.078 5.725 -23.866 1.00 0.00 C ATOM 175 O TYR A 11 5.959 4.500 -23.898 1.00 0.00 O ATOM 176 CB TYR A 11 6.619 6.939 -21.747 1.00 0.00 C ATOM 177 CG TYR A 11 6.672 8.417 -21.437 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.509 9.143 -21.212 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.887 9.089 -21.368 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.553 10.494 -20.929 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.940 10.441 -21.084 1.00 0.00 C ATOM 182 CZ TYR A 11 6.771 11.138 -20.866 1.00 0.00 C ATOM 183 OH TYR A 11 6.819 12.484 -20.584 1.00 0.00 O ATOM 0 H TYR A 11 4.733 4.914 -21.673 1.00 0.00 H new ATOM 0 HA TYR A 11 5.070 7.465 -23.141 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.482 6.386 -20.818 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.577 6.629 -22.164 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.553 8.642 -21.259 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.805 8.546 -21.539 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.639 11.043 -20.758 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.892 10.948 -21.033 1.00 0.00 H new ATOM 0 HH TYR A 11 6.293 12.668 -19.778 1.00 0.00 H new ATOM 193 N PRO A 12 6.716 6.407 -24.830 1.00 0.00 N ATOM 194 CA PRO A 12 7.322 5.753 -25.993 1.00 0.00 C ATOM 195 C PRO A 12 8.553 4.933 -25.622 1.00 0.00 C ATOM 196 O PRO A 12 9.472 5.434 -24.974 1.00 0.00 O ATOM 197 CB PRO A 12 7.713 6.926 -26.896 1.00 0.00 C ATOM 198 CG PRO A 12 7.888 8.077 -25.967 1.00 0.00 C ATOM 199 CD PRO A 12 6.895 7.868 -24.857 1.00 0.00 C ATOM 0 HA PRO A 12 6.640 5.044 -26.463 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.632 6.715 -27.443 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.940 7.130 -27.637 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.906 8.114 -25.578 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.708 9.022 -26.479 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.271 8.244 -23.906 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.956 8.384 -25.056 1.00 0.00 H new ATOM 207 N VAL A 13 8.564 3.670 -26.036 1.00 0.00 N ATOM 208 CA VAL A 13 9.684 2.781 -25.748 1.00 0.00 C ATOM 209 C VAL A 13 10.939 3.220 -26.493 1.00 0.00 C ATOM 210 O VAL A 13 12.058 2.935 -26.066 1.00 0.00 O ATOM 211 CB VAL A 13 9.356 1.325 -26.129 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.582 0.441 -25.962 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.195 0.805 -25.295 1.00 0.00 C ATOM 0 H VAL A 13 7.810 3.239 -26.572 1.00 0.00 H new ATOM 0 HA VAL A 13 9.865 2.836 -24.675 1.00 0.00 H new ATOM 0 HB VAL A 13 9.060 1.299 -27.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.332 -0.584 -26.236 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.383 0.803 -26.607 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.912 0.469 -24.924 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.977 -0.225 -25.577 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.460 0.843 -24.238 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.315 1.424 -25.471 1.00 0.00 H new ATOM 223 N SER A 14 10.746 3.916 -27.609 1.00 0.00 N ATOM 224 CA SER A 14 11.864 4.392 -28.416 1.00 0.00 C ATOM 225 C SER A 14 12.715 5.386 -27.632 1.00 0.00 C ATOM 226 O SER A 14 13.930 5.226 -27.517 1.00 0.00 O ATOM 227 CB SER A 14 11.351 5.044 -29.701 1.00 0.00 C ATOM 228 OG SER A 14 12.238 4.810 -30.781 1.00 0.00 O ATOM 0 H SER A 14 9.826 4.163 -27.975 1.00 0.00 H new ATOM 0 HA SER A 14 12.485 3.534 -28.675 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.365 4.649 -29.944 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.236 6.117 -29.547 1.00 0.00 H new ATOM 0 HG SER A 14 11.887 5.235 -31.591 1.00 0.00 H new ATOM 234 N LYS A 15 12.067 6.415 -27.096 1.00 0.00 N ATOM 235 CA LYS A 15 12.762 7.437 -26.321 1.00 0.00 C ATOM 236 C LYS A 15 13.280 6.864 -25.006 1.00 0.00 C ATOM 237 O LYS A 15 14.248 7.368 -24.436 1.00 0.00 O ATOM 238 CB LYS A 15 11.829 8.618 -26.044 1.00 0.00 C ATOM 239 CG LYS A 15 11.636 9.535 -27.239 1.00 0.00 C ATOM 240 CD LYS A 15 10.863 10.787 -26.862 1.00 0.00 C ATOM 241 CE LYS A 15 11.068 11.897 -27.882 1.00 0.00 C ATOM 242 NZ LYS A 15 10.697 13.231 -27.333 1.00 0.00 N ATOM 0 H LYS A 15 11.062 6.563 -27.184 1.00 0.00 H new ATOM 0 HA LYS A 15 13.614 7.785 -26.905 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.858 8.237 -25.729 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.229 9.198 -25.212 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.608 9.815 -27.645 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.104 9.001 -28.026 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.801 10.552 -26.787 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.183 11.131 -25.879 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.111 11.912 -28.198 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.469 11.690 -28.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.851 13.960 -28.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.695 13.225 -27.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.286 13.440 -26.502 1.00 0.00 H new ATOM 256 N CYS A 16 12.630 5.808 -24.529 1.00 0.00 N ATOM 257 CA CYS A 16 13.025 5.166 -23.281 1.00 0.00 C ATOM 258 C CYS A 16 14.447 4.620 -23.377 1.00 0.00 C ATOM 259 O CYS A 16 15.124 4.446 -22.364 1.00 0.00 O ATOM 260 CB CYS A 16 12.055 4.034 -22.937 1.00 0.00 C ATOM 261 SG CYS A 16 11.390 4.115 -21.243 1.00 0.00 S ATOM 0 H CYS A 16 11.827 5.378 -24.988 1.00 0.00 H new ATOM 0 HA CYS A 16 12.995 5.915 -22.490 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.225 4.054 -23.643 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.565 3.080 -23.071 1.00 0.00 H new ATOM 266 N GLN A 17 14.892 4.353 -24.600 1.00 0.00 N ATOM 267 CA GLN A 17 16.232 3.827 -24.828 1.00 0.00 C ATOM 268 C GLN A 17 17.288 4.748 -24.224 1.00 0.00 C ATOM 269 O GLN A 17 18.402 4.318 -23.920 1.00 0.00 O ATOM 270 CB GLN A 17 16.488 3.653 -26.326 1.00 0.00 C ATOM 271 CG GLN A 17 16.016 2.315 -26.871 1.00 0.00 C ATOM 272 CD GLN A 17 16.701 1.940 -28.171 1.00 0.00 C ATOM 273 OE1 GLN A 17 17.849 1.495 -28.174 1.00 0.00 O ATOM 274 NE2 GLN A 17 15.999 2.118 -29.283 1.00 0.00 N ATOM 0 H GLN A 17 14.344 4.492 -25.449 1.00 0.00 H new ATOM 0 HA GLN A 17 16.301 2.855 -24.340 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.986 4.454 -26.868 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.556 3.758 -26.519 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.203 1.539 -26.129 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.938 2.351 -27.030 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.050 2.490 -29.233 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.408 1.883 -30.187 1.00 0.00 H new ATOM 283 N LEU A 18 16.931 6.016 -24.053 1.00 0.00 N ATOM 284 CA LEU A 18 17.848 6.999 -23.485 1.00 0.00 C ATOM 285 C LEU A 18 17.482 7.312 -22.038 1.00 0.00 C ATOM 286 O LEU A 18 16.332 7.625 -21.731 1.00 0.00 O ATOM 287 CB LEU A 18 17.830 8.283 -24.317 1.00 0.00 C ATOM 288 CG LEU A 18 18.121 8.120 -25.809 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.117 9.472 -26.505 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.453 7.414 -26.018 1.00 0.00 C ATOM 0 H LEU A 18 16.014 6.388 -24.299 1.00 0.00 H new ATOM 0 HA LEU A 18 18.852 6.576 -23.503 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.851 8.750 -24.207 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.561 8.974 -23.898 1.00 0.00 H new ATOM 0 HG LEU A 18 17.334 7.507 -26.248 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.326 9.336 -27.566 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.140 9.940 -26.385 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.882 10.111 -26.064 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.644 7.306 -27.086 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.251 8.001 -25.564 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.419 6.428 -25.554 1.00 0.00 H new ATOM 302 N ALA A 19 18.470 7.228 -21.152 1.00 0.00 N ATOM 303 CA ALA A 19 18.253 7.507 -19.738 1.00 0.00 C ATOM 304 C ALA A 19 17.951 8.984 -19.509 1.00 0.00 C ATOM 305 O ALA A 19 16.989 9.332 -18.827 1.00 0.00 O ATOM 306 CB ALA A 19 19.467 7.082 -18.925 1.00 0.00 C ATOM 0 H ALA A 19 19.428 6.969 -21.389 1.00 0.00 H new ATOM 0 HA ALA A 19 17.388 6.932 -19.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.292 7.296 -17.871 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.636 6.013 -19.055 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.344 7.632 -19.266 1.00 0.00 H new ATOM 312 N ASN A 20 18.781 9.849 -20.084 1.00 0.00 N ATOM 313 CA ASN A 20 18.603 11.289 -19.942 1.00 0.00 C ATOM 314 C ASN A 20 17.210 11.713 -20.397 1.00 0.00 C ATOM 315 O ASN A 20 16.715 12.771 -20.010 1.00 0.00 O ATOM 316 CB ASN A 20 19.665 12.038 -20.750 1.00 0.00 C ATOM 317 CG ASN A 20 19.845 11.462 -22.141 1.00 0.00 C ATOM 318 OD1 ASN A 20 19.239 11.935 -23.103 1.00 0.00 O ATOM 319 ND2 ASN A 20 20.680 10.436 -22.254 1.00 0.00 N ATOM 0 H ASN A 20 19.583 9.577 -20.652 1.00 0.00 H new ATOM 0 HA ASN A 20 18.714 11.541 -18.887 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.385 13.088 -20.828 1.00 0.00 H new ATOM 0 HB3 ASN A 20 20.616 12.001 -20.218 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.841 10.007 -23.165 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.161 10.077 -21.429 1.00 0.00 H new ATOM 326 N GLN A 21 16.583 10.878 -21.220 1.00 0.00 N ATOM 327 CA GLN A 21 15.246 11.166 -21.727 1.00 0.00 C ATOM 328 C GLN A 21 14.192 10.924 -20.652 1.00 0.00 C ATOM 329 O GLN A 21 13.489 11.846 -20.238 1.00 0.00 O ATOM 330 CB GLN A 21 14.948 10.305 -22.955 1.00 0.00 C ATOM 331 CG GLN A 21 15.251 10.999 -24.273 1.00 0.00 C ATOM 332 CD GLN A 21 14.042 11.705 -24.853 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.547 11.340 -25.920 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.558 12.724 -24.152 1.00 0.00 N ATOM 0 H GLN A 21 16.979 9.998 -21.550 1.00 0.00 H new ATOM 0 HA GLN A 21 15.211 12.217 -22.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.532 9.387 -22.895 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.897 10.016 -22.939 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.052 11.723 -24.122 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.617 10.264 -24.990 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.999 12.993 -23.272 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.745 13.237 -24.493 1.00 0.00 H new ATOM 343 N CYS A 22 14.086 9.677 -20.205 1.00 0.00 N ATOM 344 CA CYS A 22 13.117 9.311 -19.180 1.00 0.00 C ATOM 345 C CYS A 22 13.210 10.253 -17.983 1.00 0.00 C ATOM 346 O CYS A 22 12.195 10.706 -17.455 1.00 0.00 O ATOM 347 CB CYS A 22 13.343 7.868 -18.726 1.00 0.00 C ATOM 348 SG CYS A 22 11.832 7.019 -18.164 1.00 0.00 S ATOM 0 H CYS A 22 14.660 8.902 -20.537 1.00 0.00 H new ATOM 0 HA CYS A 22 12.120 9.397 -19.611 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.779 7.303 -19.550 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.072 7.863 -17.916 1.00 0.00 H new ATOM 353 N ASN A 23 14.436 10.544 -17.560 1.00 0.00 N ATOM 354 CA ASN A 23 14.663 11.431 -16.425 1.00 0.00 C ATOM 355 C ASN A 23 14.207 12.852 -16.746 1.00 0.00 C ATOM 356 O ASN A 23 13.389 13.429 -16.030 1.00 0.00 O ATOM 357 CB ASN A 23 16.144 11.434 -16.041 1.00 0.00 C ATOM 358 CG ASN A 23 16.378 11.972 -14.642 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.265 11.242 -13.657 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.705 13.255 -14.549 1.00 0.00 N ATOM 0 H ASN A 23 15.287 10.178 -17.986 1.00 0.00 H new ATOM 0 HA ASN A 23 14.077 11.061 -15.584 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.536 10.419 -16.107 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.701 12.038 -16.757 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.874 13.673 -13.634 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.787 13.823 -15.392 1.00 0.00 H new ATOM 367 N TYR A 24 14.743 13.409 -17.827 1.00 0.00 N ATOM 368 CA TYR A 24 14.393 14.762 -18.242 1.00 0.00 C ATOM 369 C TYR A 24 12.881 14.916 -18.377 1.00 0.00 C ATOM 370 O TYR A 24 12.297 15.878 -17.878 1.00 0.00 O ATOM 371 CB TYR A 24 15.072 15.102 -19.569 1.00 0.00 C ATOM 372 CG TYR A 24 14.789 16.507 -20.052 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.167 17.611 -19.298 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.144 16.730 -21.262 1.00 0.00 C ATOM 375 CE1 TYR A 24 14.910 18.896 -19.735 1.00 0.00 C ATOM 376 CE2 TYR A 24 13.884 18.011 -21.708 1.00 0.00 C ATOM 377 CZ TYR A 24 14.268 19.091 -20.940 1.00 0.00 C ATOM 378 OH TYR A 24 14.011 20.369 -21.380 1.00 0.00 O ATOM 0 H TYR A 24 15.421 12.944 -18.431 1.00 0.00 H new ATOM 0 HA TYR A 24 14.743 15.453 -17.475 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.149 14.975 -19.459 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.743 14.393 -20.328 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.670 17.462 -18.354 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.840 15.887 -21.865 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.210 19.743 -19.136 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.383 18.166 -22.652 1.00 0.00 H new ATOM 0 HH TYR A 24 13.554 20.331 -22.246 1.00 0.00 H new ATOM 388 N ASP A 25 12.254 13.962 -19.056 1.00 0.00 N ATOM 389 CA ASP A 25 10.810 13.989 -19.257 1.00 0.00 C ATOM 390 C ASP A 25 10.073 13.815 -17.932 1.00 0.00 C ATOM 391 O ASP A 25 9.192 14.605 -17.591 1.00 0.00 O ATOM 392 CB ASP A 25 10.388 12.893 -20.236 1.00 0.00 C ATOM 393 CG ASP A 25 9.373 13.381 -21.250 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.645 14.348 -20.943 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.307 12.797 -22.352 1.00 0.00 O ATOM 0 H ASP A 25 12.723 13.160 -19.477 1.00 0.00 H new ATOM 0 HA ASP A 25 10.545 14.960 -19.675 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.268 12.519 -20.759 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.967 12.055 -19.680 1.00 0.00 H new ATOM 400 N CYS A 26 10.440 12.776 -17.189 1.00 0.00 N ATOM 401 CA CYS A 26 9.814 12.497 -15.902 1.00 0.00 C ATOM 402 C CYS A 26 9.894 13.712 -14.983 1.00 0.00 C ATOM 403 O CYS A 26 8.916 14.077 -14.331 1.00 0.00 O ATOM 404 CB CYS A 26 10.485 11.294 -15.236 1.00 0.00 C ATOM 405 SG CYS A 26 9.975 11.021 -13.509 1.00 0.00 S ATOM 0 H CYS A 26 11.168 12.113 -17.456 1.00 0.00 H new ATOM 0 HA CYS A 26 8.763 12.267 -16.079 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.260 10.399 -15.816 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.566 11.431 -15.267 1.00 0.00 H new ATOM 410 N LYS A 27 11.067 14.335 -14.936 1.00 0.00 N ATOM 411 CA LYS A 27 11.277 15.510 -14.099 1.00 0.00 C ATOM 412 C LYS A 27 10.686 16.756 -14.752 1.00 0.00 C ATOM 413 O LYS A 27 10.736 17.849 -14.186 1.00 0.00 O ATOM 414 CB LYS A 27 12.771 15.717 -13.840 1.00 0.00 C ATOM 415 CG LYS A 27 13.063 16.633 -12.664 1.00 0.00 C ATOM 416 CD LYS A 27 14.132 17.656 -13.006 1.00 0.00 C ATOM 417 CE LYS A 27 13.519 18.966 -13.477 1.00 0.00 C ATOM 418 NZ LYS A 27 14.361 20.138 -13.107 1.00 0.00 N ATOM 0 H LYS A 27 11.887 14.045 -15.468 1.00 0.00 H new ATOM 0 HA LYS A 27 10.769 15.344 -13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.238 14.749 -13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.233 16.132 -14.736 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.149 17.146 -12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.387 16.038 -11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.756 17.839 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.783 17.257 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.391 18.938 -14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.527 19.080 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.909 21.011 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.463 20.180 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.300 20.043 -13.544 1.00 0.00 H new ATOM 432 N LEU A 28 10.126 16.584 -15.944 1.00 0.00 N ATOM 433 CA LEU A 28 9.523 17.695 -16.673 1.00 0.00 C ATOM 434 C LEU A 28 8.004 17.675 -16.538 1.00 0.00 C ATOM 435 O LEU A 28 7.391 18.676 -16.166 1.00 0.00 O ATOM 436 CB LEU A 28 9.916 17.634 -18.150 1.00 0.00 C ATOM 437 CG LEU A 28 9.297 18.700 -19.054 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.840 20.077 -18.705 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.559 18.376 -20.518 1.00 0.00 C ATOM 0 H LEU A 28 10.077 15.687 -16.426 1.00 0.00 H new ATOM 0 HA LEU A 28 9.895 18.625 -16.242 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.001 17.712 -18.220 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.641 16.653 -18.538 1.00 0.00 H new ATOM 0 HG LEU A 28 8.219 18.705 -18.891 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.388 20.823 -19.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.600 20.311 -17.668 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.922 20.086 -18.838 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.111 19.146 -21.147 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.634 18.342 -20.696 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.120 17.408 -20.761 1.00 0.00 H new ATOM 451 N ASP A 29 7.404 16.529 -16.840 1.00 0.00 N ATOM 452 CA ASP A 29 5.956 16.377 -16.749 1.00 0.00 C ATOM 453 C ASP A 29 5.538 15.989 -15.334 1.00 0.00 C ATOM 454 O ASP A 29 4.626 16.583 -14.759 1.00 0.00 O ATOM 455 CB ASP A 29 5.469 15.324 -17.745 1.00 0.00 C ATOM 456 CG ASP A 29 5.082 15.926 -19.082 1.00 0.00 C ATOM 457 OD1 ASP A 29 4.353 16.940 -19.088 1.00 0.00 O ATOM 458 OD2 ASP A 29 5.511 15.384 -20.122 1.00 0.00 O ATOM 0 H ASP A 29 7.897 15.692 -17.150 1.00 0.00 H new ATOM 0 HA ASP A 29 5.499 17.336 -16.993 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.253 14.582 -17.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.611 14.799 -17.324 1.00 0.00 H new ATOM 463 N LYS A 30 6.211 14.987 -14.778 1.00 0.00 N ATOM 464 CA LYS A 30 5.911 14.519 -13.430 1.00 0.00 C ATOM 465 C LYS A 30 6.675 15.330 -12.389 1.00 0.00 C ATOM 466 O LYS A 30 6.336 15.316 -11.205 1.00 0.00 O ATOM 467 CB LYS A 30 6.262 13.035 -13.294 1.00 0.00 C ATOM 468 CG LYS A 30 5.730 12.177 -14.429 1.00 0.00 C ATOM 469 CD LYS A 30 4.803 11.088 -13.916 1.00 0.00 C ATOM 470 CE LYS A 30 3.757 10.712 -14.954 1.00 0.00 C ATOM 471 NZ LYS A 30 2.463 10.328 -14.325 1.00 0.00 N ATOM 0 H LYS A 30 6.968 14.483 -15.240 1.00 0.00 H new ATOM 0 HA LYS A 30 4.843 14.652 -13.256 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.346 12.930 -13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.865 12.661 -12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.196 12.805 -15.142 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.564 11.724 -14.966 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.387 10.207 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.308 11.428 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.597 11.553 -15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.127 9.884 -15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.777 10.079 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.610 9.510 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.097 11.127 -13.769 1.00 0.00 H new ATOM 485 N HIS A 31 7.707 16.038 -12.838 1.00 0.00 N ATOM 486 CA HIS A 31 8.518 16.858 -11.945 1.00 0.00 C ATOM 487 C HIS A 31 9.111 16.014 -10.821 1.00 0.00 C ATOM 488 O HIS A 31 9.386 16.517 -9.732 1.00 0.00 O ATOM 489 CB HIS A 31 7.678 17.993 -11.357 1.00 0.00 C ATOM 490 CG HIS A 31 8.286 19.348 -11.547 1.00 0.00 C ATOM 491 ND1 HIS A 31 7.537 20.500 -11.660 1.00 0.00 N ATOM 492 CD2 HIS A 31 9.581 19.733 -11.641 1.00 0.00 C ATOM 493 CE1 HIS A 31 8.344 21.534 -11.818 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.589 21.096 -11.810 1.00 0.00 N ATOM 0 H HIS A 31 8.001 16.060 -13.814 1.00 0.00 H new ATOM 0 HA HIS A 31 9.336 17.284 -12.526 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.690 17.979 -11.818 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.535 17.814 -10.291 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.446 19.088 -11.592 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.037 22.563 -11.934 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.422 21.676 -11.913 1.00 0.00 H new ATOM 502 N ALA A 32 9.306 14.728 -11.093 1.00 0.00 N ATOM 503 CA ALA A 32 9.867 13.814 -10.106 1.00 0.00 C ATOM 504 C ALA A 32 11.374 14.006 -9.975 1.00 0.00 C ATOM 505 O ALA A 32 12.034 14.464 -10.908 1.00 0.00 O ATOM 506 CB ALA A 32 9.547 12.374 -10.477 1.00 0.00 C ATOM 0 H ALA A 32 9.084 14.295 -11.990 1.00 0.00 H new ATOM 0 HA ALA A 32 9.413 14.038 -9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.972 11.703 -9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.466 12.239 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.973 12.147 -11.454 1.00 0.00 H new ATOM 512 N ARG A 33 11.912 13.654 -8.812 1.00 0.00 N ATOM 513 CA ARG A 33 13.342 13.789 -8.559 1.00 0.00 C ATOM 514 C ARG A 33 14.155 13.160 -9.687 1.00 0.00 C ATOM 515 O ARG A 33 15.115 13.753 -10.179 1.00 0.00 O ATOM 516 CB ARG A 33 13.710 13.137 -7.225 1.00 0.00 C ATOM 517 CG ARG A 33 13.417 14.013 -6.018 1.00 0.00 C ATOM 518 CD ARG A 33 14.370 13.717 -4.871 1.00 0.00 C ATOM 519 NE ARG A 33 13.669 13.596 -3.595 1.00 0.00 N ATOM 520 CZ ARG A 33 13.081 14.616 -2.980 1.00 0.00 C ATOM 521 NH1 ARG A 33 13.108 15.826 -3.521 1.00 0.00 N ATOM 522 NH2 ARG A 33 12.463 14.427 -1.821 1.00 0.00 N ATOM 0 H ARG A 33 11.379 13.273 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 33 13.579 14.852 -8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.162 12.200 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.771 12.887 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.500 15.063 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.390 13.851 -5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.910 12.793 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.113 14.512 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 33 13.629 12.678 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.581 15.976 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.655 16.607 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.439 13.498 -1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.012 15.211 -1.350 1.00 0.00 H new ATOM 536 N SER A 34 13.765 11.955 -10.089 1.00 0.00 N ATOM 537 CA SER A 34 14.461 11.243 -11.155 1.00 0.00 C ATOM 538 C SER A 34 13.493 10.364 -11.943 1.00 0.00 C ATOM 539 O SER A 34 12.291 10.355 -11.681 1.00 0.00 O ATOM 540 CB SER A 34 15.588 10.387 -10.575 1.00 0.00 C ATOM 541 OG SER A 34 15.736 10.613 -9.184 1.00 0.00 O ATOM 0 H SER A 34 12.971 11.451 -9.693 1.00 0.00 H new ATOM 0 HA SER A 34 14.888 11.982 -11.833 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.378 9.333 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.523 10.617 -11.086 1.00 0.00 H new ATOM 0 HG SER A 34 16.462 10.053 -8.837 1.00 0.00 H new ATOM 547 N GLY A 35 14.028 9.626 -12.911 1.00 0.00 N ATOM 548 CA GLY A 35 13.199 8.754 -13.722 1.00 0.00 C ATOM 549 C GLY A 35 14.018 7.805 -14.575 1.00 0.00 C ATOM 550 O GLY A 35 14.872 8.237 -15.348 1.00 0.00 O ATOM 0 H GLY A 35 15.020 9.617 -13.148 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.540 8.178 -13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.562 9.360 -14.367 1.00 0.00 H new ATOM 554 N GLU A 36 13.757 6.509 -14.434 1.00 0.00 N ATOM 555 CA GLU A 36 14.479 5.498 -15.196 1.00 0.00 C ATOM 556 C GLU A 36 13.514 4.636 -16.006 1.00 0.00 C ATOM 557 O GLU A 36 12.296 4.736 -15.854 1.00 0.00 O ATOM 558 CB GLU A 36 15.306 4.615 -14.260 1.00 0.00 C ATOM 559 CG GLU A 36 16.693 5.164 -13.973 1.00 0.00 C ATOM 560 CD GLU A 36 16.720 6.079 -12.763 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.635 6.367 -12.214 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.823 6.507 -12.367 1.00 0.00 O ATOM 0 H GLU A 36 13.051 6.135 -13.799 1.00 0.00 H new ATOM 0 HA GLU A 36 15.149 6.010 -15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.770 4.496 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.401 3.623 -14.700 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.382 4.335 -13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.051 5.711 -14.845 1.00 0.00 H new ATOM 569 N CYS A 37 14.067 3.788 -16.867 1.00 0.00 N ATOM 570 CA CYS A 37 13.258 2.909 -17.702 1.00 0.00 C ATOM 571 C CYS A 37 13.409 1.454 -17.265 1.00 0.00 C ATOM 572 O CYS A 37 14.502 1.009 -16.915 1.00 0.00 O ATOM 573 CB CYS A 37 13.659 3.055 -19.171 1.00 0.00 C ATOM 574 SG CYS A 37 12.904 4.486 -20.009 1.00 0.00 S ATOM 0 H CYS A 37 15.073 3.691 -17.004 1.00 0.00 H new ATOM 0 HA CYS A 37 12.214 3.199 -17.587 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.744 3.142 -19.234 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.380 2.146 -19.705 1.00 0.00 H new ATOM 579 N PHE A 38 12.302 0.718 -17.288 1.00 0.00 N ATOM 580 CA PHE A 38 12.310 -0.686 -16.894 1.00 0.00 C ATOM 581 C PHE A 38 12.030 -1.589 -18.092 1.00 0.00 C ATOM 582 O PHE A 38 11.513 -1.139 -19.114 1.00 0.00 O ATOM 583 CB PHE A 38 11.271 -0.936 -15.799 1.00 0.00 C ATOM 584 CG PHE A 38 11.793 -0.696 -14.411 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.506 0.454 -14.113 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.571 -1.622 -13.404 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.988 0.677 -12.837 1.00 0.00 C ATOM 588 CE2 PHE A 38 12.049 -1.403 -12.126 1.00 0.00 C ATOM 589 CZ PHE A 38 12.760 -0.253 -11.842 1.00 0.00 C ATOM 0 H PHE A 38 11.389 1.071 -17.575 1.00 0.00 H new ATOM 0 HA PHE A 38 13.301 -0.923 -16.506 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.410 -0.290 -15.972 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.917 -1.964 -15.873 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.687 1.185 -14.887 1.00 0.00 H new ATOM 0 HD2 PHE A 38 11.019 -2.524 -13.620 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.542 1.578 -12.618 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.867 -2.131 -11.349 1.00 0.00 H new ATOM 0 HZ PHE A 38 13.137 -0.082 -10.844 1.00 0.00 H new ATOM 599 N TYR A 39 12.377 -2.864 -17.957 1.00 0.00 N ATOM 600 CA TYR A 39 12.166 -3.830 -19.028 1.00 0.00 C ATOM 601 C TYR A 39 10.963 -4.720 -18.731 1.00 0.00 C ATOM 602 O TYR A 39 11.088 -5.756 -18.077 1.00 0.00 O ATOM 603 CB TYR A 39 13.416 -4.691 -19.220 1.00 0.00 C ATOM 604 CG TYR A 39 14.112 -4.462 -20.543 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.397 -4.452 -21.734 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.485 -4.255 -20.601 1.00 0.00 C ATOM 607 CE1 TYR A 39 14.029 -4.244 -22.945 1.00 0.00 C ATOM 608 CE2 TYR A 39 16.125 -4.044 -21.807 1.00 0.00 C ATOM 609 CZ TYR A 39 15.393 -4.040 -22.976 1.00 0.00 C ATOM 610 OH TYR A 39 16.025 -3.831 -24.180 1.00 0.00 O ATOM 0 H TYR A 39 12.805 -3.252 -17.117 1.00 0.00 H new ATOM 0 HA TYR A 39 11.968 -3.278 -19.947 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.116 -4.486 -18.410 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.138 -5.742 -19.142 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.329 -4.610 -21.713 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.061 -4.259 -19.688 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.458 -4.241 -23.862 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.193 -3.883 -21.834 1.00 0.00 H new ATOM 0 HH TYR A 39 16.985 -3.703 -24.028 1.00 0.00 H new ATOM 620 N LYS A 40 9.797 -4.308 -19.216 1.00 0.00 N ATOM 621 CA LYS A 40 8.569 -5.066 -19.006 1.00 0.00 C ATOM 622 C LYS A 40 8.296 -5.997 -20.184 1.00 0.00 C ATOM 623 O LYS A 40 9.002 -5.961 -21.191 1.00 0.00 O ATOM 624 CB LYS A 40 7.386 -4.116 -18.808 1.00 0.00 C ATOM 625 CG LYS A 40 6.573 -4.410 -17.559 1.00 0.00 C ATOM 626 CD LYS A 40 5.220 -5.012 -17.904 1.00 0.00 C ATOM 627 CE LYS A 40 4.211 -4.789 -16.788 1.00 0.00 C ATOM 628 NZ LYS A 40 4.603 -5.495 -15.537 1.00 0.00 N ATOM 0 H LYS A 40 9.676 -3.452 -19.758 1.00 0.00 H new ATOM 0 HA LYS A 40 8.694 -5.672 -18.108 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.757 -3.092 -18.757 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.733 -4.176 -19.679 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.125 -5.097 -16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.429 -3.490 -16.992 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.847 -4.568 -18.827 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.332 -6.081 -18.087 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.120 -3.721 -16.589 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.230 -5.138 -17.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.857 -5.374 -14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.732 -6.508 -15.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.494 -5.097 -15.178 1.00 0.00 H new ATOM 642 N GLU A 41 7.266 -6.827 -20.050 1.00 0.00 N ATOM 643 CA GLU A 41 6.900 -7.765 -21.104 1.00 0.00 C ATOM 644 C GLU A 41 8.121 -8.546 -21.585 1.00 0.00 C ATOM 645 O GLU A 41 9.155 -8.578 -20.918 1.00 0.00 O ATOM 646 CB GLU A 41 6.260 -7.023 -22.279 1.00 0.00 C ATOM 647 CG GLU A 41 5.026 -7.712 -22.835 1.00 0.00 C ATOM 648 CD GLU A 41 4.965 -7.669 -24.349 1.00 0.00 C ATOM 649 OE1 GLU A 41 5.962 -8.059 -24.993 1.00 0.00 O ATOM 650 OE2 GLU A 41 3.922 -7.246 -24.890 1.00 0.00 O ATOM 0 H GLU A 41 6.671 -6.869 -19.223 1.00 0.00 H new ATOM 0 HA GLU A 41 6.178 -8.470 -20.693 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.990 -6.017 -21.959 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.997 -6.917 -23.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.015 -8.751 -22.504 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.134 -7.237 -22.426 1.00 0.00 H new ATOM 657 N LYS A 42 7.992 -9.175 -22.749 1.00 0.00 N ATOM 658 CA LYS A 42 9.082 -9.955 -23.322 1.00 0.00 C ATOM 659 C LYS A 42 10.106 -9.046 -23.996 1.00 0.00 C ATOM 660 O LYS A 42 11.311 -9.199 -23.797 1.00 0.00 O ATOM 661 CB LYS A 42 8.537 -10.965 -24.333 1.00 0.00 C ATOM 662 CG LYS A 42 8.717 -12.412 -23.906 1.00 0.00 C ATOM 663 CD LYS A 42 10.000 -13.003 -24.467 1.00 0.00 C ATOM 664 CE LYS A 42 10.466 -14.199 -23.650 1.00 0.00 C ATOM 665 NZ LYS A 42 11.778 -14.718 -24.126 1.00 0.00 N ATOM 0 H LYS A 42 7.143 -9.159 -23.314 1.00 0.00 H new ATOM 0 HA LYS A 42 9.576 -10.492 -22.512 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.476 -10.771 -24.492 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.035 -10.813 -25.290 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.733 -12.472 -22.818 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.865 -13.001 -24.245 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.840 -13.308 -25.501 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.779 -12.241 -24.476 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.547 -13.913 -22.601 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.720 -14.991 -23.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.061 -15.532 -23.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.694 -15.015 -25.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.496 -13.970 -24.047 1.00 0.00 H new ATOM 679 N ARG A 43 9.617 -8.101 -24.792 1.00 0.00 N ATOM 680 CA ARG A 43 10.490 -7.168 -25.494 1.00 0.00 C ATOM 681 C ARG A 43 10.100 -5.724 -25.189 1.00 0.00 C ATOM 682 O ARG A 43 10.954 -4.842 -25.119 1.00 0.00 O ATOM 683 CB ARG A 43 10.428 -7.416 -27.003 1.00 0.00 C ATOM 684 CG ARG A 43 10.872 -8.812 -27.409 1.00 0.00 C ATOM 685 CD ARG A 43 11.366 -8.843 -28.847 1.00 0.00 C ATOM 686 NE ARG A 43 11.383 -10.199 -29.390 1.00 0.00 N ATOM 687 CZ ARG A 43 12.286 -11.113 -29.055 1.00 0.00 C ATOM 688 NH1 ARG A 43 13.240 -10.819 -28.182 1.00 0.00 N ATOM 689 NH2 ARG A 43 12.236 -12.325 -29.592 1.00 0.00 N ATOM 0 H ARG A 43 8.622 -7.961 -24.967 1.00 0.00 H new ATOM 0 HA ARG A 43 11.510 -7.332 -25.147 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.407 -7.254 -27.348 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.055 -6.683 -27.509 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.666 -9.151 -26.743 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.041 -9.507 -27.294 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.725 -8.213 -29.464 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.370 -8.421 -28.895 1.00 0.00 H new ATOM 0 HE ARG A 43 10.662 -10.458 -30.063 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.281 -9.889 -27.766 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.932 -11.523 -27.927 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.503 -12.556 -30.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.930 -13.026 -29.334 1.00 0.00 H new ATOM 703 N ASN A 44 8.804 -5.492 -25.010 1.00 0.00 N ATOM 704 CA ASN A 44 8.300 -4.156 -24.713 1.00 0.00 C ATOM 705 C ASN A 44 9.098 -3.512 -23.583 1.00 0.00 C ATOM 706 O ASN A 44 9.800 -4.196 -22.836 1.00 0.00 O ATOM 707 CB ASN A 44 6.819 -4.218 -24.337 1.00 0.00 C ATOM 708 CG ASN A 44 6.159 -2.852 -24.357 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.159 -2.166 -25.379 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.593 -2.452 -23.225 1.00 0.00 N ATOM 0 H ASN A 44 8.083 -6.212 -25.065 1.00 0.00 H new ATOM 0 HA ASN A 44 8.414 -3.545 -25.608 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.299 -4.880 -25.029 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.717 -4.653 -23.343 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.134 -1.542 -23.178 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.617 -3.054 -22.402 1.00 0.00 H new ATOM 717 N LEU A 45 8.984 -2.194 -23.462 1.00 0.00 N ATOM 718 CA LEU A 45 9.694 -1.457 -22.422 1.00 0.00 C ATOM 719 C LEU A 45 8.772 -0.448 -21.744 1.00 0.00 C ATOM 720 O LEU A 45 7.776 -0.017 -22.325 1.00 0.00 O ATOM 721 CB LEU A 45 10.907 -0.739 -23.015 1.00 0.00 C ATOM 722 CG LEU A 45 12.078 -0.499 -22.062 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.398 -0.550 -22.814 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.919 0.835 -21.347 1.00 0.00 C ATOM 0 H LEU A 45 8.407 -1.614 -24.071 1.00 0.00 H new ATOM 0 HA LEU A 45 10.034 -2.172 -21.673 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.269 -1.320 -23.864 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.579 0.225 -23.405 1.00 0.00 H new ATOM 0 HG LEU A 45 12.080 -1.291 -21.313 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.220 -0.377 -22.119 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.515 -1.530 -23.278 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.407 0.220 -23.586 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.761 0.989 -20.673 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.890 1.640 -22.081 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.992 0.833 -20.774 1.00 0.00 H new ATOM 736 N GLN A 46 9.113 -0.076 -20.515 1.00 0.00 N ATOM 737 CA GLN A 46 8.316 0.884 -19.760 1.00 0.00 C ATOM 738 C GLN A 46 9.206 1.942 -19.114 1.00 0.00 C ATOM 739 O GLN A 46 10.414 1.750 -18.973 1.00 0.00 O ATOM 740 CB GLN A 46 7.497 0.166 -18.686 1.00 0.00 C ATOM 741 CG GLN A 46 6.045 -0.057 -19.078 1.00 0.00 C ATOM 742 CD GLN A 46 5.329 -1.013 -18.144 1.00 0.00 C ATOM 743 OE1 GLN A 46 5.029 -2.150 -18.511 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.052 -0.557 -16.928 1.00 0.00 N ATOM 0 H GLN A 46 9.935 -0.424 -20.021 1.00 0.00 H new ATOM 0 HA GLN A 46 7.637 1.380 -20.454 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.959 -0.798 -18.472 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.531 0.748 -17.765 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.523 0.900 -19.083 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.003 -0.448 -20.095 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.319 0.392 -16.666 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.572 -1.156 -16.256 1.00 0.00 H new ATOM 753 N CYS A 47 8.601 3.059 -18.725 1.00 0.00 N ATOM 754 CA CYS A 47 9.337 4.148 -18.095 1.00 0.00 C ATOM 755 C CYS A 47 8.768 4.463 -16.714 1.00 0.00 C ATOM 756 O CYS A 47 7.598 4.821 -16.581 1.00 0.00 O ATOM 757 CB CYS A 47 9.291 5.399 -18.975 1.00 0.00 C ATOM 758 SG CYS A 47 10.924 5.961 -19.554 1.00 0.00 S ATOM 0 H CYS A 47 7.602 3.234 -18.835 1.00 0.00 H new ATOM 0 HA CYS A 47 10.374 3.832 -17.978 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.660 5.198 -19.841 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.818 6.206 -18.416 1.00 0.00 H new ATOM 763 N ILE A 48 9.604 4.326 -15.691 1.00 0.00 N ATOM 764 CA ILE A 48 9.185 4.597 -14.321 1.00 0.00 C ATOM 765 C ILE A 48 9.862 5.851 -13.777 1.00 0.00 C ATOM 766 O ILE A 48 11.029 6.116 -14.069 1.00 0.00 O ATOM 767 CB ILE A 48 9.501 3.412 -13.391 1.00 0.00 C ATOM 768 CG1 ILE A 48 9.023 2.101 -14.018 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.855 3.620 -12.029 1.00 0.00 C ATOM 770 CD1 ILE A 48 9.086 0.921 -13.074 1.00 0.00 C ATOM 0 H ILE A 48 10.575 4.029 -15.784 1.00 0.00 H new ATOM 0 HA ILE A 48 8.106 4.751 -14.345 1.00 0.00 H new ATOM 0 HB ILE A 48 10.581 3.355 -13.255 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.996 2.226 -14.363 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.630 1.885 -14.897 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.088 2.774 -11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.239 4.536 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.774 3.700 -12.147 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.732 0.026 -13.586 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.115 0.770 -12.749 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.456 1.115 -12.206 1.00 0.00 H new ATOM 782 N CYS A 49 9.124 6.618 -12.982 1.00 0.00 N ATOM 783 CA CYS A 49 9.652 7.843 -12.395 1.00 0.00 C ATOM 784 C CYS A 49 10.234 7.575 -11.010 1.00 0.00 C ATOM 785 O CYS A 49 10.214 6.444 -10.525 1.00 0.00 O ATOM 786 CB CYS A 49 8.553 8.904 -12.302 1.00 0.00 C ATOM 787 SG CYS A 49 8.357 9.906 -13.811 1.00 0.00 S ATOM 0 H CYS A 49 8.157 6.412 -12.729 1.00 0.00 H new ATOM 0 HA CYS A 49 10.450 8.211 -13.040 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.606 8.412 -12.080 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.772 9.567 -11.465 1.00 0.00 H new ATOM 792 N ASP A 50 10.751 8.624 -10.379 1.00 0.00 N ATOM 793 CA ASP A 50 11.338 8.503 -9.050 1.00 0.00 C ATOM 794 C ASP A 50 11.082 9.762 -8.227 1.00 0.00 C ATOM 795 O ASP A 50 11.267 10.879 -8.709 1.00 0.00 O ATOM 796 CB ASP A 50 12.842 8.244 -9.154 1.00 0.00 C ATOM 797 CG ASP A 50 13.431 7.722 -7.858 1.00 0.00 C ATOM 798 OD1 ASP A 50 13.656 8.536 -6.939 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.667 6.499 -7.764 1.00 0.00 O ATOM 0 H ASP A 50 10.775 9.567 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 50 10.866 7.659 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.029 7.524 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.348 9.168 -9.434 1.00 0.00 H new ATOM 804 N TYR A 51 10.656 9.572 -6.983 1.00 0.00 N ATOM 805 CA TYR A 51 10.371 10.692 -6.094 1.00 0.00 C ATOM 806 C TYR A 51 11.166 10.574 -4.797 1.00 0.00 C ATOM 807 O TYR A 51 10.670 10.901 -3.718 1.00 0.00 O ATOM 808 CB TYR A 51 8.875 10.757 -5.784 1.00 0.00 C ATOM 809 CG TYR A 51 8.042 11.290 -6.928 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.918 12.657 -7.145 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.378 10.427 -7.791 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.158 13.149 -8.188 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.617 10.910 -8.838 1.00 0.00 C ATOM 814 CZ TYR A 51 6.510 12.271 -9.032 1.00 0.00 C ATOM 815 OH TYR A 51 5.751 12.756 -10.073 1.00 0.00 O ATOM 0 H TYR A 51 10.501 8.653 -6.568 1.00 0.00 H new ATOM 0 HA TYR A 51 10.670 11.610 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.523 9.759 -5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.721 11.388 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.425 13.347 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.458 9.361 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.072 14.214 -8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.109 10.225 -9.501 1.00 0.00 H new ATOM 0 HH TYR A 51 6.102 13.626 -10.356 1.00 0.00 H new