USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 250 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 Single : A 1 ALA N :NH3+ -123:sc= 0.109 (180deg=0) USER MOD Single : A 5 TYR OH : rot -15:sc= -0.926 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 131:sc= 0.00891 (180deg=-0.0907) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 55:sc= 0.0238 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.033) USER MOD Single : A 25 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.974 4.946 10.478 1.00 0.00 N ATOM 2 CA ALA A 1 -12.831 4.379 9.112 1.00 0.00 C ATOM 3 C ALA A 1 -12.029 3.083 9.139 1.00 0.00 C ATOM 4 O ALA A 1 -11.611 2.622 10.201 1.00 0.00 O ATOM 5 CB ALA A 1 -12.168 5.390 8.189 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.983 5.059 10.703 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.535 4.304 11.168 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.504 5.873 10.520 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.827 4.153 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.069 4.962 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.779 6.291 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.180 5.642 8.575 1.00 0.00 H new ATOM 13 N VAL A 2 -11.817 2.500 7.964 1.00 0.00 N ATOM 14 CA VAL A 2 -11.063 1.255 7.853 1.00 0.00 C ATOM 15 C VAL A 2 -9.915 1.396 6.865 1.00 0.00 C ATOM 16 O VAL A 2 -9.814 2.389 6.144 1.00 0.00 O ATOM 17 CB VAL A 2 -11.955 0.075 7.414 1.00 0.00 C ATOM 18 CG1 VAL A 2 -11.466 -1.222 8.041 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.414 0.327 7.770 1.00 0.00 C ATOM 0 H VAL A 2 -12.156 2.869 7.075 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.669 1.045 8.847 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.887 -0.016 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.106 -2.045 7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.441 -1.415 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.500 -1.137 9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.019 -0.521 7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.509 0.452 8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.760 1.230 7.268 1.00 0.00 H new ATOM 29 N CYS A 3 -9.053 0.391 6.841 1.00 0.00 N ATOM 30 CA CYS A 3 -7.902 0.385 5.946 1.00 0.00 C ATOM 31 C CYS A 3 -8.333 0.144 4.503 1.00 0.00 C ATOM 32 O CYS A 3 -9.003 -0.844 4.202 1.00 0.00 O ATOM 33 CB CYS A 3 -6.905 -0.691 6.379 1.00 0.00 C ATOM 34 SG CYS A 3 -5.411 -0.785 5.339 1.00 0.00 S ATOM 0 H CYS A 3 -9.128 -0.436 7.434 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.423 1.363 6.002 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.606 -0.500 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.405 -1.660 6.367 1.00 0.00 H new ATOM 39 N VAL A 4 -7.940 1.050 3.614 1.00 0.00 N ATOM 40 CA VAL A 4 -8.284 0.932 2.202 1.00 0.00 C ATOM 41 C VAL A 4 -7.082 0.471 1.385 1.00 0.00 C ATOM 42 O VAL A 4 -6.044 1.132 1.361 1.00 0.00 O ATOM 43 CB VAL A 4 -8.800 2.267 1.630 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.425 2.056 0.258 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.795 2.910 2.586 1.00 0.00 C ATOM 0 H VAL A 4 -7.384 1.873 3.846 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.078 0.189 2.131 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.953 2.943 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.783 3.010 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.679 1.645 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.261 1.361 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.148 3.851 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.641 2.239 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.309 3.100 3.543 1.00 0.00 H new ATOM 55 N TYR A 5 -7.230 -0.669 0.721 1.00 0.00 N ATOM 56 CA TYR A 5 -6.159 -1.227 -0.096 1.00 0.00 C ATOM 57 C TYR A 5 -5.826 -0.314 -1.272 1.00 0.00 C ATOM 58 O TYR A 5 -4.657 -0.098 -1.590 1.00 0.00 O ATOM 59 CB TYR A 5 -6.558 -2.608 -0.609 1.00 0.00 C ATOM 60 CG TYR A 5 -5.395 -3.561 -0.767 1.00 0.00 C ATOM 61 CD1 TYR A 5 -4.543 -3.473 -1.861 1.00 0.00 C ATOM 62 CD2 TYR A 5 -5.152 -4.552 0.175 1.00 0.00 C ATOM 63 CE1 TYR A 5 -3.482 -4.345 -2.011 1.00 0.00 C ATOM 64 CE2 TYR A 5 -4.092 -5.427 0.033 1.00 0.00 C ATOM 65 CZ TYR A 5 -3.260 -5.320 -1.062 1.00 0.00 C ATOM 66 OH TYR A 5 -2.205 -6.190 -1.208 1.00 0.00 O ATOM 0 H TYR A 5 -8.084 -1.227 0.732 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.270 -1.314 0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.283 -3.045 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.058 -2.497 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.713 -2.710 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.802 -4.640 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.830 -4.263 -2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.916 -6.191 0.776 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.868 -6.144 -2.127 1.00 0.00 H new ATOM 76 N ARG A 6 -6.860 0.211 -1.920 1.00 0.00 N ATOM 77 CA ARG A 6 -6.679 1.090 -3.067 1.00 0.00 C ATOM 78 C ARG A 6 -6.011 2.404 -2.669 1.00 0.00 C ATOM 79 O ARG A 6 -5.184 2.937 -3.411 1.00 0.00 O ATOM 80 CB ARG A 6 -8.025 1.373 -3.728 1.00 0.00 C ATOM 81 CG ARG A 6 -7.942 1.529 -5.238 1.00 0.00 C ATOM 82 CD ARG A 6 -8.865 2.628 -5.738 1.00 0.00 C ATOM 83 NE ARG A 6 -10.124 2.094 -6.254 1.00 0.00 N ATOM 84 CZ ARG A 6 -10.979 2.797 -6.994 1.00 0.00 C ATOM 85 NH1 ARG A 6 -10.715 4.059 -7.307 1.00 0.00 N ATOM 86 NH2 ARG A 6 -12.101 2.235 -7.424 1.00 0.00 N ATOM 0 H ARG A 6 -7.834 0.042 -1.669 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.025 0.581 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.713 0.561 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.446 2.283 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.915 1.757 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.205 0.586 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.073 3.324 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.363 3.194 -6.523 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.361 1.127 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.853 4.496 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.374 4.592 -7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.308 1.265 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.756 2.773 -7.991 1.00 0.00 H new ATOM 100 N THR A 7 -6.366 2.921 -1.497 1.00 0.00 N ATOM 101 CA THR A 7 -5.793 4.170 -1.015 1.00 0.00 C ATOM 102 C THR A 7 -4.372 3.945 -0.532 1.00 0.00 C ATOM 103 O THR A 7 -3.473 4.739 -0.811 1.00 0.00 O ATOM 104 CB THR A 7 -6.644 4.751 0.115 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.019 4.713 -0.221 1.00 0.00 O ATOM 106 CG2 THR A 7 -6.293 6.184 0.450 1.00 0.00 C ATOM 0 H THR A 7 -7.045 2.495 -0.866 1.00 0.00 H new ATOM 0 HA THR A 7 -5.778 4.882 -1.840 1.00 0.00 H new ATOM 0 HB THR A 7 -6.434 4.128 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.546 5.087 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.933 6.536 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.250 6.240 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.443 6.810 -0.429 1.00 0.00 H new ATOM 114 N CYS A 8 -4.174 2.848 0.186 1.00 0.00 N ATOM 115 CA CYS A 8 -2.857 2.507 0.701 1.00 0.00 C ATOM 116 C CYS A 8 -1.944 2.070 -0.437 1.00 0.00 C ATOM 117 O CYS A 8 -0.739 2.321 -0.414 1.00 0.00 O ATOM 118 CB CYS A 8 -2.963 1.401 1.750 1.00 0.00 C ATOM 119 SG CYS A 8 -1.511 1.277 2.844 1.00 0.00 S ATOM 0 H CYS A 8 -4.908 2.181 0.424 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.429 3.391 1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.850 1.575 2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.106 0.446 1.244 1.00 0.00 H new ATOM 124 N ASP A 9 -2.533 1.423 -1.439 1.00 0.00 N ATOM 125 CA ASP A 9 -1.782 0.959 -2.594 1.00 0.00 C ATOM 126 C ASP A 9 -1.307 2.143 -3.429 1.00 0.00 C ATOM 127 O ASP A 9 -0.130 2.237 -3.779 1.00 0.00 O ATOM 128 CB ASP A 9 -2.640 0.025 -3.450 1.00 0.00 C ATOM 129 CG ASP A 9 -1.885 -0.522 -4.646 1.00 0.00 C ATOM 130 OD1 ASP A 9 -1.776 0.199 -5.660 1.00 0.00 O ATOM 131 OD2 ASP A 9 -1.401 -1.671 -4.568 1.00 0.00 O ATOM 0 H ASP A 9 -3.530 1.210 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.912 0.407 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.992 -0.804 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.523 0.563 -3.796 1.00 0.00 H new ATOM 136 N LYS A 10 -2.230 3.050 -3.740 1.00 0.00 N ATOM 137 CA LYS A 10 -1.900 4.230 -4.528 1.00 0.00 C ATOM 138 C LYS A 10 -0.879 5.097 -3.800 1.00 0.00 C ATOM 139 O LYS A 10 0.140 5.489 -4.372 1.00 0.00 O ATOM 140 CB LYS A 10 -3.159 5.039 -4.831 1.00 0.00 C ATOM 141 CG LYS A 10 -3.485 5.127 -6.313 1.00 0.00 C ATOM 142 CD LYS A 10 -3.029 6.450 -6.908 1.00 0.00 C ATOM 143 CE LYS A 10 -4.051 7.002 -7.888 1.00 0.00 C ATOM 144 NZ LYS A 10 -5.137 7.750 -7.197 1.00 0.00 N ATOM 0 H LYS A 10 -3.208 2.989 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.462 3.899 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.004 4.590 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.037 6.047 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.004 4.304 -6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.559 5.013 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.863 7.172 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.074 6.312 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.553 7.661 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.483 6.182 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.813 8.110 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.630 7.115 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.728 8.548 -6.670 1.00 0.00 H new ATOM 158 N ASP A 11 -1.151 5.387 -2.530 1.00 0.00 N ATOM 159 CA ASP A 11 -0.249 6.198 -1.725 1.00 0.00 C ATOM 160 C ASP A 11 1.141 5.576 -1.698 1.00 0.00 C ATOM 161 O ASP A 11 2.137 6.242 -1.978 1.00 0.00 O ATOM 162 CB ASP A 11 -0.788 6.336 -0.304 1.00 0.00 C ATOM 163 CG ASP A 11 -0.566 7.723 0.268 1.00 0.00 C ATOM 164 OD1 ASP A 11 0.585 8.205 0.226 1.00 0.00 O ATOM 165 OD2 ASP A 11 -1.544 8.326 0.758 1.00 0.00 O ATOM 0 H ASP A 11 -1.988 5.072 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.181 7.189 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.855 6.111 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.304 5.600 0.338 1.00 0.00 H new ATOM 170 N CYS A 12 1.196 4.289 -1.370 1.00 0.00 N ATOM 171 CA CYS A 12 2.460 3.566 -1.316 1.00 0.00 C ATOM 172 C CYS A 12 3.168 3.624 -2.666 1.00 0.00 C ATOM 173 O CYS A 12 4.374 3.859 -2.737 1.00 0.00 O ATOM 174 CB CYS A 12 2.224 2.109 -0.912 1.00 0.00 C ATOM 175 SG CYS A 12 3.744 1.197 -0.489 1.00 0.00 S ATOM 0 H CYS A 12 0.378 3.725 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 12 3.094 4.041 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.549 2.085 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.720 1.594 -1.730 1.00 0.00 H new ATOM 180 N LYS A 13 2.406 3.415 -3.736 1.00 0.00 N ATOM 181 CA LYS A 13 2.959 3.450 -5.084 1.00 0.00 C ATOM 182 C LYS A 13 3.583 4.812 -5.372 1.00 0.00 C ATOM 183 O LYS A 13 4.609 4.906 -6.047 1.00 0.00 O ATOM 184 CB LYS A 13 1.869 3.140 -6.114 1.00 0.00 C ATOM 185 CG LYS A 13 2.129 1.870 -6.908 1.00 0.00 C ATOM 186 CD LYS A 13 0.887 0.996 -6.987 1.00 0.00 C ATOM 187 CE LYS A 13 0.739 0.361 -8.360 1.00 0.00 C ATOM 188 NZ LYS A 13 1.946 -0.425 -8.742 1.00 0.00 N ATOM 0 H LYS A 13 1.406 3.220 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 13 3.737 2.690 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.911 3.049 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.783 3.979 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.456 2.130 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.940 1.309 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.941 0.216 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.004 1.596 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.135 -0.290 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.562 1.139 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.656 -1.365 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.459 0.072 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.567 -0.531 -7.915 1.00 0.00 H new ATOM 202 N ARG A 14 2.958 5.864 -4.853 1.00 0.00 N ATOM 203 CA ARG A 14 3.452 7.220 -5.051 1.00 0.00 C ATOM 204 C ARG A 14 4.346 7.658 -3.891 1.00 0.00 C ATOM 205 O ARG A 14 4.574 8.851 -3.691 1.00 0.00 O ATOM 206 CB ARG A 14 2.282 8.193 -5.208 1.00 0.00 C ATOM 207 CG ARG A 14 1.987 8.560 -6.654 1.00 0.00 C ATOM 208 CD ARG A 14 1.305 9.915 -6.758 1.00 0.00 C ATOM 209 NE ARG A 14 -0.139 9.788 -6.935 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.918 10.765 -7.395 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.396 11.940 -7.724 1.00 0.00 N ATOM 212 NH2 ARG A 14 -2.223 10.566 -7.525 1.00 0.00 N ATOM 0 H ARG A 14 2.108 5.802 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 14 4.049 7.230 -5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.390 7.750 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.499 9.103 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.916 8.575 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.351 7.796 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.510 10.494 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.726 10.469 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.576 8.899 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.607 12.098 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.998 12.685 -8.076 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.629 9.665 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.820 11.314 -7.877 1.00 0.00 H new ATOM 226 N ARG A 15 4.852 6.690 -3.129 1.00 0.00 N ATOM 227 CA ARG A 15 5.719 6.984 -1.996 1.00 0.00 C ATOM 228 C ARG A 15 7.085 6.330 -2.174 1.00 0.00 C ATOM 229 O ARG A 15 7.689 5.858 -1.211 1.00 0.00 O ATOM 230 CB ARG A 15 5.076 6.505 -0.693 1.00 0.00 C ATOM 231 CG ARG A 15 5.254 7.475 0.465 1.00 0.00 C ATOM 232 CD ARG A 15 3.949 7.698 1.211 1.00 0.00 C ATOM 233 NE ARG A 15 4.113 8.606 2.343 1.00 0.00 N ATOM 234 CZ ARG A 15 3.147 8.887 3.213 1.00 0.00 C ATOM 235 NH1 ARG A 15 1.947 8.334 3.085 1.00 0.00 N ATOM 236 NH2 ARG A 15 3.380 9.724 4.215 1.00 0.00 N ATOM 0 H ARG A 15 4.675 5.697 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 15 5.856 8.064 -1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.011 6.344 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.505 5.541 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.006 7.088 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.627 8.428 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.205 8.104 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.567 6.741 1.566 1.00 0.00 H new ATOM 0 HE ARG A 15 5.022 9.051 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.762 7.690 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.210 8.553 3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.300 10.152 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.639 9.940 4.882 1.00 0.00 H new ATOM 250 N GLY A 16 7.567 6.306 -3.412 1.00 0.00 N ATOM 251 CA GLY A 16 8.857 5.708 -3.695 1.00 0.00 C ATOM 252 C GLY A 16 8.882 4.217 -3.418 1.00 0.00 C ATOM 253 O GLY A 16 9.941 3.646 -3.159 1.00 0.00 O ATOM 0 H GLY A 16 7.086 6.691 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.114 5.884 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.621 6.199 -3.092 1.00 0.00 H new ATOM 257 N TYR A 17 7.713 3.586 -3.474 1.00 0.00 N ATOM 258 CA TYR A 17 7.607 2.152 -3.230 1.00 0.00 C ATOM 259 C TYR A 17 6.934 1.449 -4.404 1.00 0.00 C ATOM 260 O TYR A 17 6.226 2.076 -5.192 1.00 0.00 O ATOM 261 CB TYR A 17 6.822 1.887 -1.943 1.00 0.00 C ATOM 262 CG TYR A 17 7.455 2.495 -0.711 1.00 0.00 C ATOM 263 CD1 TYR A 17 8.771 2.208 -0.370 1.00 0.00 C ATOM 264 CD2 TYR A 17 6.736 3.355 0.110 1.00 0.00 C ATOM 265 CE1 TYR A 17 9.353 2.761 0.755 1.00 0.00 C ATOM 266 CE2 TYR A 17 7.311 3.912 1.236 1.00 0.00 C ATOM 267 CZ TYR A 17 8.619 3.612 1.554 1.00 0.00 C ATOM 268 OH TYR A 17 9.195 4.165 2.675 1.00 0.00 O ATOM 0 H TYR A 17 6.827 4.045 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 17 8.615 1.753 -3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.812 2.282 -2.055 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.729 0.811 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.348 1.542 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.711 3.592 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 17 10.377 2.528 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.739 4.579 1.864 1.00 0.00 H new ATOM 0 HH TYR A 17 8.544 4.742 3.127 1.00 0.00 H new ATOM 278 N ARG A 18 7.161 0.145 -4.515 1.00 0.00 N ATOM 279 CA ARG A 18 6.577 -0.643 -5.593 1.00 0.00 C ATOM 280 C ARG A 18 5.073 -0.810 -5.394 1.00 0.00 C ATOM 281 O ARG A 18 4.292 -0.652 -6.332 1.00 0.00 O ATOM 282 CB ARG A 18 7.252 -2.015 -5.674 1.00 0.00 C ATOM 283 CG ARG A 18 7.791 -2.346 -7.057 1.00 0.00 C ATOM 284 CD ARG A 18 6.724 -2.982 -7.933 1.00 0.00 C ATOM 285 NE ARG A 18 6.857 -4.436 -7.989 1.00 0.00 N ATOM 286 CZ ARG A 18 7.846 -5.066 -8.620 1.00 0.00 C ATOM 287 NH1 ARG A 18 8.789 -4.374 -9.247 1.00 0.00 N ATOM 288 NH2 ARG A 18 7.893 -6.391 -8.622 1.00 0.00 N ATOM 0 H ARG A 18 7.745 -0.389 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 18 6.742 -0.110 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.071 -2.051 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.535 -2.782 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.159 -1.437 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.640 -3.024 -6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.737 -2.723 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.791 -2.573 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 18 6.151 -5.001 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.758 -3.354 -9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.544 -4.862 -9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.172 -6.928 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.650 -6.874 -9.105 1.00 0.00 H new ATOM 302 N SER A 19 4.674 -1.130 -4.166 1.00 0.00 N ATOM 303 CA SER A 19 3.263 -1.318 -3.846 1.00 0.00 C ATOM 304 C SER A 19 3.078 -1.614 -2.362 1.00 0.00 C ATOM 305 O SER A 19 4.032 -1.954 -1.664 1.00 0.00 O ATOM 306 CB SER A 19 2.675 -2.457 -4.682 1.00 0.00 C ATOM 307 OG SER A 19 1.266 -2.519 -4.541 1.00 0.00 O ATOM 0 H SER A 19 5.307 -1.264 -3.378 1.00 0.00 H new ATOM 0 HA SER A 19 2.736 -0.394 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.933 -2.312 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.117 -3.404 -4.373 1.00 0.00 H new ATOM 0 HG SER A 19 0.876 -1.650 -4.770 1.00 0.00 H new ATOM 313 N GLY A 20 1.844 -1.483 -1.886 1.00 0.00 N ATOM 314 CA GLY A 20 1.558 -1.740 -0.486 1.00 0.00 C ATOM 315 C GLY A 20 0.460 -2.767 -0.295 1.00 0.00 C ATOM 316 O GLY A 20 -0.332 -3.017 -1.204 1.00 0.00 O ATOM 0 H GLY A 20 1.037 -1.204 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.465 -2.087 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.267 -0.808 -0.001 1.00 0.00 H new ATOM 320 N LYS A 21 0.413 -3.361 0.892 1.00 0.00 N ATOM 321 CA LYS A 21 -0.596 -4.368 1.206 1.00 0.00 C ATOM 322 C LYS A 21 -1.084 -4.216 2.643 1.00 0.00 C ATOM 323 O LYS A 21 -0.293 -3.971 3.553 1.00 0.00 O ATOM 324 CB LYS A 21 -0.030 -5.772 0.993 1.00 0.00 C ATOM 325 CG LYS A 21 0.687 -5.945 -0.336 1.00 0.00 C ATOM 326 CD LYS A 21 1.254 -7.348 -0.484 1.00 0.00 C ATOM 327 CE LYS A 21 1.546 -7.678 -1.939 1.00 0.00 C ATOM 328 NZ LYS A 21 0.370 -8.289 -2.617 1.00 0.00 N ATOM 0 H LYS A 21 1.062 -3.163 1.654 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.442 -4.221 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.663 -6.002 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.843 -6.495 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.005 -5.743 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.493 -5.215 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.169 -7.436 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.547 -8.072 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.837 -6.769 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.392 -8.363 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.610 -8.499 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.107 -9.170 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.431 -7.626 -2.588 1.00 0.00 H new ATOM 342 N CYS A 22 -2.391 -4.361 2.840 1.00 0.00 N ATOM 343 CA CYS A 22 -2.980 -4.236 4.169 1.00 0.00 C ATOM 344 C CYS A 22 -3.410 -5.594 4.712 1.00 0.00 C ATOM 345 O CYS A 22 -4.364 -6.198 4.221 1.00 0.00 O ATOM 346 CB CYS A 22 -4.178 -3.284 4.134 1.00 0.00 C ATOM 347 SG CYS A 22 -4.642 -2.615 5.764 1.00 0.00 S ATOM 0 H CYS A 22 -3.061 -4.565 2.098 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.219 -3.828 4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.951 -2.455 3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.034 -3.810 3.711 1.00 0.00 H new ATOM 352 N ILE A 23 -2.699 -6.066 5.730 1.00 0.00 N ATOM 353 CA ILE A 23 -2.999 -7.348 6.347 1.00 0.00 C ATOM 354 C ILE A 23 -2.881 -7.262 7.866 1.00 0.00 C ATOM 355 O ILE A 23 -2.061 -6.510 8.392 1.00 0.00 O ATOM 356 CB ILE A 23 -2.055 -8.448 5.829 1.00 0.00 C ATOM 357 CG1 ILE A 23 -2.064 -8.480 4.300 1.00 0.00 C ATOM 358 CG2 ILE A 23 -2.452 -9.804 6.396 1.00 0.00 C ATOM 359 CD1 ILE A 23 -3.398 -8.884 3.710 1.00 0.00 C ATOM 0 H ILE A 23 -1.907 -5.575 6.146 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.024 -7.603 6.079 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.043 -8.221 6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.793 -7.494 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.298 -9.175 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.773 -10.569 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.396 -9.774 7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.471 -10.041 6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.329 -8.885 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.662 -9.883 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.165 -8.176 4.025 1.00 0.00 H new ATOM 371 N ASN A 24 -3.704 -8.037 8.566 1.00 0.00 N ATOM 372 CA ASN A 24 -3.690 -8.048 10.025 1.00 0.00 C ATOM 373 C ASN A 24 -3.882 -6.644 10.590 1.00 0.00 C ATOM 374 O ASN A 24 -3.320 -6.299 11.629 1.00 0.00 O ATOM 375 CB ASN A 24 -2.378 -8.631 10.537 1.00 0.00 C ATOM 376 CG ASN A 24 -2.370 -10.147 10.518 1.00 0.00 C ATOM 377 OD1 ASN A 24 -3.095 -10.793 11.275 1.00 0.00 O ATOM 378 ND2 ASN A 24 -1.547 -10.723 9.649 1.00 0.00 N ATOM 0 H ASN A 24 -4.389 -8.666 8.146 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.519 -8.671 10.361 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.556 -8.259 9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.202 -8.283 11.555 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.498 -11.740 9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.964 -10.148 9.041 1.00 0.00 H new ATOM 385 N ASN A 25 -4.680 -5.842 9.899 1.00 0.00 N ATOM 386 CA ASN A 25 -4.952 -4.473 10.327 1.00 0.00 C ATOM 387 C ASN A 25 -3.687 -3.620 10.265 1.00 0.00 C ATOM 388 O ASN A 25 -3.541 -2.655 11.016 1.00 0.00 O ATOM 389 CB ASN A 25 -5.525 -4.461 11.747 1.00 0.00 C ATOM 390 CG ASN A 25 -6.947 -3.937 11.793 1.00 0.00 C ATOM 391 OD1 ASN A 25 -7.355 -3.140 10.948 1.00 0.00 O ATOM 392 ND2 ASN A 25 -7.711 -4.383 12.784 1.00 0.00 N ATOM 0 H ASN A 25 -5.152 -6.115 9.037 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.688 -4.047 9.645 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.500 -5.472 12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.893 -3.844 12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.677 -4.065 12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.332 -5.043 13.463 1.00 0.00 H new ATOM 399 N ALA A 26 -2.777 -3.980 9.367 1.00 0.00 N ATOM 400 CA ALA A 26 -1.527 -3.246 9.207 1.00 0.00 C ATOM 401 C ALA A 26 -1.102 -3.206 7.743 1.00 0.00 C ATOM 402 O ALA A 26 -0.914 -4.247 7.114 1.00 0.00 O ATOM 403 CB ALA A 26 -0.434 -3.873 10.059 1.00 0.00 C ATOM 0 H ALA A 26 -2.881 -4.776 8.738 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.689 -2.221 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.493 -3.315 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.730 -3.847 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.281 -4.907 9.751 1.00 0.00 H new ATOM 409 N CYS A 27 -0.957 -1.999 7.205 1.00 0.00 N ATOM 410 CA CYS A 27 -0.560 -1.830 5.814 1.00 0.00 C ATOM 411 C CYS A 27 0.957 -1.760 5.680 1.00 0.00 C ATOM 412 O CYS A 27 1.586 -0.795 6.113 1.00 0.00 O ATOM 413 CB CYS A 27 -1.199 -0.572 5.230 1.00 0.00 C ATOM 414 SG CYS A 27 -1.510 -0.663 3.436 1.00 0.00 S ATOM 0 H CYS A 27 -1.108 -1.126 7.711 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.910 -2.698 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.142 -0.384 5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.551 0.280 5.433 1.00 0.00 H new ATOM 419 N LYS A 28 1.535 -2.792 5.075 1.00 0.00 N ATOM 420 CA LYS A 28 2.978 -2.855 4.878 1.00 0.00 C ATOM 421 C LYS A 28 3.346 -2.497 3.441 1.00 0.00 C ATOM 422 O LYS A 28 2.848 -3.105 2.493 1.00 0.00 O ATOM 423 CB LYS A 28 3.499 -4.253 5.218 1.00 0.00 C ATOM 424 CG LYS A 28 4.920 -4.258 5.759 1.00 0.00 C ATOM 425 CD LYS A 28 5.450 -5.674 5.920 1.00 0.00 C ATOM 426 CE LYS A 28 5.230 -6.193 7.332 1.00 0.00 C ATOM 427 NZ LYS A 28 5.491 -7.656 7.433 1.00 0.00 N ATOM 0 H LYS A 28 1.025 -3.597 4.712 1.00 0.00 H new ATOM 0 HA LYS A 28 3.444 -2.129 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.837 -4.709 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.457 -4.875 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.569 -3.700 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.946 -3.747 6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.954 -6.333 5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.514 -5.694 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.884 -5.659 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.205 -5.985 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.330 -7.971 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.849 -8.168 6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.476 -7.852 7.164 1.00 0.00 H new ATOM 441 N CYS A 29 4.218 -1.507 3.287 1.00 0.00 N ATOM 442 CA CYS A 29 4.651 -1.068 1.966 1.00 0.00 C ATOM 443 C CYS A 29 5.706 -2.011 1.396 1.00 0.00 C ATOM 444 O CYS A 29 6.308 -2.797 2.127 1.00 0.00 O ATOM 445 CB CYS A 29 5.202 0.353 2.038 1.00 0.00 C ATOM 446 SG CYS A 29 4.039 1.636 1.470 1.00 0.00 S ATOM 0 H CYS A 29 4.639 -0.993 4.061 1.00 0.00 H new ATOM 0 HA CYS A 29 3.786 -1.082 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.488 0.568 3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.110 0.410 1.437 1.00 0.00 H new ATOM 451 N TYR A 30 5.925 -1.930 0.088 1.00 0.00 N ATOM 452 CA TYR A 30 6.908 -2.779 -0.575 1.00 0.00 C ATOM 453 C TYR A 30 7.681 -1.995 -1.635 1.00 0.00 C ATOM 454 O TYR A 30 7.140 -1.674 -2.693 1.00 0.00 O ATOM 455 CB TYR A 30 6.217 -3.983 -1.218 1.00 0.00 C ATOM 456 CG TYR A 30 5.484 -4.857 -0.227 1.00 0.00 C ATOM 457 CD1 TYR A 30 4.184 -4.559 0.161 1.00 0.00 C ATOM 458 CD2 TYR A 30 6.092 -5.979 0.321 1.00 0.00 C ATOM 459 CE1 TYR A 30 3.511 -5.355 1.068 1.00 0.00 C ATOM 460 CE2 TYR A 30 5.426 -6.780 1.228 1.00 0.00 C ATOM 461 CZ TYR A 30 4.136 -6.464 1.598 1.00 0.00 C ATOM 462 OH TYR A 30 3.469 -7.259 2.502 1.00 0.00 O ATOM 0 H TYR A 30 5.436 -1.286 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 30 7.615 -3.130 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.511 -3.628 -1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.962 -4.584 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.691 -3.691 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.102 -6.229 0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.501 -5.110 1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.913 -7.649 1.645 1.00 0.00 H new ATOM 0 HH TYR A 30 4.049 -7.999 2.777 1.00 0.00 H new ATOM 472 N PRO A 31 8.961 -1.674 -1.368 1.00 0.00 N ATOM 473 CA PRO A 31 9.797 -0.924 -2.311 1.00 0.00 C ATOM 474 C PRO A 31 10.131 -1.732 -3.560 1.00 0.00 C ATOM 475 O PRO A 31 9.767 -2.903 -3.670 1.00 0.00 O ATOM 476 CB PRO A 31 11.068 -0.630 -1.509 1.00 0.00 C ATOM 477 CG PRO A 31 11.121 -1.701 -0.476 1.00 0.00 C ATOM 478 CD PRO A 31 9.692 -2.015 -0.132 1.00 0.00 C ATOM 0 HA PRO A 31 9.293 -0.030 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.952 -0.651 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.028 0.359 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.634 -2.584 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.670 -1.367 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.564 -3.064 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.344 -1.426 0.716 1.00 0.00 H new ATOM 486 N TYR A 32 10.825 -1.098 -4.500 1.00 0.00 N ATOM 487 CA TYR A 32 11.209 -1.757 -5.743 1.00 0.00 C ATOM 488 C TYR A 32 12.070 -2.985 -5.466 1.00 0.00 C ATOM 489 O TYR A 32 12.910 -2.922 -4.545 1.00 0.00 O ATOM 490 CB TYR A 32 11.966 -0.783 -6.648 1.00 0.00 C ATOM 491 CG TYR A 32 11.648 -0.948 -8.117 1.00 0.00 C ATOM 492 CD1 TYR A 32 12.239 -1.958 -8.866 1.00 0.00 C ATOM 493 CD2 TYR A 32 10.758 -0.094 -8.755 1.00 0.00 C ATOM 494 CE1 TYR A 32 11.952 -2.112 -10.209 1.00 0.00 C ATOM 495 CE2 TYR A 32 10.465 -0.241 -10.097 1.00 0.00 C ATOM 496 CZ TYR A 32 11.064 -1.252 -10.819 1.00 0.00 C ATOM 497 OH TYR A 32 10.775 -1.402 -12.156 1.00 0.00 O ATOM 498 OXT TYR A 32 11.895 -4.000 -6.173 1.00 0.00 O ATOM 0 H TYR A 32 11.133 -0.129 -4.424 1.00 0.00 H new ATOM 0 HA TYR A 32 10.299 -2.081 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.730 0.238 -6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.037 -0.920 -6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.934 -2.634 -8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.287 0.699 -8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.421 -2.902 -10.777 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.771 0.432 -10.578 1.00 0.00 H new ATOM 0 HH TYR A 32 10.131 -0.716 -12.430 1.00 0.00 H new TER 508 TYR A 32