USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 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+ -127:sc= 0.0892 (180deg=0) USER MOD Single : A 5 TYR OH : rot 115:sc= 0.261 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.159 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.29) USER MOD Single : A 25 ASN : amide:sc=-0.00142 X(o=-0.0014,f=-0.08) 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 -12.863 4.583 9.863 1.00 0.00 N ATOM 2 CA ALA A 1 -12.891 4.120 8.452 1.00 0.00 C ATOM 3 C ALA A 1 -12.263 2.737 8.317 1.00 0.00 C ATOM 4 O ALA A 1 -11.836 2.139 9.305 1.00 0.00 O ATOM 5 CB ALA A 1 -12.170 5.116 7.556 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.821 4.864 10.155 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.527 3.812 10.475 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.222 5.397 9.948 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.933 4.052 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.198 4.764 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.661 6.087 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.133 5.212 7.879 1.00 0.00 H new ATOM 13 N VAL A 2 -12.210 2.234 7.088 1.00 0.00 N ATOM 14 CA VAL A 2 -11.634 0.920 6.822 1.00 0.00 C ATOM 15 C VAL A 2 -10.356 1.043 5.998 1.00 0.00 C ATOM 16 O VAL A 2 -10.186 1.995 5.237 1.00 0.00 O ATOM 17 CB VAL A 2 -12.626 -0.007 6.080 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.104 -1.122 6.996 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.810 0.780 5.530 1.00 0.00 C ATOM 0 H VAL A 2 -12.559 2.716 6.260 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.405 0.478 7.791 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.100 -0.454 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.801 -1.763 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.250 -1.712 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.605 -0.691 7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.490 0.102 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.337 1.266 6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.451 1.536 4.831 1.00 0.00 H new ATOM 29 N CYS A 3 -9.462 0.072 6.155 1.00 0.00 N ATOM 30 CA CYS A 3 -8.199 0.071 5.425 1.00 0.00 C ATOM 31 C CYS A 3 -8.438 -0.098 3.928 1.00 0.00 C ATOM 32 O CYS A 3 -8.979 -1.112 3.486 1.00 0.00 O ATOM 33 CB CYS A 3 -7.291 -1.048 5.938 1.00 0.00 C ATOM 34 SG CYS A 3 -5.684 -1.157 5.085 1.00 0.00 S ATOM 0 H CYS A 3 -9.588 -0.724 6.781 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.710 1.031 5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.115 -0.898 7.003 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.811 -2.000 5.832 1.00 0.00 H new ATOM 39 N VAL A 4 -8.030 0.901 3.152 1.00 0.00 N ATOM 40 CA VAL A 4 -8.199 0.860 1.705 1.00 0.00 C ATOM 41 C VAL A 4 -6.901 0.453 1.017 1.00 0.00 C ATOM 42 O VAL A 4 -5.872 1.113 1.165 1.00 0.00 O ATOM 43 CB VAL A 4 -8.663 2.219 1.148 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.150 2.068 -0.285 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.752 2.817 2.027 1.00 0.00 C ATOM 0 H VAL A 4 -7.581 1.748 3.501 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.969 0.117 1.497 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.812 2.901 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.474 3.038 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.339 1.689 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.986 1.369 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.065 3.777 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.606 2.140 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.366 2.963 3.036 1.00 0.00 H new ATOM 55 N TYR A 5 -6.957 -0.644 0.271 1.00 0.00 N ATOM 56 CA TYR A 5 -5.789 -1.156 -0.436 1.00 0.00 C ATOM 57 C TYR A 5 -5.363 -0.229 -1.572 1.00 0.00 C ATOM 58 O TYR A 5 -4.178 0.056 -1.738 1.00 0.00 O ATOM 59 CB TYR A 5 -6.085 -2.547 -0.986 1.00 0.00 C ATOM 60 CG TYR A 5 -4.891 -3.223 -1.621 1.00 0.00 C ATOM 61 CD1 TYR A 5 -4.372 -2.770 -2.828 1.00 0.00 C ATOM 62 CD2 TYR A 5 -4.286 -4.317 -1.016 1.00 0.00 C ATOM 63 CE1 TYR A 5 -3.284 -3.390 -3.413 1.00 0.00 C ATOM 64 CE2 TYR A 5 -3.197 -4.940 -1.594 1.00 0.00 C ATOM 65 CZ TYR A 5 -2.700 -4.473 -2.792 1.00 0.00 C ATOM 66 OH TYR A 5 -1.617 -5.093 -3.372 1.00 0.00 O ATOM 0 H TYR A 5 -7.803 -1.198 0.140 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.966 -1.209 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.457 -3.175 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.883 -2.472 -1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.826 -1.920 -3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.673 -4.687 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.893 -3.028 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.737 -5.789 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.829 -4.978 -2.801 1.00 0.00 H new ATOM 76 N ARG A 6 -6.331 0.222 -2.361 1.00 0.00 N ATOM 77 CA ARG A 6 -6.051 1.098 -3.494 1.00 0.00 C ATOM 78 C ARG A 6 -5.537 2.466 -3.050 1.00 0.00 C ATOM 79 O ARG A 6 -4.590 2.999 -3.633 1.00 0.00 O ATOM 80 CB ARG A 6 -7.305 1.269 -4.346 1.00 0.00 C ATOM 81 CG ARG A 6 -7.017 1.415 -5.831 1.00 0.00 C ATOM 82 CD ARG A 6 -8.264 1.814 -6.603 1.00 0.00 C ATOM 83 NE ARG A 6 -8.363 3.261 -6.774 1.00 0.00 N ATOM 84 CZ ARG A 6 -9.138 3.850 -7.682 1.00 0.00 C ATOM 85 NH1 ARG A 6 -9.884 3.119 -8.502 1.00 0.00 N ATOM 86 NH2 ARG A 6 -9.169 5.172 -7.771 1.00 0.00 N ATOM 0 H ARG A 6 -7.318 -0.004 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.266 0.625 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.957 0.409 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.851 2.148 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.240 2.165 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.631 0.474 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.254 1.333 -7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.147 1.450 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.805 3.856 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.865 2.101 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.476 3.575 -9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.599 5.739 -7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.763 5.622 -8.467 1.00 0.00 H new ATOM 100 N THR A 7 -6.158 3.034 -2.021 1.00 0.00 N ATOM 101 CA THR A 7 -5.750 4.340 -1.520 1.00 0.00 C ATOM 102 C THR A 7 -4.423 4.233 -0.795 1.00 0.00 C ATOM 103 O THR A 7 -3.560 5.100 -0.921 1.00 0.00 O ATOM 104 CB THR A 7 -6.813 4.915 -0.584 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.097 4.847 -1.179 1.00 0.00 O ATOM 106 CG2 THR A 7 -6.559 6.358 -0.204 1.00 0.00 C ATOM 0 H THR A 7 -6.941 2.613 -1.521 1.00 0.00 H new ATOM 0 HA THR A 7 -5.636 5.013 -2.370 1.00 0.00 H new ATOM 0 HB THR A 7 -6.763 4.304 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.763 5.218 -0.563 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.350 6.704 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.598 6.437 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.546 6.974 -1.103 1.00 0.00 H new ATOM 114 N CYS A 8 -4.264 3.153 -0.043 1.00 0.00 N ATOM 115 CA CYS A 8 -3.031 2.921 0.698 1.00 0.00 C ATOM 116 C CYS A 8 -1.891 2.600 -0.261 1.00 0.00 C ATOM 117 O CYS A 8 -0.769 3.086 -0.099 1.00 0.00 O ATOM 118 CB CYS A 8 -3.214 1.778 1.699 1.00 0.00 C ATOM 119 SG CYS A 8 -1.847 1.614 2.892 1.00 0.00 S ATOM 0 H CYS A 8 -4.970 2.426 0.070 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.783 3.829 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.144 1.933 2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.319 0.842 1.151 1.00 0.00 H new ATOM 124 N ASP A 9 -2.191 1.786 -1.267 1.00 0.00 N ATOM 125 CA ASP A 9 -1.201 1.402 -2.262 1.00 0.00 C ATOM 126 C ASP A 9 -0.711 2.625 -3.026 1.00 0.00 C ATOM 127 O ASP A 9 0.491 2.818 -3.200 1.00 0.00 O ATOM 128 CB ASP A 9 -1.792 0.382 -3.238 1.00 0.00 C ATOM 129 CG ASP A 9 -0.744 -0.214 -4.156 1.00 0.00 C ATOM 130 OD1 ASP A 9 -0.512 0.357 -5.243 1.00 0.00 O ATOM 131 OD2 ASP A 9 -0.154 -1.252 -3.789 1.00 0.00 O ATOM 0 H ASP A 9 -3.115 1.379 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.356 0.948 -1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.275 -0.417 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.565 0.863 -3.837 1.00 0.00 H new ATOM 136 N LYS A 10 -1.652 3.446 -3.482 1.00 0.00 N ATOM 137 CA LYS A 10 -1.316 4.651 -4.230 1.00 0.00 C ATOM 138 C LYS A 10 -0.548 5.644 -3.362 1.00 0.00 C ATOM 139 O LYS A 10 0.432 6.243 -3.807 1.00 0.00 O ATOM 140 CB LYS A 10 -2.582 5.302 -4.780 1.00 0.00 C ATOM 141 CG LYS A 10 -2.633 5.348 -6.299 1.00 0.00 C ATOM 142 CD LYS A 10 -4.065 5.399 -6.806 1.00 0.00 C ATOM 143 CE LYS A 10 -4.153 4.991 -8.268 1.00 0.00 C ATOM 144 NZ LYS A 10 -4.581 3.573 -8.423 1.00 0.00 N ATOM 0 H LYS A 10 -2.652 3.298 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.674 4.362 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.451 4.756 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.656 6.318 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.088 6.222 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.132 4.471 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.689 4.738 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.460 6.408 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.858 5.642 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.182 5.131 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.629 3.333 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.895 2.950 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.519 3.444 -7.992 1.00 0.00 H new ATOM 158 N ASP A 11 -0.995 5.813 -2.120 1.00 0.00 N ATOM 159 CA ASP A 11 -0.346 6.732 -1.194 1.00 0.00 C ATOM 160 C ASP A 11 1.121 6.366 -1.010 1.00 0.00 C ATOM 161 O ASP A 11 2.005 7.212 -1.145 1.00 0.00 O ATOM 162 CB ASP A 11 -1.057 6.713 0.156 1.00 0.00 C ATOM 163 CG ASP A 11 -1.146 8.089 0.785 1.00 0.00 C ATOM 164 OD1 ASP A 11 -1.895 8.937 0.255 1.00 0.00 O ATOM 165 OD2 ASP A 11 -0.468 8.319 1.808 1.00 0.00 O ATOM 0 H ASP A 11 -1.803 5.325 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.405 7.736 -1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.062 6.310 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.528 6.042 0.832 1.00 0.00 H new ATOM 170 N CYS A 12 1.370 5.100 -0.699 1.00 0.00 N ATOM 171 CA CYS A 12 2.732 4.622 -0.495 1.00 0.00 C ATOM 172 C CYS A 12 3.502 4.578 -1.812 1.00 0.00 C ATOM 173 O CYS A 12 4.669 4.967 -1.872 1.00 0.00 O ATOM 174 CB CYS A 12 2.719 3.234 0.149 1.00 0.00 C ATOM 175 SG CYS A 12 4.311 2.752 0.894 1.00 0.00 S ATOM 0 H CYS A 12 0.649 4.388 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 12 3.235 5.320 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.946 3.208 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.444 2.497 -0.605 1.00 0.00 H new ATOM 180 N LYS A 13 2.842 4.107 -2.869 1.00 0.00 N ATOM 181 CA LYS A 13 3.468 4.016 -4.183 1.00 0.00 C ATOM 182 C LYS A 13 4.024 5.372 -4.609 1.00 0.00 C ATOM 183 O LYS A 13 5.096 5.455 -5.208 1.00 0.00 O ATOM 184 CB LYS A 13 2.452 3.495 -5.211 1.00 0.00 C ATOM 185 CG LYS A 13 2.670 4.012 -6.626 1.00 0.00 C ATOM 186 CD LYS A 13 2.025 5.375 -6.819 1.00 0.00 C ATOM 187 CE LYS A 13 1.262 5.452 -8.132 1.00 0.00 C ATOM 188 NZ LYS A 13 0.964 6.859 -8.522 1.00 0.00 N ATOM 0 H LYS A 13 1.875 3.783 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 13 4.301 3.315 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.493 2.406 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.449 3.772 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.738 4.080 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.253 3.305 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.346 5.578 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.793 6.148 -6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.845 4.973 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.329 4.895 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.443 6.867 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.386 7.309 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.855 7.385 -8.633 1.00 0.00 H new ATOM 202 N ARG A 14 3.286 6.430 -4.297 1.00 0.00 N ATOM 203 CA ARG A 14 3.702 7.778 -4.645 1.00 0.00 C ATOM 204 C ARG A 14 4.933 8.193 -3.843 1.00 0.00 C ATOM 205 O ARG A 14 5.711 9.041 -4.279 1.00 0.00 O ATOM 206 CB ARG A 14 2.553 8.756 -4.398 1.00 0.00 C ATOM 207 CG ARG A 14 2.896 10.195 -4.734 1.00 0.00 C ATOM 208 CD ARG A 14 2.305 10.613 -6.072 1.00 0.00 C ATOM 209 NE ARG A 14 2.676 11.979 -6.432 1.00 0.00 N ATOM 210 CZ ARG A 14 2.203 12.618 -7.500 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.342 12.019 -8.313 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.592 13.860 -7.754 1.00 0.00 N ATOM 0 H ARG A 14 2.395 6.378 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 14 3.966 7.797 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.692 8.449 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.256 8.697 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.522 10.852 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.979 10.315 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.646 9.928 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.219 10.532 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 14 3.336 12.472 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.039 11.064 -8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.983 12.514 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.253 14.325 -7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.230 14.351 -8.572 1.00 0.00 H new ATOM 226 N ARG A 15 5.107 7.588 -2.672 1.00 0.00 N ATOM 227 CA ARG A 15 6.249 7.898 -1.820 1.00 0.00 C ATOM 228 C ARG A 15 7.518 7.261 -2.372 1.00 0.00 C ATOM 229 O ARG A 15 8.580 7.884 -2.397 1.00 0.00 O ATOM 230 CB ARG A 15 5.996 7.409 -0.393 1.00 0.00 C ATOM 231 CG ARG A 15 4.717 7.958 0.221 1.00 0.00 C ATOM 232 CD ARG A 15 4.901 8.291 1.693 1.00 0.00 C ATOM 233 NE ARG A 15 4.277 9.563 2.047 1.00 0.00 N ATOM 234 CZ ARG A 15 4.010 9.936 3.297 1.00 0.00 C ATOM 235 NH1 ARG A 15 4.309 9.136 4.314 1.00 0.00 N ATOM 236 NH2 ARG A 15 3.442 11.111 3.532 1.00 0.00 N ATOM 0 H ARG A 15 4.474 6.883 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 15 6.381 8.980 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.950 6.320 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.841 7.692 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.408 8.853 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.916 7.227 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.472 7.495 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.965 8.332 1.925 1.00 0.00 H new ATOM 0 HE ARG A 15 4.031 10.203 1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.745 8.231 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.102 9.427 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.209 11.730 2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.238 11.396 4.490 1.00 0.00 H new ATOM 250 N GLY A 16 7.399 6.014 -2.812 1.00 0.00 N ATOM 251 CA GLY A 16 8.535 5.306 -3.357 1.00 0.00 C ATOM 252 C GLY A 16 8.400 3.804 -3.216 1.00 0.00 C ATOM 253 O GLY A 16 9.351 3.121 -2.835 1.00 0.00 O ATOM 0 H GLY A 16 6.530 5.481 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.647 5.561 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.442 5.636 -2.851 1.00 0.00 H new ATOM 257 N TYR A 17 7.213 3.286 -3.519 1.00 0.00 N ATOM 258 CA TYR A 17 6.960 1.853 -3.417 1.00 0.00 C ATOM 259 C TYR A 17 6.305 1.319 -4.687 1.00 0.00 C ATOM 260 O TYR A 17 5.992 2.080 -5.602 1.00 0.00 O ATOM 261 CB TYR A 17 6.077 1.557 -2.206 1.00 0.00 C ATOM 262 CG TYR A 17 6.764 1.810 -0.883 1.00 0.00 C ATOM 263 CD1 TYR A 17 7.134 3.095 -0.506 1.00 0.00 C ATOM 264 CD2 TYR A 17 7.044 0.765 -0.013 1.00 0.00 C ATOM 265 CE1 TYR A 17 7.764 3.331 0.702 1.00 0.00 C ATOM 266 CE2 TYR A 17 7.673 0.992 1.197 1.00 0.00 C ATOM 267 CZ TYR A 17 8.031 2.276 1.549 1.00 0.00 C ATOM 268 OH TYR A 17 8.656 2.507 2.753 1.00 0.00 O ATOM 0 H TYR A 17 6.414 3.835 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 17 7.918 1.349 -3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.178 2.171 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.755 0.516 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.926 3.923 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.766 -0.242 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.045 4.336 0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.883 0.168 1.863 1.00 0.00 H new ATOM 0 HH TYR A 17 8.769 1.659 3.231 1.00 0.00 H new ATOM 278 N ARG A 18 6.105 0.004 -4.741 1.00 0.00 N ATOM 279 CA ARG A 18 5.493 -0.626 -5.906 1.00 0.00 C ATOM 280 C ARG A 18 4.207 -1.365 -5.538 1.00 0.00 C ATOM 281 O ARG A 18 3.284 -1.454 -6.348 1.00 0.00 O ATOM 282 CB ARG A 18 6.481 -1.591 -6.572 1.00 0.00 C ATOM 283 CG ARG A 18 6.778 -2.836 -5.748 1.00 0.00 C ATOM 284 CD ARG A 18 6.412 -4.110 -6.495 1.00 0.00 C ATOM 285 NE ARG A 18 7.592 -4.907 -6.826 1.00 0.00 N ATOM 286 CZ ARG A 18 7.543 -6.079 -7.455 1.00 0.00 C ATOM 287 NH1 ARG A 18 6.377 -6.596 -7.822 1.00 0.00 N ATOM 288 NH2 ARG A 18 8.665 -6.736 -7.718 1.00 0.00 N ATOM 0 H ARG A 18 6.357 -0.643 -3.994 1.00 0.00 H new ATOM 0 HA ARG A 18 5.235 0.166 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.081 -1.895 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.415 -1.063 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.837 -2.857 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.223 -2.792 -4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.731 -4.705 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.879 -3.853 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 18 8.507 -4.543 -6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.511 -6.095 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.347 -7.495 -8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.564 -6.343 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.629 -7.634 -8.200 1.00 0.00 H new ATOM 302 N SER A 19 4.147 -1.900 -4.320 1.00 0.00 N ATOM 303 CA SER A 19 2.964 -2.632 -3.876 1.00 0.00 C ATOM 304 C SER A 19 2.797 -2.559 -2.361 1.00 0.00 C ATOM 305 O SER A 19 3.605 -1.944 -1.664 1.00 0.00 O ATOM 306 CB SER A 19 3.049 -4.094 -4.319 1.00 0.00 C ATOM 307 OG SER A 19 3.270 -4.192 -5.715 1.00 0.00 O ATOM 0 H SER A 19 4.896 -1.841 -3.630 1.00 0.00 H new ATOM 0 HA SER A 19 2.093 -2.164 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.857 -4.593 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.126 -4.611 -4.057 1.00 0.00 H new ATOM 0 HG SER A 19 3.322 -5.136 -5.972 1.00 0.00 H new ATOM 313 N GLY A 20 1.739 -3.193 -1.862 1.00 0.00 N ATOM 314 CA GLY A 20 1.474 -3.195 -0.435 1.00 0.00 C ATOM 315 C GLY A 20 0.141 -3.831 -0.096 1.00 0.00 C ATOM 316 O GLY A 20 -0.731 -3.955 -0.955 1.00 0.00 O ATOM 0 H GLY A 20 1.059 -3.706 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.271 -3.732 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.489 -2.170 -0.064 1.00 0.00 H new ATOM 320 N LYS A 21 -0.017 -4.238 1.160 1.00 0.00 N ATOM 321 CA LYS A 21 -1.254 -4.868 1.608 1.00 0.00 C ATOM 322 C LYS A 21 -1.549 -4.521 3.064 1.00 0.00 C ATOM 323 O LYS A 21 -0.714 -3.938 3.756 1.00 0.00 O ATOM 324 CB LYS A 21 -1.169 -6.388 1.445 1.00 0.00 C ATOM 325 CG LYS A 21 -0.431 -6.830 0.190 1.00 0.00 C ATOM 326 CD LYS A 21 -0.482 -8.339 0.017 1.00 0.00 C ATOM 327 CE LYS A 21 0.352 -9.051 1.071 1.00 0.00 C ATOM 328 NZ LYS A 21 -0.367 -10.217 1.654 1.00 0.00 N ATOM 0 H LYS A 21 0.695 -4.143 1.884 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.066 -4.487 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.669 -6.810 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.178 -6.799 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.872 -6.348 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.608 -6.504 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.516 -8.678 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.119 -8.605 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.289 -9.387 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.610 -8.350 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.235 -10.675 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.249 -9.893 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.591 -10.899 0.901 1.00 0.00 H new ATOM 342 N CYS A 22 -2.742 -4.886 3.523 1.00 0.00 N ATOM 343 CA CYS A 22 -3.150 -4.617 4.898 1.00 0.00 C ATOM 344 C CYS A 22 -3.164 -5.903 5.718 1.00 0.00 C ATOM 345 O CYS A 22 -4.188 -6.580 5.812 1.00 0.00 O ATOM 346 CB CYS A 22 -4.533 -3.962 4.925 1.00 0.00 C ATOM 347 SG CYS A 22 -4.683 -2.591 6.116 1.00 0.00 S ATOM 0 H CYS A 22 -3.444 -5.369 2.962 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.427 -3.932 5.340 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.767 -3.590 3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.278 -4.721 5.165 1.00 0.00 H new ATOM 352 N ILE A 23 -2.019 -6.237 6.305 1.00 0.00 N ATOM 353 CA ILE A 23 -1.895 -7.444 7.110 1.00 0.00 C ATOM 354 C ILE A 23 -1.909 -7.123 8.602 1.00 0.00 C ATOM 355 O ILE A 23 -1.287 -6.158 9.047 1.00 0.00 O ATOM 356 CB ILE A 23 -0.601 -8.211 6.768 1.00 0.00 C ATOM 357 CG1 ILE A 23 -0.592 -9.574 7.462 1.00 0.00 C ATOM 358 CG2 ILE A 23 0.626 -7.399 7.162 1.00 0.00 C ATOM 359 CD1 ILE A 23 -1.090 -10.701 6.585 1.00 0.00 C ATOM 0 H ILE A 23 -1.163 -5.687 6.237 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.756 -8.071 6.875 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.569 -8.372 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.423 -9.800 7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.211 -9.521 8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.528 -7.958 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.625 -6.452 6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.605 -7.205 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.056 -11.638 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.116 -10.498 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.457 -10.781 5.701 1.00 0.00 H new ATOM 371 N ASN A 24 -2.622 -7.942 9.372 1.00 0.00 N ATOM 372 CA ASN A 24 -2.717 -7.751 10.816 1.00 0.00 C ATOM 373 C ASN A 24 -3.136 -6.326 11.158 1.00 0.00 C ATOM 374 O ASN A 24 -2.567 -5.694 12.049 1.00 0.00 O ATOM 375 CB ASN A 24 -1.383 -8.068 11.481 1.00 0.00 C ATOM 376 CG ASN A 24 -1.144 -9.558 11.624 1.00 0.00 C ATOM 377 OD1 ASN A 24 -2.013 -10.296 12.088 1.00 0.00 O ATOM 378 ND2 ASN A 24 0.040 -10.008 11.225 1.00 0.00 N ATOM 0 H ASN A 24 -3.143 -8.745 9.019 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.479 -8.434 11.192 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.576 -7.629 10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.352 -7.602 12.466 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.259 -11.002 11.297 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.731 -9.360 10.846 1.00 0.00 H new ATOM 385 N ASN A 25 -4.133 -5.827 10.443 1.00 0.00 N ATOM 386 CA ASN A 25 -4.632 -4.475 10.663 1.00 0.00 C ATOM 387 C ASN A 25 -3.528 -3.446 10.438 1.00 0.00 C ATOM 388 O ASN A 25 -3.543 -2.365 11.028 1.00 0.00 O ATOM 389 CB ASN A 25 -5.194 -4.342 12.081 1.00 0.00 C ATOM 390 CG ASN A 25 -6.709 -4.279 12.098 1.00 0.00 C ATOM 391 OD1 ASN A 25 -7.314 -3.425 11.450 1.00 0.00 O ATOM 392 ND2 ASN A 25 -7.330 -5.186 12.843 1.00 0.00 N ATOM 0 H ASN A 25 -4.614 -6.338 9.703 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.430 -4.285 9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.861 -5.188 12.682 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.790 -3.443 12.546 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.349 -5.193 12.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.788 -5.876 13.364 1.00 0.00 H new ATOM 399 N ALA A 26 -2.571 -3.790 9.582 1.00 0.00 N ATOM 400 CA ALA A 26 -1.459 -2.898 9.277 1.00 0.00 C ATOM 401 C ALA A 26 -1.172 -2.876 7.781 1.00 0.00 C ATOM 402 O ALA A 26 -1.009 -3.923 7.154 1.00 0.00 O ATOM 403 CB ALA A 26 -0.218 -3.319 10.050 1.00 0.00 C ATOM 0 H ALA A 26 -2.544 -4.681 9.087 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.737 -1.889 9.582 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.605 -2.644 9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.424 -3.278 11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.056 -4.337 9.772 1.00 0.00 H new ATOM 409 N CYS A 27 -1.112 -1.677 7.213 1.00 0.00 N ATOM 410 CA CYS A 27 -0.847 -1.519 5.788 1.00 0.00 C ATOM 411 C CYS A 27 0.652 -1.463 5.514 1.00 0.00 C ATOM 412 O CYS A 27 1.301 -0.447 5.762 1.00 0.00 O ATOM 413 CB CYS A 27 -1.523 -0.253 5.261 1.00 0.00 C ATOM 414 SG CYS A 27 -1.956 -0.322 3.493 1.00 0.00 S ATOM 0 H CYS A 27 -1.243 -0.800 7.717 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.258 -2.385 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.429 -0.070 5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.861 0.596 5.429 1.00 0.00 H new ATOM 419 N LYS A 28 1.194 -2.561 5.000 1.00 0.00 N ATOM 420 CA LYS A 28 2.617 -2.639 4.689 1.00 0.00 C ATOM 421 C LYS A 28 2.842 -2.620 3.180 1.00 0.00 C ATOM 422 O LYS A 28 2.235 -3.397 2.442 1.00 0.00 O ATOM 423 CB LYS A 28 3.224 -3.907 5.296 1.00 0.00 C ATOM 424 CG LYS A 28 4.205 -3.631 6.425 1.00 0.00 C ATOM 425 CD LYS A 28 5.630 -3.983 6.029 1.00 0.00 C ATOM 426 CE LYS A 28 6.645 -3.321 6.947 1.00 0.00 C ATOM 427 NZ LYS A 28 7.783 -4.227 7.262 1.00 0.00 N ATOM 0 H LYS A 28 0.670 -3.410 4.790 1.00 0.00 H new ATOM 0 HA LYS A 28 3.110 -1.769 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.421 -4.541 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.733 -4.467 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.154 -2.578 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.919 -4.207 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.761 -5.065 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.810 -3.670 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.023 -2.414 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.155 -3.019 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.452 -3.738 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.426 -5.082 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.267 -4.495 6.382 1.00 0.00 H new ATOM 441 N CYS A 29 3.718 -1.729 2.728 1.00 0.00 N ATOM 442 CA CYS A 29 4.024 -1.611 1.306 1.00 0.00 C ATOM 443 C CYS A 29 5.495 -1.907 1.039 1.00 0.00 C ATOM 444 O CYS A 29 6.348 -1.692 1.901 1.00 0.00 O ATOM 445 CB CYS A 29 3.666 -0.213 0.788 1.00 0.00 C ATOM 446 SG CYS A 29 3.853 1.123 2.015 1.00 0.00 S ATOM 0 H CYS A 29 4.229 -1.078 3.325 1.00 0.00 H new ATOM 0 HA CYS A 29 3.421 -2.346 0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.294 0.013 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.634 -0.223 0.436 1.00 0.00 H new ATOM 451 N TYR A 30 5.786 -2.406 -0.159 1.00 0.00 N ATOM 452 CA TYR A 30 7.157 -2.736 -0.536 1.00 0.00 C ATOM 453 C TYR A 30 7.523 -2.104 -1.878 1.00 0.00 C ATOM 454 O TYR A 30 6.692 -2.026 -2.784 1.00 0.00 O ATOM 455 CB TYR A 30 7.339 -4.254 -0.612 1.00 0.00 C ATOM 456 CG TYR A 30 6.579 -5.017 0.451 1.00 0.00 C ATOM 457 CD1 TYR A 30 7.136 -5.240 1.705 1.00 0.00 C ATOM 458 CD2 TYR A 30 5.306 -5.514 0.200 1.00 0.00 C ATOM 459 CE1 TYR A 30 6.445 -5.938 2.678 1.00 0.00 C ATOM 460 CE2 TYR A 30 4.609 -6.212 1.169 1.00 0.00 C ATOM 461 CZ TYR A 30 5.183 -6.421 2.405 1.00 0.00 C ATOM 462 OH TYR A 30 4.492 -7.116 3.371 1.00 0.00 O ATOM 0 H TYR A 30 5.093 -2.590 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 30 7.821 -2.334 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.017 -4.600 -1.594 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.400 -4.488 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.124 -4.862 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.854 -5.353 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.892 -6.104 3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.620 -6.592 0.959 1.00 0.00 H new ATOM 0 HH TYR A 30 3.618 -7.386 3.018 1.00 0.00 H new ATOM 472 N PRO A 31 8.779 -1.640 -2.021 1.00 0.00 N ATOM 473 CA PRO A 31 9.257 -1.015 -3.250 1.00 0.00 C ATOM 474 C PRO A 31 9.782 -2.034 -4.256 1.00 0.00 C ATOM 475 O PRO A 31 9.858 -3.227 -3.964 1.00 0.00 O ATOM 476 CB PRO A 31 10.389 -0.127 -2.746 1.00 0.00 C ATOM 477 CG PRO A 31 10.962 -0.875 -1.588 1.00 0.00 C ATOM 478 CD PRO A 31 9.835 -1.686 -0.991 1.00 0.00 C ATOM 0 HA PRO A 31 8.469 -0.482 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.138 0.040 -3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.020 0.853 -2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.776 -1.524 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.376 -0.188 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.146 -2.710 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.492 -1.260 -0.048 1.00 0.00 H new ATOM 486 N TYR A 32 10.144 -1.554 -5.441 1.00 0.00 N ATOM 487 CA TYR A 32 10.662 -2.423 -6.491 1.00 0.00 C ATOM 488 C TYR A 32 12.014 -3.009 -6.094 1.00 0.00 C ATOM 489 O TYR A 32 13.005 -2.250 -6.078 1.00 0.00 O ATOM 490 CB TYR A 32 10.790 -1.647 -7.805 1.00 0.00 C ATOM 491 CG TYR A 32 10.031 -2.273 -8.953 1.00 0.00 C ATOM 492 CD1 TYR A 32 10.598 -3.286 -9.716 1.00 0.00 C ATOM 493 CD2 TYR A 32 8.747 -1.850 -9.274 1.00 0.00 C ATOM 494 CE1 TYR A 32 9.907 -3.860 -10.766 1.00 0.00 C ATOM 495 CE2 TYR A 32 8.050 -2.419 -10.323 1.00 0.00 C ATOM 496 CZ TYR A 32 8.634 -3.423 -11.065 1.00 0.00 C ATOM 497 OH TYR A 32 7.943 -3.992 -12.110 1.00 0.00 O ATOM 498 OXT TYR A 32 12.069 -4.222 -5.802 1.00 0.00 O ATOM 0 H TYR A 32 10.088 -0.569 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 32 9.960 -3.245 -6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.429 -0.630 -7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.844 -1.575 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.595 -3.631 -9.485 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.286 -1.064 -8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.362 -4.647 -11.349 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.053 -2.079 -10.560 1.00 0.00 H new ATOM 0 HH TYR A 32 7.061 -3.572 -12.187 1.00 0.00 H new TER 508 TYR A 32