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 Set 1.1: A 10 LYS NZ :NH3+ 146:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0471 (180deg=0) USER MOD Single : A 5 TYR OH : rot 97:sc= 1.24 USER MOD Single : A 7 THR OG1 : rot 178:sc= -2.68 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.138 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) 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 -15.043 3.658 9.047 1.00 0.00 N ATOM 2 CA ALA A 1 -13.997 3.576 7.995 1.00 0.00 C ATOM 3 C ALA A 1 -13.008 2.455 8.293 1.00 0.00 C ATOM 4 O ALA A 1 -12.825 2.066 9.447 1.00 0.00 O ATOM 5 CB ALA A 1 -13.268 4.905 7.873 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.964 3.394 8.642 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.806 3.008 9.823 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.092 4.630 9.413 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.486 3.353 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.504 4.831 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.979 5.687 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.797 5.150 8.825 1.00 0.00 H new ATOM 13 N VAL A 2 -12.372 1.938 7.247 1.00 0.00 N ATOM 14 CA VAL A 2 -11.401 0.860 7.400 1.00 0.00 C ATOM 15 C VAL A 2 -10.225 1.041 6.448 1.00 0.00 C ATOM 16 O VAL A 2 -10.270 1.863 5.534 1.00 0.00 O ATOM 17 CB VAL A 2 -12.031 -0.529 7.154 1.00 0.00 C ATOM 18 CG1 VAL A 2 -11.445 -1.555 8.112 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.548 -0.476 7.287 1.00 0.00 C ATOM 0 H VAL A 2 -12.511 2.247 6.285 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.051 0.908 8.431 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.795 -0.831 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.899 -2.528 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.368 -1.622 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.647 -1.251 9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.964 -1.468 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.814 -0.146 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.953 0.224 6.556 1.00 0.00 H new ATOM 29 N CYS A 3 -9.175 0.263 6.675 1.00 0.00 N ATOM 30 CA CYS A 3 -7.978 0.326 5.846 1.00 0.00 C ATOM 31 C CYS A 3 -8.302 0.004 4.390 1.00 0.00 C ATOM 32 O CYS A 3 -8.759 -1.093 4.073 1.00 0.00 O ATOM 33 CB CYS A 3 -6.924 -0.649 6.377 1.00 0.00 C ATOM 34 SG CYS A 3 -5.454 -0.831 5.311 1.00 0.00 S ATOM 0 H CYS A 3 -9.128 -0.422 7.429 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.585 1.342 5.890 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.602 -0.315 7.363 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.386 -1.628 6.507 1.00 0.00 H new ATOM 39 N VAL A 4 -8.052 0.967 3.510 1.00 0.00 N ATOM 40 CA VAL A 4 -8.306 0.784 2.087 1.00 0.00 C ATOM 41 C VAL A 4 -7.029 0.360 1.369 1.00 0.00 C ATOM 42 O VAL A 4 -6.061 1.117 1.304 1.00 0.00 O ATOM 43 CB VAL A 4 -8.851 2.071 1.440 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.465 1.767 0.081 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.868 2.743 2.352 1.00 0.00 C ATOM 0 H VAL A 4 -7.674 1.882 3.757 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.059 0.002 1.989 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.019 2.760 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.845 2.688 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.707 1.337 -0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.284 1.058 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.240 3.650 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.699 2.062 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.394 2.999 3.299 1.00 0.00 H new ATOM 55 N TYR A 5 -7.030 -0.861 0.848 1.00 0.00 N ATOM 56 CA TYR A 5 -5.869 -1.403 0.149 1.00 0.00 C ATOM 57 C TYR A 5 -5.403 -0.489 -0.982 1.00 0.00 C ATOM 58 O TYR A 5 -4.229 -0.127 -1.054 1.00 0.00 O ATOM 59 CB TYR A 5 -6.191 -2.786 -0.404 1.00 0.00 C ATOM 60 CG TYR A 5 -5.030 -3.446 -1.114 1.00 0.00 C ATOM 61 CD1 TYR A 5 -4.646 -3.037 -2.385 1.00 0.00 C ATOM 62 CD2 TYR A 5 -4.320 -4.477 -0.513 1.00 0.00 C ATOM 63 CE1 TYR A 5 -3.586 -3.637 -3.037 1.00 0.00 C ATOM 64 CE2 TYR A 5 -3.258 -5.082 -1.159 1.00 0.00 C ATOM 65 CZ TYR A 5 -2.896 -4.659 -2.420 1.00 0.00 C ATOM 66 OH TYR A 5 -1.840 -5.260 -3.067 1.00 0.00 O ATOM 0 H TYR A 5 -7.825 -1.498 0.896 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.057 -1.475 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.516 -3.428 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.029 -2.704 -1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.185 -2.237 -2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.602 -4.811 0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.299 -3.307 -4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.715 -5.882 -0.678 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.999 -4.859 -2.763 1.00 0.00 H new ATOM 76 N ARG A 6 -6.322 -0.134 -1.873 1.00 0.00 N ATOM 77 CA ARG A 6 -6.001 0.719 -3.012 1.00 0.00 C ATOM 78 C ARG A 6 -5.522 2.102 -2.577 1.00 0.00 C ATOM 79 O ARG A 6 -4.611 2.669 -3.183 1.00 0.00 O ATOM 80 CB ARG A 6 -7.220 0.858 -3.917 1.00 0.00 C ATOM 81 CG ARG A 6 -6.875 0.991 -5.392 1.00 0.00 C ATOM 82 CD ARG A 6 -7.266 2.356 -5.937 1.00 0.00 C ATOM 83 NE ARG A 6 -6.694 2.602 -7.259 1.00 0.00 N ATOM 84 CZ ARG A 6 -7.193 2.104 -8.387 1.00 0.00 C ATOM 85 NH1 ARG A 6 -8.272 1.331 -8.360 1.00 0.00 N ATOM 86 NH2 ARG A 6 -6.612 2.380 -9.547 1.00 0.00 N ATOM 0 H ARG A 6 -7.299 -0.425 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.186 0.243 -3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.864 -0.011 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.794 1.731 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.805 0.836 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.387 0.212 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.352 2.426 -5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.932 3.131 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.863 3.190 -7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.723 1.116 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.650 0.952 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.783 2.974 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.994 1.998 -10.412 1.00 0.00 H new ATOM 100 N THR A 7 -6.133 2.643 -1.529 1.00 0.00 N ATOM 101 CA THR A 7 -5.759 3.960 -1.031 1.00 0.00 C ATOM 102 C THR A 7 -4.405 3.897 -0.348 1.00 0.00 C ATOM 103 O THR A 7 -3.587 4.806 -0.475 1.00 0.00 O ATOM 104 CB THR A 7 -6.814 4.489 -0.059 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.114 4.109 -0.473 1.00 0.00 O ATOM 106 CG2 THR A 7 -6.798 5.996 0.079 1.00 0.00 C ATOM 0 H THR A 7 -6.886 2.192 -1.010 1.00 0.00 H new ATOM 0 HA THR A 7 -5.697 4.643 -1.878 1.00 0.00 H new ATOM 0 HB THR A 7 -6.563 4.049 0.906 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.772 4.428 0.180 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.571 6.305 0.783 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.823 6.317 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.989 6.452 -0.892 1.00 0.00 H new ATOM 114 N CYS A 8 -4.174 2.805 0.367 1.00 0.00 N ATOM 115 CA CYS A 8 -2.912 2.604 1.067 1.00 0.00 C ATOM 116 C CYS A 8 -1.786 2.366 0.068 1.00 0.00 C ATOM 117 O CYS A 8 -0.694 2.927 0.192 1.00 0.00 O ATOM 118 CB CYS A 8 -3.022 1.418 2.028 1.00 0.00 C ATOM 119 SG CYS A 8 -1.720 1.364 3.303 1.00 0.00 S ATOM 0 H CYS A 8 -4.844 2.044 0.478 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.687 3.502 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.994 1.452 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.988 0.494 1.451 1.00 0.00 H new ATOM 124 N ASP A 9 -2.068 1.536 -0.931 1.00 0.00 N ATOM 125 CA ASP A 9 -1.094 1.220 -1.965 1.00 0.00 C ATOM 126 C ASP A 9 -0.703 2.473 -2.737 1.00 0.00 C ATOM 127 O ASP A 9 0.477 2.728 -2.968 1.00 0.00 O ATOM 128 CB ASP A 9 -1.657 0.168 -2.922 1.00 0.00 C ATOM 129 CG ASP A 9 -0.782 -1.067 -3.006 1.00 0.00 C ATOM 130 OD1 ASP A 9 -0.594 -1.733 -1.967 1.00 0.00 O ATOM 131 OD2 ASP A 9 -0.285 -1.368 -4.112 1.00 0.00 O ATOM 0 H ASP A 9 -2.968 1.069 -1.045 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.203 0.818 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.656 -0.120 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.761 0.604 -3.916 1.00 0.00 H new ATOM 136 N LYS A 10 -1.704 3.252 -3.137 1.00 0.00 N ATOM 137 CA LYS A 10 -1.462 4.478 -3.885 1.00 0.00 C ATOM 138 C LYS A 10 -0.724 5.506 -3.033 1.00 0.00 C ATOM 139 O LYS A 10 0.181 6.188 -3.514 1.00 0.00 O ATOM 140 CB LYS A 10 -2.778 5.062 -4.393 1.00 0.00 C ATOM 141 CG LYS A 10 -2.871 5.130 -5.909 1.00 0.00 C ATOM 142 CD LYS A 10 -3.297 3.797 -6.501 1.00 0.00 C ATOM 143 CE LYS A 10 -3.381 3.861 -8.017 1.00 0.00 C ATOM 144 NZ LYS A 10 -2.961 2.581 -8.652 1.00 0.00 N ATOM 0 H LYS A 10 -2.688 3.055 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.833 4.230 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.603 4.459 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.902 6.065 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.585 5.902 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.905 5.420 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.587 3.024 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.267 3.510 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.403 4.095 -8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.750 4.671 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.521 2.421 -9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.952 2.631 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.116 1.796 -7.987 1.00 0.00 H new ATOM 158 N ASP A 11 -1.112 5.612 -1.765 1.00 0.00 N ATOM 159 CA ASP A 11 -0.480 6.557 -0.853 1.00 0.00 C ATOM 160 C ASP A 11 1.013 6.283 -0.739 1.00 0.00 C ATOM 161 O ASP A 11 1.836 7.184 -0.901 1.00 0.00 O ATOM 162 CB ASP A 11 -1.127 6.476 0.527 1.00 0.00 C ATOM 163 CG ASP A 11 -1.273 7.837 1.181 1.00 0.00 C ATOM 164 OD1 ASP A 11 -1.822 8.752 0.532 1.00 0.00 O ATOM 165 OD2 ASP A 11 -0.838 7.987 2.342 1.00 0.00 O ATOM 0 H ASP A 11 -1.859 5.056 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.620 7.560 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.109 6.012 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.527 5.831 1.169 1.00 0.00 H new ATOM 170 N CYS A 12 1.356 5.031 -0.456 1.00 0.00 N ATOM 171 CA CYS A 12 2.752 4.640 -0.316 1.00 0.00 C ATOM 172 C CYS A 12 3.457 4.613 -1.670 1.00 0.00 C ATOM 173 O CYS A 12 4.600 5.055 -1.793 1.00 0.00 O ATOM 174 CB CYS A 12 2.855 3.269 0.353 1.00 0.00 C ATOM 175 SG CYS A 12 4.499 2.907 1.052 1.00 0.00 S ATOM 0 H CYS A 12 0.688 4.272 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 12 3.246 5.383 0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.112 3.207 1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.605 2.500 -0.378 1.00 0.00 H new ATOM 180 N LYS A 13 2.772 4.094 -2.685 1.00 0.00 N ATOM 181 CA LYS A 13 3.341 4.011 -4.027 1.00 0.00 C ATOM 182 C LYS A 13 3.803 5.381 -4.513 1.00 0.00 C ATOM 183 O LYS A 13 4.864 5.508 -5.124 1.00 0.00 O ATOM 184 CB LYS A 13 2.321 3.428 -5.007 1.00 0.00 C ATOM 185 CG LYS A 13 2.318 1.907 -5.048 1.00 0.00 C ATOM 186 CD LYS A 13 0.920 1.356 -5.289 1.00 0.00 C ATOM 187 CE LYS A 13 0.782 0.765 -6.684 1.00 0.00 C ATOM 188 NZ LYS A 13 -0.005 1.649 -7.587 1.00 0.00 N ATOM 0 H LYS A 13 1.824 3.725 -2.604 1.00 0.00 H new ATOM 0 HA LYS A 13 4.207 3.351 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.326 3.778 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.530 3.810 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.987 1.562 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.707 1.516 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.697 0.591 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.187 2.152 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.773 0.602 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.299 -0.210 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.076 1.210 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.959 1.784 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.469 2.571 -7.670 1.00 0.00 H new ATOM 202 N ARG A 14 3.002 6.403 -4.235 1.00 0.00 N ATOM 203 CA ARG A 14 3.333 7.763 -4.644 1.00 0.00 C ATOM 204 C ARG A 14 4.586 8.261 -3.928 1.00 0.00 C ATOM 205 O ARG A 14 5.263 9.170 -4.407 1.00 0.00 O ATOM 206 CB ARG A 14 2.158 8.703 -4.364 1.00 0.00 C ATOM 207 CG ARG A 14 1.444 9.175 -5.621 1.00 0.00 C ATOM 208 CD ARG A 14 2.306 10.133 -6.429 1.00 0.00 C ATOM 209 NE ARG A 14 1.572 11.333 -6.821 1.00 0.00 N ATOM 210 CZ ARG A 14 1.302 12.341 -5.995 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.705 12.298 -4.731 1.00 0.00 N ATOM 212 NH2 ARG A 14 0.629 13.396 -6.433 1.00 0.00 N ATOM 0 H ARG A 14 2.121 6.316 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 14 3.533 7.754 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.442 8.194 -3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.521 9.571 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.182 8.314 -6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.511 9.667 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.179 10.418 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.673 9.625 -7.321 1.00 0.00 H new ATOM 0 HE ARG A 14 1.247 11.403 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.224 11.490 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.495 13.073 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.318 13.435 -7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.422 14.168 -5.799 1.00 0.00 H new ATOM 226 N ARG A 15 4.891 7.661 -2.781 1.00 0.00 N ATOM 227 CA ARG A 15 6.064 8.049 -2.007 1.00 0.00 C ATOM 228 C ARG A 15 7.339 7.524 -2.658 1.00 0.00 C ATOM 229 O ARG A 15 8.264 8.286 -2.940 1.00 0.00 O ATOM 230 CB ARG A 15 5.954 7.522 -0.575 1.00 0.00 C ATOM 231 CG ARG A 15 6.625 8.417 0.456 1.00 0.00 C ATOM 232 CD ARG A 15 5.742 8.624 1.677 1.00 0.00 C ATOM 233 NE ARG A 15 5.803 9.998 2.170 1.00 0.00 N ATOM 234 CZ ARG A 15 5.331 10.383 3.353 1.00 0.00 C ATOM 235 NH1 ARG A 15 4.763 9.502 4.167 1.00 0.00 N ATOM 236 NH2 ARG A 15 5.429 11.652 3.724 1.00 0.00 N ATOM 0 H ARG A 15 4.343 6.906 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 15 6.110 9.138 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.901 7.411 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.400 6.529 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.572 7.973 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.856 9.382 0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.711 8.375 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.051 7.941 2.468 1.00 0.00 H new ATOM 0 HE ARG A 15 6.233 10.704 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.687 8.524 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.403 9.803 5.073 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.866 12.333 3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.067 11.948 4.631 1.00 0.00 H new ATOM 250 N GLY A 16 7.380 6.217 -2.894 1.00 0.00 N ATOM 251 CA GLY A 16 8.541 5.609 -3.509 1.00 0.00 C ATOM 252 C GLY A 16 8.478 4.095 -3.493 1.00 0.00 C ATOM 253 O GLY A 16 9.479 3.429 -3.229 1.00 0.00 O ATOM 0 H GLY A 16 6.626 5.568 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.626 5.955 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.439 5.938 -2.987 1.00 0.00 H new ATOM 257 N TYR A 17 7.299 3.550 -3.772 1.00 0.00 N ATOM 258 CA TYR A 17 7.112 2.104 -3.785 1.00 0.00 C ATOM 259 C TYR A 17 6.394 1.655 -5.054 1.00 0.00 C ATOM 260 O TYR A 17 6.014 2.477 -5.887 1.00 0.00 O ATOM 261 CB TYR A 17 6.323 1.662 -2.552 1.00 0.00 C ATOM 262 CG TYR A 17 7.031 1.951 -1.248 1.00 0.00 C ATOM 263 CD1 TYR A 17 7.095 3.244 -0.742 1.00 0.00 C ATOM 264 CD2 TYR A 17 7.638 0.932 -0.523 1.00 0.00 C ATOM 265 CE1 TYR A 17 7.743 3.512 0.449 1.00 0.00 C ATOM 266 CE2 TYR A 17 8.287 1.193 0.669 1.00 0.00 C ATOM 267 CZ TYR A 17 8.336 2.484 1.150 1.00 0.00 C ATOM 268 OH TYR A 17 8.982 2.748 2.336 1.00 0.00 O ATOM 0 H TYR A 17 6.460 4.087 -3.992 1.00 0.00 H new ATOM 0 HA TYR A 17 8.096 1.636 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.356 2.164 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.127 0.592 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.631 4.052 -1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.602 -0.080 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.785 4.522 0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.753 0.390 1.221 1.00 0.00 H new ATOM 0 HH TYR A 17 9.344 1.915 2.704 1.00 0.00 H new ATOM 278 N ARG A 18 6.217 0.344 -5.196 1.00 0.00 N ATOM 279 CA ARG A 18 5.550 -0.212 -6.368 1.00 0.00 C ATOM 280 C ARG A 18 4.353 -1.075 -5.971 1.00 0.00 C ATOM 281 O ARG A 18 3.318 -1.054 -6.637 1.00 0.00 O ATOM 282 CB ARG A 18 6.538 -1.038 -7.196 1.00 0.00 C ATOM 283 CG ARG A 18 6.553 -0.669 -8.670 1.00 0.00 C ATOM 284 CD ARG A 18 5.345 -1.234 -9.401 1.00 0.00 C ATOM 285 NE ARG A 18 5.708 -1.815 -10.691 1.00 0.00 N ATOM 286 CZ ARG A 18 6.249 -3.023 -10.835 1.00 0.00 C ATOM 287 NH1 ARG A 18 6.496 -3.778 -9.772 1.00 0.00 N ATOM 288 NH2 ARG A 18 6.543 -3.478 -12.045 1.00 0.00 N ATOM 0 H ARG A 18 6.525 -0.351 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 18 5.183 0.620 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.540 -0.908 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.288 -2.094 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.567 0.416 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.466 -1.045 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.870 -1.995 -8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.611 -0.443 -9.553 1.00 0.00 H new ATOM 0 HE ARG A 18 5.537 -1.263 -11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.271 -3.434 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.911 -4.703 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.355 -2.903 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.957 -4.403 -12.155 1.00 0.00 H new ATOM 302 N SER A 19 4.498 -1.837 -4.890 1.00 0.00 N ATOM 303 CA SER A 19 3.422 -2.706 -4.424 1.00 0.00 C ATOM 304 C SER A 19 3.160 -2.510 -2.935 1.00 0.00 C ATOM 305 O SER A 19 3.707 -1.600 -2.312 1.00 0.00 O ATOM 306 CB SER A 19 3.766 -4.170 -4.702 1.00 0.00 C ATOM 307 OG SER A 19 2.651 -5.011 -4.461 1.00 0.00 O ATOM 0 H SER A 19 5.345 -1.870 -4.323 1.00 0.00 H new ATOM 0 HA SER A 19 2.517 -2.439 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.092 -4.280 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.600 -4.477 -4.071 1.00 0.00 H new ATOM 0 HG SER A 19 2.897 -5.941 -4.648 1.00 0.00 H new ATOM 313 N GLY A 20 2.319 -3.371 -2.371 1.00 0.00 N ATOM 314 CA GLY A 20 1.997 -3.278 -0.960 1.00 0.00 C ATOM 315 C GLY A 20 0.748 -4.052 -0.593 1.00 0.00 C ATOM 316 O GLY A 20 -0.048 -4.411 -1.462 1.00 0.00 O ATOM 0 H GLY A 20 1.855 -4.132 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.837 -3.653 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.863 -2.230 -0.691 1.00 0.00 H new ATOM 320 N LYS A 21 0.576 -4.311 0.698 1.00 0.00 N ATOM 321 CA LYS A 21 -0.584 -5.049 1.184 1.00 0.00 C ATOM 322 C LYS A 21 -1.019 -4.538 2.553 1.00 0.00 C ATOM 323 O LYS A 21 -0.185 -4.232 3.407 1.00 0.00 O ATOM 324 CB LYS A 21 -0.267 -6.543 1.264 1.00 0.00 C ATOM 325 CG LYS A 21 -0.175 -7.221 -0.093 1.00 0.00 C ATOM 326 CD LYS A 21 -0.061 -8.730 0.046 1.00 0.00 C ATOM 327 CE LYS A 21 0.136 -9.402 -1.303 1.00 0.00 C ATOM 328 NZ LYS A 21 -1.128 -9.999 -1.816 1.00 0.00 N ATOM 0 H LYS A 21 1.226 -4.020 1.428 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.402 -4.894 0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.677 -6.677 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.037 -7.038 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.057 -6.974 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.690 -6.838 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.776 -8.974 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.961 -9.121 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.510 -8.672 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.895 -10.180 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.951 -10.447 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.472 -10.714 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.845 -9.253 -1.926 1.00 0.00 H new ATOM 342 N CYS A 22 -2.329 -4.449 2.758 1.00 0.00 N ATOM 343 CA CYS A 22 -2.872 -3.977 4.027 1.00 0.00 C ATOM 344 C CYS A 22 -3.220 -5.152 4.936 1.00 0.00 C ATOM 345 O CYS A 22 -4.103 -5.951 4.625 1.00 0.00 O ATOM 346 CB CYS A 22 -4.113 -3.106 3.788 1.00 0.00 C ATOM 347 SG CYS A 22 -5.144 -2.837 5.271 1.00 0.00 S ATOM 0 H CYS A 22 -3.033 -4.697 2.063 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.110 -3.373 4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.793 -2.138 3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.725 -3.571 3.015 1.00 0.00 H new ATOM 352 N ILE A 23 -2.528 -5.244 6.066 1.00 0.00 N ATOM 353 CA ILE A 23 -2.774 -6.313 7.024 1.00 0.00 C ATOM 354 C ILE A 23 -3.879 -5.916 7.995 1.00 0.00 C ATOM 355 O ILE A 23 -4.126 -4.729 8.215 1.00 0.00 O ATOM 356 CB ILE A 23 -1.506 -6.673 7.821 1.00 0.00 C ATOM 357 CG1 ILE A 23 -0.316 -6.848 6.876 1.00 0.00 C ATOM 358 CG2 ILE A 23 -1.733 -7.940 8.633 1.00 0.00 C ATOM 359 CD1 ILE A 23 1.023 -6.838 7.581 1.00 0.00 C ATOM 0 H ILE A 23 -1.793 -4.592 6.340 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.081 -7.189 6.452 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.284 -5.857 8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.426 -7.789 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.332 -6.051 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.828 -8.182 9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.557 -7.783 9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.976 -8.764 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.820 -6.967 6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.155 -5.887 8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.059 -7.653 8.304 1.00 0.00 H new ATOM 371 N ASN A 24 -4.543 -6.917 8.570 1.00 0.00 N ATOM 372 CA ASN A 24 -5.636 -6.688 9.515 1.00 0.00 C ATOM 373 C ASN A 24 -5.335 -5.553 10.488 1.00 0.00 C ATOM 374 O ASN A 24 -6.246 -4.903 11.000 1.00 0.00 O ATOM 375 CB ASN A 24 -5.945 -7.969 10.289 1.00 0.00 C ATOM 376 CG ASN A 24 -6.628 -9.013 9.428 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.094 -10.101 9.209 1.00 0.00 O ATOM 378 ND2 ASN A 24 -7.817 -8.687 8.933 1.00 0.00 N ATOM 0 H ASN A 24 -4.342 -7.902 8.397 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.507 -6.394 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.019 -8.381 10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.582 -7.731 11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.324 -9.349 8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.223 -7.774 9.140 1.00 0.00 H new ATOM 385 N ASN A 25 -4.060 -5.322 10.736 1.00 0.00 N ATOM 386 CA ASN A 25 -3.642 -4.264 11.647 1.00 0.00 C ATOM 387 C ASN A 25 -2.251 -3.743 11.295 1.00 0.00 C ATOM 388 O ASN A 25 -1.472 -3.391 12.181 1.00 0.00 O ATOM 389 CB ASN A 25 -3.660 -4.772 13.091 1.00 0.00 C ATOM 390 CG ASN A 25 -4.438 -3.858 14.017 1.00 0.00 C ATOM 391 OD1 ASN A 25 -3.917 -2.849 14.494 1.00 0.00 O ATOM 392 ND2 ASN A 25 -5.692 -4.207 14.277 1.00 0.00 N ATOM 0 H ASN A 25 -3.293 -5.851 10.321 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.347 -3.439 11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.099 -5.769 13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.636 -4.865 13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.264 -3.631 14.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.083 -5.052 13.860 1.00 0.00 H new ATOM 399 N ALA A 26 -1.938 -3.691 10.001 1.00 0.00 N ATOM 400 CA ALA A 26 -0.632 -3.207 9.563 1.00 0.00 C ATOM 401 C ALA A 26 -0.530 -3.141 8.042 1.00 0.00 C ATOM 402 O ALA A 26 -0.502 -4.168 7.367 1.00 0.00 O ATOM 403 CB ALA A 26 0.466 -4.097 10.123 1.00 0.00 C ATOM 0 H ALA A 26 -2.563 -3.975 9.247 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.510 -2.193 9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.437 -3.729 9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.425 -4.083 11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.324 -5.118 9.767 1.00 0.00 H new ATOM 409 N CYS A 27 -0.459 -1.925 7.507 1.00 0.00 N ATOM 410 CA CYS A 27 -0.345 -1.732 6.065 1.00 0.00 C ATOM 411 C CYS A 27 1.110 -1.513 5.665 1.00 0.00 C ATOM 412 O CYS A 27 1.743 -0.549 6.095 1.00 0.00 O ATOM 413 CB CYS A 27 -1.196 -0.542 5.613 1.00 0.00 C ATOM 414 SG CYS A 27 -1.661 -0.591 3.850 1.00 0.00 S ATOM 0 H CYS A 27 -0.478 -1.061 8.049 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.711 -2.633 5.573 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.103 -0.507 6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.647 0.379 5.808 1.00 0.00 H new ATOM 419 N LYS A 28 1.637 -2.416 4.844 1.00 0.00 N ATOM 420 CA LYS A 28 3.020 -2.322 4.393 1.00 0.00 C ATOM 421 C LYS A 28 3.095 -2.223 2.872 1.00 0.00 C ATOM 422 O LYS A 28 2.157 -2.598 2.168 1.00 0.00 O ATOM 423 CB LYS A 28 3.826 -3.533 4.876 1.00 0.00 C ATOM 424 CG LYS A 28 2.979 -4.761 5.176 1.00 0.00 C ATOM 425 CD LYS A 28 3.825 -5.898 5.726 1.00 0.00 C ATOM 426 CE LYS A 28 4.121 -5.707 7.205 1.00 0.00 C ATOM 427 NZ LYS A 28 4.740 -6.918 7.809 1.00 0.00 N ATOM 0 H LYS A 28 1.127 -3.220 4.478 1.00 0.00 H new ATOM 0 HA LYS A 28 3.449 -1.416 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.565 -3.791 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.376 -3.255 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.203 -4.502 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.475 -5.088 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.305 -6.845 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.761 -5.958 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.789 -4.855 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.197 -5.470 7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.926 -6.746 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.092 -7.726 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.635 -7.129 7.323 1.00 0.00 H new ATOM 441 N CYS A 29 4.217 -1.715 2.374 1.00 0.00 N ATOM 442 CA CYS A 29 4.421 -1.564 0.938 1.00 0.00 C ATOM 443 C CYS A 29 5.721 -2.233 0.504 1.00 0.00 C ATOM 444 O CYS A 29 6.582 -2.533 1.331 1.00 0.00 O ATOM 445 CB CYS A 29 4.432 -0.084 0.537 1.00 0.00 C ATOM 446 SG CYS A 29 4.268 1.090 1.926 1.00 0.00 S ATOM 0 H CYS A 29 5.001 -1.400 2.945 1.00 0.00 H new ATOM 0 HA CYS A 29 3.589 -2.053 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.362 0.128 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.619 0.093 -0.167 1.00 0.00 H new ATOM 451 N TYR A 30 5.857 -2.468 -0.798 1.00 0.00 N ATOM 452 CA TYR A 30 7.053 -3.104 -1.337 1.00 0.00 C ATOM 453 C TYR A 30 7.706 -2.225 -2.403 1.00 0.00 C ATOM 454 O TYR A 30 7.111 -1.965 -3.449 1.00 0.00 O ATOM 455 CB TYR A 30 6.701 -4.469 -1.932 1.00 0.00 C ATOM 456 CG TYR A 30 5.851 -5.324 -1.019 1.00 0.00 C ATOM 457 CD1 TYR A 30 6.395 -5.918 0.112 1.00 0.00 C ATOM 458 CD2 TYR A 30 4.504 -5.534 -1.288 1.00 0.00 C ATOM 459 CE1 TYR A 30 5.621 -6.699 0.950 1.00 0.00 C ATOM 460 CE2 TYR A 30 3.723 -6.312 -0.454 1.00 0.00 C ATOM 461 CZ TYR A 30 4.287 -6.892 0.662 1.00 0.00 C ATOM 462 OH TYR A 30 3.513 -7.668 1.495 1.00 0.00 O ATOM 0 H TYR A 30 5.155 -2.228 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 30 7.763 -3.240 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.173 -4.321 -2.874 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.622 -5.004 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.440 -5.767 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.060 -5.082 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.059 -7.155 1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.677 -6.465 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 30 2.596 -7.702 1.151 1.00 0.00 H new ATOM 472 N PRO A 31 8.943 -1.752 -2.155 1.00 0.00 N ATOM 473 CA PRO A 31 9.662 -0.900 -3.107 1.00 0.00 C ATOM 474 C PRO A 31 9.910 -1.606 -4.439 1.00 0.00 C ATOM 475 O PRO A 31 9.207 -1.361 -5.419 1.00 0.00 O ATOM 476 CB PRO A 31 10.987 -0.589 -2.399 1.00 0.00 C ATOM 477 CG PRO A 31 11.129 -1.639 -1.351 1.00 0.00 C ATOM 478 CD PRO A 31 9.733 -2.007 -0.938 1.00 0.00 C ATOM 0 HA PRO A 31 9.092 -0.006 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.822 -0.616 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.973 0.408 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.662 -2.507 -1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.701 -1.267 -0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.667 -3.049 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.388 -1.401 -0.100 1.00 0.00 H new ATOM 486 N TYR A 32 10.911 -2.481 -4.472 1.00 0.00 N ATOM 487 CA TYR A 32 11.243 -3.215 -5.684 1.00 0.00 C ATOM 488 C TYR A 32 11.664 -4.644 -5.358 1.00 0.00 C ATOM 489 O TYR A 32 12.549 -4.817 -4.493 1.00 0.00 O ATOM 490 CB TYR A 32 12.359 -2.496 -6.441 1.00 0.00 C ATOM 491 CG TYR A 32 11.892 -1.830 -7.715 1.00 0.00 C ATOM 492 CD1 TYR A 32 11.697 -2.568 -8.875 1.00 0.00 C ATOM 493 CD2 TYR A 32 11.643 -0.464 -7.756 1.00 0.00 C ATOM 494 CE1 TYR A 32 11.267 -1.964 -10.041 1.00 0.00 C ATOM 495 CE2 TYR A 32 11.213 0.148 -8.918 1.00 0.00 C ATOM 496 CZ TYR A 32 11.026 -0.606 -10.057 1.00 0.00 C ATOM 497 OH TYR A 32 10.597 0.000 -11.215 1.00 0.00 O ATOM 498 OXT TYR A 32 11.104 -5.579 -5.968 1.00 0.00 O ATOM 0 H TYR A 32 11.505 -2.697 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 32 10.354 -3.258 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 32 12.803 -1.744 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.144 -3.213 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.885 -3.632 -8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.788 0.129 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.120 -2.552 -10.935 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.024 1.211 -8.934 1.00 0.00 H new ATOM 0 HH TYR A 32 10.473 0.959 -11.056 1.00 0.00 H new TER 508 TYR A 32