USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 133:sc= 1.27 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.305 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 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,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 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.374 3.800 9.690 1.00 0.00 N ATOM 2 CA ALA A 1 -12.715 3.702 8.362 1.00 0.00 C ATOM 3 C ALA A 1 -11.655 2.606 8.356 1.00 0.00 C ATOM 4 O ALA A 1 -10.516 2.827 8.765 1.00 0.00 O ATOM 5 CB ALA A 1 -12.093 5.038 7.982 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.091 4.553 9.667 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.831 2.894 9.919 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.662 4.022 10.415 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.475 3.443 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.614 4.952 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.870 5.802 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.350 5.319 8.728 1.00 0.00 H new ATOM 13 N VAL A 2 -12.040 1.421 7.891 1.00 0.00 N ATOM 14 CA VAL A 2 -11.135 0.291 7.831 1.00 0.00 C ATOM 15 C VAL A 2 -9.990 0.548 6.856 1.00 0.00 C ATOM 16 O VAL A 2 -10.057 1.459 6.031 1.00 0.00 O ATOM 17 CB VAL A 2 -11.883 -0.982 7.405 1.00 0.00 C ATOM 18 CG1 VAL A 2 -12.675 -1.555 8.570 1.00 0.00 C ATOM 19 CG2 VAL A 2 -12.792 -0.704 6.216 1.00 0.00 C ATOM 0 H VAL A 2 -12.981 1.224 7.549 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.723 0.154 8.831 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.145 -1.723 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.197 -2.456 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.995 -1.802 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.401 -0.818 8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.311 -1.620 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.523 0.058 6.487 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.194 -0.351 5.376 1.00 0.00 H new ATOM 29 N CYS A 3 -8.941 -0.262 6.958 1.00 0.00 N ATOM 30 CA CYS A 3 -7.778 -0.127 6.088 1.00 0.00 C ATOM 31 C CYS A 3 -8.184 -0.207 4.619 1.00 0.00 C ATOM 32 O CYS A 3 -8.724 -1.216 4.167 1.00 0.00 O ATOM 33 CB CYS A 3 -6.753 -1.217 6.413 1.00 0.00 C ATOM 34 SG CYS A 3 -5.351 -1.314 5.248 1.00 0.00 S ATOM 0 H CYS A 3 -8.873 -1.021 7.636 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.329 0.850 6.263 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.363 -1.043 7.416 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.261 -2.181 6.431 1.00 0.00 H new ATOM 39 N VAL A 4 -7.917 0.864 3.879 1.00 0.00 N ATOM 40 CA VAL A 4 -8.250 0.915 2.460 1.00 0.00 C ATOM 41 C VAL A 4 -7.035 0.576 1.604 1.00 0.00 C ATOM 42 O VAL A 4 -6.092 1.361 1.507 1.00 0.00 O ATOM 43 CB VAL A 4 -8.781 2.303 2.053 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.405 2.250 0.668 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.782 2.817 3.077 1.00 0.00 C ATOM 0 H VAL A 4 -7.471 1.708 4.238 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.033 0.175 2.291 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.941 2.997 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.775 3.239 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.656 1.932 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.233 1.541 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.145 3.798 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.621 2.125 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.298 2.897 4.050 1.00 0.00 H new ATOM 55 N TYR A 5 -7.062 -0.602 0.990 1.00 0.00 N ATOM 56 CA TYR A 5 -5.962 -1.053 0.146 1.00 0.00 C ATOM 57 C TYR A 5 -5.722 -0.094 -1.016 1.00 0.00 C ATOM 58 O TYR A 5 -4.579 0.168 -1.388 1.00 0.00 O ATOM 59 CB TYR A 5 -6.247 -2.452 -0.389 1.00 0.00 C ATOM 60 CG TYR A 5 -5.018 -3.171 -0.896 1.00 0.00 C ATOM 61 CD1 TYR A 5 -4.381 -2.760 -2.061 1.00 0.00 C ATOM 62 CD2 TYR A 5 -4.494 -4.259 -0.211 1.00 0.00 C ATOM 63 CE1 TYR A 5 -3.258 -3.415 -2.529 1.00 0.00 C ATOM 64 CE2 TYR A 5 -3.370 -4.919 -0.672 1.00 0.00 C ATOM 65 CZ TYR A 5 -2.756 -4.493 -1.831 1.00 0.00 C ATOM 66 OH TYR A 5 -1.638 -5.148 -2.294 1.00 0.00 O ATOM 0 H TYR A 5 -7.836 -1.263 1.061 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.061 -1.076 0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.705 -3.047 0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.975 -2.381 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.770 -1.915 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.972 -4.595 0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.776 -3.084 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.975 -5.764 -0.127 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.009 -5.284 -1.555 1.00 0.00 H new ATOM 76 N ARG A 6 -6.803 0.420 -1.591 1.00 0.00 N ATOM 77 CA ARG A 6 -6.704 1.339 -2.717 1.00 0.00 C ATOM 78 C ARG A 6 -6.069 2.665 -2.306 1.00 0.00 C ATOM 79 O ARG A 6 -5.244 3.220 -3.034 1.00 0.00 O ATOM 80 CB ARG A 6 -8.085 1.590 -3.316 1.00 0.00 C ATOM 81 CG ARG A 6 -8.066 1.813 -4.820 1.00 0.00 C ATOM 82 CD ARG A 6 -8.018 0.496 -5.580 1.00 0.00 C ATOM 83 NE ARG A 6 -9.296 0.183 -6.214 1.00 0.00 N ATOM 84 CZ ARG A 6 -9.714 0.735 -7.351 1.00 0.00 C ATOM 85 NH1 ARG A 6 -8.960 1.628 -7.979 1.00 0.00 N ATOM 86 NH2 ARG A 6 -10.890 0.394 -7.860 1.00 0.00 N ATOM 0 H ARG A 6 -7.758 0.216 -1.296 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.062 0.875 -3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.729 0.740 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.528 2.461 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.953 2.373 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.201 2.420 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.238 0.544 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.746 -0.308 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.904 -0.498 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.055 1.895 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.285 2.048 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.474 -0.291 -7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.211 0.817 -8.731 1.00 0.00 H new ATOM 100 N THR A 7 -6.448 3.166 -1.134 1.00 0.00 N ATOM 101 CA THR A 7 -5.906 4.423 -0.637 1.00 0.00 C ATOM 102 C THR A 7 -4.474 4.227 -0.173 1.00 0.00 C ATOM 103 O THR A 7 -3.605 5.061 -0.423 1.00 0.00 O ATOM 104 CB THR A 7 -6.761 4.959 0.511 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.132 4.961 0.159 1.00 0.00 O ATOM 106 CG2 THR A 7 -6.391 6.367 0.926 1.00 0.00 C ATOM 0 H THR A 7 -7.125 2.722 -0.514 1.00 0.00 H new ATOM 0 HA THR A 7 -5.919 5.151 -1.448 1.00 0.00 H new ATOM 0 HB THR A 7 -6.571 4.288 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.662 5.306 0.908 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.036 6.686 1.745 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.352 6.389 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.519 7.041 0.079 1.00 0.00 H new ATOM 114 N CYS A 8 -4.236 3.107 0.494 1.00 0.00 N ATOM 115 CA CYS A 8 -2.904 2.782 0.988 1.00 0.00 C ATOM 116 C CYS A 8 -1.971 2.475 -0.176 1.00 0.00 C ATOM 117 O CYS A 8 -0.797 2.850 -0.166 1.00 0.00 O ATOM 118 CB CYS A 8 -2.966 1.587 1.941 1.00 0.00 C ATOM 119 SG CYS A 8 -1.484 1.389 2.984 1.00 0.00 S ATOM 0 H CYS A 8 -4.947 2.407 0.706 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.516 3.643 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.839 1.695 2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.111 0.678 1.358 1.00 0.00 H new ATOM 124 N ASP A 9 -2.507 1.795 -1.184 1.00 0.00 N ATOM 125 CA ASP A 9 -1.736 1.437 -2.364 1.00 0.00 C ATOM 126 C ASP A 9 -1.329 2.682 -3.141 1.00 0.00 C ATOM 127 O ASP A 9 -0.156 2.866 -3.461 1.00 0.00 O ATOM 128 CB ASP A 9 -2.544 0.502 -3.266 1.00 0.00 C ATOM 129 CG ASP A 9 -1.733 -0.017 -4.437 1.00 0.00 C ATOM 130 OD1 ASP A 9 -0.558 -0.387 -4.228 1.00 0.00 O ATOM 131 OD2 ASP A 9 -2.273 -0.056 -5.563 1.00 0.00 O ATOM 0 H ASP A 9 -3.477 1.481 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.834 0.921 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.908 -0.341 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.420 1.031 -3.641 1.00 0.00 H new ATOM 136 N LYS A 10 -2.306 3.533 -3.441 1.00 0.00 N ATOM 137 CA LYS A 10 -2.050 4.763 -4.183 1.00 0.00 C ATOM 138 C LYS A 10 -1.080 5.668 -3.429 1.00 0.00 C ATOM 139 O LYS A 10 -0.061 6.101 -3.976 1.00 0.00 O ATOM 140 CB LYS A 10 -3.360 5.502 -4.449 1.00 0.00 C ATOM 141 CG LYS A 10 -3.682 5.657 -5.927 1.00 0.00 C ATOM 142 CD LYS A 10 -5.177 5.559 -6.184 1.00 0.00 C ATOM 143 CE LYS A 10 -5.859 6.909 -6.034 1.00 0.00 C ATOM 144 NZ LYS A 10 -6.567 7.032 -4.730 1.00 0.00 N ATOM 0 H LYS A 10 -3.282 3.393 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.593 4.494 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.175 4.966 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.310 6.490 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.313 6.619 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.162 4.886 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.350 5.173 -7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.621 4.847 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.116 7.702 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.570 7.049 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.019 7.967 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.293 6.291 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.884 6.924 -3.953 1.00 0.00 H new ATOM 158 N ASP A 11 -1.398 5.947 -2.168 1.00 0.00 N ATOM 159 CA ASP A 11 -0.555 6.795 -1.337 1.00 0.00 C ATOM 160 C ASP A 11 0.873 6.274 -1.320 1.00 0.00 C ATOM 161 O ASP A 11 1.826 7.028 -1.521 1.00 0.00 O ATOM 162 CB ASP A 11 -1.104 6.850 0.085 1.00 0.00 C ATOM 163 CG ASP A 11 -0.987 8.230 0.701 1.00 0.00 C ATOM 164 OD1 ASP A 11 -1.370 9.213 0.033 1.00 0.00 O ATOM 165 OD2 ASP A 11 -0.512 8.328 1.852 1.00 0.00 O ATOM 0 H ASP A 11 -2.234 5.597 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.556 7.800 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.151 6.546 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.568 6.132 0.706 1.00 0.00 H new ATOM 170 N CYS A 12 1.011 4.977 -1.083 1.00 0.00 N ATOM 171 CA CYS A 12 2.321 4.348 -1.046 1.00 0.00 C ATOM 172 C CYS A 12 2.944 4.315 -2.437 1.00 0.00 C ATOM 173 O CYS A 12 4.160 4.432 -2.586 1.00 0.00 O ATOM 174 CB CYS A 12 2.211 2.932 -0.487 1.00 0.00 C ATOM 175 SG CYS A 12 3.786 2.261 0.135 1.00 0.00 S ATOM 0 H CYS A 12 0.232 4.341 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 12 2.965 4.938 -0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.480 2.927 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.829 2.273 -1.266 1.00 0.00 H new ATOM 180 N LYS A 13 2.102 4.166 -3.458 1.00 0.00 N ATOM 181 CA LYS A 13 2.576 4.130 -4.838 1.00 0.00 C ATOM 182 C LYS A 13 3.356 5.397 -5.163 1.00 0.00 C ATOM 183 O LYS A 13 4.450 5.340 -5.724 1.00 0.00 O ATOM 184 CB LYS A 13 1.403 3.977 -5.811 1.00 0.00 C ATOM 185 CG LYS A 13 1.575 2.831 -6.796 1.00 0.00 C ATOM 186 CD LYS A 13 0.746 1.619 -6.398 1.00 0.00 C ATOM 187 CE LYS A 13 0.013 1.028 -7.593 1.00 0.00 C ATOM 188 NZ LYS A 13 0.854 0.043 -8.328 1.00 0.00 N ATOM 0 H LYS A 13 1.092 4.069 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 13 3.235 3.268 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.487 3.821 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.279 4.907 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.282 3.161 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.627 2.551 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.395 0.862 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.025 1.906 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.902 0.543 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.283 1.829 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.319 -0.337 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.716 0.512 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.116 -0.735 -7.689 1.00 0.00 H new ATOM 202 N ARG A 14 2.785 6.540 -4.799 1.00 0.00 N ATOM 203 CA ARG A 14 3.430 7.825 -5.045 1.00 0.00 C ATOM 204 C ARG A 14 4.456 8.149 -3.957 1.00 0.00 C ATOM 205 O ARG A 14 5.054 9.225 -3.961 1.00 0.00 O ATOM 206 CB ARG A 14 2.383 8.938 -5.120 1.00 0.00 C ATOM 207 CG ARG A 14 1.633 9.157 -3.817 1.00 0.00 C ATOM 208 CD ARG A 14 1.313 10.627 -3.598 1.00 0.00 C ATOM 209 NE ARG A 14 0.016 10.995 -4.161 1.00 0.00 N ATOM 210 CZ ARG A 14 -1.149 10.740 -3.569 1.00 0.00 C ATOM 211 NH1 ARG A 14 -1.183 10.117 -2.397 1.00 0.00 N ATOM 212 NH2 ARG A 14 -2.282 11.109 -4.149 1.00 0.00 N ATOM 0 H ARG A 14 1.879 6.603 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 14 3.954 7.758 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.874 9.868 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.667 8.699 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.708 8.580 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.231 8.786 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.319 10.844 -2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.092 11.239 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 14 0.002 11.476 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.314 9.831 -1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.078 9.924 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.262 11.588 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.174 10.914 -3.695 1.00 0.00 H new ATOM 226 N ARG A 15 4.659 7.216 -3.027 1.00 0.00 N ATOM 227 CA ARG A 15 5.613 7.412 -1.943 1.00 0.00 C ATOM 228 C ARG A 15 6.943 6.718 -2.239 1.00 0.00 C ATOM 229 O ARG A 15 7.781 6.565 -1.351 1.00 0.00 O ATOM 230 CB ARG A 15 5.035 6.886 -0.629 1.00 0.00 C ATOM 231 CG ARG A 15 5.512 7.653 0.595 1.00 0.00 C ATOM 232 CD ARG A 15 4.348 8.134 1.447 1.00 0.00 C ATOM 233 NE ARG A 15 4.174 9.583 1.370 1.00 0.00 N ATOM 234 CZ ARG A 15 3.357 10.275 2.161 1.00 0.00 C ATOM 235 NH1 ARG A 15 2.639 9.655 3.090 1.00 0.00 N ATOM 236 NH2 ARG A 15 3.258 11.590 2.024 1.00 0.00 N ATOM 0 H ARG A 15 4.175 6.319 -3.005 1.00 0.00 H new ATOM 0 HA ARG A 15 5.800 8.482 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.947 6.933 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.305 5.836 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.162 7.015 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.109 8.508 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.432 7.641 1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.514 7.844 2.484 1.00 0.00 H new ATOM 0 HE ARG A 15 4.710 10.094 0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.712 8.644 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.015 10.190 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.808 12.071 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.632 12.120 2.630 1.00 0.00 H new ATOM 250 N GLY A 16 7.134 6.307 -3.490 1.00 0.00 N ATOM 251 CA GLY A 16 8.364 5.645 -3.873 1.00 0.00 C ATOM 252 C GLY A 16 8.397 4.179 -3.481 1.00 0.00 C ATOM 253 O GLY A 16 9.361 3.716 -2.871 1.00 0.00 O ATOM 0 H GLY A 16 6.457 6.422 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.495 5.730 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.206 6.158 -3.409 1.00 0.00 H new ATOM 257 N TYR A 17 7.347 3.445 -3.838 1.00 0.00 N ATOM 258 CA TYR A 17 7.268 2.021 -3.526 1.00 0.00 C ATOM 259 C TYR A 17 6.850 1.222 -4.757 1.00 0.00 C ATOM 260 O TYR A 17 6.454 1.794 -5.773 1.00 0.00 O ATOM 261 CB TYR A 17 6.285 1.775 -2.380 1.00 0.00 C ATOM 262 CG TYR A 17 6.726 2.378 -1.065 1.00 0.00 C ATOM 263 CD1 TYR A 17 6.680 3.750 -0.859 1.00 0.00 C ATOM 264 CD2 TYR A 17 7.190 1.574 -0.031 1.00 0.00 C ATOM 265 CE1 TYR A 17 7.084 4.306 0.340 1.00 0.00 C ATOM 266 CE2 TYR A 17 7.595 2.122 1.172 1.00 0.00 C ATOM 267 CZ TYR A 17 7.540 3.488 1.352 1.00 0.00 C ATOM 268 OH TYR A 17 7.943 4.037 2.547 1.00 0.00 O ATOM 0 H TYR A 17 6.540 3.812 -4.343 1.00 0.00 H new ATOM 0 HA TYR A 17 8.258 1.687 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.313 2.187 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.151 0.701 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.322 4.394 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.235 0.504 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.043 5.376 0.484 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.952 1.484 1.966 1.00 0.00 H new ATOM 0 HH TYR A 17 8.235 3.324 3.153 1.00 0.00 H new ATOM 278 N ARG A 18 6.947 -0.100 -4.664 1.00 0.00 N ATOM 279 CA ARG A 18 6.584 -0.972 -5.776 1.00 0.00 C ATOM 280 C ARG A 18 5.254 -1.673 -5.518 1.00 0.00 C ATOM 281 O ARG A 18 4.332 -1.589 -6.329 1.00 0.00 O ATOM 282 CB ARG A 18 7.682 -2.009 -6.015 1.00 0.00 C ATOM 283 CG ARG A 18 7.917 -2.317 -7.484 1.00 0.00 C ATOM 284 CD ARG A 18 6.770 -3.120 -8.076 1.00 0.00 C ATOM 285 NE ARG A 18 7.222 -4.029 -9.126 1.00 0.00 N ATOM 286 CZ ARG A 18 6.435 -4.921 -9.724 1.00 0.00 C ATOM 287 NH1 ARG A 18 5.158 -5.027 -9.379 1.00 0.00 N ATOM 288 NH2 ARG A 18 6.927 -5.709 -10.670 1.00 0.00 N ATOM 0 H ARG A 18 7.273 -0.591 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 18 6.475 -0.352 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.612 -1.650 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.419 -2.931 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.034 -1.385 -8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.848 -2.873 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.283 -3.692 -7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.023 -2.439 -8.483 1.00 0.00 H new ATOM 0 HE ARG A 18 8.198 -3.977 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.774 -4.423 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.560 -5.712 -9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.908 -5.632 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.325 -6.393 -11.129 1.00 0.00 H new ATOM 302 N SER A 19 5.159 -2.366 -4.388 1.00 0.00 N ATOM 303 CA SER A 19 3.936 -3.081 -4.036 1.00 0.00 C ATOM 304 C SER A 19 3.904 -3.411 -2.549 1.00 0.00 C ATOM 305 O SER A 19 4.945 -3.479 -1.896 1.00 0.00 O ATOM 306 CB SER A 19 3.818 -4.366 -4.858 1.00 0.00 C ATOM 307 OG SER A 19 2.525 -4.934 -4.735 1.00 0.00 O ATOM 0 H SER A 19 5.910 -2.448 -3.703 1.00 0.00 H new ATOM 0 HA SER A 19 3.090 -2.433 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.026 -4.151 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.567 -5.084 -4.525 1.00 0.00 H new ATOM 0 HG SER A 19 2.475 -5.753 -5.271 1.00 0.00 H new ATOM 313 N GLY A 20 2.703 -3.613 -2.017 1.00 0.00 N ATOM 314 CA GLY A 20 2.563 -3.930 -0.609 1.00 0.00 C ATOM 315 C GLY A 20 1.304 -4.715 -0.305 1.00 0.00 C ATOM 316 O GLY A 20 0.684 -5.285 -1.203 1.00 0.00 O ATOM 0 H GLY A 20 1.826 -3.563 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.431 -4.503 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.557 -3.005 -0.032 1.00 0.00 H new ATOM 320 N LYS A 21 0.928 -4.742 0.969 1.00 0.00 N ATOM 321 CA LYS A 21 -0.264 -5.459 1.403 1.00 0.00 C ATOM 322 C LYS A 21 -0.862 -4.815 2.649 1.00 0.00 C ATOM 323 O LYS A 21 -0.137 -4.390 3.550 1.00 0.00 O ATOM 324 CB LYS A 21 0.071 -6.921 1.682 1.00 0.00 C ATOM 325 CG LYS A 21 1.084 -7.089 2.793 1.00 0.00 C ATOM 326 CD LYS A 21 2.097 -8.179 2.476 1.00 0.00 C ATOM 327 CE LYS A 21 2.225 -9.172 3.619 1.00 0.00 C ATOM 328 NZ LYS A 21 3.280 -8.770 4.590 1.00 0.00 N ATOM 0 H LYS A 21 1.434 -4.274 1.721 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.001 -5.409 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.842 -7.454 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.457 -7.381 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.605 -6.145 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.568 -7.332 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.796 -8.704 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.068 -7.727 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.269 -9.255 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.458 -10.159 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.335 -9.474 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.197 -8.715 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.045 -7.840 4.992 1.00 0.00 H new ATOM 342 N CYS A 22 -2.188 -4.747 2.694 1.00 0.00 N ATOM 343 CA CYS A 22 -2.884 -4.156 3.830 1.00 0.00 C ATOM 344 C CYS A 22 -3.343 -5.242 4.801 1.00 0.00 C ATOM 345 O CYS A 22 -4.355 -5.906 4.572 1.00 0.00 O ATOM 346 CB CYS A 22 -4.079 -3.321 3.340 1.00 0.00 C ATOM 347 SG CYS A 22 -5.475 -3.203 4.514 1.00 0.00 S ATOM 0 H CYS A 22 -2.802 -5.094 1.957 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.196 -3.498 4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.730 -2.314 3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.444 -3.750 2.407 1.00 0.00 H new ATOM 352 N ILE A 23 -2.597 -5.414 5.887 1.00 0.00 N ATOM 353 CA ILE A 23 -2.935 -6.415 6.891 1.00 0.00 C ATOM 354 C ILE A 23 -4.195 -6.014 7.647 1.00 0.00 C ATOM 355 O ILE A 23 -4.536 -4.832 7.719 1.00 0.00 O ATOM 356 CB ILE A 23 -1.786 -6.622 7.898 1.00 0.00 C ATOM 357 CG1 ILE A 23 -0.467 -6.863 7.160 1.00 0.00 C ATOM 358 CG2 ILE A 23 -2.100 -7.787 8.827 1.00 0.00 C ATOM 359 CD1 ILE A 23 -0.449 -8.146 6.357 1.00 0.00 C ATOM 0 H ILE A 23 -1.756 -4.874 6.094 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.107 -7.352 6.362 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.683 -5.719 8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.275 -6.023 6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.347 -6.886 7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.280 -7.921 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.019 -7.578 9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.226 -8.697 8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.516 -8.251 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.609 -8.994 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.241 -8.118 5.608 1.00 0.00 H new ATOM 371 N ASN A 24 -4.885 -7.008 8.206 1.00 0.00 N ATOM 372 CA ASN A 24 -6.121 -6.776 8.956 1.00 0.00 C ATOM 373 C ASN A 24 -6.034 -5.540 9.843 1.00 0.00 C ATOM 374 O ASN A 24 -7.044 -4.899 10.136 1.00 0.00 O ATOM 375 CB ASN A 24 -6.464 -8.002 9.805 1.00 0.00 C ATOM 376 CG ASN A 24 -6.887 -9.189 8.961 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.064 -10.024 8.587 1.00 0.00 O ATOM 378 ND2 ASN A 24 -8.177 -9.269 8.657 1.00 0.00 N ATOM 0 H ASN A 24 -4.607 -7.988 8.153 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.912 -6.603 8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.598 -8.278 10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.266 -7.748 10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.521 -10.046 8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.824 -8.554 8.989 1.00 0.00 H new ATOM 385 N ASN A 25 -4.827 -5.213 10.263 1.00 0.00 N ATOM 386 CA ASN A 25 -4.603 -4.053 11.114 1.00 0.00 C ATOM 387 C ASN A 25 -3.191 -3.501 10.937 1.00 0.00 C ATOM 388 O ASN A 25 -2.568 -3.054 11.900 1.00 0.00 O ATOM 389 CB ASN A 25 -4.841 -4.420 12.581 1.00 0.00 C ATOM 390 CG ASN A 25 -5.798 -3.467 13.269 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.476 -2.301 13.495 1.00 0.00 O ATOM 392 ND2 ASN A 25 -6.985 -3.960 13.605 1.00 0.00 N ATOM 0 H ASN A 25 -3.982 -5.734 10.030 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.310 -3.278 10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.238 -5.433 12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.889 -4.420 13.111 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.671 -3.365 14.070 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.210 -4.933 13.398 1.00 0.00 H new ATOM 399 N ALA A 26 -2.686 -3.531 9.705 1.00 0.00 N ATOM 400 CA ALA A 26 -1.344 -3.026 9.433 1.00 0.00 C ATOM 401 C ALA A 26 -1.030 -3.020 7.940 1.00 0.00 C ATOM 402 O ALA A 26 -0.875 -4.072 7.324 1.00 0.00 O ATOM 403 CB ALA A 26 -0.313 -3.855 10.183 1.00 0.00 C ATOM 0 H ALA A 26 -3.179 -3.895 8.890 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.302 -1.994 9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.685 -3.470 9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.508 -3.796 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.377 -4.894 9.860 1.00 0.00 H new ATOM 409 N CYS A 27 -0.923 -1.825 7.367 1.00 0.00 N ATOM 410 CA CYS A 27 -0.613 -1.681 5.948 1.00 0.00 C ATOM 411 C CYS A 27 0.883 -1.458 5.748 1.00 0.00 C ATOM 412 O CYS A 27 1.469 -0.558 6.351 1.00 0.00 O ATOM 413 CB CYS A 27 -1.402 -0.517 5.345 1.00 0.00 C ATOM 414 SG CYS A 27 -1.531 -0.567 3.528 1.00 0.00 S ATOM 0 H CYS A 27 -1.046 -0.942 7.863 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.900 -2.601 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.406 -0.514 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.929 0.420 5.639 1.00 0.00 H new ATOM 419 N LYS A 28 1.500 -2.283 4.907 1.00 0.00 N ATOM 420 CA LYS A 28 2.932 -2.167 4.646 1.00 0.00 C ATOM 421 C LYS A 28 3.265 -2.482 3.189 1.00 0.00 C ATOM 422 O LYS A 28 2.742 -3.436 2.613 1.00 0.00 O ATOM 423 CB LYS A 28 3.714 -3.101 5.572 1.00 0.00 C ATOM 424 CG LYS A 28 4.953 -2.461 6.178 1.00 0.00 C ATOM 425 CD LYS A 28 4.685 -1.951 7.585 1.00 0.00 C ATOM 426 CE LYS A 28 5.779 -1.006 8.053 1.00 0.00 C ATOM 427 NZ LYS A 28 5.901 -0.989 9.537 1.00 0.00 N ATOM 0 H LYS A 28 1.035 -3.034 4.397 1.00 0.00 H new ATOM 0 HA LYS A 28 3.222 -1.135 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.058 -3.435 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.010 -3.989 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.765 -3.188 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.283 -1.635 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.724 -1.437 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.613 -2.795 8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.730 -1.306 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.566 0.001 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.658 -0.332 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.001 -0.678 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.129 -1.945 9.878 1.00 0.00 H new ATOM 441 N CYS A 29 4.142 -1.671 2.604 1.00 0.00 N ATOM 442 CA CYS A 29 4.556 -1.853 1.219 1.00 0.00 C ATOM 443 C CYS A 29 6.076 -1.849 1.106 1.00 0.00 C ATOM 444 O CYS A 29 6.779 -1.493 2.052 1.00 0.00 O ATOM 445 CB CYS A 29 3.964 -0.756 0.327 1.00 0.00 C ATOM 446 SG CYS A 29 3.224 0.647 1.228 1.00 0.00 S ATOM 0 H CYS A 29 4.581 -0.878 3.072 1.00 0.00 H new ATOM 0 HA CYS A 29 4.181 -2.819 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.749 -0.376 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.202 -1.200 -0.314 1.00 0.00 H new ATOM 451 N TYR A 30 6.576 -2.256 -0.055 1.00 0.00 N ATOM 452 CA TYR A 30 8.013 -2.309 -0.289 1.00 0.00 C ATOM 453 C TYR A 30 8.358 -1.876 -1.712 1.00 0.00 C ATOM 454 O TYR A 30 7.563 -2.058 -2.637 1.00 0.00 O ATOM 455 CB TYR A 30 8.535 -3.724 -0.036 1.00 0.00 C ATOM 456 CG TYR A 30 7.780 -4.463 1.047 1.00 0.00 C ATOM 457 CD1 TYR A 30 8.059 -4.242 2.389 1.00 0.00 C ATOM 458 CD2 TYR A 30 6.783 -5.375 0.724 1.00 0.00 C ATOM 459 CE1 TYR A 30 7.366 -4.910 3.380 1.00 0.00 C ATOM 460 CE2 TYR A 30 6.086 -6.047 1.709 1.00 0.00 C ATOM 461 CZ TYR A 30 6.381 -5.811 3.035 1.00 0.00 C ATOM 462 OH TYR A 30 5.689 -6.478 4.019 1.00 0.00 O ATOM 0 H TYR A 30 6.008 -2.554 -0.848 1.00 0.00 H new ATOM 0 HA TYR A 30 8.492 -1.617 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.476 -4.295 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.588 -3.670 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.830 -3.537 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.549 -5.561 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.595 -4.727 4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.314 -6.754 1.442 1.00 0.00 H new ATOM 0 HH TYR A 30 4.884 -6.884 3.635 1.00 0.00 H new ATOM 472 N PRO A 31 9.556 -1.297 -1.905 1.00 0.00 N ATOM 473 CA PRO A 31 10.012 -0.837 -3.218 1.00 0.00 C ATOM 474 C PRO A 31 10.521 -1.982 -4.087 1.00 0.00 C ATOM 475 O PRO A 31 10.398 -3.152 -3.724 1.00 0.00 O ATOM 476 CB PRO A 31 11.152 0.116 -2.869 1.00 0.00 C ATOM 477 CG PRO A 31 11.717 -0.427 -1.602 1.00 0.00 C ATOM 478 CD PRO A 31 10.563 -1.044 -0.854 1.00 0.00 C ATOM 0 HA PRO A 31 9.211 -0.378 -3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.903 0.143 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.791 1.136 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.489 -1.169 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.183 0.364 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.858 -1.966 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.179 -0.372 -0.086 1.00 0.00 H new ATOM 486 N TYR A 32 11.094 -1.638 -5.235 1.00 0.00 N ATOM 487 CA TYR A 32 11.621 -2.637 -6.156 1.00 0.00 C ATOM 488 C TYR A 32 12.741 -3.441 -5.502 1.00 0.00 C ATOM 489 O TYR A 32 12.532 -4.646 -5.248 1.00 0.00 O ATOM 490 CB TYR A 32 12.134 -1.965 -7.432 1.00 0.00 C ATOM 491 CG TYR A 32 11.531 -2.531 -8.698 1.00 0.00 C ATOM 492 CD1 TYR A 32 11.541 -3.898 -8.943 1.00 0.00 C ATOM 493 CD2 TYR A 32 10.953 -1.698 -9.648 1.00 0.00 C ATOM 494 CE1 TYR A 32 10.991 -4.420 -10.099 1.00 0.00 C ATOM 495 CE2 TYR A 32 10.401 -2.212 -10.806 1.00 0.00 C ATOM 496 CZ TYR A 32 10.423 -3.573 -11.027 1.00 0.00 C ATOM 497 OH TYR A 32 9.875 -4.089 -12.178 1.00 0.00 O ATOM 498 OXT TYR A 32 13.817 -2.860 -5.249 1.00 0.00 O ATOM 0 H TYR A 32 11.205 -0.674 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 32 10.812 -3.320 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.919 -0.898 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.218 -2.070 -7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.986 -4.564 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.935 -0.632 -9.479 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.006 -5.486 -10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.955 -1.551 -11.534 1.00 0.00 H new ATOM 0 HH TYR A 32 9.516 -3.359 -12.725 1.00 0.00 H new TER 508 TYR A 32