USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=9 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+ -118:sc= 0.0819 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -2.05 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.255) 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.13 F(o=-2.2!,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -0.191 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 30:sc= -0.556 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.007 5.257 9.677 1.00 1.47 N ATOM 2 CA ALA A 1 -12.694 4.568 8.398 1.00 1.22 C ATOM 3 C ALA A 1 -11.855 3.319 8.641 1.00 1.05 C ATOM 4 O ALA A 1 -11.357 3.098 9.744 1.00 1.20 O ATOM 5 CB ALA A 1 -11.969 5.515 7.453 1.00 1.44 C ATOM 0 H1 ALA A 1 -14.037 5.269 9.822 1.00 1.47 H new ATOM 0 H2 ALA A 1 -12.553 4.751 10.464 1.00 1.47 H new ATOM 0 H3 ALA A 1 -12.651 6.233 9.642 1.00 1.47 H new ATOM 0 HA ALA A 1 -13.634 4.261 7.939 1.00 1.22 H new ATOM 0 HB1 ALA A 1 -11.746 4.998 6.520 1.00 1.44 H new ATOM 0 HB2 ALA A 1 -12.602 6.378 7.247 1.00 1.44 H new ATOM 0 HB3 ALA A 1 -11.039 5.848 7.914 1.00 1.44 H new ATOM 13 N VAL A 2 -11.704 2.503 7.602 1.00 0.87 N ATOM 14 CA VAL A 2 -10.924 1.273 7.703 1.00 0.78 C ATOM 15 C VAL A 2 -9.761 1.281 6.721 1.00 0.59 C ATOM 16 O VAL A 2 -9.679 2.138 5.841 1.00 0.58 O ATOM 17 CB VAL A 2 -11.785 0.017 7.445 1.00 0.91 C ATOM 18 CG1 VAL A 2 -11.320 -1.139 8.319 1.00 1.15 C ATOM 19 CG2 VAL A 2 -13.263 0.308 7.678 1.00 1.22 C ATOM 0 H VAL A 2 -12.111 2.671 6.682 1.00 0.87 H new ATOM 0 HA VAL A 2 -10.544 1.233 8.724 1.00 0.78 H new ATOM 0 HB VAL A 2 -11.660 -0.269 6.401 1.00 0.91 H new ATOM 0 HG11 VAL A 2 -11.939 -2.015 8.123 1.00 1.15 H new ATOM 0 HG12 VAL A 2 -10.280 -1.371 8.092 1.00 1.15 H new ATOM 0 HG13 VAL A 2 -11.408 -0.860 9.369 1.00 1.15 H new ATOM 0 HG21 VAL A 2 -13.846 -0.594 7.489 1.00 1.22 H new ATOM 0 HG22 VAL A 2 -13.413 0.627 8.709 1.00 1.22 H new ATOM 0 HG23 VAL A 2 -13.589 1.099 7.002 1.00 1.22 H new ATOM 29 N CYS A 3 -8.864 0.318 6.881 1.00 0.56 N ATOM 30 CA CYS A 3 -7.698 0.203 6.013 1.00 0.46 C ATOM 31 C CYS A 3 -8.117 -0.104 4.579 1.00 0.41 C ATOM 32 O CYS A 3 -8.726 -1.138 4.307 1.00 0.54 O ATOM 33 CB CYS A 3 -6.759 -0.891 6.527 1.00 0.58 C ATOM 34 SG CYS A 3 -5.277 -1.150 5.497 1.00 0.59 S ATOM 0 H CYS A 3 -8.921 -0.397 7.606 1.00 0.56 H new ATOM 0 HA CYS A 3 -7.172 1.158 6.023 1.00 0.46 H new ATOM 0 HB2 CYS A 3 -6.444 -0.638 7.539 1.00 0.58 H new ATOM 0 HB3 CYS A 3 -7.312 -1.828 6.590 1.00 0.58 H new ATOM 39 N VAL A 4 -7.782 0.801 3.665 1.00 0.40 N ATOM 40 CA VAL A 4 -8.119 0.625 2.258 1.00 0.52 C ATOM 41 C VAL A 4 -6.898 0.183 1.459 1.00 0.51 C ATOM 42 O VAL A 4 -5.822 0.768 1.576 1.00 0.54 O ATOM 43 CB VAL A 4 -8.683 1.920 1.643 1.00 0.62 C ATOM 44 CG1 VAL A 4 -9.318 1.635 0.290 1.00 0.81 C ATOM 45 CG2 VAL A 4 -9.689 2.567 2.584 1.00 0.65 C ATOM 0 H VAL A 4 -7.278 1.663 3.874 1.00 0.40 H new ATOM 0 HA VAL A 4 -8.886 -0.148 2.209 1.00 0.52 H new ATOM 0 HB VAL A 4 -7.859 2.618 1.495 1.00 0.62 H new ATOM 0 HG11 VAL A 4 -9.711 2.561 -0.130 1.00 0.81 H new ATOM 0 HG12 VAL A 4 -8.568 1.221 -0.384 1.00 0.81 H new ATOM 0 HG13 VAL A 4 -10.130 0.919 0.413 1.00 0.81 H new ATOM 0 HG21 VAL A 4 -10.076 3.480 2.131 1.00 0.65 H new ATOM 0 HG22 VAL A 4 -10.512 1.876 2.767 1.00 0.65 H new ATOM 0 HG23 VAL A 4 -9.201 2.809 3.528 1.00 0.65 H new ATOM 55 N TYR A 5 -7.071 -0.858 0.653 1.00 0.53 N ATOM 56 CA TYR A 5 -5.983 -1.387 -0.161 1.00 0.57 C ATOM 57 C TYR A 5 -5.613 -0.430 -1.291 1.00 0.53 C ATOM 58 O TYR A 5 -4.435 -0.179 -1.542 1.00 0.54 O ATOM 59 CB TYR A 5 -6.372 -2.745 -0.735 1.00 0.64 C ATOM 60 CG TYR A 5 -5.281 -3.397 -1.555 1.00 0.70 C ATOM 61 CD1 TYR A 5 -4.177 -3.976 -0.942 1.00 1.29 C ATOM 62 CD2 TYR A 5 -5.357 -3.434 -2.941 1.00 1.55 C ATOM 63 CE1 TYR A 5 -3.179 -4.574 -1.688 1.00 1.38 C ATOM 64 CE2 TYR A 5 -4.363 -4.030 -3.694 1.00 1.80 C ATOM 65 CZ TYR A 5 -3.277 -4.598 -3.063 1.00 1.25 C ATOM 66 OH TYR A 5 -2.286 -5.193 -3.809 1.00 1.60 O ATOM 0 H TYR A 5 -7.956 -1.353 0.546 1.00 0.53 H new ATOM 0 HA TYR A 5 -5.110 -1.501 0.482 1.00 0.57 H new ATOM 0 HB2 TYR A 5 -6.645 -3.410 0.084 1.00 0.64 H new ATOM 0 HB3 TYR A 5 -7.259 -2.625 -1.357 1.00 0.64 H new ATOM 0 HD1 TYR A 5 -4.097 -3.959 0.135 1.00 1.29 H new ATOM 0 HD2 TYR A 5 -6.206 -2.990 -3.439 1.00 1.55 H new ATOM 0 HE1 TYR A 5 -2.327 -5.020 -1.197 1.00 1.38 H new ATOM 0 HE2 TYR A 5 -4.437 -4.051 -4.771 1.00 1.80 H new ATOM 0 HH TYR A 5 -2.508 -5.125 -4.761 1.00 1.60 H new ATOM 76 N ARG A 6 -6.625 0.092 -1.976 1.00 0.54 N ATOM 77 CA ARG A 6 -6.405 1.009 -3.087 1.00 0.56 C ATOM 78 C ARG A 6 -5.868 2.356 -2.609 1.00 0.51 C ATOM 79 O ARG A 6 -5.025 2.966 -3.270 1.00 0.51 O ATOM 80 CB ARG A 6 -7.704 1.214 -3.862 1.00 0.66 C ATOM 81 CG ARG A 6 -7.498 1.394 -5.357 1.00 0.77 C ATOM 82 CD ARG A 6 -8.819 1.596 -6.081 1.00 1.27 C ATOM 83 NE ARG A 6 -8.647 1.650 -7.531 1.00 1.87 N ATOM 84 CZ ARG A 6 -9.656 1.725 -8.395 1.00 2.39 C ATOM 85 NH1 ARG A 6 -10.910 1.755 -7.961 1.00 2.58 N ATOM 86 NH2 ARG A 6 -9.412 1.769 -9.698 1.00 3.27 N ATOM 0 H ARG A 6 -7.607 -0.105 -1.780 1.00 0.54 H new ATOM 0 HA ARG A 6 -5.656 0.563 -3.741 1.00 0.56 H new ATOM 0 HB2 ARG A 6 -8.357 0.357 -3.694 1.00 0.66 H new ATOM 0 HB3 ARG A 6 -8.219 2.089 -3.467 1.00 0.66 H new ATOM 0 HG2 ARG A 6 -6.849 2.252 -5.535 1.00 0.77 H new ATOM 0 HG3 ARG A 6 -6.989 0.520 -5.763 1.00 0.77 H new ATOM 0 HD2 ARG A 6 -9.499 0.783 -5.827 1.00 1.27 H new ATOM 0 HD3 ARG A 6 -9.283 2.520 -5.737 1.00 1.27 H new ATOM 0 HE ARG A 6 -7.697 1.629 -7.903 1.00 1.87 H new ATOM 0 HH11 ARG A 6 -11.104 1.721 -6.960 1.00 2.58 H new ATOM 0 HH12 ARG A 6 -11.679 1.813 -8.628 1.00 2.58 H new ATOM 0 HH21 ARG A 6 -8.451 1.745 -10.038 1.00 3.27 H new ATOM 0 HH22 ARG A 6 -10.186 1.826 -10.360 1.00 3.27 H new ATOM 100 N THR A 7 -6.354 2.817 -1.461 1.00 0.50 N ATOM 101 CA THR A 7 -5.915 4.092 -0.909 1.00 0.54 C ATOM 102 C THR A 7 -4.520 3.960 -0.322 1.00 0.51 C ATOM 103 O THR A 7 -3.673 4.834 -0.501 1.00 0.53 O ATOM 104 CB THR A 7 -6.892 4.577 0.163 1.00 0.65 C ATOM 105 OG1 THR A 7 -8.218 4.200 -0.160 1.00 0.67 O ATOM 106 CG2 THR A 7 -6.875 6.078 0.351 1.00 0.88 C ATOM 0 H THR A 7 -7.049 2.328 -0.897 1.00 0.50 H new ATOM 0 HA THR A 7 -5.890 4.825 -1.715 1.00 0.54 H new ATOM 0 HB THR A 7 -6.562 4.106 1.089 1.00 0.65 H new ATOM 0 HG1 THR A 7 -8.828 4.518 0.538 1.00 0.67 H new ATOM 0 HG21 THR A 7 -7.590 6.356 1.125 1.00 0.88 H new ATOM 0 HG22 THR A 7 -5.876 6.396 0.649 1.00 0.88 H new ATOM 0 HG23 THR A 7 -7.147 6.565 -0.586 1.00 0.88 H new ATOM 114 N CYS A 8 -4.287 2.853 0.369 1.00 0.51 N ATOM 115 CA CYS A 8 -2.987 2.598 0.974 1.00 0.57 C ATOM 116 C CYS A 8 -1.951 2.307 -0.103 1.00 0.51 C ATOM 117 O CYS A 8 -0.786 2.686 0.020 1.00 0.55 O ATOM 118 CB CYS A 8 -3.069 1.426 1.954 1.00 0.68 C ATOM 119 SG CYS A 8 -1.653 1.318 3.096 1.00 1.06 S ATOM 0 H CYS A 8 -4.978 2.119 0.524 1.00 0.51 H new ATOM 0 HA CYS A 8 -2.684 3.489 1.524 1.00 0.57 H new ATOM 0 HB2 CYS A 8 -3.986 1.515 2.536 1.00 0.68 H new ATOM 0 HB3 CYS A 8 -3.139 0.497 1.389 1.00 0.68 H new ATOM 124 N ASP A 9 -2.389 1.637 -1.164 1.00 0.49 N ATOM 125 CA ASP A 9 -1.509 1.297 -2.270 1.00 0.53 C ATOM 126 C ASP A 9 -1.095 2.550 -3.034 1.00 0.48 C ATOM 127 O ASP A 9 0.088 2.766 -3.295 1.00 0.50 O ATOM 128 CB ASP A 9 -2.198 0.310 -3.215 1.00 0.62 C ATOM 129 CG ASP A 9 -1.273 -0.191 -4.305 1.00 0.82 C ATOM 130 OD1 ASP A 9 -0.087 -0.446 -4.007 1.00 1.44 O ATOM 131 OD2 ASP A 9 -1.733 -0.330 -5.458 1.00 1.34 O ATOM 0 H ASP A 9 -3.351 1.319 -1.279 1.00 0.49 H new ATOM 0 HA ASP A 9 -0.614 0.828 -1.862 1.00 0.53 H new ATOM 0 HB2 ASP A 9 -2.571 -0.538 -2.641 1.00 0.62 H new ATOM 0 HB3 ASP A 9 -3.063 0.792 -3.670 1.00 0.62 H new ATOM 136 N LYS A 10 -2.078 3.374 -3.390 1.00 0.46 N ATOM 137 CA LYS A 10 -1.811 4.607 -4.122 1.00 0.49 C ATOM 138 C LYS A 10 -0.948 5.558 -3.297 1.00 0.48 C ATOM 139 O LYS A 10 0.090 6.032 -3.762 1.00 0.50 O ATOM 140 CB LYS A 10 -3.120 5.290 -4.510 1.00 0.58 C ATOM 141 CG LYS A 10 -3.325 5.405 -6.011 1.00 1.29 C ATOM 142 CD LYS A 10 -4.543 6.251 -6.346 1.00 1.84 C ATOM 143 CE LYS A 10 -4.637 6.533 -7.837 1.00 2.29 C ATOM 144 NZ LYS A 10 -5.924 6.056 -8.413 1.00 2.83 N ATOM 0 H LYS A 10 -3.063 3.210 -3.184 1.00 0.46 H new ATOM 0 HA LYS A 10 -1.264 4.348 -5.029 1.00 0.49 H new ATOM 0 HB2 LYS A 10 -3.952 4.733 -4.080 1.00 0.58 H new ATOM 0 HB3 LYS A 10 -3.144 6.287 -4.071 1.00 0.58 H new ATOM 0 HG2 LYS A 10 -2.439 5.846 -6.467 1.00 1.29 H new ATOM 0 HG3 LYS A 10 -3.443 4.410 -6.440 1.00 1.29 H new ATOM 0 HD2 LYS A 10 -5.446 5.737 -6.015 1.00 1.84 H new ATOM 0 HD3 LYS A 10 -4.494 7.193 -5.800 1.00 1.84 H new ATOM 0 HE2 LYS A 10 -4.537 7.604 -8.011 1.00 2.29 H new ATOM 0 HE3 LYS A 10 -3.807 6.048 -8.351 1.00 2.29 H new ATOM 0 HZ1 LYS A 10 -5.948 6.267 -9.431 1.00 2.83 H new ATOM 0 HZ2 LYS A 10 -6.009 5.029 -8.270 1.00 2.83 H new ATOM 0 HZ3 LYS A 10 -6.715 6.538 -7.941 1.00 2.83 H new ATOM 158 N ASP A 11 -1.381 5.830 -2.069 1.00 0.53 N ATOM 159 CA ASP A 11 -0.648 6.721 -1.181 1.00 0.63 C ATOM 160 C ASP A 11 0.778 6.227 -0.977 1.00 0.62 C ATOM 161 O ASP A 11 1.737 6.983 -1.129 1.00 0.69 O ATOM 162 CB ASP A 11 -1.359 6.824 0.165 1.00 0.76 C ATOM 163 CG ASP A 11 -1.334 8.231 0.729 1.00 0.93 C ATOM 164 OD1 ASP A 11 -2.072 9.093 0.207 1.00 1.51 O ATOM 165 OD2 ASP A 11 -0.576 8.471 1.693 1.00 1.47 O ATOM 0 H ASP A 11 -2.236 5.445 -1.668 1.00 0.53 H new ATOM 0 HA ASP A 11 -0.610 7.708 -1.642 1.00 0.63 H new ATOM 0 HB2 ASP A 11 -2.394 6.500 0.051 1.00 0.76 H new ATOM 0 HB3 ASP A 11 -0.888 6.143 0.874 1.00 0.76 H new ATOM 170 N CYS A 12 0.908 4.951 -0.635 1.00 0.62 N ATOM 171 CA CYS A 12 2.215 4.353 -0.414 1.00 0.72 C ATOM 172 C CYS A 12 3.020 4.324 -1.709 1.00 0.62 C ATOM 173 O CYS A 12 4.232 4.537 -1.702 1.00 0.64 O ATOM 174 CB CYS A 12 2.064 2.938 0.144 1.00 0.91 C ATOM 175 SG CYS A 12 3.567 2.294 0.949 1.00 1.19 S ATOM 0 H CYS A 12 0.124 4.312 -0.505 1.00 0.62 H new ATOM 0 HA CYS A 12 2.752 4.963 0.313 1.00 0.72 H new ATOM 0 HB2 CYS A 12 1.246 2.928 0.864 1.00 0.91 H new ATOM 0 HB3 CYS A 12 1.783 2.267 -0.667 1.00 0.91 H new ATOM 180 N LYS A 13 2.338 4.067 -2.823 1.00 0.57 N ATOM 181 CA LYS A 13 2.996 4.021 -4.124 1.00 0.58 C ATOM 182 C LYS A 13 3.663 5.356 -4.433 1.00 0.51 C ATOM 183 O LYS A 13 4.779 5.401 -4.951 1.00 0.58 O ATOM 184 CB LYS A 13 1.988 3.675 -5.222 1.00 0.67 C ATOM 185 CG LYS A 13 1.929 2.192 -5.547 1.00 1.40 C ATOM 186 CD LYS A 13 0.611 1.818 -6.204 1.00 2.03 C ATOM 187 CE LYS A 13 0.715 1.844 -7.720 1.00 2.35 C ATOM 188 NZ LYS A 13 0.617 3.228 -8.261 1.00 3.17 N ATOM 0 H LYS A 13 1.334 3.888 -2.850 1.00 0.57 H new ATOM 0 HA LYS A 13 3.761 3.245 -4.092 1.00 0.58 H new ATOM 0 HB2 LYS A 13 0.998 4.011 -4.914 1.00 0.67 H new ATOM 0 HB3 LYS A 13 2.244 4.227 -6.126 1.00 0.67 H new ATOM 0 HG2 LYS A 13 2.754 1.931 -6.210 1.00 1.40 H new ATOM 0 HG3 LYS A 13 2.058 1.613 -4.633 1.00 1.40 H new ATOM 0 HD2 LYS A 13 0.310 0.823 -5.876 1.00 2.03 H new ATOM 0 HD3 LYS A 13 -0.167 2.509 -5.880 1.00 2.03 H new ATOM 0 HE2 LYS A 13 1.663 1.401 -8.026 1.00 2.35 H new ATOM 0 HE3 LYS A 13 -0.077 1.230 -8.149 1.00 2.35 H new ATOM 0 HZ1 LYS A 13 0.420 3.189 -9.281 1.00 3.17 H new ATOM 0 HZ2 LYS A 13 -0.153 3.735 -7.779 1.00 3.17 H new ATOM 0 HZ3 LYS A 13 1.515 3.728 -8.101 1.00 3.17 H new ATOM 202 N ARG A 14 2.971 6.443 -4.106 1.00 0.48 N ATOM 203 CA ARG A 14 3.496 7.783 -4.341 1.00 0.56 C ATOM 204 C ARG A 14 4.594 8.134 -3.336 1.00 0.61 C ATOM 205 O ARG A 14 5.236 9.178 -3.448 1.00 0.88 O ATOM 206 CB ARG A 14 2.368 8.815 -4.261 1.00 0.67 C ATOM 207 CG ARG A 14 1.744 9.140 -5.608 1.00 1.26 C ATOM 208 CD ARG A 14 1.286 10.588 -5.674 1.00 1.59 C ATOM 209 NE ARG A 14 0.063 10.741 -6.459 1.00 2.19 N ATOM 210 CZ ARG A 14 -0.732 11.806 -6.392 1.00 2.72 C ATOM 211 NH1 ARG A 14 -0.438 12.813 -5.578 1.00 2.86 N ATOM 212 NH2 ARG A 14 -1.825 11.865 -7.140 1.00 3.61 N ATOM 0 H ARG A 14 2.046 6.422 -3.678 1.00 0.48 H new ATOM 0 HA ARG A 14 3.931 7.801 -5.340 1.00 0.56 H new ATOM 0 HB2 ARG A 14 1.593 8.442 -3.591 1.00 0.67 H new ATOM 0 HB3 ARG A 14 2.757 9.732 -3.819 1.00 0.67 H new ATOM 0 HG2 ARG A 14 2.467 8.949 -6.401 1.00 1.26 H new ATOM 0 HG3 ARG A 14 0.895 8.480 -5.786 1.00 1.26 H new ATOM 0 HD2 ARG A 14 1.117 10.961 -4.664 1.00 1.59 H new ATOM 0 HD3 ARG A 14 2.076 11.198 -6.111 1.00 1.59 H new ATOM 0 HE ARG A 14 -0.196 9.987 -7.096 1.00 2.19 H new ATOM 0 HH11 ARG A 14 0.401 12.773 -5.000 1.00 2.86 H new ATOM 0 HH12 ARG A 14 -1.051 13.627 -5.531 1.00 2.86 H new ATOM 0 HH21 ARG A 14 -2.056 11.094 -7.767 1.00 3.61 H new ATOM 0 HH22 ARG A 14 -2.435 12.681 -7.089 1.00 3.61 H new ATOM 226 N ARG A 15 4.809 7.258 -2.355 1.00 0.53 N ATOM 227 CA ARG A 15 5.829 7.484 -1.339 1.00 0.62 C ATOM 228 C ARG A 15 7.130 6.770 -1.698 1.00 0.64 C ATOM 229 O ARG A 15 7.955 6.490 -0.828 1.00 1.25 O ATOM 230 CB ARG A 15 5.331 7.006 0.027 1.00 0.71 C ATOM 231 CG ARG A 15 5.756 7.903 1.177 1.00 1.07 C ATOM 232 CD ARG A 15 4.691 7.959 2.260 1.00 1.31 C ATOM 233 NE ARG A 15 5.001 8.958 3.281 1.00 1.76 N ATOM 234 CZ ARG A 15 4.432 8.989 4.483 1.00 2.22 C ATOM 235 NH1 ARG A 15 3.525 8.081 4.820 1.00 2.61 N ATOM 236 NH2 ARG A 15 4.771 9.932 5.352 1.00 2.88 N ATOM 0 H ARG A 15 4.290 6.387 -2.245 1.00 0.53 H new ATOM 0 HA ARG A 15 6.027 8.555 -1.293 1.00 0.62 H new ATOM 0 HB2 ARG A 15 4.243 6.946 0.007 1.00 0.71 H new ATOM 0 HB3 ARG A 15 5.703 5.997 0.207 1.00 0.71 H new ATOM 0 HG2 ARG A 15 6.690 7.535 1.602 1.00 1.07 H new ATOM 0 HG3 ARG A 15 5.950 8.908 0.803 1.00 1.07 H new ATOM 0 HD2 ARG A 15 3.726 8.190 1.808 1.00 1.31 H new ATOM 0 HD3 ARG A 15 4.598 6.979 2.728 1.00 1.31 H new ATOM 0 HE ARG A 15 5.694 9.673 3.059 1.00 1.76 H new ATOM 0 HH11 ARG A 15 3.260 7.354 4.156 1.00 2.61 H new ATOM 0 HH12 ARG A 15 3.093 8.110 5.743 1.00 2.61 H new ATOM 0 HH21 ARG A 15 5.467 10.633 5.098 1.00 2.88 H new ATOM 0 HH22 ARG A 15 4.335 9.956 6.274 1.00 2.88 H new ATOM 250 N GLY A 16 7.310 6.483 -2.984 1.00 0.51 N ATOM 251 CA GLY A 16 8.511 5.812 -3.433 1.00 0.52 C ATOM 252 C GLY A 16 8.497 4.323 -3.145 1.00 0.43 C ATOM 253 O GLY A 16 9.440 3.788 -2.563 1.00 0.50 O ATOM 0 H GLY A 16 6.642 6.705 -3.722 1.00 0.51 H new ATOM 0 HA2 GLY A 16 8.630 5.969 -4.505 1.00 0.52 H new ATOM 0 HA3 GLY A 16 9.376 6.263 -2.947 1.00 0.52 H new ATOM 257 N TYR A 17 7.426 3.652 -3.558 1.00 0.36 N ATOM 258 CA TYR A 17 7.295 2.216 -3.345 1.00 0.36 C ATOM 259 C TYR A 17 6.756 1.533 -4.598 1.00 0.38 C ATOM 260 O TYR A 17 6.352 2.198 -5.553 1.00 0.41 O ATOM 261 CB TYR A 17 6.375 1.936 -2.157 1.00 0.42 C ATOM 262 CG TYR A 17 6.959 2.360 -0.828 1.00 0.49 C ATOM 263 CD1 TYR A 17 6.849 3.673 -0.386 1.00 1.29 C ATOM 264 CD2 TYR A 17 7.622 1.449 -0.015 1.00 1.33 C ATOM 265 CE1 TYR A 17 7.382 4.065 0.827 1.00 1.32 C ATOM 266 CE2 TYR A 17 8.157 1.833 1.199 1.00 1.40 C ATOM 267 CZ TYR A 17 8.035 3.142 1.616 1.00 0.72 C ATOM 268 OH TYR A 17 8.567 3.528 2.824 1.00 0.87 O ATOM 0 H TYR A 17 6.637 4.080 -4.042 1.00 0.36 H new ATOM 0 HA TYR A 17 8.283 1.811 -3.128 1.00 0.36 H new ATOM 0 HB2 TYR A 17 5.428 2.454 -2.311 1.00 0.42 H new ATOM 0 HB3 TYR A 17 6.153 0.869 -2.123 1.00 0.42 H new ATOM 0 HD1 TYR A 17 6.338 4.399 -1.001 1.00 1.29 H new ATOM 0 HD2 TYR A 17 7.721 0.423 -0.338 1.00 1.33 H new ATOM 0 HE1 TYR A 17 7.288 5.089 1.155 1.00 1.32 H new ATOM 0 HE2 TYR A 17 8.669 1.112 1.819 1.00 1.40 H new ATOM 0 HH TYR A 17 8.992 2.757 3.256 1.00 0.87 H new ATOM 278 N ARG A 18 6.756 0.204 -4.594 1.00 0.48 N ATOM 279 CA ARG A 18 6.270 -0.560 -5.737 1.00 0.59 C ATOM 280 C ARG A 18 4.877 -1.123 -5.473 1.00 0.59 C ATOM 281 O ARG A 18 3.930 -0.825 -6.201 1.00 0.70 O ATOM 282 CB ARG A 18 7.237 -1.698 -6.067 1.00 0.75 C ATOM 283 CG ARG A 18 7.375 -1.963 -7.558 1.00 1.23 C ATOM 284 CD ARG A 18 7.355 -3.451 -7.867 1.00 1.65 C ATOM 285 NE ARG A 18 6.824 -3.725 -9.201 1.00 2.21 N ATOM 286 CZ ARG A 18 6.631 -4.950 -9.685 1.00 2.74 C ATOM 287 NH1 ARG A 18 6.923 -6.016 -8.949 1.00 3.03 N ATOM 288 NH2 ARG A 18 6.145 -5.110 -10.908 1.00 3.54 N ATOM 0 H ARG A 18 7.086 -0.365 -3.814 1.00 0.48 H new ATOM 0 HA ARG A 18 6.210 0.117 -6.589 1.00 0.59 H new ATOM 0 HB2 ARG A 18 8.218 -1.461 -5.656 1.00 0.75 H new ATOM 0 HB3 ARG A 18 6.896 -2.608 -5.574 1.00 0.75 H new ATOM 0 HG2 ARG A 18 6.563 -1.469 -8.092 1.00 1.23 H new ATOM 0 HG3 ARG A 18 8.306 -1.528 -7.921 1.00 1.23 H new ATOM 0 HD2 ARG A 18 8.366 -3.851 -7.790 1.00 1.65 H new ATOM 0 HD3 ARG A 18 6.750 -3.968 -7.122 1.00 1.65 H new ATOM 0 HE ARG A 18 6.587 -2.931 -9.796 1.00 2.21 H new ATOM 0 HH11 ARG A 18 7.297 -5.899 -8.007 1.00 3.03 H new ATOM 0 HH12 ARG A 18 6.773 -6.952 -9.325 1.00 3.03 H new ATOM 0 HH21 ARG A 18 5.919 -4.295 -11.478 1.00 3.54 H new ATOM 0 HH22 ARG A 18 5.997 -6.048 -11.279 1.00 3.54 H new ATOM 302 N SER A 19 4.758 -1.942 -4.433 1.00 0.58 N ATOM 303 CA SER A 19 3.478 -2.549 -4.085 1.00 0.70 C ATOM 304 C SER A 19 3.166 -2.368 -2.603 1.00 0.65 C ATOM 305 O SER A 19 3.977 -1.834 -1.847 1.00 0.77 O ATOM 306 CB SER A 19 3.484 -4.037 -4.436 1.00 0.87 C ATOM 307 OG SER A 19 3.550 -4.231 -5.839 1.00 1.57 O ATOM 0 H SER A 19 5.530 -2.200 -3.818 1.00 0.58 H new ATOM 0 HA SER A 19 2.702 -2.046 -4.662 1.00 0.70 H new ATOM 0 HB2 SER A 19 4.335 -4.523 -3.958 1.00 0.87 H new ATOM 0 HB3 SER A 19 2.584 -4.510 -4.042 1.00 0.87 H new ATOM 0 HG SER A 19 3.554 -5.191 -6.037 1.00 1.57 H new ATOM 313 N GLY A 20 1.982 -2.817 -2.197 1.00 0.82 N ATOM 314 CA GLY A 20 1.579 -2.699 -0.808 1.00 0.84 C ATOM 315 C GLY A 20 0.410 -3.602 -0.465 1.00 0.74 C ATOM 316 O GLY A 20 -0.317 -4.051 -1.351 1.00 0.81 O ATOM 0 H GLY A 20 1.294 -3.261 -2.806 1.00 0.82 H new ATOM 0 HA2 GLY A 20 2.425 -2.944 -0.165 1.00 0.84 H new ATOM 0 HA3 GLY A 20 1.309 -1.664 -0.598 1.00 0.84 H new ATOM 320 N LYS A 21 0.231 -3.869 0.824 1.00 0.65 N ATOM 321 CA LYS A 21 -0.856 -4.726 1.284 1.00 0.62 C ATOM 322 C LYS A 21 -1.243 -4.394 2.722 1.00 0.50 C ATOM 323 O LYS A 21 -0.490 -3.738 3.442 1.00 0.43 O ATOM 324 CB LYS A 21 -0.452 -6.198 1.177 1.00 0.78 C ATOM 325 CG LYS A 21 -0.974 -6.884 -0.074 1.00 1.33 C ATOM 326 CD LYS A 21 -0.733 -8.384 -0.028 1.00 1.81 C ATOM 327 CE LYS A 21 -0.763 -8.999 -1.419 1.00 2.65 C ATOM 328 NZ LYS A 21 -1.991 -9.812 -1.640 1.00 3.29 N ATOM 0 H LYS A 21 0.825 -3.504 1.569 1.00 0.65 H new ATOM 0 HA LYS A 21 -1.721 -4.546 0.646 1.00 0.62 H new ATOM 0 HB2 LYS A 21 0.636 -6.269 1.193 1.00 0.78 H new ATOM 0 HB3 LYS A 21 -0.820 -6.731 2.054 1.00 0.78 H new ATOM 0 HG2 LYS A 21 -2.041 -6.689 -0.179 1.00 1.33 H new ATOM 0 HG3 LYS A 21 -0.485 -6.463 -0.952 1.00 1.33 H new ATOM 0 HD2 LYS A 21 0.232 -8.584 0.438 1.00 1.81 H new ATOM 0 HD3 LYS A 21 -1.492 -8.856 0.596 1.00 1.81 H new ATOM 0 HE2 LYS A 21 -0.712 -8.208 -2.167 1.00 2.65 H new ATOM 0 HE3 LYS A 21 0.118 -9.626 -1.558 1.00 2.65 H new ATOM 0 HZ1 LYS A 21 -1.973 -10.214 -2.599 1.00 3.29 H new ATOM 0 HZ2 LYS A 21 -2.027 -10.583 -0.943 1.00 3.29 H new ATOM 0 HZ3 LYS A 21 -2.831 -9.208 -1.533 1.00 3.29 H new ATOM 342 N CYS A 22 -2.420 -4.853 3.135 1.00 0.57 N ATOM 343 CA CYS A 22 -2.907 -4.607 4.488 1.00 0.54 C ATOM 344 C CYS A 22 -3.147 -5.921 5.225 1.00 0.57 C ATOM 345 O CYS A 22 -3.994 -6.722 4.828 1.00 0.74 O ATOM 346 CB CYS A 22 -4.199 -3.787 4.448 1.00 0.69 C ATOM 347 SG CYS A 22 -4.630 -2.998 6.034 1.00 0.75 S ATOM 0 H CYS A 22 -3.055 -5.398 2.552 1.00 0.57 H new ATOM 0 HA CYS A 22 -2.145 -4.043 5.025 1.00 0.54 H new ATOM 0 HB2 CYS A 22 -4.103 -3.015 3.685 1.00 0.69 H new ATOM 0 HB3 CYS A 22 -5.019 -4.436 4.143 1.00 0.69 H new ATOM 352 N ILE A 23 -2.393 -6.139 6.299 1.00 0.57 N ATOM 353 CA ILE A 23 -2.521 -7.356 7.088 1.00 0.74 C ATOM 354 C ILE A 23 -2.641 -7.044 8.576 1.00 0.99 C ATOM 355 O ILE A 23 -1.798 -6.351 9.145 1.00 1.40 O ATOM 356 CB ILE A 23 -1.319 -8.294 6.868 1.00 1.24 C ATOM 357 CG1 ILE A 23 -1.053 -8.477 5.373 1.00 1.77 C ATOM 358 CG2 ILE A 23 -1.565 -9.638 7.537 1.00 1.61 C ATOM 359 CD1 ILE A 23 -2.179 -9.172 4.639 1.00 2.74 C ATOM 0 H ILE A 23 -1.687 -5.487 6.641 1.00 0.57 H new ATOM 0 HA ILE A 23 -3.431 -7.853 6.753 1.00 0.74 H new ATOM 0 HB ILE A 23 -0.437 -7.841 7.321 1.00 1.24 H new ATOM 0 HG12 ILE A 23 -0.884 -7.500 4.920 1.00 1.77 H new ATOM 0 HG13 ILE A 23 -0.136 -9.052 5.243 1.00 1.77 H new ATOM 0 HG21 ILE A 23 -0.706 -10.289 7.372 1.00 1.61 H new ATOM 0 HG22 ILE A 23 -1.709 -9.491 8.607 1.00 1.61 H new ATOM 0 HG23 ILE A 23 -2.457 -10.099 7.111 1.00 1.61 H new ATOM 0 HD11 ILE A 23 -1.921 -9.267 3.584 1.00 2.74 H new ATOM 0 HD12 ILE A 23 -2.334 -10.163 5.066 1.00 2.74 H new ATOM 0 HD13 ILE A 23 -3.093 -8.587 4.738 1.00 2.74 H new ATOM 371 N ASN A 24 -3.694 -7.564 9.202 1.00 1.01 N ATOM 372 CA ASN A 24 -3.930 -7.350 10.628 1.00 1.47 C ATOM 373 C ASN A 24 -3.773 -5.880 11.003 1.00 1.22 C ATOM 374 O ASN A 24 -2.939 -5.521 11.835 1.00 1.92 O ATOM 375 CB ASN A 24 -2.969 -8.194 11.454 1.00 2.08 C ATOM 376 CG ASN A 24 -2.995 -9.658 11.061 1.00 2.55 C ATOM 377 OD1 ASN A 24 -1.835 -10.195 10.701 1.00 2.59 O flip ATOM 378 ND2 ASN A 24 -4.045 -10.299 11.081 1.00 3.39 N flip ATOM 0 H ASN A 24 -4.400 -8.139 8.742 1.00 1.01 H new ATOM 0 HA ASN A 24 -4.955 -7.651 10.843 1.00 1.47 H new ATOM 0 HB2 ASN A 24 -1.957 -7.807 11.335 1.00 2.08 H new ATOM 0 HB3 ASN A 24 -3.224 -8.100 12.510 1.00 2.08 H new ATOM 0 HD21 ASN A 24 -4.914 -9.846 11.364 1.00 3.39 H new ATOM 0 HD22 ASN A 24 -4.047 -11.283 10.814 1.00 3.39 H new ATOM 385 N ASN A 25 -4.582 -5.039 10.382 1.00 0.77 N ATOM 386 CA ASN A 25 -4.548 -3.603 10.640 1.00 1.00 C ATOM 387 C ASN A 25 -3.140 -3.042 10.448 1.00 0.95 C ATOM 388 O ASN A 25 -2.792 -2.008 11.018 1.00 1.29 O ATOM 389 CB ASN A 25 -5.039 -3.308 12.059 1.00 1.30 C ATOM 390 CG ASN A 25 -6.120 -2.245 12.087 1.00 1.61 C ATOM 391 OD1 ASN A 25 -6.281 -1.482 11.135 1.00 2.31 O ATOM 392 ND2 ASN A 25 -6.866 -2.189 13.184 1.00 2.18 N ATOM 0 H ASN A 25 -5.276 -5.325 9.691 1.00 0.77 H new ATOM 0 HA ASN A 25 -5.210 -3.117 9.924 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -5.423 -4.225 12.506 1.00 1.30 H new ATOM 0 HB3 ASN A 25 -4.198 -2.983 12.672 1.00 1.30 H new ATOM 0 HD21 ASN A 25 -7.608 -1.493 13.261 1.00 2.18 H new ATOM 0 HD22 ASN A 25 -6.697 -2.842 13.949 1.00 2.18 H new ATOM 399 N ALA A 26 -2.335 -3.729 9.642 1.00 0.65 N ATOM 400 CA ALA A 26 -0.969 -3.296 9.377 1.00 0.63 C ATOM 401 C ALA A 26 -0.697 -3.238 7.878 1.00 0.56 C ATOM 402 O ALA A 26 -0.501 -4.268 7.233 1.00 0.54 O ATOM 403 CB ALA A 26 0.021 -4.227 10.060 1.00 0.71 C ATOM 0 H ALA A 26 -2.606 -4.587 9.162 1.00 0.65 H new ATOM 0 HA ALA A 26 -0.844 -2.292 9.783 1.00 0.63 H new ATOM 0 HB1 ALA A 26 1.037 -3.892 9.854 1.00 0.71 H new ATOM 0 HB2 ALA A 26 -0.153 -4.217 11.136 1.00 0.71 H new ATOM 0 HB3 ALA A 26 -0.111 -5.240 9.680 1.00 0.71 H new ATOM 409 N CYS A 27 -0.690 -2.029 7.329 1.00 0.59 N ATOM 410 CA CYS A 27 -0.446 -1.840 5.905 1.00 0.56 C ATOM 411 C CYS A 27 1.047 -1.750 5.611 1.00 0.48 C ATOM 412 O CYS A 27 1.702 -0.768 5.960 1.00 0.63 O ATOM 413 CB CYS A 27 -1.155 -0.579 5.409 1.00 0.66 C ATOM 414 SG CYS A 27 -1.623 -0.634 3.649 1.00 0.89 S ATOM 0 H CYS A 27 -0.850 -1.166 7.848 1.00 0.59 H new ATOM 0 HA CYS A 27 -0.846 -2.706 5.377 1.00 0.56 H new ATOM 0 HB2 CYS A 27 -2.052 -0.420 6.008 1.00 0.66 H new ATOM 0 HB3 CYS A 27 -0.505 0.280 5.575 1.00 0.66 H new ATOM 419 N LYS A 28 1.577 -2.782 4.963 1.00 0.47 N ATOM 420 CA LYS A 28 2.993 -2.824 4.616 1.00 0.58 C ATOM 421 C LYS A 28 3.195 -2.523 3.134 1.00 0.49 C ATOM 422 O LYS A 28 2.257 -2.607 2.341 1.00 0.79 O ATOM 423 CB LYS A 28 3.583 -4.195 4.958 1.00 0.91 C ATOM 424 CG LYS A 28 4.867 -4.120 5.768 1.00 1.42 C ATOM 425 CD LYS A 28 5.045 -5.349 6.645 1.00 1.90 C ATOM 426 CE LYS A 28 5.613 -4.983 8.007 1.00 2.43 C ATOM 427 NZ LYS A 28 7.101 -4.921 7.990 1.00 3.17 N ATOM 0 H LYS A 28 1.047 -3.601 4.667 1.00 0.47 H new ATOM 0 HA LYS A 28 3.510 -2.061 5.198 1.00 0.58 H new ATOM 0 HB2 LYS A 28 2.844 -4.770 5.516 1.00 0.91 H new ATOM 0 HB3 LYS A 28 3.778 -4.738 4.033 1.00 0.91 H new ATOM 0 HG2 LYS A 28 5.719 -4.026 5.094 1.00 1.42 H new ATOM 0 HG3 LYS A 28 4.854 -3.226 6.391 1.00 1.42 H new ATOM 0 HD2 LYS A 28 4.085 -5.849 6.772 1.00 1.90 H new ATOM 0 HD3 LYS A 28 5.710 -6.057 6.150 1.00 1.90 H new ATOM 0 HE2 LYS A 28 5.213 -4.018 8.320 1.00 2.43 H new ATOM 0 HE3 LYS A 28 5.289 -5.717 8.745 1.00 2.43 H new ATOM 0 HZ1 LYS A 28 7.449 -4.669 8.937 1.00 3.17 H new ATOM 0 HZ2 LYS A 28 7.484 -5.848 7.716 1.00 3.17 H new ATOM 0 HZ3 LYS A 28 7.411 -4.203 7.305 1.00 3.17 H new ATOM 441 N CYS A 29 4.423 -2.171 2.766 1.00 0.46 N ATOM 442 CA CYS A 29 4.742 -1.859 1.378 1.00 0.51 C ATOM 443 C CYS A 29 5.951 -2.656 0.901 1.00 0.42 C ATOM 444 O CYS A 29 6.690 -3.225 1.704 1.00 0.70 O ATOM 445 CB CYS A 29 5.002 -0.363 1.217 1.00 0.96 C ATOM 446 SG CYS A 29 3.839 0.475 0.092 1.00 0.92 S ATOM 0 H CYS A 29 5.212 -2.095 3.408 1.00 0.46 H new ATOM 0 HA CYS A 29 3.886 -2.138 0.764 1.00 0.51 H new ATOM 0 HB2 CYS A 29 4.950 0.112 2.197 1.00 0.96 H new ATOM 0 HB3 CYS A 29 6.017 -0.219 0.847 1.00 0.96 H new ATOM 451 N TYR A 30 6.143 -2.695 -0.414 1.00 0.45 N ATOM 452 CA TYR A 30 7.259 -3.426 -1.003 1.00 0.56 C ATOM 453 C TYR A 30 7.908 -2.617 -2.126 1.00 0.44 C ATOM 454 O TYR A 30 7.404 -2.588 -3.249 1.00 0.47 O ATOM 455 CB TYR A 30 6.785 -4.777 -1.544 1.00 0.94 C ATOM 456 CG TYR A 30 5.704 -5.423 -0.706 1.00 0.99 C ATOM 457 CD1 TYR A 30 5.899 -5.662 0.648 1.00 1.69 C ATOM 458 CD2 TYR A 30 4.488 -5.789 -1.269 1.00 1.46 C ATOM 459 CE1 TYR A 30 4.913 -6.249 1.418 1.00 1.80 C ATOM 460 CE2 TYR A 30 3.497 -6.376 -0.506 1.00 1.57 C ATOM 461 CZ TYR A 30 3.714 -6.604 0.836 1.00 1.29 C ATOM 462 OH TYR A 30 2.729 -7.188 1.599 1.00 1.50 O ATOM 0 H TYR A 30 5.540 -2.229 -1.092 1.00 0.45 H new ATOM 0 HA TYR A 30 8.001 -3.595 -0.222 1.00 0.56 H new ATOM 0 HB2 TYR A 30 6.413 -4.641 -2.559 1.00 0.94 H new ATOM 0 HB3 TYR A 30 7.638 -5.453 -1.605 1.00 0.94 H new ATOM 0 HD1 TYR A 30 6.837 -5.385 1.107 1.00 1.69 H new ATOM 0 HD2 TYR A 30 4.314 -5.612 -2.320 1.00 1.46 H new ATOM 0 HE1 TYR A 30 5.080 -6.429 2.470 1.00 1.80 H new ATOM 0 HE2 TYR A 30 2.557 -6.655 -0.959 1.00 1.57 H new ATOM 0 HH TYR A 30 2.797 -6.868 2.523 1.00 1.50 H new ATOM 472 N PRO A 31 9.038 -1.946 -1.838 1.00 0.51 N ATOM 473 CA PRO A 31 9.750 -1.137 -2.832 1.00 0.60 C ATOM 474 C PRO A 31 10.510 -1.994 -3.839 1.00 0.62 C ATOM 475 O PRO A 31 10.317 -3.208 -3.907 1.00 1.15 O ATOM 476 CB PRO A 31 10.722 -0.318 -1.984 1.00 0.82 C ATOM 477 CG PRO A 31 10.987 -1.169 -0.791 1.00 0.86 C ATOM 478 CD PRO A 31 9.711 -1.921 -0.523 1.00 0.70 C ATOM 0 HA PRO A 31 9.070 -0.532 -3.432 1.00 0.60 H new ATOM 0 HB2 PRO A 31 11.641 -0.103 -2.530 1.00 0.82 H new ATOM 0 HB3 PRO A 31 10.289 0.641 -1.699 1.00 0.82 H new ATOM 0 HG2 PRO A 31 11.812 -1.856 -0.978 1.00 0.86 H new ATOM 0 HG3 PRO A 31 11.268 -0.559 0.068 1.00 0.86 H new ATOM 0 HD2 PRO A 31 9.909 -2.928 -0.155 1.00 0.70 H new ATOM 0 HD3 PRO A 31 9.102 -1.421 0.230 1.00 0.70 H new ATOM 486 N TYR A 32 11.376 -1.354 -4.618 1.00 1.17 N ATOM 487 CA TYR A 32 12.167 -2.059 -5.621 1.00 1.31 C ATOM 488 C TYR A 32 13.447 -2.619 -5.009 1.00 1.08 C ATOM 489 O TYR A 32 14.099 -1.890 -4.231 1.00 1.69 O ATOM 490 CB TYR A 32 12.506 -1.121 -6.783 1.00 2.34 C ATOM 491 CG TYR A 32 11.965 -1.586 -8.117 1.00 2.60 C ATOM 492 CD1 TYR A 32 10.698 -2.148 -8.217 1.00 3.14 C ATOM 493 CD2 TYR A 32 12.720 -1.462 -9.276 1.00 2.92 C ATOM 494 CE1 TYR A 32 10.200 -2.574 -9.434 1.00 3.58 C ATOM 495 CE2 TYR A 32 12.229 -1.885 -10.496 1.00 3.36 C ATOM 496 CZ TYR A 32 10.969 -2.440 -10.570 1.00 3.53 C ATOM 497 OH TYR A 32 10.477 -2.862 -11.784 1.00 4.11 O ATOM 498 OXT TYR A 32 13.788 -3.782 -5.312 1.00 1.68 O ATOM 0 H TYR A 32 11.548 -0.350 -4.574 1.00 1.17 H new ATOM 0 HA TYR A 32 11.574 -2.892 -5.998 1.00 1.31 H new ATOM 0 HB2 TYR A 32 12.109 -0.129 -6.566 1.00 2.34 H new ATOM 0 HB3 TYR A 32 13.589 -1.022 -6.855 1.00 2.34 H new ATOM 0 HD1 TYR A 32 10.092 -2.254 -7.329 1.00 3.14 H new ATOM 0 HD2 TYR A 32 13.707 -1.028 -9.223 1.00 2.92 H new ATOM 0 HE1 TYR A 32 9.214 -3.010 -9.494 1.00 3.58 H new ATOM 0 HE2 TYR A 32 12.829 -1.781 -11.388 1.00 3.36 H new ATOM 0 HH TYR A 32 11.143 -2.695 -12.483 1.00 4.11 H new TER 508 TYR A 32