USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 406 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 24 ASN : amide:sc= -3.32! C(o=-3.8!,f=-16!) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.444 K(o=-3.8,f=-2.8) USER MOD Single : A 1 ARG N :NH3+ 134:sc= 0.03 (180deg=-0.0751) USER MOD Single : A 10 TYR OH : rot 158:sc= 0.376 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0235) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.8!) USER MOD Single : A 44 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00048 USER MOD Single : A 54 THR OG1 : rot 79:sc= 0.0654 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.907 -11.725 -0.509 1.00 0.00 N ATOM 2 CA ARG A 1 -7.340 -10.504 0.122 1.00 0.00 C ATOM 3 C ARG A 1 -8.268 -9.963 1.207 1.00 0.00 C ATOM 4 O ARG A 1 -9.484 -10.143 1.139 1.00 0.00 O ATOM 5 CB ARG A 1 -7.120 -9.450 -0.965 1.00 0.00 C ATOM 6 CG ARG A 1 -8.409 -8.958 -1.607 1.00 0.00 C ATOM 7 CD ARG A 1 -8.595 -9.530 -3.004 1.00 0.00 C ATOM 8 NE ARG A 1 -9.651 -10.537 -3.049 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.819 -11.392 -4.055 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.999 -11.370 -5.098 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.810 -12.273 -4.018 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.823 -11.653 -1.543 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.386 -12.561 -0.177 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.910 -11.816 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.392 -10.753 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.592 -8.600 -0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.475 -9.867 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.257 -9.239 -0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -8.398 -7.869 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.834 -8.723 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -7.658 -9.973 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.299 -10.588 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.235 -10.695 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.133 -12.028 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.443 -12.295 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.939 -12.928 -4.789 1.00 0.00 H new ATOM 27 N PRO A 2 -7.706 -9.293 2.229 1.00 0.00 N ATOM 28 CA PRO A 2 -8.498 -8.732 3.327 1.00 0.00 C ATOM 29 C PRO A 2 -9.503 -7.691 2.837 1.00 0.00 C ATOM 30 O PRO A 2 -9.206 -6.881 1.959 1.00 0.00 O ATOM 31 CB PRO A 2 -7.454 -8.092 4.251 1.00 0.00 C ATOM 32 CG PRO A 2 -6.148 -8.695 3.853 1.00 0.00 C ATOM 33 CD PRO A 2 -6.267 -9.036 2.396 1.00 0.00 C ATOM 0 HA PRO A 2 -9.098 -9.494 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.438 -7.008 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.678 -8.297 5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.329 -7.996 4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.935 -9.585 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.928 -8.217 1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.669 -9.909 2.136 1.00 0.00 H new ATOM 41 N ASP A 3 -10.706 -7.740 3.397 1.00 0.00 N ATOM 42 CA ASP A 3 -11.780 -6.825 3.016 1.00 0.00 C ATOM 43 C ASP A 3 -11.300 -5.379 2.902 1.00 0.00 C ATOM 44 O ASP A 3 -11.380 -4.772 1.836 1.00 0.00 O ATOM 45 CB ASP A 3 -12.922 -6.906 4.033 1.00 0.00 C ATOM 46 CG ASP A 3 -14.267 -7.146 3.374 1.00 0.00 C ATOM 47 OD1 ASP A 3 -14.539 -6.513 2.332 1.00 0.00 O ATOM 48 OD2 ASP A 3 -15.047 -7.968 3.899 1.00 0.00 O ATOM 0 H ASP A 3 -10.965 -8.409 4.122 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.131 -7.135 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.719 -7.710 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.961 -5.979 4.606 1.00 0.00 H new ATOM 53 N PHE A 4 -10.825 -4.825 4.010 1.00 0.00 N ATOM 54 CA PHE A 4 -10.362 -3.439 4.039 1.00 0.00 C ATOM 55 C PHE A 4 -9.348 -3.139 2.937 1.00 0.00 C ATOM 56 O PHE A 4 -9.274 -2.014 2.450 1.00 0.00 O ATOM 57 CB PHE A 4 -9.745 -3.112 5.397 1.00 0.00 C ATOM 58 CG PHE A 4 -8.776 -4.149 5.885 1.00 0.00 C ATOM 59 CD1 PHE A 4 -7.450 -4.116 5.489 1.00 0.00 C ATOM 60 CD2 PHE A 4 -9.191 -5.152 6.744 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.556 -5.065 5.938 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.300 -6.105 7.196 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.982 -6.061 6.792 1.00 0.00 C ATOM 0 H PHE A 4 -10.749 -5.313 4.903 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.237 -2.813 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.234 -2.152 5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.543 -2.999 6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.112 -3.338 4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.222 -5.189 7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.524 -5.029 5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.635 -6.884 7.865 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.284 -6.806 7.144 1.00 0.00 H new ATOM 73 N CYS A 5 -8.578 -4.143 2.533 1.00 0.00 N ATOM 74 CA CYS A 5 -7.584 -3.950 1.482 1.00 0.00 C ATOM 75 C CYS A 5 -8.251 -3.537 0.179 1.00 0.00 C ATOM 76 O CYS A 5 -7.609 -2.994 -0.719 1.00 0.00 O ATOM 77 CB CYS A 5 -6.751 -5.210 1.284 1.00 0.00 C ATOM 78 SG CYS A 5 -5.752 -5.661 2.740 1.00 0.00 S ATOM 0 H CYS A 5 -8.621 -5.089 2.912 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.915 -3.147 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.414 -6.039 1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.089 -5.067 0.430 1.00 0.00 H new ATOM 83 N LEU A 6 -9.553 -3.781 0.091 1.00 0.00 N ATOM 84 CA LEU A 6 -10.318 -3.425 -1.099 1.00 0.00 C ATOM 85 C LEU A 6 -10.704 -1.946 -1.079 1.00 0.00 C ATOM 86 O LEU A 6 -11.157 -1.402 -2.086 1.00 0.00 O ATOM 87 CB LEU A 6 -11.582 -4.282 -1.198 1.00 0.00 C ATOM 88 CG LEU A 6 -11.375 -5.775 -0.943 1.00 0.00 C ATOM 89 CD1 LEU A 6 -12.716 -6.479 -0.792 1.00 0.00 C ATOM 90 CD2 LEU A 6 -10.567 -6.398 -2.072 1.00 0.00 C ATOM 0 H LEU A 6 -10.101 -4.224 0.829 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.688 -3.611 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.314 -3.905 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -12.011 -4.155 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.818 -5.895 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.551 -7.541 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.261 -6.048 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.298 -6.353 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.428 -7.461 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.099 -6.269 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.594 -5.910 -2.135 1.00 0.00 H new ATOM 102 N GLU A 7 -10.524 -1.303 0.072 1.00 0.00 N ATOM 103 CA GLU A 7 -10.849 0.112 0.215 1.00 0.00 C ATOM 104 C GLU A 7 -9.835 0.983 -0.524 1.00 0.00 C ATOM 105 O GLU A 7 -8.663 1.025 -0.152 1.00 0.00 O ATOM 106 CB GLU A 7 -10.884 0.505 1.694 1.00 0.00 C ATOM 107 CG GLU A 7 -11.838 -0.337 2.526 1.00 0.00 C ATOM 108 CD GLU A 7 -13.287 0.076 2.350 1.00 0.00 C ATOM 109 OE1 GLU A 7 -13.595 1.267 2.568 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.113 -0.790 1.994 1.00 0.00 O ATOM 0 H GLU A 7 -10.156 -1.739 0.917 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.834 0.275 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.880 0.417 2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.172 1.553 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.727 -1.385 2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.566 -0.255 3.578 1.00 0.00 H new ATOM 117 N PRO A 8 -10.271 1.695 -1.581 1.00 0.00 N ATOM 118 CA PRO A 8 -9.389 2.563 -2.359 1.00 0.00 C ATOM 119 C PRO A 8 -9.205 3.932 -1.707 1.00 0.00 C ATOM 120 O PRO A 8 -10.099 4.424 -1.018 1.00 0.00 O ATOM 121 CB PRO A 8 -10.130 2.694 -3.683 1.00 0.00 C ATOM 122 CG PRO A 8 -11.568 2.635 -3.301 1.00 0.00 C ATOM 123 CD PRO A 8 -11.653 1.716 -2.106 1.00 0.00 C ATOM 0 HA PRO A 8 -8.381 2.159 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.889 3.631 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.866 1.889 -4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.946 3.628 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.174 2.258 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.358 2.089 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.988 0.719 -2.391 1.00 0.00 H new ATOM 131 N PRO A 9 -8.035 4.563 -1.905 1.00 0.00 N ATOM 132 CA PRO A 9 -7.731 5.865 -1.336 1.00 0.00 C ATOM 133 C PRO A 9 -8.045 7.008 -2.292 1.00 0.00 C ATOM 134 O PRO A 9 -7.865 6.887 -3.503 1.00 0.00 O ATOM 135 CB PRO A 9 -6.228 5.772 -1.095 1.00 0.00 C ATOM 136 CG PRO A 9 -5.715 4.825 -2.139 1.00 0.00 C ATOM 137 CD PRO A 9 -6.899 4.060 -2.691 1.00 0.00 C ATOM 0 HA PRO A 9 -8.321 6.079 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.754 6.750 -1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.013 5.405 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.209 5.371 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.985 4.140 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.035 4.247 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.773 2.984 -2.569 1.00 0.00 H new ATOM 145 N TYR A 10 -8.499 8.125 -1.735 1.00 0.00 N ATOM 146 CA TYR A 10 -8.828 9.300 -2.536 1.00 0.00 C ATOM 147 C TYR A 10 -7.596 10.180 -2.733 1.00 0.00 C ATOM 148 O TYR A 10 -6.775 10.326 -1.827 1.00 0.00 O ATOM 149 CB TYR A 10 -9.958 10.103 -1.882 1.00 0.00 C ATOM 150 CG TYR A 10 -9.730 10.437 -0.423 1.00 0.00 C ATOM 151 CD1 TYR A 10 -9.979 9.502 0.575 1.00 0.00 C ATOM 152 CD2 TYR A 10 -9.277 11.693 -0.043 1.00 0.00 C ATOM 153 CE1 TYR A 10 -9.780 9.808 1.908 1.00 0.00 C ATOM 154 CE2 TYR A 10 -9.076 12.008 1.289 1.00 0.00 C ATOM 155 CZ TYR A 10 -9.329 11.063 2.260 1.00 0.00 C ATOM 156 OH TYR A 10 -9.131 11.372 3.585 1.00 0.00 O ATOM 0 H TYR A 10 -8.648 8.242 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.169 8.959 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.095 11.031 -2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -10.886 9.539 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.334 8.519 0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.078 12.437 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.977 9.068 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.722 12.990 1.567 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.506 12.123 3.656 1.00 0.00 H new ATOM 166 N ALA A 11 -7.470 10.759 -3.922 1.00 0.00 N ATOM 167 CA ALA A 11 -6.334 11.620 -4.238 1.00 0.00 C ATOM 168 C ALA A 11 -6.792 13.039 -4.561 1.00 0.00 C ATOM 169 O ALA A 11 -7.376 13.287 -5.615 1.00 0.00 O ATOM 170 CB ALA A 11 -5.544 11.041 -5.401 1.00 0.00 C ATOM 0 H ALA A 11 -8.140 10.648 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.689 11.667 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.700 11.692 -5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.177 10.050 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.188 10.965 -6.277 1.00 0.00 H new ATOM 176 N GLY A 12 -6.518 13.966 -3.648 1.00 0.00 N ATOM 177 CA GLY A 12 -6.907 15.352 -3.853 1.00 0.00 C ATOM 178 C GLY A 12 -7.755 15.892 -2.718 1.00 0.00 C ATOM 179 O GLY A 12 -8.584 15.175 -2.156 1.00 0.00 O ATOM 0 H GLY A 12 -6.033 13.783 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.012 15.965 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.461 15.436 -4.788 1.00 0.00 H new ATOM 183 N ALA A 13 -7.550 17.161 -2.383 1.00 0.00 N ATOM 184 CA ALA A 13 -8.304 17.802 -1.311 1.00 0.00 C ATOM 185 C ALA A 13 -8.051 17.113 0.027 1.00 0.00 C ATOM 186 O ALA A 13 -8.988 16.774 0.750 1.00 0.00 O ATOM 187 CB ALA A 13 -9.790 17.799 -1.640 1.00 0.00 C ATOM 0 H ALA A 13 -6.868 17.767 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.964 18.834 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.342 18.280 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.958 18.343 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.135 16.771 -1.754 1.00 0.00 H new ATOM 193 N CYS A 14 -6.779 16.902 0.349 1.00 0.00 N ATOM 194 CA CYS A 14 -6.409 16.248 1.597 1.00 0.00 C ATOM 195 C CYS A 14 -4.928 16.447 1.904 1.00 0.00 C ATOM 196 O CYS A 14 -4.154 16.860 1.041 1.00 0.00 O ATOM 197 CB CYS A 14 -6.728 14.755 1.516 1.00 0.00 C ATOM 198 SG CYS A 14 -6.890 13.940 3.138 1.00 0.00 S ATOM 0 H CYS A 14 -5.989 17.174 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.987 16.700 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.656 14.622 0.960 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.942 14.257 0.948 1.00 0.00 H new ATOM 203 N ARG A 15 -4.543 16.158 3.144 1.00 0.00 N ATOM 204 CA ARG A 15 -3.157 16.305 3.572 1.00 0.00 C ATOM 205 C ARG A 15 -2.886 15.482 4.829 1.00 0.00 C ATOM 206 O ARG A 15 -2.901 16.011 5.940 1.00 0.00 O ATOM 207 CB ARG A 15 -2.837 17.777 3.836 1.00 0.00 C ATOM 208 CG ARG A 15 -1.385 18.025 4.212 1.00 0.00 C ATOM 209 CD ARG A 15 -1.231 19.297 5.030 1.00 0.00 C ATOM 210 NE ARG A 15 -0.157 20.145 4.523 1.00 0.00 N ATOM 211 CZ ARG A 15 0.079 21.381 4.957 1.00 0.00 C ATOM 212 NH1 ARG A 15 -0.678 21.914 5.907 1.00 0.00 N ATOM 213 NH2 ARG A 15 1.077 22.084 4.440 1.00 0.00 N ATOM 0 H ARG A 15 -5.174 15.820 3.871 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.515 15.937 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.078 18.358 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.479 18.142 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.006 17.177 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.781 18.097 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.169 19.853 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.029 19.038 6.069 1.00 0.00 H new ATOM 0 HE ARG A 15 0.448 19.769 3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.446 21.376 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.492 22.862 6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.663 21.678 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.259 23.031 4.772 1.00 0.00 H new ATOM 227 N ALA A 16 -2.643 14.187 4.652 1.00 0.00 N ATOM 228 CA ALA A 16 -2.373 13.307 5.784 1.00 0.00 C ATOM 229 C ALA A 16 -1.805 11.966 5.329 1.00 0.00 C ATOM 230 O ALA A 16 -2.111 11.488 4.237 1.00 0.00 O ATOM 231 CB ALA A 16 -3.641 13.096 6.600 1.00 0.00 C ATOM 0 H ALA A 16 -2.627 13.726 3.742 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.622 13.789 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.427 12.438 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.998 14.056 6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.407 12.643 5.971 1.00 0.00 H new ATOM 237 N ALA A 17 -0.978 11.366 6.184 1.00 0.00 N ATOM 238 CA ALA A 17 -0.356 10.078 5.889 1.00 0.00 C ATOM 239 C ALA A 17 0.707 10.215 4.804 1.00 0.00 C ATOM 240 O ALA A 17 0.587 9.637 3.723 1.00 0.00 O ATOM 241 CB ALA A 17 -1.406 9.056 5.479 1.00 0.00 C ATOM 0 H ALA A 17 -0.723 11.755 7.092 1.00 0.00 H new ATOM 0 HA ALA A 17 0.133 9.728 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.922 8.103 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.122 8.924 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.928 9.407 4.589 1.00 0.00 H new ATOM 247 N ALA A 18 1.748 10.987 5.100 1.00 0.00 N ATOM 248 CA ALA A 18 2.836 11.201 4.156 1.00 0.00 C ATOM 249 C ALA A 18 3.695 9.950 4.008 1.00 0.00 C ATOM 250 O ALA A 18 3.691 9.080 4.880 1.00 0.00 O ATOM 251 CB ALA A 18 3.691 12.380 4.596 1.00 0.00 C ATOM 0 H ALA A 18 1.860 11.475 5.989 1.00 0.00 H new ATOM 0 HA ALA A 18 2.398 11.424 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.501 12.529 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.076 13.279 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.110 12.178 5.582 1.00 0.00 H new ATOM 257 N ALA A 19 4.430 9.872 2.897 1.00 0.00 N ATOM 258 CA ALA A 19 5.313 8.737 2.612 1.00 0.00 C ATOM 259 C ALA A 19 4.773 7.424 3.178 1.00 0.00 C ATOM 260 O ALA A 19 5.291 6.908 4.169 1.00 0.00 O ATOM 261 CB ALA A 19 6.707 9.010 3.156 1.00 0.00 C ATOM 0 H ALA A 19 4.431 10.590 2.172 1.00 0.00 H new ATOM 0 HA ALA A 19 5.359 8.626 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.355 8.161 2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.112 9.905 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.654 9.160 4.234 1.00 0.00 H new ATOM 267 N ARG A 20 3.734 6.890 2.545 1.00 0.00 N ATOM 268 CA ARG A 20 3.135 5.637 2.992 1.00 0.00 C ATOM 269 C ARG A 20 2.689 4.791 1.802 1.00 0.00 C ATOM 270 O ARG A 20 2.856 5.185 0.646 1.00 0.00 O ATOM 271 CB ARG A 20 1.958 5.914 3.932 1.00 0.00 C ATOM 272 CG ARG A 20 2.388 6.385 5.311 1.00 0.00 C ATOM 273 CD ARG A 20 2.528 5.225 6.280 1.00 0.00 C ATOM 274 NE ARG A 20 1.713 5.420 7.475 1.00 0.00 N ATOM 275 CZ ARG A 20 2.208 5.653 8.692 1.00 0.00 C ATOM 276 NH1 ARG A 20 3.521 5.712 8.890 1.00 0.00 N ATOM 277 NH2 ARG A 20 1.387 5.832 9.717 1.00 0.00 N ATOM 0 H ARG A 20 3.291 7.303 1.724 1.00 0.00 H new ATOM 0 HA ARG A 20 3.890 5.073 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.313 6.669 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.363 5.007 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.338 6.913 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.658 7.096 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.233 4.300 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.574 5.114 6.567 1.00 0.00 H new ATOM 0 HE ARG A 20 0.699 5.375 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.161 5.579 8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.888 5.891 9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.378 5.792 9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.764 6.010 10.648 1.00 0.00 H new ATOM 291 N TYR A 21 2.145 3.616 2.088 1.00 0.00 N ATOM 292 CA TYR A 21 1.704 2.710 1.033 1.00 0.00 C ATOM 293 C TYR A 21 0.272 2.234 1.251 1.00 0.00 C ATOM 294 O TYR A 21 -0.221 2.194 2.379 1.00 0.00 O ATOM 295 CB TYR A 21 2.635 1.500 0.959 1.00 0.00 C ATOM 296 CG TYR A 21 3.961 1.782 0.287 1.00 0.00 C ATOM 297 CD1 TYR A 21 4.980 2.440 0.962 1.00 0.00 C ATOM 298 CD2 TYR A 21 4.194 1.377 -1.019 1.00 0.00 C ATOM 299 CE1 TYR A 21 6.196 2.686 0.352 1.00 0.00 C ATOM 300 CE2 TYR A 21 5.405 1.620 -1.635 1.00 0.00 C ATOM 301 CZ TYR A 21 6.402 2.274 -0.946 1.00 0.00 C ATOM 302 OH TYR A 21 7.612 2.517 -1.556 1.00 0.00 O ATOM 0 H TYR A 21 1.998 3.268 3.036 1.00 0.00 H new ATOM 0 HA TYR A 21 1.736 3.264 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.822 1.136 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.130 0.699 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.820 2.765 1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.415 0.863 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.980 3.198 0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.570 1.299 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 21 7.595 2.162 -2.469 1.00 0.00 H new ATOM 312 N PHE A 22 -0.382 1.855 0.155 1.00 0.00 N ATOM 313 CA PHE A 22 -1.757 1.350 0.200 1.00 0.00 C ATOM 314 C PHE A 22 -1.961 0.281 -0.859 1.00 0.00 C ATOM 315 O PHE A 22 -1.294 0.282 -1.888 1.00 0.00 O ATOM 316 CB PHE A 22 -2.755 2.472 -0.030 1.00 0.00 C ATOM 317 CG PHE A 22 -2.435 3.299 -1.237 1.00 0.00 C ATOM 318 CD1 PHE A 22 -1.498 4.311 -1.169 1.00 0.00 C ATOM 319 CD2 PHE A 22 -3.060 3.049 -2.447 1.00 0.00 C ATOM 320 CE1 PHE A 22 -1.190 5.062 -2.284 1.00 0.00 C ATOM 321 CE2 PHE A 22 -2.758 3.798 -3.566 1.00 0.00 C ATOM 322 CZ PHE A 22 -1.820 4.806 -3.484 1.00 0.00 C ATOM 0 H PHE A 22 0.019 1.888 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.922 0.923 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.753 2.047 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.779 3.116 0.849 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.001 4.517 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.793 2.258 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.455 5.851 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.255 3.595 -4.503 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.579 5.394 -4.358 1.00 0.00 H new ATOM 332 N TYR A 23 -2.888 -0.628 -0.608 1.00 0.00 N ATOM 333 CA TYR A 23 -3.162 -1.707 -1.560 1.00 0.00 C ATOM 334 C TYR A 23 -4.141 -1.263 -2.642 1.00 0.00 C ATOM 335 O TYR A 23 -5.126 -0.580 -2.364 1.00 0.00 O ATOM 336 CB TYR A 23 -3.709 -2.946 -0.850 1.00 0.00 C ATOM 337 CG TYR A 23 -3.925 -4.114 -1.785 1.00 0.00 C ATOM 338 CD1 TYR A 23 -2.848 -4.762 -2.375 1.00 0.00 C ATOM 339 CD2 TYR A 23 -5.203 -4.561 -2.089 1.00 0.00 C ATOM 340 CE1 TYR A 23 -3.039 -5.822 -3.241 1.00 0.00 C ATOM 341 CE2 TYR A 23 -5.403 -5.621 -2.951 1.00 0.00 C ATOM 342 CZ TYR A 23 -4.319 -6.248 -3.524 1.00 0.00 C ATOM 343 OH TYR A 23 -4.515 -7.303 -4.385 1.00 0.00 O ATOM 0 H TYR A 23 -3.461 -0.647 0.235 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.213 -1.961 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.017 -3.242 -0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.653 -2.694 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.844 -4.432 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.056 -4.071 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.190 -6.314 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.405 -5.957 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.475 -7.477 -4.476 1.00 0.00 H new ATOM 353 N ASN A 24 -3.869 -1.680 -3.871 1.00 0.00 N ATOM 354 CA ASN A 24 -4.719 -1.348 -5.009 1.00 0.00 C ATOM 355 C ASN A 24 -5.409 -2.601 -5.539 1.00 0.00 C ATOM 356 O ASN A 24 -4.899 -3.264 -6.439 1.00 0.00 O ATOM 357 CB ASN A 24 -3.881 -0.697 -6.117 1.00 0.00 C ATOM 358 CG ASN A 24 -4.695 -0.351 -7.346 1.00 0.00 C ATOM 359 OD1 ASN A 24 -5.700 -0.996 -7.647 1.00 0.00 O ATOM 360 ND2 ASN A 24 -4.256 0.668 -8.071 1.00 0.00 N ATOM 0 H ASN A 24 -3.060 -2.254 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.483 -0.643 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.416 0.209 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.074 -1.373 -6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.756 0.946 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.418 1.175 -7.784 1.00 0.00 H new ATOM 367 N ALA A 25 -6.572 -2.918 -4.978 1.00 0.00 N ATOM 368 CA ALA A 25 -7.327 -4.096 -5.396 1.00 0.00 C ATOM 369 C ALA A 25 -7.566 -4.093 -6.904 1.00 0.00 C ATOM 370 O ALA A 25 -7.739 -5.147 -7.517 1.00 0.00 O ATOM 371 CB ALA A 25 -8.652 -4.162 -4.652 1.00 0.00 C ATOM 0 H ALA A 25 -7.012 -2.377 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.737 -4.979 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.206 -5.045 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.465 -4.221 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.237 -3.268 -4.870 1.00 0.00 H new ATOM 377 N LYS A 26 -7.565 -2.904 -7.497 1.00 0.00 N ATOM 378 CA LYS A 26 -7.779 -2.763 -8.933 1.00 0.00 C ATOM 379 C LYS A 26 -6.505 -3.069 -9.726 1.00 0.00 C ATOM 380 O LYS A 26 -6.525 -3.078 -10.957 1.00 0.00 O ATOM 381 CB LYS A 26 -8.265 -1.347 -9.256 1.00 0.00 C ATOM 382 CG LYS A 26 -9.755 -1.269 -9.549 1.00 0.00 C ATOM 383 CD LYS A 26 -10.141 0.087 -10.119 1.00 0.00 C ATOM 384 CE LYS A 26 -10.249 0.044 -11.634 1.00 0.00 C ATOM 385 NZ LYS A 26 -11.487 -0.651 -12.084 1.00 0.00 N ATOM 0 H LYS A 26 -7.418 -2.023 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.540 -3.486 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.033 -0.692 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.713 -0.970 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.030 -2.053 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.317 -1.453 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.094 0.404 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.399 0.830 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.240 1.061 -12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.377 -0.465 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.315 -1.106 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.753 -1.373 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.258 0.040 -12.179 1.00 0.00 H new ATOM 399 N ALA A 27 -5.397 -3.312 -9.026 1.00 0.00 N ATOM 400 CA ALA A 27 -4.130 -3.608 -9.695 1.00 0.00 C ATOM 401 C ALA A 27 -3.335 -4.708 -8.982 1.00 0.00 C ATOM 402 O ALA A 27 -2.244 -5.071 -9.421 1.00 0.00 O ATOM 403 CB ALA A 27 -3.292 -2.342 -9.812 1.00 0.00 C ATOM 0 H ALA A 27 -5.350 -3.310 -8.007 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.369 -3.981 -10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.351 -2.573 -10.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.837 -1.597 -10.392 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.087 -1.948 -8.817 1.00 0.00 H new ATOM 409 N GLY A 28 -3.888 -5.250 -7.899 1.00 0.00 N ATOM 410 CA GLY A 28 -3.228 -6.313 -7.173 1.00 0.00 C ATOM 411 C GLY A 28 -1.949 -5.900 -6.457 1.00 0.00 C ATOM 412 O GLY A 28 -1.368 -6.697 -5.721 1.00 0.00 O ATOM 0 H GLY A 28 -4.788 -4.966 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.924 -6.719 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.994 -7.118 -7.869 1.00 0.00 H new ATOM 416 N LEU A 29 -1.501 -4.670 -6.669 1.00 0.00 N ATOM 417 CA LEU A 29 -0.277 -4.189 -6.031 1.00 0.00 C ATOM 418 C LEU A 29 -0.540 -2.938 -5.197 1.00 0.00 C ATOM 419 O LEU A 29 -1.641 -2.393 -5.209 1.00 0.00 O ATOM 420 CB LEU A 29 0.789 -3.895 -7.089 1.00 0.00 C ATOM 421 CG LEU A 29 1.929 -4.912 -7.162 1.00 0.00 C ATOM 422 CD1 LEU A 29 1.445 -6.209 -7.793 1.00 0.00 C ATOM 423 CD2 LEU A 29 3.102 -4.341 -7.944 1.00 0.00 C ATOM 0 H LEU A 29 -1.961 -3.989 -7.273 1.00 0.00 H new ATOM 0 HA LEU A 29 0.082 -4.972 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.306 -3.844 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.213 -2.911 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 29 2.265 -5.128 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.269 -6.922 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.636 -6.626 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.083 -6.010 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.904 -5.078 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.780 -4.097 -8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.463 -3.439 -7.451 1.00 0.00 H new ATOM 435 N CYS A 30 0.484 -2.486 -4.477 1.00 0.00 N ATOM 436 CA CYS A 30 0.362 -1.294 -3.648 1.00 0.00 C ATOM 437 C CYS A 30 1.021 -0.098 -4.316 1.00 0.00 C ATOM 438 O CYS A 30 1.755 -0.241 -5.295 1.00 0.00 O ATOM 439 CB CYS A 30 0.984 -1.502 -2.268 1.00 0.00 C ATOM 440 SG CYS A 30 0.878 -3.208 -1.631 1.00 0.00 S ATOM 0 H CYS A 30 1.404 -2.927 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.704 -1.101 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.033 -1.209 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.495 -0.834 -1.560 1.00 0.00 H new ATOM 445 N GLN A 31 0.757 1.078 -3.772 1.00 0.00 N ATOM 446 CA GLN A 31 1.323 2.309 -4.307 1.00 0.00 C ATOM 447 C GLN A 31 1.559 3.344 -3.208 1.00 0.00 C ATOM 448 O GLN A 31 0.913 3.311 -2.154 1.00 0.00 O ATOM 449 CB GLN A 31 0.404 2.897 -5.381 1.00 0.00 C ATOM 450 CG GLN A 31 0.561 2.244 -6.744 1.00 0.00 C ATOM 451 CD GLN A 31 -0.404 2.806 -7.770 1.00 0.00 C ATOM 452 OE1 GLN A 31 0.006 3.321 -8.810 1.00 0.00 O ATOM 453 NE2 GLN A 31 -1.697 2.711 -7.480 1.00 0.00 N ATOM 0 H GLN A 31 0.154 1.208 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 31 2.286 2.059 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.631 2.795 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.605 3.964 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.583 2.385 -7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.401 1.170 -6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.993 2.276 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.394 3.073 -8.131 1.00 0.00 H new ATOM 462 N THR A 32 2.477 4.271 -3.478 1.00 0.00 N ATOM 463 CA THR A 32 2.789 5.350 -2.548 1.00 0.00 C ATOM 464 C THR A 32 1.737 6.447 -2.656 1.00 0.00 C ATOM 465 O THR A 32 1.187 6.686 -3.730 1.00 0.00 O ATOM 466 CB THR A 32 4.179 5.926 -2.833 1.00 0.00 C ATOM 467 OG1 THR A 32 4.621 6.725 -1.751 1.00 0.00 O ATOM 468 CG2 THR A 32 4.235 6.779 -4.084 1.00 0.00 C ATOM 0 H THR A 32 3.020 4.294 -4.341 1.00 0.00 H new ATOM 0 HA THR A 32 2.785 4.947 -1.535 1.00 0.00 H new ATOM 0 HB THR A 32 4.824 5.059 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.511 7.083 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.249 7.154 -4.224 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.948 6.178 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.548 7.620 -3.982 1.00 0.00 H new ATOM 476 N PHE A 33 1.462 7.117 -1.546 1.00 0.00 N ATOM 477 CA PHE A 33 0.468 8.185 -1.533 1.00 0.00 C ATOM 478 C PHE A 33 0.909 9.366 -2.394 1.00 0.00 C ATOM 479 O PHE A 33 1.922 10.009 -2.118 1.00 0.00 O ATOM 480 CB PHE A 33 0.202 8.636 -0.099 1.00 0.00 C ATOM 481 CG PHE A 33 -0.716 7.702 0.632 1.00 0.00 C ATOM 482 CD1 PHE A 33 -2.077 7.709 0.382 1.00 0.00 C ATOM 483 CD2 PHE A 33 -0.212 6.802 1.551 1.00 0.00 C ATOM 484 CE1 PHE A 33 -2.920 6.835 1.040 1.00 0.00 C ATOM 485 CE2 PHE A 33 -1.048 5.924 2.211 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.404 5.941 1.956 1.00 0.00 C ATOM 0 H PHE A 33 1.910 6.943 -0.646 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.456 7.794 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.148 8.706 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.234 9.635 -0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.485 8.406 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.848 6.785 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.981 6.851 0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.641 5.224 2.926 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.060 5.256 2.472 1.00 0.00 H new ATOM 496 N ALA A 34 0.137 9.640 -3.441 1.00 0.00 N ATOM 497 CA ALA A 34 0.432 10.738 -4.352 1.00 0.00 C ATOM 498 C ALA A 34 0.118 12.085 -3.707 1.00 0.00 C ATOM 499 O ALA A 34 -0.190 12.157 -2.518 1.00 0.00 O ATOM 500 CB ALA A 34 -0.354 10.567 -5.644 1.00 0.00 C ATOM 0 H ALA A 34 -0.703 9.112 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 34 1.497 10.719 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.128 11.392 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.077 9.625 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.421 10.562 -5.423 1.00 0.00 H new ATOM 506 N TYR A 35 0.191 13.150 -4.504 1.00 0.00 N ATOM 507 CA TYR A 35 -0.081 14.500 -4.018 1.00 0.00 C ATOM 508 C TYR A 35 -1.331 14.545 -3.136 1.00 0.00 C ATOM 509 O TYR A 35 -2.371 13.986 -3.485 1.00 0.00 O ATOM 510 CB TYR A 35 -0.242 15.466 -5.193 1.00 0.00 C ATOM 511 CG TYR A 35 0.459 16.786 -4.978 1.00 0.00 C ATOM 512 CD1 TYR A 35 0.078 17.633 -3.946 1.00 0.00 C ATOM 513 CD2 TYR A 35 1.509 17.179 -5.798 1.00 0.00 C ATOM 514 CE1 TYR A 35 0.726 18.835 -3.735 1.00 0.00 C ATOM 515 CE2 TYR A 35 2.160 18.382 -5.595 1.00 0.00 C ATOM 516 CZ TYR A 35 1.765 19.205 -4.562 1.00 0.00 C ATOM 517 OH TYR A 35 2.413 20.402 -4.356 1.00 0.00 O ATOM 0 H TYR A 35 0.437 13.102 -5.493 1.00 0.00 H new ATOM 0 HA TYR A 35 0.771 14.805 -3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.149 14.997 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.303 15.649 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.738 17.348 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.822 16.535 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.420 19.482 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.973 18.675 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 35 3.121 20.510 -5.025 1.00 0.00 H new ATOM 527 N GLY A 36 -1.216 15.230 -1.999 1.00 0.00 N ATOM 528 CA GLY A 36 -2.315 15.379 -1.072 1.00 0.00 C ATOM 529 C GLY A 36 -3.178 14.138 -0.899 1.00 0.00 C ATOM 530 O GLY A 36 -4.349 14.245 -0.540 1.00 0.00 O ATOM 0 H GLY A 36 -0.356 15.693 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.915 15.664 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.948 16.200 -1.410 1.00 0.00 H new ATOM 534 N ALA A 37 -2.606 12.962 -1.137 1.00 0.00 N ATOM 535 CA ALA A 37 -3.346 11.715 -0.980 1.00 0.00 C ATOM 536 C ALA A 37 -3.637 11.449 0.495 1.00 0.00 C ATOM 537 O ALA A 37 -3.074 12.107 1.369 1.00 0.00 O ATOM 538 CB ALA A 37 -2.576 10.558 -1.593 1.00 0.00 C ATOM 0 H ALA A 37 -1.638 12.846 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.297 11.808 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.143 9.636 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.421 10.746 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.610 10.461 -1.098 1.00 0.00 H new ATOM 544 N CYS A 38 -4.504 10.479 0.774 1.00 0.00 N ATOM 545 CA CYS A 38 -4.842 10.151 2.155 1.00 0.00 C ATOM 546 C CYS A 38 -5.336 8.717 2.294 1.00 0.00 C ATOM 547 O CYS A 38 -6.021 8.191 1.417 1.00 0.00 O ATOM 548 CB CYS A 38 -5.913 11.103 2.683 1.00 0.00 C ATOM 549 SG CYS A 38 -5.270 12.720 3.222 1.00 0.00 S ATOM 0 H CYS A 38 -4.980 9.913 0.071 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.929 10.258 2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.659 11.262 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.424 10.629 3.521 1.00 0.00 H new ATOM 554 N ALA A 39 -5.005 8.104 3.425 1.00 0.00 N ATOM 555 CA ALA A 39 -5.419 6.735 3.712 1.00 0.00 C ATOM 556 C ALA A 39 -6.921 6.668 3.967 1.00 0.00 C ATOM 557 O ALA A 39 -7.597 7.694 4.013 1.00 0.00 O ATOM 558 CB ALA A 39 -4.653 6.192 4.910 1.00 0.00 C ATOM 0 H ALA A 39 -4.448 8.536 4.162 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.192 6.118 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.972 5.170 5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.585 6.203 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.853 6.814 5.782 1.00 0.00 H new ATOM 564 N ALA A 40 -7.439 5.455 4.136 1.00 0.00 N ATOM 565 CA ALA A 40 -8.865 5.270 4.389 1.00 0.00 C ATOM 566 C ALA A 40 -9.104 4.492 5.674 1.00 0.00 C ATOM 567 O ALA A 40 -10.066 3.732 5.783 1.00 0.00 O ATOM 568 CB ALA A 40 -9.527 4.576 3.209 1.00 0.00 C ATOM 0 H ALA A 40 -6.898 4.591 4.103 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.315 6.255 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.590 4.445 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.402 5.183 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.065 3.601 3.054 1.00 0.00 H new ATOM 574 N LYS A 41 -8.222 4.714 6.645 1.00 0.00 N ATOM 575 CA LYS A 41 -8.299 4.070 7.960 1.00 0.00 C ATOM 576 C LYS A 41 -7.507 2.766 7.991 1.00 0.00 C ATOM 577 O LYS A 41 -6.495 2.659 8.683 1.00 0.00 O ATOM 578 CB LYS A 41 -9.750 3.812 8.364 1.00 0.00 C ATOM 579 CG LYS A 41 -9.959 3.726 9.867 1.00 0.00 C ATOM 580 CD LYS A 41 -9.895 5.096 10.524 1.00 0.00 C ATOM 581 CE LYS A 41 -8.601 5.281 11.302 1.00 0.00 C ATOM 582 NZ LYS A 41 -8.558 6.594 12.001 1.00 0.00 N ATOM 0 H LYS A 41 -7.429 5.348 6.545 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.854 4.757 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.377 4.609 7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.086 2.882 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.926 3.268 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.199 3.077 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.976 5.871 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.745 5.219 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.498 4.478 12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.753 5.204 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.661 6.682 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.631 7.361 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.352 6.657 12.670 1.00 0.00 H new ATOM 596 N ARG A 42 -7.989 1.768 7.256 1.00 0.00 N ATOM 597 CA ARG A 42 -7.340 0.462 7.218 1.00 0.00 C ATOM 598 C ARG A 42 -6.263 0.395 6.139 1.00 0.00 C ATOM 599 O ARG A 42 -5.218 -0.228 6.333 1.00 0.00 O ATOM 600 CB ARG A 42 -8.374 -0.640 6.972 1.00 0.00 C ATOM 601 CG ARG A 42 -9.278 -0.916 8.163 1.00 0.00 C ATOM 602 CD ARG A 42 -10.490 0.002 8.170 1.00 0.00 C ATOM 603 NE ARG A 42 -11.671 -0.656 8.729 1.00 0.00 N ATOM 604 CZ ARG A 42 -12.759 -0.974 8.024 1.00 0.00 C ATOM 605 NH1 ARG A 42 -12.832 -0.699 6.726 1.00 0.00 N ATOM 606 NH2 ARG A 42 -13.780 -1.573 8.622 1.00 0.00 N ATOM 0 H ARG A 42 -8.827 1.839 6.679 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.863 0.311 8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.991 -0.361 6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.853 -1.559 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.608 -1.955 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.715 -0.783 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.264 0.897 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.704 0.328 7.152 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.663 -0.887 9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.051 -0.240 6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.669 -0.947 6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.732 -1.789 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.613 -1.817 8.086 1.00 0.00 H new ATOM 620 N ASN A 43 -6.546 0.984 4.981 1.00 0.00 N ATOM 621 CA ASN A 43 -5.624 0.945 3.861 1.00 0.00 C ATOM 622 C ASN A 43 -4.457 1.901 4.095 1.00 0.00 C ATOM 623 O ASN A 43 -4.367 2.960 3.473 1.00 0.00 O ATOM 624 CB ASN A 43 -6.381 1.353 2.599 1.00 0.00 C ATOM 625 CG ASN A 43 -6.158 0.382 1.477 1.00 0.00 C ATOM 626 OD1 ASN A 43 -5.360 0.602 0.565 1.00 0.00 O ATOM 627 ND2 ASN A 43 -6.892 -0.713 1.562 1.00 0.00 N ATOM 0 H ASN A 43 -7.410 1.494 4.798 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.223 -0.063 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.447 1.416 2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.060 2.347 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.815 -1.435 0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.536 -0.836 2.344 1.00 0.00 H new ATOM 634 N ASN A 44 -3.571 1.527 5.010 1.00 0.00 N ATOM 635 CA ASN A 44 -2.421 2.363 5.337 1.00 0.00 C ATOM 636 C ASN A 44 -1.272 1.544 5.925 1.00 0.00 C ATOM 637 O ASN A 44 -1.217 1.326 7.136 1.00 0.00 O ATOM 638 CB ASN A 44 -2.845 3.452 6.329 1.00 0.00 C ATOM 639 CG ASN A 44 -1.676 4.263 6.853 1.00 0.00 C ATOM 640 OD1 ASN A 44 -1.128 5.112 6.151 1.00 0.00 O ATOM 641 ND2 ASN A 44 -1.291 4.005 8.097 1.00 0.00 N ATOM 0 H ASN A 44 -3.625 0.655 5.537 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.063 2.818 4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.556 4.121 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.364 2.989 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.512 4.520 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.775 3.292 8.643 1.00 0.00 H new ATOM 648 N PHE A 45 -0.345 1.110 5.073 1.00 0.00 N ATOM 649 CA PHE A 45 0.801 0.340 5.527 1.00 0.00 C ATOM 650 C PHE A 45 2.053 1.211 5.509 1.00 0.00 C ATOM 651 O PHE A 45 2.343 1.875 4.513 1.00 0.00 O ATOM 652 CB PHE A 45 1.003 -0.881 4.634 1.00 0.00 C ATOM 653 CG PHE A 45 -0.150 -1.842 4.676 1.00 0.00 C ATOM 654 CD1 PHE A 45 -0.244 -2.790 5.684 1.00 0.00 C ATOM 655 CD2 PHE A 45 -1.147 -1.791 3.716 1.00 0.00 C ATOM 656 CE1 PHE A 45 -1.310 -3.670 5.730 1.00 0.00 C ATOM 657 CE2 PHE A 45 -2.214 -2.668 3.755 1.00 0.00 C ATOM 658 CZ PHE A 45 -2.297 -3.608 4.764 1.00 0.00 C ATOM 0 H PHE A 45 -0.369 1.280 4.068 1.00 0.00 H new ATOM 0 HA PHE A 45 0.616 0.003 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.155 -0.550 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.912 -1.400 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.524 -2.842 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.090 -1.056 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.371 -4.405 6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.982 -2.619 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.131 -4.293 4.798 1.00 0.00 H new ATOM 668 N LYS A 46 2.788 1.214 6.616 1.00 0.00 N ATOM 669 CA LYS A 46 4.004 2.012 6.719 1.00 0.00 C ATOM 670 C LYS A 46 5.055 1.555 5.708 1.00 0.00 C ATOM 671 O LYS A 46 6.046 2.249 5.477 1.00 0.00 O ATOM 672 CB LYS A 46 4.575 1.933 8.135 1.00 0.00 C ATOM 673 CG LYS A 46 5.734 2.887 8.376 1.00 0.00 C ATOM 674 CD LYS A 46 6.110 2.943 9.848 1.00 0.00 C ATOM 675 CE LYS A 46 7.165 4.006 10.116 1.00 0.00 C ATOM 676 NZ LYS A 46 8.377 3.434 10.765 1.00 0.00 N ATOM 0 H LYS A 46 2.564 0.675 7.452 1.00 0.00 H new ATOM 0 HA LYS A 46 3.742 3.046 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.782 2.150 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.908 0.913 8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.597 2.569 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.464 3.885 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.221 3.153 10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.484 1.970 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.447 4.483 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.744 4.783 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.072 4.190 10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.113 3.001 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.794 2.711 10.145 1.00 0.00 H new ATOM 690 N SER A 47 4.838 0.389 5.105 1.00 0.00 N ATOM 691 CA SER A 47 5.772 -0.141 4.125 1.00 0.00 C ATOM 692 C SER A 47 5.065 -1.001 3.096 1.00 0.00 C ATOM 693 O SER A 47 4.112 -1.713 3.413 1.00 0.00 O ATOM 694 CB SER A 47 6.860 -0.967 4.810 1.00 0.00 C ATOM 695 OG SER A 47 6.507 -1.276 6.147 1.00 0.00 O ATOM 0 H SER A 47 4.025 -0.202 5.279 1.00 0.00 H new ATOM 0 HA SER A 47 6.226 0.710 3.617 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.024 -1.889 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.800 -0.415 4.798 1.00 0.00 H new ATOM 0 HG SER A 47 7.221 -1.806 6.560 1.00 0.00 H new ATOM 701 N ALA A 48 5.553 -0.952 1.865 1.00 0.00 N ATOM 702 CA ALA A 48 4.973 -1.750 0.798 1.00 0.00 C ATOM 703 C ALA A 48 5.073 -3.220 1.151 1.00 0.00 C ATOM 704 O ALA A 48 4.176 -4.005 0.848 1.00 0.00 O ATOM 705 CB ALA A 48 5.656 -1.465 -0.533 1.00 0.00 C ATOM 0 H ALA A 48 6.343 -0.372 1.583 1.00 0.00 H new ATOM 0 HA ALA A 48 3.922 -1.481 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.202 -2.076 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.539 -0.411 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.717 -1.704 -0.456 1.00 0.00 H new ATOM 711 N GLU A 49 6.156 -3.583 1.830 1.00 0.00 N ATOM 712 CA GLU A 49 6.340 -4.955 2.260 1.00 0.00 C ATOM 713 C GLU A 49 5.187 -5.326 3.174 1.00 0.00 C ATOM 714 O GLU A 49 4.650 -6.430 3.105 1.00 0.00 O ATOM 715 CB GLU A 49 7.674 -5.122 2.991 1.00 0.00 C ATOM 716 CG GLU A 49 8.881 -5.104 2.068 1.00 0.00 C ATOM 717 CD GLU A 49 9.131 -3.735 1.467 1.00 0.00 C ATOM 718 OE1 GLU A 49 8.431 -3.374 0.498 1.00 0.00 O ATOM 719 OE2 GLU A 49 10.029 -3.024 1.967 1.00 0.00 O ATOM 0 H GLU A 49 6.911 -2.949 2.090 1.00 0.00 H new ATOM 0 HA GLU A 49 6.357 -5.613 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.778 -4.324 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.662 -6.063 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.764 -5.420 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.732 -5.828 1.267 1.00 0.00 H new ATOM 726 N ASP A 50 4.794 -4.370 4.012 1.00 0.00 N ATOM 727 CA ASP A 50 3.683 -4.568 4.928 1.00 0.00 C ATOM 728 C ASP A 50 2.378 -4.749 4.153 1.00 0.00 C ATOM 729 O ASP A 50 1.614 -5.674 4.430 1.00 0.00 O ATOM 730 CB ASP A 50 3.567 -3.388 5.895 1.00 0.00 C ATOM 731 CG ASP A 50 3.444 -3.834 7.338 1.00 0.00 C ATOM 732 OD1 ASP A 50 4.492 -4.011 7.997 1.00 0.00 O ATOM 733 OD2 ASP A 50 2.301 -4.008 7.811 1.00 0.00 O ATOM 0 H ASP A 50 5.232 -3.451 4.073 1.00 0.00 H new ATOM 0 HA ASP A 50 3.872 -5.472 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.442 -2.747 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.698 -2.787 5.628 1.00 0.00 H new ATOM 738 N CYS A 51 2.123 -3.870 3.176 1.00 0.00 N ATOM 739 CA CYS A 51 0.907 -3.968 2.376 1.00 0.00 C ATOM 740 C CYS A 51 0.866 -5.302 1.632 1.00 0.00 C ATOM 741 O CYS A 51 -0.109 -6.048 1.724 1.00 0.00 O ATOM 742 CB CYS A 51 0.842 -2.802 1.380 1.00 0.00 C ATOM 743 SG CYS A 51 -0.326 -3.038 -0.003 1.00 0.00 S ATOM 0 H CYS A 51 2.737 -3.094 2.926 1.00 0.00 H new ATOM 0 HA CYS A 51 0.044 -3.916 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.565 -1.897 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.839 -2.637 0.971 1.00 0.00 H new ATOM 748 N LEU A 52 1.934 -5.597 0.901 1.00 0.00 N ATOM 749 CA LEU A 52 2.027 -6.836 0.139 1.00 0.00 C ATOM 750 C LEU A 52 1.837 -8.060 1.035 1.00 0.00 C ATOM 751 O LEU A 52 1.111 -8.987 0.686 1.00 0.00 O ATOM 752 CB LEU A 52 3.378 -6.918 -0.574 1.00 0.00 C ATOM 753 CG LEU A 52 3.589 -5.882 -1.680 1.00 0.00 C ATOM 754 CD1 LEU A 52 5.003 -5.971 -2.234 1.00 0.00 C ATOM 755 CD2 LEU A 52 2.567 -6.073 -2.790 1.00 0.00 C ATOM 0 H LEU A 52 2.751 -4.992 0.820 1.00 0.00 H new ATOM 0 HA LEU A 52 1.227 -6.831 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.170 -6.804 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.485 -7.914 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 52 3.451 -4.889 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.134 -5.226 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.720 -5.784 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.170 -6.966 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.732 -5.328 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.674 -7.071 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.562 -5.957 -2.383 1.00 0.00 H new ATOM 767 N ARG A 53 2.491 -8.064 2.189 1.00 0.00 N ATOM 768 CA ARG A 53 2.382 -9.189 3.109 1.00 0.00 C ATOM 769 C ARG A 53 0.934 -9.411 3.536 1.00 0.00 C ATOM 770 O ARG A 53 0.451 -10.543 3.560 1.00 0.00 O ATOM 771 CB ARG A 53 3.259 -8.962 4.345 1.00 0.00 C ATOM 772 CG ARG A 53 3.914 -10.230 4.866 1.00 0.00 C ATOM 773 CD ARG A 53 2.901 -11.154 5.522 1.00 0.00 C ATOM 774 NE ARG A 53 2.305 -12.080 4.561 1.00 0.00 N ATOM 775 CZ ARG A 53 2.886 -13.209 4.158 1.00 0.00 C ATOM 776 NH1 ARG A 53 4.078 -13.555 4.629 1.00 0.00 N ATOM 777 NH2 ARG A 53 2.272 -13.992 3.282 1.00 0.00 N ATOM 0 H ARG A 53 3.097 -7.309 2.509 1.00 0.00 H new ATOM 0 HA ARG A 53 2.729 -10.080 2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.035 -8.236 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.651 -8.525 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.404 -10.751 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.690 -9.970 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.387 -11.719 6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.115 -10.559 5.988 1.00 0.00 H new ATOM 0 HE ARG A 53 1.389 -11.848 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.554 -12.955 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.518 -14.421 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.356 -13.730 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.715 -14.857 2.972 1.00 0.00 H new ATOM 791 N THR A 54 0.248 -8.327 3.881 1.00 0.00 N ATOM 792 CA THR A 54 -1.142 -8.407 4.321 1.00 0.00 C ATOM 793 C THR A 54 -2.119 -8.507 3.149 1.00 0.00 C ATOM 794 O THR A 54 -2.853 -9.488 3.027 1.00 0.00 O ATOM 795 CB THR A 54 -1.489 -7.196 5.188 1.00 0.00 C ATOM 796 OG1 THR A 54 -0.574 -7.075 6.262 1.00 0.00 O ATOM 797 CG2 THR A 54 -2.881 -7.265 5.779 1.00 0.00 C ATOM 0 H THR A 54 0.631 -7.382 3.865 1.00 0.00 H new ATOM 0 HA THR A 54 -1.243 -9.321 4.907 1.00 0.00 H new ATOM 0 HB THR A 54 -1.436 -6.335 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.259 -6.674 5.938 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.064 -6.376 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.615 -7.315 4.975 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.967 -8.153 6.405 1.00 0.00 H new ATOM 805 N CYS A 55 -2.157 -7.474 2.311 1.00 0.00 N ATOM 806 CA CYS A 55 -3.080 -7.446 1.182 1.00 0.00 C ATOM 807 C CYS A 55 -2.528 -8.152 -0.054 1.00 0.00 C ATOM 808 O CYS A 55 -3.293 -8.680 -0.861 1.00 0.00 O ATOM 809 CB CYS A 55 -3.446 -6.007 0.831 1.00 0.00 C ATOM 810 SG CYS A 55 -3.896 -4.992 2.271 1.00 0.00 S ATOM 0 H CYS A 55 -1.562 -6.650 2.392 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.971 -7.991 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.603 -5.542 0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.280 -6.015 0.129 1.00 0.00 H new ATOM 815 N GLY A 56 -1.210 -8.156 -0.213 1.00 0.00 N ATOM 816 CA GLY A 56 -0.616 -8.802 -1.372 1.00 0.00 C ATOM 817 C GLY A 56 -0.848 -10.301 -1.380 1.00 0.00 C ATOM 818 O GLY A 56 -1.989 -10.758 -1.314 1.00 0.00 O ATOM 0 H GLY A 56 -0.546 -7.728 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.033 -8.368 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.456 -8.603 -1.386 1.00 0.00 H new ATOM 822 N GLY A 57 0.235 -11.068 -1.460 1.00 0.00 N ATOM 823 CA GLY A 57 0.118 -12.515 -1.475 1.00 0.00 C ATOM 824 C GLY A 57 -0.132 -13.058 -2.867 1.00 0.00 C ATOM 825 O GLY A 57 0.655 -13.853 -3.380 1.00 0.00 O ATOM 0 H GLY A 57 1.190 -10.714 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.031 -12.955 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.697 -12.818 -0.818 1.00 0.00 H new ATOM 829 N ALA A 58 -1.228 -12.626 -3.482 1.00 0.00 N ATOM 830 CA ALA A 58 -1.575 -13.072 -4.826 1.00 0.00 C ATOM 831 C ALA A 58 -0.713 -12.374 -5.873 1.00 0.00 C ATOM 832 O ALA A 58 -0.687 -12.847 -7.028 1.00 0.00 O ATOM 833 CB ALA A 58 -3.053 -12.828 -5.101 1.00 0.00 C ATOM 834 OXT ALA A 58 -0.071 -11.359 -5.528 1.00 0.00 O ATOM 0 H ALA A 58 -1.891 -11.968 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.381 -14.143 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.296 -13.166 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.654 -13.380 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.268 -11.763 -5.014 1.00 0.00 H new TER 840 ALA A 58