USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 31 HIS : no HD1:sc= -0.219 X(o=-0.32,f=-0.54) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.853) USER MOD Single : A 17 THR OG1 : rot -70:sc= 1.26 USER MOD Single : A 21 SER OG : rot 180:sc= 0.106 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -177:sc= -0.109 (180deg=-0.118) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -153:sc= -1.2 (180deg=-2.54!) USER MOD Single : A 43 ASN : amide:sc= 2.09 K(o=2.1,f=-4.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00427 X(o=-0.0043,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -8.366 -5.659 -7.390 1.00 0.00 N ATOM 33 CA ARG A 3 -7.337 -6.313 -6.578 1.00 0.00 C ATOM 34 C ARG A 3 -6.923 -5.328 -5.491 1.00 0.00 C ATOM 35 O ARG A 3 -6.446 -4.226 -5.793 1.00 0.00 O ATOM 36 CB ARG A 3 -6.163 -6.733 -7.487 1.00 0.00 C ATOM 37 CG ARG A 3 -5.348 -7.948 -7.019 1.00 0.00 C ATOM 38 CD ARG A 3 -4.579 -7.768 -5.701 1.00 0.00 C ATOM 39 NE ARG A 3 -5.322 -8.272 -4.537 1.00 0.00 N ATOM 40 CZ ARG A 3 -5.455 -9.555 -4.194 1.00 0.00 C ATOM 41 NH1 ARG A 3 -4.939 -10.529 -4.941 1.00 0.00 N ATOM 42 NH2 ARG A 3 -6.108 -9.847 -3.077 1.00 0.00 N ATOM 0 HA ARG A 3 -7.703 -7.222 -6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.557 -6.946 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.487 -5.884 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.024 -8.796 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.635 -8.207 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.623 -8.287 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.358 -6.711 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.775 -7.581 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.430 -10.301 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.053 -11.503 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.495 -9.099 -2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.223 -10.820 -2.793 1.00 0.00 H new ATOM 56 N ARG A 4 -7.210 -5.647 -4.227 1.00 0.00 N ATOM 57 CA ARG A 4 -6.923 -4.818 -3.049 1.00 0.00 C ATOM 58 C ARG A 4 -6.001 -5.597 -2.125 1.00 0.00 C ATOM 59 O ARG A 4 -5.987 -6.827 -2.187 1.00 0.00 O ATOM 60 CB ARG A 4 -8.247 -4.478 -2.319 1.00 0.00 C ATOM 61 CG ARG A 4 -9.031 -3.256 -2.840 1.00 0.00 C ATOM 62 CD ARG A 4 -8.902 -3.103 -4.348 1.00 0.00 C ATOM 63 NE ARG A 4 -9.798 -2.161 -5.016 1.00 0.00 N ATOM 64 CZ ARG A 4 -9.639 -1.819 -6.301 1.00 0.00 C ATOM 65 NH1 ARG A 4 -8.528 -2.156 -6.961 1.00 0.00 N ATOM 66 NH2 ARG A 4 -10.594 -1.160 -6.941 1.00 0.00 N ATOM 0 H ARG A 4 -7.668 -6.526 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.442 -3.887 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.899 -5.349 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.022 -4.314 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.083 -3.359 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.665 -2.354 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.877 -2.804 -4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.051 -4.084 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.568 -1.752 -4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.792 -2.678 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.416 -1.891 -7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.455 -0.911 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.468 -0.902 -7.920 1.00 0.00 H new ATOM 80 N VAL A 5 -5.301 -4.896 -1.238 1.00 0.00 N ATOM 81 CA VAL A 5 -4.582 -5.486 -0.113 1.00 0.00 C ATOM 82 C VAL A 5 -4.822 -4.598 1.117 1.00 0.00 C ATOM 83 O VAL A 5 -5.281 -3.465 0.975 1.00 0.00 O ATOM 84 CB VAL A 5 -3.090 -5.687 -0.430 1.00 0.00 C ATOM 85 CG1 VAL A 5 -2.892 -6.653 -1.601 1.00 0.00 C ATOM 86 CG2 VAL A 5 -2.370 -4.365 -0.710 1.00 0.00 C ATOM 0 H VAL A 5 -5.216 -3.881 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.959 -6.487 0.094 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.644 -6.124 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.827 -6.772 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.325 -7.621 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.383 -6.254 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.320 -4.561 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.832 -3.873 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.444 -3.718 0.164 1.00 0.00 H new ATOM 96 N ARG A 6 -4.532 -5.073 2.327 1.00 0.00 N ATOM 97 CA ARG A 6 -4.827 -4.400 3.601 1.00 0.00 C ATOM 98 C ARG A 6 -3.532 -4.356 4.402 1.00 0.00 C ATOM 99 O ARG A 6 -2.936 -5.411 4.569 1.00 0.00 O ATOM 100 CB ARG A 6 -5.886 -5.252 4.328 1.00 0.00 C ATOM 101 CG ARG A 6 -6.093 -4.963 5.828 1.00 0.00 C ATOM 102 CD ARG A 6 -7.035 -3.786 6.104 1.00 0.00 C ATOM 103 NE ARG A 6 -8.374 -4.025 5.539 1.00 0.00 N ATOM 104 CZ ARG A 6 -9.219 -4.966 5.964 1.00 0.00 C ATOM 105 NH1 ARG A 6 -9.032 -5.664 7.080 1.00 0.00 N ATOM 106 NH2 ARG A 6 -10.282 -5.217 5.227 1.00 0.00 N ATOM 0 H ARG A 6 -4.067 -5.972 2.457 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.203 -3.386 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.841 -5.116 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.613 -6.302 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.491 -5.856 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.126 -4.758 6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.115 -3.627 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.616 -2.875 5.677 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.677 -3.429 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.210 -5.491 7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.711 -6.373 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.437 -4.698 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.950 -5.930 5.521 1.00 0.00 H new ATOM 120 N ALA A 7 -3.109 -3.212 4.941 1.00 0.00 N ATOM 121 CA ALA A 7 -1.989 -3.139 5.865 1.00 0.00 C ATOM 122 C ALA A 7 -2.404 -3.748 7.191 1.00 0.00 C ATOM 123 O ALA A 7 -3.373 -3.300 7.820 1.00 0.00 O ATOM 124 CB ALA A 7 -1.582 -1.673 6.080 1.00 0.00 C ATOM 0 H ALA A 7 -3.539 -2.308 4.745 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.141 -3.686 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.742 -1.626 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.290 -1.233 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.425 -1.118 6.493 1.00 0.00 H new ATOM 130 N ILE A 8 -1.636 -4.729 7.659 1.00 0.00 N ATOM 131 CA ILE A 8 -1.797 -5.263 9.002 1.00 0.00 C ATOM 132 C ILE A 8 -0.577 -4.945 9.883 1.00 0.00 C ATOM 133 O ILE A 8 -0.575 -5.324 11.051 1.00 0.00 O ATOM 134 CB ILE A 8 -2.290 -6.729 8.994 1.00 0.00 C ATOM 135 CG1 ILE A 8 -1.174 -7.756 8.739 1.00 0.00 C ATOM 136 CG2 ILE A 8 -3.505 -6.925 8.056 1.00 0.00 C ATOM 137 CD1 ILE A 8 -0.946 -8.169 7.291 1.00 0.00 C ATOM 0 H ILE A 8 -0.891 -5.171 7.120 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.614 -4.741 9.499 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.633 -6.932 10.009 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.241 -7.349 9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.397 -8.652 9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.819 -7.969 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.327 -6.291 8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.226 -6.654 7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.135 -8.895 7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.857 -8.616 6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.683 -7.292 6.700 1.00 0.00 H new ATOM 149 N LEU A 9 0.408 -4.186 9.390 1.00 0.00 N ATOM 150 CA LEU A 9 1.474 -3.546 10.172 1.00 0.00 C ATOM 151 C LEU A 9 1.845 -2.203 9.517 1.00 0.00 C ATOM 152 O LEU A 9 1.550 -2.024 8.333 1.00 0.00 O ATOM 153 CB LEU A 9 2.699 -4.474 10.255 1.00 0.00 C ATOM 154 CG LEU A 9 2.736 -5.427 11.468 1.00 0.00 C ATOM 155 CD1 LEU A 9 3.942 -6.351 11.317 1.00 0.00 C ATOM 156 CD2 LEU A 9 2.860 -4.709 12.823 1.00 0.00 C ATOM 0 H LEU A 9 0.488 -3.992 8.392 1.00 0.00 H new ATOM 0 HA LEU A 9 1.124 -3.359 11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.741 -5.072 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.598 -3.858 10.273 1.00 0.00 H new ATOM 0 HG LEU A 9 1.787 -5.964 11.473 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.986 -7.033 12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.848 -6.924 10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.854 -5.756 11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.879 -5.447 13.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.781 -4.127 12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.007 -4.044 12.962 1.00 0.00 H new ATOM 168 N PRO A 10 2.441 -1.255 10.269 1.00 0.00 N ATOM 169 CA PRO A 10 2.825 0.074 9.789 1.00 0.00 C ATOM 170 C PRO A 10 4.176 0.042 9.056 1.00 0.00 C ATOM 171 O PRO A 10 4.928 -0.928 9.189 1.00 0.00 O ATOM 172 CB PRO A 10 2.934 0.907 11.074 1.00 0.00 C ATOM 173 CG PRO A 10 3.464 -0.094 12.094 1.00 0.00 C ATOM 174 CD PRO A 10 2.823 -1.407 11.667 1.00 0.00 C ATOM 0 HA PRO A 10 2.109 0.476 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.611 1.752 10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.968 1.314 11.373 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.552 -0.152 12.072 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.180 0.180 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.521 -2.235 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.952 -1.630 12.283 1.00 0.00 H new ATOM 182 N TYR A 11 4.519 1.115 8.337 1.00 0.00 N ATOM 183 CA TYR A 11 5.819 1.305 7.699 1.00 0.00 C ATOM 184 C TYR A 11 6.103 2.809 7.568 1.00 0.00 C ATOM 185 O TYR A 11 5.200 3.645 7.669 1.00 0.00 O ATOM 186 CB TYR A 11 5.810 0.610 6.327 1.00 0.00 C ATOM 187 CG TYR A 11 7.140 0.443 5.611 1.00 0.00 C ATOM 188 CD1 TYR A 11 7.921 -0.704 5.847 1.00 0.00 C ATOM 189 CD2 TYR A 11 7.562 1.372 4.640 1.00 0.00 C ATOM 190 CE1 TYR A 11 9.084 -0.944 5.095 1.00 0.00 C ATOM 191 CE2 TYR A 11 8.731 1.146 3.895 1.00 0.00 C ATOM 192 CZ TYR A 11 9.494 -0.021 4.109 1.00 0.00 C ATOM 193 OH TYR A 11 10.655 -0.241 3.431 1.00 0.00 O ATOM 0 H TYR A 11 3.881 1.895 8.180 1.00 0.00 H new ATOM 0 HA TYR A 11 6.612 0.862 8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.372 -0.380 6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.144 1.171 5.671 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.624 -1.406 6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.981 2.266 4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.665 -1.837 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.047 1.868 3.156 1.00 0.00 H new ATOM 0 HH TYR A 11 10.799 0.482 2.785 1.00 0.00 H new ATOM 203 N THR A 12 7.365 3.155 7.325 1.00 0.00 N ATOM 204 CA THR A 12 7.844 4.512 7.117 1.00 0.00 C ATOM 205 C THR A 12 8.567 4.584 5.780 1.00 0.00 C ATOM 206 O THR A 12 9.560 3.879 5.573 1.00 0.00 O ATOM 207 CB THR A 12 8.719 4.931 8.308 1.00 0.00 C ATOM 208 OG1 THR A 12 7.860 5.214 9.389 1.00 0.00 O ATOM 209 CG2 THR A 12 9.571 6.177 8.059 1.00 0.00 C ATOM 0 H THR A 12 8.112 2.463 7.266 1.00 0.00 H new ATOM 0 HA THR A 12 7.017 5.221 7.071 1.00 0.00 H new ATOM 0 HB THR A 12 9.408 4.108 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.391 5.484 10.167 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.157 6.401 8.950 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.242 5.997 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.922 7.022 7.829 1.00 0.00 H new ATOM 217 N LYS A 13 8.058 5.453 4.901 1.00 0.00 N ATOM 218 CA LYS A 13 8.676 5.778 3.626 1.00 0.00 C ATOM 219 C LYS A 13 10.057 6.393 3.823 1.00 0.00 C ATOM 220 O LYS A 13 10.250 7.141 4.789 1.00 0.00 O ATOM 221 CB LYS A 13 7.768 6.713 2.812 1.00 0.00 C ATOM 222 CG LYS A 13 7.565 8.145 3.343 1.00 0.00 C ATOM 223 CD LYS A 13 7.038 9.110 2.268 1.00 0.00 C ATOM 224 CE LYS A 13 8.044 9.280 1.112 1.00 0.00 C ATOM 225 NZ LYS A 13 7.769 10.447 0.253 1.00 0.00 N ATOM 0 H LYS A 13 7.187 5.957 5.066 1.00 0.00 H new ATOM 0 HA LYS A 13 8.805 4.852 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.175 6.783 1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.788 6.243 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.865 8.122 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.512 8.522 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.092 8.736 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.834 10.081 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.048 9.374 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.035 8.379 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.323 10.371 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.756 10.476 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.034 11.318 0.755 1.00 0.00 H new ATOM 239 N VAL A 14 10.970 6.177 2.883 1.00 0.00 N ATOM 240 CA VAL A 14 12.219 6.928 2.825 1.00 0.00 C ATOM 241 C VAL A 14 11.888 8.371 2.403 1.00 0.00 C ATOM 242 O VAL A 14 11.094 8.576 1.478 1.00 0.00 O ATOM 243 CB VAL A 14 13.202 6.226 1.864 1.00 0.00 C ATOM 244 CG1 VAL A 14 14.576 6.906 1.803 1.00 0.00 C ATOM 245 CG2 VAL A 14 13.465 4.775 2.283 1.00 0.00 C ATOM 0 H VAL A 14 10.867 5.481 2.144 1.00 0.00 H new ATOM 0 HA VAL A 14 12.712 6.965 3.797 1.00 0.00 H new ATOM 0 HB VAL A 14 12.713 6.281 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 14 15.220 6.364 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.458 7.934 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 14 15.027 6.904 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.161 4.314 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.894 4.758 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.527 4.220 2.280 1.00 0.00 H new ATOM 255 N PRO A 15 12.469 9.393 3.054 1.00 0.00 N ATOM 256 CA PRO A 15 12.348 10.781 2.626 1.00 0.00 C ATOM 257 C PRO A 15 12.969 10.963 1.237 1.00 0.00 C ATOM 258 O PRO A 15 13.907 10.256 0.873 1.00 0.00 O ATOM 259 CB PRO A 15 13.086 11.596 3.695 1.00 0.00 C ATOM 260 CG PRO A 15 14.071 10.610 4.304 1.00 0.00 C ATOM 261 CD PRO A 15 13.336 9.286 4.210 1.00 0.00 C ATOM 0 HA PRO A 15 11.311 11.104 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.599 12.453 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.397 11.985 4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.012 10.589 3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.311 10.865 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 15 14.036 8.458 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.759 9.095 5.115 1.00 0.00 H new ATOM 269 N ASP A 16 12.492 11.956 0.489 1.00 0.00 N ATOM 270 CA ASP A 16 12.948 12.285 -0.864 1.00 0.00 C ATOM 271 C ASP A 16 12.759 11.105 -1.835 1.00 0.00 C ATOM 272 O ASP A 16 13.621 10.841 -2.678 1.00 0.00 O ATOM 273 CB ASP A 16 14.388 12.846 -0.817 1.00 0.00 C ATOM 274 CG ASP A 16 14.829 13.548 -2.103 1.00 0.00 C ATOM 275 OD1 ASP A 16 13.983 14.133 -2.814 1.00 0.00 O ATOM 276 OD2 ASP A 16 16.053 13.601 -2.376 1.00 0.00 O ATOM 0 H ASP A 16 11.752 12.576 0.818 1.00 0.00 H new ATOM 0 HA ASP A 16 12.320 13.077 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.465 13.549 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.078 12.029 -0.607 1.00 0.00 H new ATOM 281 N THR A 17 11.644 10.369 -1.711 1.00 0.00 N ATOM 282 CA THR A 17 11.274 9.283 -2.620 1.00 0.00 C ATOM 283 C THR A 17 9.774 9.303 -2.954 1.00 0.00 C ATOM 284 O THR A 17 8.976 9.908 -2.227 1.00 0.00 O ATOM 285 CB THR A 17 11.673 7.906 -2.045 1.00 0.00 C ATOM 286 OG1 THR A 17 10.822 7.522 -0.985 1.00 0.00 O ATOM 287 CG2 THR A 17 13.123 7.797 -1.571 1.00 0.00 C ATOM 0 H THR A 17 10.966 10.517 -0.963 1.00 0.00 H new ATOM 0 HA THR A 17 11.828 9.446 -3.545 1.00 0.00 H new ATOM 0 HB THR A 17 11.565 7.230 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.998 8.086 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.305 6.794 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.795 7.992 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.304 8.528 -0.783 1.00 0.00 H new ATOM 295 N ASP A 18 9.403 8.540 -3.991 1.00 0.00 N ATOM 296 CA ASP A 18 8.062 8.335 -4.550 1.00 0.00 C ATOM 297 C ASP A 18 7.096 7.647 -3.565 1.00 0.00 C ATOM 298 O ASP A 18 5.894 7.572 -3.836 1.00 0.00 O ATOM 299 CB ASP A 18 8.124 7.416 -5.798 1.00 0.00 C ATOM 300 CG ASP A 18 9.105 7.756 -6.927 1.00 0.00 C ATOM 301 OD1 ASP A 18 10.290 8.044 -6.615 1.00 0.00 O ATOM 302 OD2 ASP A 18 8.734 7.584 -8.112 1.00 0.00 O ATOM 0 H ASP A 18 10.099 8.001 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 18 7.698 9.334 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.357 6.409 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.124 7.382 -6.231 1.00 0.00 H new ATOM 307 N GLU A 19 7.611 7.075 -2.472 1.00 0.00 N ATOM 308 CA GLU A 19 6.889 6.240 -1.513 1.00 0.00 C ATOM 309 C GLU A 19 5.768 6.995 -0.776 1.00 0.00 C ATOM 310 O GLU A 19 5.699 8.230 -0.785 1.00 0.00 O ATOM 311 CB GLU A 19 7.876 5.707 -0.472 1.00 0.00 C ATOM 312 CG GLU A 19 8.703 4.465 -0.797 1.00 0.00 C ATOM 313 CD GLU A 19 9.157 3.862 0.537 1.00 0.00 C ATOM 314 OE1 GLU A 19 8.293 3.268 1.218 1.00 0.00 O ATOM 315 OE2 GLU A 19 10.309 4.084 0.976 1.00 0.00 O ATOM 0 H GLU A 19 8.593 7.189 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 19 6.425 5.434 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.572 6.512 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.313 5.497 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.111 3.746 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.563 4.726 -1.414 1.00 0.00 H new ATOM 322 N ILE A 20 4.934 6.250 -0.037 1.00 0.00 N ATOM 323 CA ILE A 20 3.923 6.785 0.871 1.00 0.00 C ATOM 324 C ILE A 20 4.016 6.094 2.237 1.00 0.00 C ATOM 325 O ILE A 20 4.204 4.883 2.297 1.00 0.00 O ATOM 326 CB ILE A 20 2.510 6.664 0.255 1.00 0.00 C ATOM 327 CG1 ILE A 20 2.203 5.249 -0.294 1.00 0.00 C ATOM 328 CG2 ILE A 20 2.335 7.706 -0.862 1.00 0.00 C ATOM 329 CD1 ILE A 20 0.707 5.011 -0.512 1.00 0.00 C ATOM 0 H ILE A 20 4.949 5.230 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 20 4.114 7.847 1.025 1.00 0.00 H new ATOM 0 HB ILE A 20 1.800 6.850 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.730 5.108 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.588 4.503 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.337 7.615 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.462 8.707 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.081 7.536 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.551 4.003 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.179 5.123 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.324 5.737 -1.229 1.00 0.00 H new ATOM 341 N SER A 21 3.924 6.854 3.329 1.00 0.00 N ATOM 342 CA SER A 21 3.876 6.355 4.705 1.00 0.00 C ATOM 343 C SER A 21 2.510 5.708 5.008 1.00 0.00 C ATOM 344 O SER A 21 1.489 6.174 4.495 1.00 0.00 O ATOM 345 CB SER A 21 4.142 7.541 5.643 1.00 0.00 C ATOM 346 OG SER A 21 3.489 8.716 5.184 1.00 0.00 O ATOM 0 H SER A 21 3.879 7.872 3.278 1.00 0.00 H new ATOM 0 HA SER A 21 4.632 5.584 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.796 7.298 6.648 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.215 7.721 5.711 1.00 0.00 H new ATOM 0 HG SER A 21 3.674 9.455 5.801 1.00 0.00 H new ATOM 352 N PHE A 22 2.434 4.705 5.893 1.00 0.00 N ATOM 353 CA PHE A 22 1.145 4.180 6.357 1.00 0.00 C ATOM 354 C PHE A 22 1.235 3.519 7.730 1.00 0.00 C ATOM 355 O PHE A 22 2.300 3.067 8.149 1.00 0.00 O ATOM 356 CB PHE A 22 0.569 3.195 5.328 1.00 0.00 C ATOM 357 CG PHE A 22 1.508 2.065 4.950 1.00 0.00 C ATOM 358 CD1 PHE A 22 1.683 0.964 5.811 1.00 0.00 C ATOM 359 CD2 PHE A 22 2.190 2.100 3.719 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.554 -0.078 5.455 1.00 0.00 C ATOM 361 CE2 PHE A 22 3.046 1.045 3.362 1.00 0.00 C ATOM 362 CZ PHE A 22 3.222 -0.050 4.221 1.00 0.00 C ATOM 0 H PHE A 22 3.247 4.243 6.300 1.00 0.00 H new ATOM 0 HA PHE A 22 0.475 5.033 6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.351 2.769 5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.301 3.746 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.146 0.921 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.055 2.937 3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.711 -0.904 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.572 1.077 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.868 -0.867 3.934 1.00 0.00 H new ATOM 372 N LEU A 23 0.095 3.410 8.423 1.00 0.00 N ATOM 373 CA LEU A 23 -0.012 2.648 9.661 1.00 0.00 C ATOM 374 C LEU A 23 -0.782 1.352 9.397 1.00 0.00 C ATOM 375 O LEU A 23 -1.373 1.151 8.336 1.00 0.00 O ATOM 376 CB LEU A 23 -0.656 3.462 10.806 1.00 0.00 C ATOM 377 CG LEU A 23 0.082 4.724 11.295 1.00 0.00 C ATOM 378 CD1 LEU A 23 1.514 4.418 11.746 1.00 0.00 C ATOM 379 CD2 LEU A 23 0.085 5.901 10.313 1.00 0.00 C ATOM 0 H LEU A 23 -0.778 3.851 8.135 1.00 0.00 H new ATOM 0 HA LEU A 23 0.997 2.406 9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.654 3.761 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.783 2.796 11.660 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.509 5.047 12.152 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.994 5.337 12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.492 3.700 12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.076 3.999 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.629 6.738 10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.570 5.599 9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.941 6.204 10.105 1.00 0.00 H new ATOM 391 N LYS A 24 -0.787 0.459 10.388 1.00 0.00 N ATOM 392 CA LYS A 24 -1.652 -0.715 10.423 1.00 0.00 C ATOM 393 C LYS A 24 -3.099 -0.230 10.316 1.00 0.00 C ATOM 394 O LYS A 24 -3.461 0.724 11.010 1.00 0.00 O ATOM 395 CB LYS A 24 -1.378 -1.439 11.752 1.00 0.00 C ATOM 396 CG LYS A 24 -2.261 -2.665 12.019 1.00 0.00 C ATOM 397 CD LYS A 24 -1.717 -3.461 13.222 1.00 0.00 C ATOM 398 CE LYS A 24 -2.400 -4.828 13.375 1.00 0.00 C ATOM 399 NZ LYS A 24 -3.582 -4.790 14.255 1.00 0.00 N ATOM 0 H LYS A 24 -0.178 0.535 11.202 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.466 -1.408 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.334 -1.752 11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.512 -0.730 12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.285 -2.349 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.289 -3.302 11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.643 -3.605 13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.862 -2.881 14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.699 -5.190 12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.681 -5.544 13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.998 -5.741 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.298 -4.472 15.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.284 -4.130 13.865 1.00 0.00 H new ATOM 413 N GLY A 25 -3.912 -0.876 9.482 1.00 0.00 N ATOM 414 CA GLY A 25 -5.348 -0.642 9.408 1.00 0.00 C ATOM 415 C GLY A 25 -5.781 0.210 8.219 1.00 0.00 C ATOM 416 O GLY A 25 -6.981 0.265 7.930 1.00 0.00 O ATOM 0 H GLY A 25 -3.583 -1.588 8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.860 -1.603 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.674 -0.155 10.327 1.00 0.00 H new ATOM 420 N ASP A 26 -4.842 0.841 7.506 1.00 0.00 N ATOM 421 CA ASP A 26 -5.088 1.323 6.142 1.00 0.00 C ATOM 422 C ASP A 26 -5.154 0.129 5.202 1.00 0.00 C ATOM 423 O ASP A 26 -4.789 -1.000 5.549 1.00 0.00 O ATOM 424 CB ASP A 26 -3.987 2.312 5.688 1.00 0.00 C ATOM 425 CG ASP A 26 -4.341 3.792 5.873 1.00 0.00 C ATOM 426 OD1 ASP A 26 -5.540 4.147 5.914 1.00 0.00 O ATOM 427 OD2 ASP A 26 -3.394 4.612 6.006 1.00 0.00 O ATOM 0 H ASP A 26 -3.901 1.030 7.852 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.036 1.861 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.074 2.098 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.769 2.133 4.635 1.00 0.00 H new ATOM 432 N MET A 27 -5.617 0.366 3.982 1.00 0.00 N ATOM 433 CA MET A 27 -5.572 -0.575 2.915 1.00 0.00 C ATOM 434 C MET A 27 -5.331 0.160 1.606 1.00 0.00 C ATOM 435 O MET A 27 -5.444 1.385 1.527 1.00 0.00 O ATOM 436 CB MET A 27 -6.876 -1.346 2.930 1.00 0.00 C ATOM 437 CG MET A 27 -8.116 -0.610 2.471 1.00 0.00 C ATOM 438 SD MET A 27 -9.513 -1.697 2.066 1.00 0.00 S ATOM 439 CE MET A 27 -8.999 -2.233 0.404 1.00 0.00 C ATOM 0 H MET A 27 -6.045 1.254 3.718 1.00 0.00 H new ATOM 0 HA MET A 27 -4.753 -1.285 3.028 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.755 -2.229 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.049 -1.699 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.424 0.084 3.253 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.868 -0.013 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.770 -2.871 -0.027 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.854 -1.359 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.065 -2.790 0.474 1.00 0.00 H new ATOM 449 N PHE A 28 -5.026 -0.620 0.583 1.00 0.00 N ATOM 450 CA PHE A 28 -4.450 -0.156 -0.662 1.00 0.00 C ATOM 451 C PHE A 28 -5.113 -0.871 -1.829 1.00 0.00 C ATOM 452 O PHE A 28 -5.749 -1.924 -1.685 1.00 0.00 O ATOM 453 CB PHE A 28 -2.930 -0.416 -0.683 1.00 0.00 C ATOM 454 CG PHE A 28 -2.174 -0.044 0.580 1.00 0.00 C ATOM 455 CD1 PHE A 28 -2.243 1.265 1.091 1.00 0.00 C ATOM 456 CD2 PHE A 28 -1.416 -1.014 1.262 1.00 0.00 C ATOM 457 CE1 PHE A 28 -1.628 1.580 2.315 1.00 0.00 C ATOM 458 CE2 PHE A 28 -0.778 -0.695 2.469 1.00 0.00 C ATOM 459 CZ PHE A 28 -0.912 0.592 3.009 1.00 0.00 C ATOM 0 H PHE A 28 -5.179 -1.628 0.600 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.620 0.917 -0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.765 -1.475 -0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.498 0.137 -1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.770 2.030 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.325 -2.010 0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.706 2.578 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.185 -1.438 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.462 0.824 3.963 1.00 0.00 H new ATOM 469 N ILE A 29 -4.919 -0.301 -3.009 1.00 0.00 N ATOM 470 CA ILE A 29 -5.478 -0.763 -4.264 1.00 0.00 C ATOM 471 C ILE A 29 -4.325 -0.909 -5.250 1.00 0.00 C ATOM 472 O ILE A 29 -3.510 0.005 -5.351 1.00 0.00 O ATOM 473 CB ILE A 29 -6.568 0.232 -4.715 1.00 0.00 C ATOM 474 CG1 ILE A 29 -6.008 1.626 -5.076 1.00 0.00 C ATOM 475 CG2 ILE A 29 -7.624 0.366 -3.606 1.00 0.00 C ATOM 476 CD1 ILE A 29 -7.098 2.612 -5.468 1.00 0.00 C ATOM 0 H ILE A 29 -4.342 0.533 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.966 -1.734 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.013 -0.170 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.454 2.022 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.300 1.527 -5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.396 1.068 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.076 -0.607 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.151 0.732 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.648 3.574 -5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.636 2.233 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.792 2.736 -4.637 1.00 0.00 H new ATOM 488 N VAL A 30 -4.212 -2.038 -5.950 1.00 0.00 N ATOM 489 CA VAL A 30 -3.164 -2.193 -6.955 1.00 0.00 C ATOM 490 C VAL A 30 -3.479 -1.213 -8.087 1.00 0.00 C ATOM 491 O VAL A 30 -4.611 -1.198 -8.582 1.00 0.00 O ATOM 492 CB VAL A 30 -3.089 -3.651 -7.450 1.00 0.00 C ATOM 493 CG1 VAL A 30 -1.937 -3.808 -8.450 1.00 0.00 C ATOM 494 CG2 VAL A 30 -2.838 -4.635 -6.298 1.00 0.00 C ATOM 0 H VAL A 30 -4.824 -2.847 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.182 -1.970 -6.537 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.049 -3.876 -7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.892 -4.841 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.102 -3.149 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.996 -3.546 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.792 -5.651 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.894 -4.391 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.649 -4.562 -5.574 1.00 0.00 H new ATOM 504 N HIS A 31 -2.517 -0.378 -8.482 1.00 0.00 N ATOM 505 CA HIS A 31 -2.632 0.500 -9.644 1.00 0.00 C ATOM 506 C HIS A 31 -1.464 0.362 -10.617 1.00 0.00 C ATOM 507 O HIS A 31 -1.592 0.772 -11.771 1.00 0.00 O ATOM 508 CB HIS A 31 -2.811 1.952 -9.186 1.00 0.00 C ATOM 509 CG HIS A 31 -4.253 2.373 -9.152 1.00 0.00 C ATOM 510 ND1 HIS A 31 -5.199 2.139 -10.125 1.00 0.00 N ATOM 511 CD2 HIS A 31 -4.847 3.081 -8.152 1.00 0.00 C ATOM 512 CE1 HIS A 31 -6.353 2.682 -9.713 1.00 0.00 C ATOM 513 NE2 HIS A 31 -6.196 3.253 -8.508 1.00 0.00 N ATOM 0 H HIS A 31 -1.624 -0.292 -7.996 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.517 0.189 -10.200 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.378 2.072 -8.193 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.259 2.611 -9.856 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.371 3.443 -7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.278 2.663 -10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -6.916 3.721 -7.958 1.00 0.00 H new ATOM 521 N ASN A 32 -0.359 -0.256 -10.208 1.00 0.00 N ATOM 522 CA ASN A 32 0.574 -0.879 -11.130 1.00 0.00 C ATOM 523 C ASN A 32 1.224 -2.037 -10.410 1.00 0.00 C ATOM 524 O ASN A 32 1.200 -2.134 -9.181 1.00 0.00 O ATOM 525 CB ASN A 32 1.661 0.091 -11.608 1.00 0.00 C ATOM 526 CG ASN A 32 2.057 -0.128 -13.059 1.00 0.00 C ATOM 527 OD1 ASN A 32 1.355 0.331 -13.955 1.00 0.00 O ATOM 528 ND2 ASN A 32 3.173 -0.783 -13.329 1.00 0.00 N ATOM 0 H ASN A 32 -0.089 -0.337 -9.228 1.00 0.00 H new ATOM 0 HA ASN A 32 0.025 -1.205 -12.014 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.307 1.114 -11.484 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.542 -0.020 -10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.465 -0.915 -14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.742 -1.156 -12.569 1.00 0.00 H new ATOM 535 N GLU A 33 1.875 -2.855 -11.208 1.00 0.00 N ATOM 536 CA GLU A 33 2.582 -4.056 -10.795 1.00 0.00 C ATOM 537 C GLU A 33 4.027 -3.860 -11.243 1.00 0.00 C ATOM 538 O GLU A 33 4.279 -3.499 -12.401 1.00 0.00 O ATOM 539 CB GLU A 33 1.900 -5.302 -11.393 1.00 0.00 C ATOM 540 CG GLU A 33 0.585 -5.648 -10.661 1.00 0.00 C ATOM 541 CD GLU A 33 -0.627 -5.858 -11.586 1.00 0.00 C ATOM 542 OE1 GLU A 33 -0.532 -6.624 -12.577 1.00 0.00 O ATOM 543 OE2 GLU A 33 -1.708 -5.267 -11.340 1.00 0.00 O ATOM 0 H GLU A 33 1.931 -2.696 -12.214 1.00 0.00 H new ATOM 0 HA GLU A 33 2.562 -4.219 -9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.693 -5.130 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.581 -6.151 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.739 -6.554 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.354 -4.848 -9.958 1.00 0.00 H new ATOM 550 N LEU A 34 4.966 -3.970 -10.303 1.00 0.00 N ATOM 551 CA LEU A 34 6.385 -3.728 -10.550 1.00 0.00 C ATOM 552 C LEU A 34 7.156 -5.039 -10.345 1.00 0.00 C ATOM 553 O LEU A 34 6.549 -6.116 -10.336 1.00 0.00 O ATOM 554 CB LEU A 34 6.893 -2.546 -9.702 1.00 0.00 C ATOM 555 CG LEU A 34 6.062 -1.245 -9.783 1.00 0.00 C ATOM 556 CD1 LEU A 34 5.997 -0.544 -8.432 1.00 0.00 C ATOM 557 CD2 LEU A 34 6.654 -0.252 -10.778 1.00 0.00 C ATOM 0 H LEU A 34 4.759 -4.232 -9.339 1.00 0.00 H new ATOM 0 HA LEU A 34 6.554 -3.422 -11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.933 -2.863 -8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.915 -2.320 -10.006 1.00 0.00 H new ATOM 0 HG LEU A 34 5.066 -1.549 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.406 0.367 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.533 -1.206 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.005 -0.291 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.039 0.648 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.667 0.009 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.679 -0.702 -11.770 1.00 0.00 H new ATOM 569 N GLU A 35 8.486 -4.964 -10.275 1.00 0.00 N ATOM 570 CA GLU A 35 9.401 -6.106 -10.283 1.00 0.00 C ATOM 571 C GLU A 35 10.494 -5.831 -9.245 1.00 0.00 C ATOM 572 O GLU A 35 11.624 -5.517 -9.614 1.00 0.00 O ATOM 573 CB GLU A 35 9.992 -6.251 -11.701 1.00 0.00 C ATOM 574 CG GLU A 35 9.017 -6.834 -12.737 1.00 0.00 C ATOM 575 CD GLU A 35 9.100 -8.360 -12.871 1.00 0.00 C ATOM 576 OE1 GLU A 35 9.408 -9.052 -11.874 1.00 0.00 O ATOM 577 OE2 GLU A 35 8.883 -8.858 -14.002 1.00 0.00 O ATOM 0 H GLU A 35 8.974 -4.071 -10.209 1.00 0.00 H new ATOM 0 HA GLU A 35 8.894 -7.037 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.326 -5.272 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.874 -6.889 -11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.999 -6.557 -12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.219 -6.381 -13.708 1.00 0.00 H new ATOM 584 N ASP A 36 10.147 -5.834 -7.954 1.00 0.00 N ATOM 585 CA ASP A 36 11.085 -5.708 -6.812 1.00 0.00 C ATOM 586 C ASP A 36 10.412 -6.038 -5.461 1.00 0.00 C ATOM 587 O ASP A 36 10.906 -5.640 -4.407 1.00 0.00 O ATOM 588 CB ASP A 36 11.686 -4.286 -6.759 1.00 0.00 C ATOM 589 CG ASP A 36 13.004 -4.106 -5.998 1.00 0.00 C ATOM 590 OD1 ASP A 36 13.641 -5.058 -5.499 1.00 0.00 O ATOM 591 OD2 ASP A 36 13.417 -2.929 -5.892 1.00 0.00 O ATOM 0 H ASP A 36 9.176 -5.927 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 36 11.880 -6.436 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.839 -3.947 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.945 -3.624 -6.311 1.00 0.00 H new ATOM 596 N GLY A 37 9.242 -6.684 -5.464 1.00 0.00 N ATOM 597 CA GLY A 37 8.378 -6.868 -4.296 1.00 0.00 C ATOM 598 C GLY A 37 7.770 -5.545 -3.823 1.00 0.00 C ATOM 599 O GLY A 37 7.664 -5.307 -2.617 1.00 0.00 O ATOM 0 H GLY A 37 8.858 -7.107 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.579 -7.568 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.954 -7.314 -3.485 1.00 0.00 H new ATOM 603 N TRP A 38 7.405 -4.678 -4.767 1.00 0.00 N ATOM 604 CA TRP A 38 6.817 -3.364 -4.557 1.00 0.00 C ATOM 605 C TRP A 38 5.692 -3.202 -5.579 1.00 0.00 C ATOM 606 O TRP A 38 5.794 -3.703 -6.700 1.00 0.00 O ATOM 607 CB TRP A 38 7.890 -2.282 -4.773 1.00 0.00 C ATOM 608 CG TRP A 38 8.832 -2.048 -3.631 1.00 0.00 C ATOM 609 CD1 TRP A 38 10.071 -2.566 -3.471 1.00 0.00 C ATOM 610 CD2 TRP A 38 8.627 -1.179 -2.482 1.00 0.00 C ATOM 611 NE1 TRP A 38 10.634 -2.086 -2.304 1.00 0.00 N ATOM 612 CE2 TRP A 38 9.778 -1.232 -1.647 1.00 0.00 C ATOM 613 CE3 TRP A 38 7.571 -0.349 -2.069 1.00 0.00 C ATOM 614 CZ2 TRP A 38 9.868 -0.510 -0.447 1.00 0.00 C ATOM 615 CZ3 TRP A 38 7.640 0.374 -0.866 1.00 0.00 C ATOM 616 CH2 TRP A 38 8.784 0.292 -0.052 1.00 0.00 C ATOM 0 H TRP A 38 7.521 -4.892 -5.758 1.00 0.00 H new ATOM 0 HA TRP A 38 6.429 -3.264 -3.543 1.00 0.00 H new ATOM 0 HB2 TRP A 38 8.476 -2.551 -5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 38 7.388 -1.342 -5.001 1.00 0.00 H new ATOM 0 HD1 TRP A 38 10.549 -3.253 -4.154 1.00 0.00 H new ATOM 0 HE1 TRP A 38 11.566 -2.333 -1.972 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.690 -0.265 -2.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.757 -0.570 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.810 0.996 -0.565 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.829 0.844 0.875 1.00 0.00 H new ATOM 627 N MET A 39 4.650 -2.449 -5.230 1.00 0.00 N ATOM 628 CA MET A 39 3.511 -2.154 -6.098 1.00 0.00 C ATOM 629 C MET A 39 3.192 -0.671 -5.996 1.00 0.00 C ATOM 630 O MET A 39 3.262 -0.105 -4.903 1.00 0.00 O ATOM 631 CB MET A 39 2.280 -2.946 -5.651 1.00 0.00 C ATOM 632 CG MET A 39 2.462 -4.464 -5.756 1.00 0.00 C ATOM 633 SD MET A 39 1.288 -5.396 -4.747 1.00 0.00 S ATOM 634 CE MET A 39 1.896 -4.945 -3.094 1.00 0.00 C ATOM 0 H MET A 39 4.573 -2.015 -4.310 1.00 0.00 H new ATOM 0 HA MET A 39 3.764 -2.429 -7.122 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.045 -2.686 -4.619 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.425 -2.647 -6.257 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.354 -4.765 -6.798 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.477 -4.723 -5.453 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.652 -5.738 -2.388 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.977 -4.810 -3.128 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.424 -4.016 -2.774 1.00 0.00 H new ATOM 644 N TRP A 40 2.799 -0.058 -7.116 1.00 0.00 N ATOM 645 CA TRP A 40 2.178 1.254 -7.095 1.00 0.00 C ATOM 646 C TRP A 40 0.723 1.106 -6.677 1.00 0.00 C ATOM 647 O TRP A 40 0.013 0.234 -7.194 1.00 0.00 O ATOM 648 CB TRP A 40 2.253 1.911 -8.469 1.00 0.00 C ATOM 649 CG TRP A 40 1.895 3.357 -8.419 1.00 0.00 C ATOM 650 CD1 TRP A 40 0.648 3.875 -8.436 1.00 0.00 C ATOM 651 CD2 TRP A 40 2.795 4.483 -8.252 1.00 0.00 C ATOM 652 NE1 TRP A 40 0.723 5.247 -8.332 1.00 0.00 N ATOM 653 CE2 TRP A 40 2.029 5.682 -8.198 1.00 0.00 C ATOM 654 CE3 TRP A 40 4.191 4.587 -8.126 1.00 0.00 C ATOM 655 CZ2 TRP A 40 2.632 6.939 -8.031 1.00 0.00 C ATOM 656 CZ3 TRP A 40 4.811 5.839 -7.958 1.00 0.00 C ATOM 657 CH2 TRP A 40 4.034 7.013 -7.913 1.00 0.00 C ATOM 0 H TRP A 40 2.904 -0.458 -8.049 1.00 0.00 H new ATOM 0 HA TRP A 40 2.710 1.886 -6.384 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.261 1.801 -8.868 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.581 1.395 -9.154 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.265 3.304 -8.518 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.087 5.867 -8.351 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.796 3.693 -8.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.030 7.835 -7.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.885 5.900 -7.863 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.514 7.972 -7.788 1.00 0.00 H new ATOM 668 N VAL A 41 0.264 1.978 -5.785 1.00 0.00 N ATOM 669 CA VAL A 41 -1.061 1.917 -5.199 1.00 0.00 C ATOM 670 C VAL A 41 -1.649 3.322 -5.036 1.00 0.00 C ATOM 671 O VAL A 41 -1.079 4.330 -5.462 1.00 0.00 O ATOM 672 CB VAL A 41 -1.001 1.140 -3.860 1.00 0.00 C ATOM 673 CG1 VAL A 41 -0.482 -0.300 -4.004 1.00 0.00 C ATOM 674 CG2 VAL A 41 -0.162 1.867 -2.800 1.00 0.00 C ATOM 0 H VAL A 41 0.819 2.763 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.732 1.377 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.039 1.093 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.468 -0.781 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.137 -0.858 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.527 -0.284 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.151 1.282 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.858 1.989 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.596 2.847 -2.601 1.00 0.00 H new ATOM 684 N THR A 42 -2.802 3.395 -4.383 1.00 0.00 N ATOM 685 CA THR A 42 -3.280 4.590 -3.713 1.00 0.00 C ATOM 686 C THR A 42 -3.711 4.149 -2.311 1.00 0.00 C ATOM 687 O THR A 42 -4.141 2.997 -2.139 1.00 0.00 O ATOM 688 CB THR A 42 -4.408 5.217 -4.547 1.00 0.00 C ATOM 689 OG1 THR A 42 -3.982 5.336 -5.893 1.00 0.00 O ATOM 690 CG2 THR A 42 -4.832 6.596 -4.056 1.00 0.00 C ATOM 0 H THR A 42 -3.443 2.605 -4.305 1.00 0.00 H new ATOM 0 HA THR A 42 -2.522 5.367 -3.615 1.00 0.00 H new ATOM 0 HB THR A 42 -5.269 4.556 -4.450 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.699 5.734 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.631 6.978 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.188 6.523 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.980 7.275 -4.097 1.00 0.00 H new ATOM 698 N ASN A 43 -3.556 5.021 -1.311 1.00 0.00 N ATOM 699 CA ASN A 43 -4.012 4.769 0.039 1.00 0.00 C ATOM 700 C ASN A 43 -5.357 5.443 0.217 1.00 0.00 C ATOM 701 O ASN A 43 -5.499 6.637 -0.067 1.00 0.00 O ATOM 702 CB ASN A 43 -3.045 5.384 1.046 1.00 0.00 C ATOM 703 CG ASN A 43 -3.345 4.933 2.469 1.00 0.00 C ATOM 704 OD1 ASN A 43 -4.198 4.086 2.704 1.00 0.00 O ATOM 705 ND2 ASN A 43 -2.726 5.533 3.462 1.00 0.00 N ATOM 0 H ASN A 43 -3.104 5.928 -1.428 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.076 3.693 0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.024 5.107 0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.104 6.471 0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.956 5.293 4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.015 6.239 3.268 1.00 0.00 H new ATOM 712 N LEU A 44 -6.323 4.712 0.763 1.00 0.00 N ATOM 713 CA LEU A 44 -7.667 5.234 0.946 1.00 0.00 C ATOM 714 C LEU A 44 -7.724 6.352 1.995 1.00 0.00 C ATOM 715 O LEU A 44 -8.780 6.957 2.145 1.00 0.00 O ATOM 716 CB LEU A 44 -8.633 4.106 1.343 1.00 0.00 C ATOM 717 CG LEU A 44 -8.647 2.866 0.431 1.00 0.00 C ATOM 718 CD1 LEU A 44 -9.796 1.965 0.892 1.00 0.00 C ATOM 719 CD2 LEU A 44 -8.801 3.187 -1.060 1.00 0.00 C ATOM 0 H LEU A 44 -6.197 3.753 1.087 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.971 5.661 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.385 3.784 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.642 4.516 1.378 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.678 2.375 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.834 1.074 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.635 1.672 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.738 2.507 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.802 2.260 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.740 3.715 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.971 3.814 -1.385 1.00 0.00 H new ATOM 731 N ARG A 45 -6.660 6.609 2.771 1.00 0.00 N ATOM 732 CA ARG A 45 -6.700 7.609 3.840 1.00 0.00 C ATOM 733 C ARG A 45 -6.888 9.026 3.296 1.00 0.00 C ATOM 734 O ARG A 45 -7.651 9.787 3.893 1.00 0.00 O ATOM 735 CB ARG A 45 -5.434 7.528 4.709 1.00 0.00 C ATOM 736 CG ARG A 45 -5.711 7.960 6.162 1.00 0.00 C ATOM 737 CD ARG A 45 -4.444 8.335 6.942 1.00 0.00 C ATOM 738 NE ARG A 45 -3.366 7.360 6.731 1.00 0.00 N ATOM 739 CZ ARG A 45 -2.089 7.633 6.447 1.00 0.00 C ATOM 740 NH1 ARG A 45 -1.589 8.851 6.613 1.00 0.00 N ATOM 741 NH2 ARG A 45 -1.320 6.663 5.973 1.00 0.00 N ATOM 0 H ARG A 45 -5.762 6.135 2.675 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.567 7.382 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.051 6.508 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.658 8.164 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.390 8.813 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.222 7.150 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.106 9.324 6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.676 8.396 8.005 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.618 6.375 6.809 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.183 9.602 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.611 9.036 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.706 5.729 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.342 6.850 5.750 1.00 0.00 H new ATOM 755 N THR A 46 -6.184 9.385 2.220 1.00 0.00 N ATOM 756 CA THR A 46 -6.121 10.752 1.688 1.00 0.00 C ATOM 757 C THR A 46 -6.064 10.763 0.156 1.00 0.00 C ATOM 758 O THR A 46 -5.741 11.792 -0.443 1.00 0.00 O ATOM 759 CB THR A 46 -4.887 11.474 2.261 1.00 0.00 C ATOM 760 OG1 THR A 46 -3.715 10.741 1.972 1.00 0.00 O ATOM 761 CG2 THR A 46 -4.937 11.671 3.772 1.00 0.00 C ATOM 0 H THR A 46 -5.629 8.720 1.681 1.00 0.00 H new ATOM 0 HA THR A 46 -7.030 11.272 1.991 1.00 0.00 H new ATOM 0 HB THR A 46 -4.882 12.456 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.937 11.210 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.035 12.186 4.102 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.811 12.268 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.001 10.700 4.264 1.00 0.00 H new ATOM 769 N ASP A 47 -6.273 9.610 -0.488 1.00 0.00 N ATOM 770 CA ASP A 47 -5.992 9.404 -1.908 1.00 0.00 C ATOM 771 C ASP A 47 -4.512 9.677 -2.234 1.00 0.00 C ATOM 772 O ASP A 47 -4.172 10.226 -3.285 1.00 0.00 O ATOM 773 CB ASP A 47 -6.969 10.221 -2.770 1.00 0.00 C ATOM 774 CG ASP A 47 -7.150 9.568 -4.132 1.00 0.00 C ATOM 775 OD1 ASP A 47 -7.743 8.464 -4.168 1.00 0.00 O ATOM 776 OD2 ASP A 47 -6.810 10.167 -5.183 1.00 0.00 O ATOM 0 H ASP A 47 -6.649 8.781 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.157 8.355 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.932 10.297 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.593 11.236 -2.894 1.00 0.00 H new ATOM 781 N GLU A 48 -3.612 9.391 -1.285 1.00 0.00 N ATOM 782 CA GLU A 48 -2.163 9.477 -1.486 1.00 0.00 C ATOM 783 C GLU A 48 -1.708 8.334 -2.378 1.00 0.00 C ATOM 784 O GLU A 48 -2.224 7.229 -2.251 1.00 0.00 O ATOM 785 CB GLU A 48 -1.400 9.599 -0.169 1.00 0.00 C ATOM 786 CG GLU A 48 -1.614 8.420 0.728 1.00 0.00 C ATOM 787 CD GLU A 48 -0.782 8.412 2.012 1.00 0.00 C ATOM 788 OE1 GLU A 48 0.330 8.979 2.062 1.00 0.00 O ATOM 789 OE2 GLU A 48 -1.294 7.926 3.045 1.00 0.00 O ATOM 0 H GLU A 48 -3.874 9.090 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.923 10.403 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.335 9.704 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.715 10.506 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.669 8.378 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.393 7.513 0.166 1.00 0.00 H new ATOM 796 N GLN A 49 -0.772 8.584 -3.288 1.00 0.00 N ATOM 797 CA GLN A 49 -0.368 7.622 -4.304 1.00 0.00 C ATOM 798 C GLN A 49 1.137 7.458 -4.223 1.00 0.00 C ATOM 799 O GLN A 49 1.838 8.395 -3.835 1.00 0.00 O ATOM 800 CB GLN A 49 -0.727 8.150 -5.702 1.00 0.00 C ATOM 801 CG GLN A 49 -2.221 8.413 -5.928 1.00 0.00 C ATOM 802 CD GLN A 49 -2.444 9.316 -7.133 1.00 0.00 C ATOM 803 OE1 GLN A 49 -1.870 10.393 -7.225 1.00 0.00 O ATOM 804 NE2 GLN A 49 -3.248 8.923 -8.105 1.00 0.00 N ATOM 0 H GLN A 49 -0.268 9.469 -3.340 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.878 6.673 -4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.179 9.076 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.383 7.431 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.741 7.467 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.650 8.875 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.730 8.027 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.386 9.516 -8.924 1.00 0.00 H new ATOM 813 N GLY A 50 1.626 6.288 -4.609 1.00 0.00 N ATOM 814 CA GLY A 50 3.022 5.938 -4.463 1.00 0.00 C ATOM 815 C GLY A 50 3.142 4.452 -4.190 1.00 0.00 C ATOM 816 O GLY A 50 2.277 3.662 -4.572 1.00 0.00 O ATOM 0 H GLY A 50 1.058 5.555 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.570 6.198 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.467 6.506 -3.646 1.00 0.00 H new ATOM 820 N LEU A 51 4.249 4.074 -3.558 1.00 0.00 N ATOM 821 CA LEU A 51 4.724 2.699 -3.484 1.00 0.00 C ATOM 822 C LEU A 51 4.549 2.147 -2.071 1.00 0.00 C ATOM 823 O LEU A 51 4.787 2.878 -1.100 1.00 0.00 O ATOM 824 CB LEU A 51 6.203 2.689 -3.905 1.00 0.00 C ATOM 825 CG LEU A 51 6.407 3.074 -5.383 1.00 0.00 C ATOM 826 CD1 LEU A 51 7.848 3.491 -5.646 1.00 0.00 C ATOM 827 CD2 LEU A 51 6.058 1.906 -6.303 1.00 0.00 C ATOM 0 H LEU A 51 4.855 4.734 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 51 4.146 2.060 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.760 3.381 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.618 1.696 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 51 5.744 3.914 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.964 3.757 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.097 4.351 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.516 2.664 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.210 2.202 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.699 1.056 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.015 1.625 -6.155 1.00 0.00 H new ATOM 839 N ILE A 52 4.174 0.866 -1.967 1.00 0.00 N ATOM 840 CA ILE A 52 4.116 0.087 -0.725 1.00 0.00 C ATOM 841 C ILE A 52 4.748 -1.295 -0.962 1.00 0.00 C ATOM 842 O ILE A 52 4.702 -1.816 -2.084 1.00 0.00 O ATOM 843 CB ILE A 52 2.671 -0.032 -0.179 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.764 -0.906 -1.070 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.018 1.350 0.029 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.563 -2.325 -0.527 1.00 0.00 C ATOM 0 H ILE A 52 3.891 0.321 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 52 4.686 0.612 0.041 1.00 0.00 H new ATOM 0 HB ILE A 52 2.766 -0.526 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.792 -0.423 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.196 -0.965 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.006 1.220 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.606 1.926 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.980 1.881 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.915 -2.885 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.528 -2.826 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.102 -2.275 0.460 1.00 0.00 H new ATOM 858 N VAL A 53 5.318 -1.872 0.096 1.00 0.00 N ATOM 859 CA VAL A 53 6.004 -3.158 0.102 1.00 0.00 C ATOM 860 C VAL A 53 4.996 -4.273 0.397 1.00 0.00 C ATOM 861 O VAL A 53 4.075 -4.086 1.197 1.00 0.00 O ATOM 862 CB VAL A 53 7.151 -3.088 1.141 1.00 0.00 C ATOM 863 CG1 VAL A 53 6.694 -3.151 2.611 1.00 0.00 C ATOM 864 CG2 VAL A 53 8.185 -4.192 0.913 1.00 0.00 C ATOM 0 H VAL A 53 5.312 -1.431 1.016 1.00 0.00 H new ATOM 0 HA VAL A 53 6.443 -3.384 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 53 7.591 -2.104 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.564 -3.095 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.028 -2.314 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.166 -4.088 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.974 -4.111 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.703 -5.166 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.616 -4.087 -0.083 1.00 0.00 H new ATOM 874 N GLU A 54 5.191 -5.461 -0.182 1.00 0.00 N ATOM 875 CA GLU A 54 4.265 -6.575 0.011 1.00 0.00 C ATOM 876 C GLU A 54 4.577 -7.440 1.240 1.00 0.00 C ATOM 877 O GLU A 54 3.972 -8.494 1.433 1.00 0.00 O ATOM 878 CB GLU A 54 4.054 -7.345 -1.295 1.00 0.00 C ATOM 879 CG GLU A 54 5.150 -8.272 -1.817 1.00 0.00 C ATOM 880 CD GLU A 54 4.722 -8.730 -3.217 1.00 0.00 C ATOM 881 OE1 GLU A 54 3.659 -9.372 -3.361 1.00 0.00 O ATOM 882 OE2 GLU A 54 5.347 -8.331 -4.223 1.00 0.00 O ATOM 0 H GLU A 54 5.983 -5.674 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 54 3.294 -6.152 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.151 -7.944 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.850 -6.612 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.107 -7.753 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.279 -9.128 -1.154 1.00 0.00 H new ATOM 889 N ASP A 55 5.481 -6.994 2.110 1.00 0.00 N ATOM 890 CA ASP A 55 5.874 -7.697 3.335 1.00 0.00 C ATOM 891 C ASP A 55 4.813 -7.661 4.435 1.00 0.00 C ATOM 892 O ASP A 55 4.813 -8.528 5.307 1.00 0.00 O ATOM 893 CB ASP A 55 7.157 -7.059 3.879 1.00 0.00 C ATOM 894 CG ASP A 55 7.657 -7.660 5.196 1.00 0.00 C ATOM 895 OD1 ASP A 55 7.979 -8.869 5.250 1.00 0.00 O ATOM 896 OD2 ASP A 55 7.892 -6.893 6.161 1.00 0.00 O ATOM 0 H ASP A 55 5.975 -6.111 1.981 1.00 0.00 H new ATOM 0 HA ASP A 55 6.016 -8.743 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.942 -7.156 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.984 -5.993 4.024 1.00 0.00 H new ATOM 901 N LEU A 56 3.927 -6.659 4.422 1.00 0.00 N ATOM 902 CA LEU A 56 3.197 -6.213 5.617 1.00 0.00 C ATOM 903 C LEU A 56 1.677 -6.203 5.437 1.00 0.00 C ATOM 904 O LEU A 56 0.976 -5.559 6.229 1.00 0.00 O ATOM 905 CB LEU A 56 3.716 -4.822 6.033 1.00 0.00 C ATOM 906 CG LEU A 56 5.184 -4.787 6.488 1.00 0.00 C ATOM 907 CD1 LEU A 56 5.575 -3.340 6.773 1.00 0.00 C ATOM 908 CD2 LEU A 56 5.408 -5.638 7.743 1.00 0.00 C ATOM 0 H LEU A 56 3.694 -6.132 3.580 1.00 0.00 H new ATOM 0 HA LEU A 56 3.388 -6.938 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.595 -4.139 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.091 -4.444 6.842 1.00 0.00 H new ATOM 0 HG LEU A 56 5.803 -5.202 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.615 -3.301 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.455 -2.745 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.935 -2.938 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.457 -5.588 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.788 -5.259 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.138 -6.673 7.534 1.00 0.00 H new ATOM 920 N VAL A 57 1.157 -6.879 4.413 1.00 0.00 N ATOM 921 CA VAL A 57 -0.236 -6.764 3.979 1.00 0.00 C ATOM 922 C VAL A 57 -1.000 -8.098 4.100 1.00 0.00 C ATOM 923 O VAL A 57 -0.394 -9.137 4.373 1.00 0.00 O ATOM 924 CB VAL A 57 -0.296 -6.138 2.567 1.00 0.00 C ATOM 925 CG1 VAL A 57 0.091 -4.650 2.592 1.00 0.00 C ATOM 926 CG2 VAL A 57 0.597 -6.855 1.543 1.00 0.00 C ATOM 0 H VAL A 57 1.701 -7.534 3.851 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.760 -6.088 4.655 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.334 -6.252 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.038 -4.243 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.597 -4.106 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.107 -4.545 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.506 -6.364 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.635 -6.815 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.284 -7.895 1.453 1.00 0.00 H new ATOM 936 N GLU A 58 -2.326 -8.097 3.922 1.00 0.00 N ATOM 937 CA GLU A 58 -3.099 -9.294 3.606 1.00 0.00 C ATOM 938 C GLU A 58 -3.868 -9.085 2.304 1.00 0.00 C ATOM 939 O GLU A 58 -4.276 -7.966 1.966 1.00 0.00 O ATOM 940 CB GLU A 58 -4.035 -9.772 4.741 1.00 0.00 C ATOM 941 CG GLU A 58 -5.273 -8.889 5.015 1.00 0.00 C ATOM 942 CD GLU A 58 -6.467 -9.584 5.690 1.00 0.00 C ATOM 943 OE1 GLU A 58 -6.470 -10.821 5.908 1.00 0.00 O ATOM 944 OE2 GLU A 58 -7.462 -8.889 6.012 1.00 0.00 O ATOM 0 H GLU A 58 -2.895 -7.253 3.995 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.377 -10.102 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.377 -10.779 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.453 -9.842 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.965 -8.052 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.611 -8.470 4.067 1.00 0.00 H new ATOM 951 N GLU A 59 -4.108 -10.205 1.628 1.00 0.00 N ATOM 952 CA GLU A 59 -4.681 -10.360 0.307 1.00 0.00 C ATOM 953 C GLU A 59 -6.207 -10.213 0.341 1.00 0.00 C ATOM 954 O GLU A 59 -6.969 -11.097 -0.051 1.00 0.00 O ATOM 955 CB GLU A 59 -4.190 -11.736 -0.202 1.00 0.00 C ATOM 956 CG GLU A 59 -3.360 -11.666 -1.486 1.00 0.00 C ATOM 957 CD GLU A 59 -4.031 -12.325 -2.691 1.00 0.00 C ATOM 958 OE1 GLU A 59 -5.279 -12.416 -2.750 1.00 0.00 O ATOM 959 OE2 GLU A 59 -3.326 -12.644 -3.670 1.00 0.00 O ATOM 0 H GLU A 59 -3.882 -11.111 2.037 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.360 -9.579 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.594 -12.209 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.054 -12.377 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.158 -10.621 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.397 -12.145 -1.311 1.00 0.00 H new ATOM 966 N VAL A 60 -6.689 -9.072 0.828 1.00 0.00 N ATOM 967 CA VAL A 60 -8.117 -8.834 0.986 1.00 0.00 C ATOM 968 C VAL A 60 -8.850 -8.847 -0.365 1.00 0.00 C ATOM 969 O VAL A 60 -8.271 -8.609 -1.430 1.00 0.00 O ATOM 970 CB VAL A 60 -8.313 -7.544 1.799 1.00 0.00 C ATOM 971 CG1 VAL A 60 -8.085 -6.259 0.993 1.00 0.00 C ATOM 972 CG2 VAL A 60 -9.688 -7.477 2.470 1.00 0.00 C ATOM 0 H VAL A 60 -6.102 -8.291 1.122 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.576 -9.649 1.546 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.540 -7.597 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.242 -5.393 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.065 -6.246 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.786 -6.223 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.774 -6.546 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.467 -7.515 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.803 -8.322 3.149 1.00 0.00 H new