USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 24 MET CE :methyl 171:sc= -0.227 (180deg=-0.671) USER MOD Single : A 28 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1!) USER MOD Single : A 38 ASN : amide:sc= -0.0887 K(o=-0.089,f=-1.7!) USER MOD Single : A 40 GLN : amide:sc= -1.06 K(o=-1.1,f=0.77) USER MOD Single : A 52 THR OG1 : rot 67:sc= -0.113 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.3!) USER MOD Single : A 80 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.4!) USER MOD Single : A 83 MET CE :methyl -163:sc= -0.949 (180deg=-1.39!) USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= 0.25 (180deg=0.0402) USER MOD Single : A 93 SER OG : rot -28:sc= 0.191 USER MOD Single : A 94 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-3.1) USER MOD Single : A 102 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-7.5!) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0.14 (180deg=0.14) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.277 -10.270 0.362 1.00 0.00 N ATOM 81 CA LYS A 6 185.544 -8.907 -0.083 1.00 0.00 C ATOM 82 C LYS A 6 184.443 -7.961 0.386 1.00 0.00 C ATOM 83 O LYS A 6 183.353 -8.398 0.753 1.00 0.00 O ATOM 84 CB LYS A 6 185.662 -8.859 -1.608 1.00 0.00 C ATOM 85 CG LYS A 6 186.786 -7.963 -2.103 1.00 0.00 C ATOM 86 CD LYS A 6 188.059 -8.754 -2.356 1.00 0.00 C ATOM 87 CE LYS A 6 189.211 -7.844 -2.751 1.00 0.00 C ATOM 88 NZ LYS A 6 190.531 -8.433 -2.397 1.00 0.00 N ATOM 0 HA LYS A 6 186.488 -8.584 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.822 -9.870 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.718 -8.509 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 6 186.477 -7.465 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 6 186.981 -7.183 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 6 188.326 -9.312 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 6 187.884 -9.485 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 6 189.174 -7.656 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 6 189.099 -6.880 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 191.290 -7.782 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 190.577 -8.589 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 190.650 -9.341 -2.891 1.00 0.00 H new ATOM 102 N LYS A 7 184.735 -6.665 0.375 1.00 0.00 N ATOM 103 CA LYS A 7 183.767 -5.663 0.804 1.00 0.00 C ATOM 104 C LYS A 7 182.912 -5.188 -0.368 1.00 0.00 C ATOM 105 O LYS A 7 183.094 -5.632 -1.502 1.00 0.00 O ATOM 106 CB LYS A 7 184.483 -4.472 1.444 1.00 0.00 C ATOM 107 CG LYS A 7 184.926 -4.726 2.877 1.00 0.00 C ATOM 108 CD LYS A 7 184.767 -3.483 3.741 1.00 0.00 C ATOM 109 CE LYS A 7 186.104 -3.005 4.285 1.00 0.00 C ATOM 110 NZ LYS A 7 185.997 -2.543 5.696 1.00 0.00 N ATOM 0 H LYS A 7 185.632 -6.285 0.074 1.00 0.00 H new ATOM 0 HA LYS A 7 183.111 -6.124 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.356 -4.217 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.820 -3.607 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.340 -5.542 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.968 -5.045 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 7 184.307 -2.688 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 7 184.093 -3.699 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 7 186.831 -3.814 4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 7 186.478 -2.191 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 186.930 -2.226 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 185.322 -1.754 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 185.664 -3.327 6.294 1.00 0.00 H new ATOM 124 N LEU A 8 181.977 -4.286 -0.084 1.00 0.00 N ATOM 125 CA LEU A 8 181.089 -3.752 -1.111 1.00 0.00 C ATOM 126 C LEU A 8 181.477 -2.324 -1.483 1.00 0.00 C ATOM 127 O LEU A 8 181.893 -1.540 -0.630 1.00 0.00 O ATOM 128 CB LEU A 8 179.638 -3.789 -0.623 1.00 0.00 C ATOM 129 CG LEU A 8 178.696 -4.654 -1.460 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.330 -4.749 -0.799 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.571 -4.093 -2.869 1.00 0.00 C ATOM 0 H LEU A 8 181.815 -3.909 0.850 1.00 0.00 H new ATOM 0 HA LEU A 8 181.186 -4.375 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.625 -4.154 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.251 -2.770 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 8 179.115 -5.658 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 8 176.673 -5.369 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.435 -5.195 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.902 -3.751 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.897 -4.720 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.174 -3.079 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.553 -4.077 -3.343 1.00 0.00 H new ATOM 143 N ASP A 9 181.332 -1.992 -2.762 1.00 0.00 N ATOM 144 CA ASP A 9 181.661 -0.658 -3.248 1.00 0.00 C ATOM 145 C ASP A 9 180.477 0.289 -3.071 1.00 0.00 C ATOM 146 O ASP A 9 179.332 -0.150 -2.970 1.00 0.00 O ATOM 147 CB ASP A 9 182.070 -0.714 -4.722 1.00 0.00 C ATOM 148 CG ASP A 9 183.573 -0.796 -4.902 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.265 0.191 -4.574 1.00 0.00 O ATOM 150 OD2 ASP A 9 184.059 -1.847 -5.371 1.00 0.00 O ATOM 0 H ASP A 9 180.989 -2.629 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 9 182.499 -0.280 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.603 -1.579 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.693 0.171 -5.235 1.00 0.00 H new ATOM 155 N PRO A 10 180.736 1.608 -3.032 1.00 0.00 N ATOM 156 CA PRO A 10 179.684 2.616 -2.865 1.00 0.00 C ATOM 157 C PRO A 10 178.622 2.529 -3.957 1.00 0.00 C ATOM 158 O PRO A 10 177.459 2.229 -3.683 1.00 0.00 O ATOM 159 CB PRO A 10 180.435 3.953 -2.953 1.00 0.00 C ATOM 160 CG PRO A 10 181.756 3.626 -3.564 1.00 0.00 C ATOM 161 CD PRO A 10 182.069 2.219 -3.146 1.00 0.00 C ATOM 0 HA PRO A 10 179.145 2.483 -1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.887 4.672 -3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 10 180.558 4.400 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.715 3.710 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 10 182.527 4.316 -3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.687 1.706 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.610 2.189 -2.200 1.00 0.00 H new ATOM 169 N ASP A 11 179.028 2.791 -5.195 1.00 0.00 N ATOM 170 CA ASP A 11 178.111 2.741 -6.328 1.00 0.00 C ATOM 171 C ASP A 11 177.462 1.365 -6.442 1.00 0.00 C ATOM 172 O ASP A 11 176.312 1.242 -6.864 1.00 0.00 O ATOM 173 CB ASP A 11 178.850 3.078 -7.624 1.00 0.00 C ATOM 174 CG ASP A 11 177.971 3.813 -8.616 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.302 3.141 -9.429 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.951 5.062 -8.581 1.00 0.00 O ATOM 0 H ASP A 11 179.986 3.040 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 11 177.327 3.480 -6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.722 3.689 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 11 179.217 2.158 -8.080 1.00 0.00 H new ATOM 181 N THR A 12 178.209 0.333 -6.063 1.00 0.00 N ATOM 182 CA THR A 12 177.708 -1.035 -6.123 1.00 0.00 C ATOM 183 C THR A 12 176.672 -1.285 -5.033 1.00 0.00 C ATOM 184 O THR A 12 175.695 -2.000 -5.250 1.00 0.00 O ATOM 185 CB THR A 12 178.860 -2.032 -5.983 1.00 0.00 C ATOM 186 OG1 THR A 12 179.764 -1.908 -7.067 1.00 0.00 O ATOM 187 CG2 THR A 12 178.404 -3.476 -5.929 1.00 0.00 C ATOM 0 H THR A 12 179.163 0.418 -5.711 1.00 0.00 H new ATOM 0 HA THR A 12 177.231 -1.175 -7.093 1.00 0.00 H new ATOM 0 HB THR A 12 179.340 -1.785 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.495 -2.552 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.272 -4.128 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.744 -3.617 -5.073 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.868 -3.723 -6.845 1.00 0.00 H new ATOM 195 N ALA A 13 176.887 -0.687 -3.865 1.00 0.00 N ATOM 196 CA ALA A 13 175.966 -0.844 -2.745 1.00 0.00 C ATOM 197 C ALA A 13 174.607 -0.232 -3.062 1.00 0.00 C ATOM 198 O ALA A 13 173.584 -0.651 -2.519 1.00 0.00 O ATOM 199 CB ALA A 13 176.551 -0.214 -1.490 1.00 0.00 C ATOM 0 H ALA A 13 177.690 -0.090 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 13 175.823 -1.910 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.854 -0.338 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.495 -0.700 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.724 0.848 -1.663 1.00 0.00 H new ATOM 205 N ILE A 14 174.602 0.761 -3.944 1.00 0.00 N ATOM 206 CA ILE A 14 173.367 1.428 -4.334 1.00 0.00 C ATOM 207 C ILE A 14 172.606 0.610 -5.374 1.00 0.00 C ATOM 208 O ILE A 14 171.479 0.179 -5.134 1.00 0.00 O ATOM 209 CB ILE A 14 173.642 2.837 -4.894 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.484 3.644 -3.905 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.334 3.557 -5.194 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.813 5.041 -4.386 1.00 0.00 C ATOM 0 H ILE A 14 175.439 1.121 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 14 172.757 1.520 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 14 174.199 2.738 -5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.950 3.712 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.413 3.108 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.548 4.550 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.766 2.988 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.751 3.648 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.412 5.553 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.375 4.982 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 14 173.889 5.595 -4.554 1.00 0.00 H new ATOM 224 N ASP A 15 173.226 0.407 -6.533 1.00 0.00 N ATOM 225 CA ASP A 15 172.607 -0.352 -7.619 1.00 0.00 C ATOM 226 C ASP A 15 171.993 -1.661 -7.119 1.00 0.00 C ATOM 227 O ASP A 15 170.973 -2.117 -7.641 1.00 0.00 O ATOM 228 CB ASP A 15 173.637 -0.645 -8.711 1.00 0.00 C ATOM 229 CG ASP A 15 173.612 0.386 -9.822 1.00 0.00 C ATOM 230 OD1 ASP A 15 174.141 1.498 -9.612 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.063 0.082 -10.902 1.00 0.00 O ATOM 0 H ASP A 15 174.160 0.758 -6.746 1.00 0.00 H new ATOM 0 HA ASP A 15 171.803 0.259 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.633 -0.674 -8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.446 -1.632 -9.131 1.00 0.00 H new ATOM 236 N ILE A 16 172.605 -2.252 -6.097 1.00 0.00 N ATOM 237 CA ILE A 16 172.094 -3.499 -5.535 1.00 0.00 C ATOM 238 C ILE A 16 170.878 -3.236 -4.655 1.00 0.00 C ATOM 239 O ILE A 16 169.851 -3.898 -4.793 1.00 0.00 O ATOM 240 CB ILE A 16 173.162 -4.266 -4.726 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.889 -3.336 -3.752 1.00 0.00 C ATOM 242 CG2 ILE A 16 174.154 -4.935 -5.667 1.00 0.00 C ATOM 243 CD1 ILE A 16 173.555 -3.602 -2.304 1.00 0.00 C ATOM 0 H ILE A 16 173.446 -1.893 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 16 171.806 -4.124 -6.380 1.00 0.00 H new ATOM 0 HB ILE A 16 172.659 -5.036 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.964 -3.443 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.637 -2.303 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 16 174.902 -5.473 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 16 173.626 -5.635 -6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 16 174.645 -4.177 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 16 174.105 -2.907 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 16 172.485 -3.467 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.833 -4.624 -2.048 1.00 0.00 H new ATOM 255 N ALA A 17 170.991 -2.256 -3.764 1.00 0.00 N ATOM 256 CA ALA A 17 169.885 -1.904 -2.884 1.00 0.00 C ATOM 257 C ALA A 17 168.724 -1.347 -3.696 1.00 0.00 C ATOM 258 O ALA A 17 167.558 -1.591 -3.385 1.00 0.00 O ATOM 259 CB ALA A 17 170.334 -0.894 -1.840 1.00 0.00 C ATOM 0 H ALA A 17 171.833 -1.695 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 17 169.551 -2.805 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.494 -0.643 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 17 171.139 -1.322 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.691 0.008 -2.337 1.00 0.00 H new ATOM 265 N TYR A 18 169.057 -0.608 -4.750 1.00 0.00 N ATOM 266 CA TYR A 18 168.052 -0.024 -5.627 1.00 0.00 C ATOM 267 C TYR A 18 167.178 -1.122 -6.219 1.00 0.00 C ATOM 268 O TYR A 18 165.952 -1.004 -6.261 1.00 0.00 O ATOM 269 CB TYR A 18 168.726 0.778 -6.742 1.00 0.00 C ATOM 270 CG TYR A 18 167.794 1.725 -7.465 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.706 1.246 -8.185 1.00 0.00 C ATOM 272 CD2 TYR A 18 168.005 3.097 -7.430 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.855 2.110 -8.849 1.00 0.00 C ATOM 274 CE2 TYR A 18 167.159 3.967 -8.092 1.00 0.00 C ATOM 275 CZ TYR A 18 166.086 3.468 -8.800 1.00 0.00 C ATOM 276 OH TYR A 18 165.242 4.331 -9.460 1.00 0.00 O ATOM 0 H TYR A 18 170.019 -0.400 -5.017 1.00 0.00 H new ATOM 0 HA TYR A 18 167.423 0.651 -5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.551 1.350 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 18 169.157 0.085 -7.465 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.522 0.183 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.844 3.491 -6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.013 1.723 -9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 18 167.337 5.032 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 18 165.545 5.253 -9.323 1.00 0.00 H new ATOM 286 N ASP A 19 167.819 -2.203 -6.656 1.00 0.00 N ATOM 287 CA ASP A 19 167.097 -3.334 -7.222 1.00 0.00 C ATOM 288 C ASP A 19 166.241 -4.001 -6.149 1.00 0.00 C ATOM 289 O ASP A 19 165.193 -4.579 -6.443 1.00 0.00 O ATOM 290 CB ASP A 19 168.075 -4.348 -7.818 1.00 0.00 C ATOM 291 CG ASP A 19 168.274 -4.151 -9.308 1.00 0.00 C ATOM 292 OD1 ASP A 19 169.022 -3.227 -9.691 1.00 0.00 O ATOM 293 OD2 ASP A 19 167.680 -4.921 -10.093 1.00 0.00 O ATOM 0 H ASP A 19 168.832 -2.318 -6.628 1.00 0.00 H new ATOM 0 HA ASP A 19 166.447 -2.968 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 19 169.036 -4.263 -7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.706 -5.357 -7.634 1.00 0.00 H new ATOM 298 N ILE A 20 166.681 -3.888 -4.898 1.00 0.00 N ATOM 299 CA ILE A 20 165.947 -4.458 -3.777 1.00 0.00 C ATOM 300 C ILE A 20 164.712 -3.621 -3.476 1.00 0.00 C ATOM 301 O ILE A 20 163.706 -4.135 -2.986 1.00 0.00 O ATOM 302 CB ILE A 20 166.818 -4.550 -2.508 1.00 0.00 C ATOM 303 CG1 ILE A 20 168.055 -5.409 -2.770 1.00 0.00 C ATOM 304 CG2 ILE A 20 166.015 -5.121 -1.348 1.00 0.00 C ATOM 305 CD1 ILE A 20 169.171 -5.171 -1.776 1.00 0.00 C ATOM 0 H ILE A 20 167.542 -3.407 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 20 165.652 -5.467 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 20 167.143 -3.544 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.771 -6.461 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 20 168.424 -5.205 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.647 -5.178 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 20 165.161 -4.475 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.662 -6.119 -1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 20 170.018 -5.812 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.481 -4.127 -1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.818 -5.402 -0.771 1.00 0.00 H new ATOM 317 N PHE A 21 164.786 -2.331 -3.790 1.00 0.00 N ATOM 318 CA PHE A 21 163.665 -1.433 -3.568 1.00 0.00 C ATOM 319 C PHE A 21 162.534 -1.777 -4.525 1.00 0.00 C ATOM 320 O PHE A 21 161.378 -1.875 -4.127 1.00 0.00 O ATOM 321 CB PHE A 21 164.103 0.020 -3.765 1.00 0.00 C ATOM 322 CG PHE A 21 163.090 1.032 -3.303 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.338 0.815 -2.159 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.894 2.204 -4.016 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.411 1.748 -1.735 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.968 3.140 -3.596 1.00 0.00 C ATOM 327 CZ PHE A 21 161.226 2.912 -2.454 1.00 0.00 C ATOM 0 H PHE A 21 165.609 -1.888 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 21 163.312 -1.552 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 21 165.037 0.184 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.311 0.186 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.478 -0.094 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.471 2.388 -4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.832 1.567 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.825 4.049 -4.161 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.502 3.643 -2.124 1.00 0.00 H new ATOM 337 N LEU A 22 162.879 -1.975 -5.791 1.00 0.00 N ATOM 338 CA LEU A 22 161.888 -2.326 -6.801 1.00 0.00 C ATOM 339 C LEU A 22 161.545 -3.816 -6.739 1.00 0.00 C ATOM 340 O LEU A 22 160.692 -4.294 -7.487 1.00 0.00 O ATOM 341 CB LEU A 22 162.402 -1.967 -8.197 1.00 0.00 C ATOM 342 CG LEU A 22 162.423 -0.473 -8.516 1.00 0.00 C ATOM 343 CD1 LEU A 22 161.008 0.060 -8.607 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.218 0.288 -7.465 1.00 0.00 C ATOM 0 H LEU A 22 163.834 -1.899 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 22 160.982 -1.756 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.413 -2.360 -8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.781 -2.472 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 22 162.911 -0.328 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.035 1.126 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 160.471 -0.466 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 22 160.499 -0.095 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.221 1.350 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU A 22 162.760 0.143 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 22 164.243 -0.083 -7.445 1.00 0.00 H new ATOM 356 N GLU A 23 162.221 -4.548 -5.853 1.00 0.00 N ATOM 357 CA GLU A 23 161.991 -5.982 -5.710 1.00 0.00 C ATOM 358 C GLU A 23 161.008 -6.301 -4.584 1.00 0.00 C ATOM 359 O GLU A 23 160.006 -6.984 -4.798 1.00 0.00 O ATOM 360 CB GLU A 23 163.314 -6.700 -5.432 1.00 0.00 C ATOM 361 CG GLU A 23 163.786 -7.587 -6.570 1.00 0.00 C ATOM 362 CD GLU A 23 162.703 -8.523 -7.074 1.00 0.00 C ATOM 363 OE1 GLU A 23 161.953 -8.123 -7.989 1.00 0.00 O ATOM 364 OE2 GLU A 23 162.606 -9.654 -6.554 1.00 0.00 O ATOM 0 H GLU A 23 162.931 -4.170 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 23 161.558 -6.330 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 23 164.082 -5.956 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 23 163.204 -7.307 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 23 164.131 -6.961 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 164.641 -8.175 -6.236 1.00 0.00 H new ATOM 371 N MET A 24 161.326 -5.845 -3.377 1.00 0.00 N ATOM 372 CA MET A 24 160.497 -6.128 -2.208 1.00 0.00 C ATOM 373 C MET A 24 159.446 -5.051 -1.940 1.00 0.00 C ATOM 374 O MET A 24 158.376 -5.351 -1.410 1.00 0.00 O ATOM 375 CB MET A 24 161.384 -6.305 -0.977 1.00 0.00 C ATOM 376 CG MET A 24 162.612 -7.166 -1.234 1.00 0.00 C ATOM 377 SD MET A 24 163.847 -7.017 0.071 1.00 0.00 S ATOM 378 CE MET A 24 162.810 -7.076 1.531 1.00 0.00 C ATOM 0 H MET A 24 162.151 -5.278 -3.181 1.00 0.00 H new ATOM 0 HA MET A 24 159.955 -7.049 -2.421 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.704 -5.324 -0.626 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.796 -6.754 -0.177 1.00 0.00 H new ATOM 0 HG2 MET A 24 162.308 -8.209 -1.324 1.00 0.00 H new ATOM 0 HG3 MET A 24 163.059 -6.881 -2.186 1.00 0.00 H new ATOM 0 HE1 MET A 24 163.437 -7.156 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 24 162.212 -6.167 1.589 1.00 0.00 H new ATOM 0 HE3 MET A 24 162.150 -7.941 1.474 1.00 0.00 H new ATOM 388 N ALA A 25 159.738 -3.801 -2.290 1.00 0.00 N ATOM 389 CA ALA A 25 158.783 -2.718 -2.056 1.00 0.00 C ATOM 390 C ALA A 25 157.430 -3.036 -2.686 1.00 0.00 C ATOM 391 O ALA A 25 157.337 -3.285 -3.888 1.00 0.00 O ATOM 392 CB ALA A 25 159.316 -1.399 -2.591 1.00 0.00 C ATOM 0 H ALA A 25 160.613 -3.514 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 25 158.647 -2.624 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.588 -0.610 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 25 160.252 -1.154 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.491 -1.485 -3.663 1.00 0.00 H new ATOM 398 N GLY A 26 156.386 -3.033 -1.865 1.00 0.00 N ATOM 399 CA GLY A 26 155.052 -3.329 -2.355 1.00 0.00 C ATOM 400 C GLY A 26 154.478 -4.583 -1.726 1.00 0.00 C ATOM 401 O GLY A 26 153.769 -5.347 -2.381 1.00 0.00 O ATOM 0 H GLY A 26 156.440 -2.830 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.394 -2.485 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 26 155.082 -3.449 -3.438 1.00 0.00 H new ATOM 405 N GLU A 27 154.791 -4.793 -0.452 1.00 0.00 N ATOM 406 CA GLU A 27 154.310 -5.965 0.276 1.00 0.00 C ATOM 407 C GLU A 27 154.444 -5.778 1.789 1.00 0.00 C ATOM 408 O GLU A 27 153.633 -6.293 2.558 1.00 0.00 O ATOM 409 CB GLU A 27 155.084 -7.211 -0.160 1.00 0.00 C ATOM 410 CG GLU A 27 154.627 -7.776 -1.494 1.00 0.00 C ATOM 411 CD GLU A 27 155.048 -9.220 -1.690 1.00 0.00 C ATOM 412 OE1 GLU A 27 156.150 -9.449 -2.231 1.00 0.00 O ATOM 413 OE2 GLU A 27 154.274 -10.121 -1.304 1.00 0.00 O ATOM 0 H GLU A 27 155.377 -4.166 0.100 1.00 0.00 H new ATOM 0 HA GLU A 27 153.253 -6.091 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 27 156.144 -6.966 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 154.979 -7.980 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 27 153.541 -7.705 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 27 155.037 -7.169 -2.301 1.00 0.00 H new ATOM 420 N ASN A 28 155.468 -5.038 2.209 1.00 0.00 N ATOM 421 CA ASN A 28 155.699 -4.787 3.628 1.00 0.00 C ATOM 422 C ASN A 28 155.564 -3.301 3.948 1.00 0.00 C ATOM 423 O ASN A 28 155.101 -2.927 5.026 1.00 0.00 O ATOM 424 CB ASN A 28 157.091 -5.278 4.031 1.00 0.00 C ATOM 425 CG ASN A 28 157.076 -6.046 5.338 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.126 -6.770 5.635 1.00 0.00 O ATOM 427 ND2 ASN A 28 158.133 -5.891 6.128 1.00 0.00 N ATOM 0 H ASN A 28 156.149 -4.603 1.587 1.00 0.00 H new ATOM 0 HA ASN A 28 154.946 -5.333 4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.491 -5.916 3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.762 -4.424 4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 28 158.179 -6.383 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 28 158.898 -5.281 5.842 1.00 0.00 H new ATOM 434 N LEU A 29 155.979 -2.460 3.007 1.00 0.00 N ATOM 435 CA LEU A 29 155.916 -1.014 3.186 1.00 0.00 C ATOM 436 C LEU A 29 154.507 -0.489 2.920 1.00 0.00 C ATOM 437 O LEU A 29 153.928 -0.725 1.860 1.00 0.00 O ATOM 438 CB LEU A 29 156.938 -0.340 2.269 1.00 0.00 C ATOM 439 CG LEU A 29 156.801 1.174 2.098 1.00 0.00 C ATOM 440 CD1 LEU A 29 158.123 1.785 1.664 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.716 1.492 1.085 1.00 0.00 C ATOM 0 H LEU A 29 156.364 -2.756 2.110 1.00 0.00 H new ATOM 0 HA LEU A 29 156.160 -0.775 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.935 -0.552 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.872 -0.803 1.284 1.00 0.00 H new ATOM 0 HG LEU A 29 156.521 1.606 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.005 2.862 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.883 1.582 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.431 1.349 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.629 2.573 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.974 1.047 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.765 1.085 1.430 1.00 0.00 H new ATOM 453 N ASP A 30 153.966 0.208 3.916 1.00 0.00 N ATOM 454 CA ASP A 30 152.612 0.778 3.859 1.00 0.00 C ATOM 455 C ASP A 30 152.228 1.241 2.450 1.00 0.00 C ATOM 456 O ASP A 30 153.079 1.637 1.664 1.00 0.00 O ATOM 457 CB ASP A 30 152.502 1.950 4.838 1.00 0.00 C ATOM 458 CG ASP A 30 151.434 1.725 5.892 1.00 0.00 C ATOM 459 OD1 ASP A 30 151.269 0.567 6.331 1.00 0.00 O ATOM 460 OD2 ASP A 30 150.764 2.705 6.277 1.00 0.00 O ATOM 0 H ASP A 30 154.453 0.397 4.792 1.00 0.00 H new ATOM 0 HA ASP A 30 151.916 -0.013 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.464 2.103 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.277 2.862 4.285 1.00 0.00 H new ATOM 465 N PRO A 31 150.928 1.194 2.115 1.00 0.00 N ATOM 466 CA PRO A 31 150.437 1.610 0.795 1.00 0.00 C ATOM 467 C PRO A 31 150.691 3.088 0.512 1.00 0.00 C ATOM 468 O PRO A 31 150.941 3.476 -0.629 1.00 0.00 O ATOM 469 CB PRO A 31 148.932 1.328 0.859 1.00 0.00 C ATOM 470 CG PRO A 31 148.607 1.265 2.311 1.00 0.00 C ATOM 471 CD PRO A 31 149.836 0.734 2.989 1.00 0.00 C ATOM 0 HA PRO A 31 150.948 1.078 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.363 2.114 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.685 0.391 0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.345 2.251 2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.751 0.615 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.938 1.125 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.814 -0.353 3.068 1.00 0.00 H new ATOM 479 N ALA A 32 150.616 3.912 1.552 1.00 0.00 N ATOM 480 CA ALA A 32 150.828 5.350 1.410 1.00 0.00 C ATOM 481 C ALA A 32 152.149 5.664 0.710 1.00 0.00 C ATOM 482 O ALA A 32 152.171 6.327 -0.330 1.00 0.00 O ATOM 483 CB ALA A 32 150.784 6.023 2.774 1.00 0.00 C ATOM 0 H ALA A 32 150.410 3.609 2.504 1.00 0.00 H new ATOM 0 HA ALA A 32 150.024 5.742 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.943 7.095 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.811 5.849 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.566 5.608 3.410 1.00 0.00 H new ATOM 489 N ASP A 33 153.250 5.189 1.286 1.00 0.00 N ATOM 490 CA ASP A 33 154.572 5.427 0.715 1.00 0.00 C ATOM 491 C ASP A 33 154.688 4.825 -0.684 1.00 0.00 C ATOM 492 O ASP A 33 155.556 5.217 -1.464 1.00 0.00 O ATOM 493 CB ASP A 33 155.659 4.857 1.629 1.00 0.00 C ATOM 494 CG ASP A 33 155.771 5.610 2.941 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.999 6.572 3.142 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.629 5.237 3.767 1.00 0.00 O ATOM 0 H ASP A 33 153.253 4.639 2.145 1.00 0.00 H new ATOM 0 HA ASP A 33 154.711 6.505 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 33 155.444 3.808 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.618 4.891 1.112 1.00 0.00 H new ATOM 501 N ILE A 34 153.805 3.881 -1.004 1.00 0.00 N ATOM 502 CA ILE A 34 153.815 3.248 -2.317 1.00 0.00 C ATOM 503 C ILE A 34 153.239 4.192 -3.366 1.00 0.00 C ATOM 504 O ILE A 34 153.857 4.440 -4.402 1.00 0.00 O ATOM 505 CB ILE A 34 153.008 1.931 -2.323 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.599 0.941 -1.320 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.983 1.324 -3.719 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.714 -0.259 -1.063 1.00 0.00 C ATOM 0 H ILE A 34 153.078 3.540 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 34 154.853 3.018 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 34 151.983 2.154 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.566 0.597 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.781 1.457 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.410 0.397 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.519 2.025 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 34 154.002 1.114 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 34 153.196 -0.919 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.755 0.074 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.552 -0.798 -1.996 1.00 0.00 H new ATOM 520 N LEU A 35 152.052 4.721 -3.085 1.00 0.00 N ATOM 521 CA LEU A 35 151.390 5.644 -3.999 1.00 0.00 C ATOM 522 C LEU A 35 152.306 6.813 -4.343 1.00 0.00 C ATOM 523 O LEU A 35 152.527 7.115 -5.514 1.00 0.00 O ATOM 524 CB LEU A 35 150.090 6.165 -3.385 1.00 0.00 C ATOM 525 CG LEU A 35 149.340 7.191 -4.242 1.00 0.00 C ATOM 526 CD1 LEU A 35 147.889 6.777 -4.427 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.427 8.576 -3.618 1.00 0.00 C ATOM 0 H LEU A 35 151.529 4.526 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 35 151.156 5.102 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.430 5.319 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.316 6.616 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 35 149.813 7.227 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.374 7.518 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 35 147.848 5.807 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.403 6.709 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.889 9.290 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.983 8.555 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.472 8.876 -3.542 1.00 0.00 H new ATOM 539 N LEU A 36 152.848 7.461 -3.317 1.00 0.00 N ATOM 540 CA LEU A 36 153.751 8.588 -3.524 1.00 0.00 C ATOM 541 C LEU A 36 154.987 8.139 -4.296 1.00 0.00 C ATOM 542 O LEU A 36 155.348 8.728 -5.316 1.00 0.00 O ATOM 543 CB LEU A 36 154.159 9.197 -2.179 1.00 0.00 C ATOM 544 CG LEU A 36 153.814 10.677 -2.007 1.00 0.00 C ATOM 545 CD1 LEU A 36 152.417 10.836 -1.429 1.00 0.00 C ATOM 546 CD2 LEU A 36 154.842 11.363 -1.118 1.00 0.00 C ATOM 0 H LEU A 36 152.679 7.227 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 36 153.231 9.348 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.677 8.632 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.235 9.073 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 36 153.835 11.152 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 36 152.189 11.896 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 36 151.691 10.380 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 36 152.368 10.347 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 36 154.582 12.415 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.852 10.885 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 36 155.829 11.280 -1.572 1.00 0.00 H new ATOM 558 N PHE A 37 155.623 7.083 -3.800 1.00 0.00 N ATOM 559 CA PHE A 37 156.817 6.527 -4.433 1.00 0.00 C ATOM 560 C PHE A 37 156.617 6.381 -5.943 1.00 0.00 C ATOM 561 O PHE A 37 157.572 6.448 -6.715 1.00 0.00 O ATOM 562 CB PHE A 37 157.155 5.169 -3.805 1.00 0.00 C ATOM 563 CG PHE A 37 158.113 4.336 -4.613 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.234 4.909 -5.192 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.888 2.981 -4.794 1.00 0.00 C ATOM 566 CE1 PHE A 37 160.113 4.145 -5.936 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.764 2.212 -5.537 1.00 0.00 C ATOM 568 CZ PHE A 37 159.878 2.795 -6.108 1.00 0.00 C ATOM 0 H PHE A 37 155.330 6.591 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 37 157.648 7.213 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.581 5.335 -2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.232 4.607 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.423 5.964 -5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.018 2.520 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.983 4.603 -6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.577 1.157 -5.671 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.564 2.196 -6.688 1.00 0.00 H new ATOM 578 N ASN A 38 155.369 6.182 -6.357 1.00 0.00 N ATOM 579 CA ASN A 38 155.049 6.028 -7.772 1.00 0.00 C ATOM 580 C ASN A 38 155.055 7.377 -8.487 1.00 0.00 C ATOM 581 O ASN A 38 155.682 7.530 -9.535 1.00 0.00 O ATOM 582 CB ASN A 38 153.686 5.354 -7.938 1.00 0.00 C ATOM 583 CG ASN A 38 153.775 3.843 -7.851 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.854 3.282 -7.662 1.00 0.00 O ATOM 585 ND2 ASN A 38 152.635 3.174 -7.989 1.00 0.00 N ATOM 0 H ASN A 38 154.564 6.124 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 38 155.816 5.398 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.006 5.720 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.259 5.635 -8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.632 2.155 -7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 38 151.763 3.679 -8.144 1.00 0.00 H new ATOM 592 N LEU A 39 154.352 8.352 -7.917 1.00 0.00 N ATOM 593 CA LEU A 39 154.279 9.686 -8.508 1.00 0.00 C ATOM 594 C LEU A 39 155.171 10.668 -7.754 1.00 0.00 C ATOM 595 O LEU A 39 154.767 11.796 -7.471 1.00 0.00 O ATOM 596 CB LEU A 39 152.833 10.196 -8.510 1.00 0.00 C ATOM 597 CG LEU A 39 151.769 9.168 -8.904 1.00 0.00 C ATOM 598 CD1 LEU A 39 152.198 8.389 -10.140 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.489 8.225 -7.745 1.00 0.00 C ATOM 0 H LEU A 39 153.826 8.245 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 39 154.633 9.614 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.598 10.572 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.766 11.042 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 39 150.850 9.702 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 151.426 7.665 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.344 9.078 -10.972 1.00 0.00 H new ATOM 0 HD13 LEU A 39 153.132 7.865 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.731 7.500 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.405 7.701 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.130 8.797 -6.889 1.00 0.00 H new ATOM 611 N GLN A 40 156.385 10.235 -7.430 1.00 0.00 N ATOM 612 CA GLN A 40 157.329 11.082 -6.708 1.00 0.00 C ATOM 613 C GLN A 40 158.770 10.728 -7.065 1.00 0.00 C ATOM 614 O GLN A 40 159.596 11.610 -7.297 1.00 0.00 O ATOM 615 CB GLN A 40 157.130 10.936 -5.200 1.00 0.00 C ATOM 616 CG GLN A 40 155.789 11.438 -4.697 1.00 0.00 C ATOM 617 CD GLN A 40 155.672 12.952 -4.749 1.00 0.00 C ATOM 618 OE1 GLN A 40 155.303 13.520 -5.776 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.987 13.616 -3.640 1.00 0.00 N ATOM 0 H GLN A 40 156.738 9.305 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 40 157.139 12.114 -7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.236 9.885 -4.931 1.00 0.00 H new ATOM 0 HB3 GLN A 40 157.924 11.478 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 40 154.993 10.995 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 40 155.641 11.101 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 40 156.289 13.107 -2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 40 155.927 14.634 -3.621 1.00 0.00 H new ATOM 628 N PHE A 41 159.065 9.431 -7.100 1.00 0.00 N ATOM 629 CA PHE A 41 160.408 8.957 -7.420 1.00 0.00 C ATOM 630 C PHE A 41 160.841 9.388 -8.821 1.00 0.00 C ATOM 631 O PHE A 41 162.016 9.278 -9.173 1.00 0.00 O ATOM 632 CB PHE A 41 160.475 7.434 -7.302 1.00 0.00 C ATOM 633 CG PHE A 41 161.758 6.936 -6.701 1.00 0.00 C ATOM 634 CD1 PHE A 41 162.056 7.183 -5.371 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.664 6.220 -7.466 1.00 0.00 C ATOM 636 CE1 PHE A 41 163.236 6.726 -4.815 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.845 5.760 -6.916 1.00 0.00 C ATOM 638 CZ PHE A 41 164.131 6.013 -5.588 1.00 0.00 C ATOM 0 H PHE A 41 158.391 8.689 -6.910 1.00 0.00 H new ATOM 0 HA PHE A 41 161.094 9.407 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.639 7.087 -6.694 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.352 6.995 -8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.359 7.739 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 41 162.445 6.019 -8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.458 6.926 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 41 164.544 5.203 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 41 165.053 5.654 -5.155 1.00 0.00 H new ATOM 648 N GLU A 42 159.898 9.886 -9.616 1.00 0.00 N ATOM 649 CA GLU A 42 160.206 10.337 -10.966 1.00 0.00 C ATOM 650 C GLU A 42 161.228 11.469 -10.928 1.00 0.00 C ATOM 651 O GLU A 42 162.203 11.466 -11.679 1.00 0.00 O ATOM 652 CB GLU A 42 158.933 10.803 -11.676 1.00 0.00 C ATOM 653 CG GLU A 42 159.173 11.306 -13.090 1.00 0.00 C ATOM 654 CD GLU A 42 159.800 10.255 -13.985 1.00 0.00 C ATOM 655 OE1 GLU A 42 161.045 10.175 -14.025 1.00 0.00 O ATOM 656 OE2 GLU A 42 159.044 9.512 -14.646 1.00 0.00 O ATOM 0 H GLU A 42 158.919 9.986 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 42 160.630 9.500 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 42 158.223 9.977 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 42 158.471 11.598 -11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 42 158.226 11.628 -13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 42 159.821 12.182 -13.055 1.00 0.00 H new ATOM 663 N GLU A 43 160.994 12.437 -10.046 1.00 0.00 N ATOM 664 CA GLU A 43 161.890 13.579 -9.907 1.00 0.00 C ATOM 665 C GLU A 43 162.481 13.663 -8.499 1.00 0.00 C ATOM 666 O GLU A 43 163.431 14.409 -8.265 1.00 0.00 O ATOM 667 CB GLU A 43 161.147 14.875 -10.234 1.00 0.00 C ATOM 668 CG GLU A 43 162.070 16.052 -10.508 1.00 0.00 C ATOM 669 CD GLU A 43 161.546 16.960 -11.603 1.00 0.00 C ATOM 670 OE1 GLU A 43 160.326 17.229 -11.619 1.00 0.00 O ATOM 671 OE2 GLU A 43 162.355 17.403 -12.445 1.00 0.00 O ATOM 0 H GLU A 43 160.191 12.452 -9.417 1.00 0.00 H new ATOM 0 HA GLU A 43 162.711 13.442 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.513 14.711 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.488 15.126 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 43 162.198 16.629 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 43 163.055 15.679 -10.790 1.00 0.00 H new ATOM 678 N ARG A 44 161.917 12.903 -7.560 1.00 0.00 N ATOM 679 CA ARG A 44 162.400 12.912 -6.185 1.00 0.00 C ATOM 680 C ARG A 44 162.910 11.535 -5.772 1.00 0.00 C ATOM 681 O ARG A 44 162.656 11.079 -4.657 1.00 0.00 O ATOM 682 CB ARG A 44 161.287 13.362 -5.236 1.00 0.00 C ATOM 683 CG ARG A 44 160.900 14.823 -5.398 1.00 0.00 C ATOM 684 CD ARG A 44 160.564 15.461 -4.060 1.00 0.00 C ATOM 685 NE ARG A 44 159.424 16.371 -4.157 1.00 0.00 N ATOM 686 CZ ARG A 44 159.472 17.557 -4.759 1.00 0.00 C ATOM 687 NH1 ARG A 44 160.598 17.979 -5.321 1.00 0.00 N ATOM 688 NH2 ARG A 44 158.390 18.322 -4.801 1.00 0.00 N ATOM 0 H ARG A 44 161.129 12.277 -7.728 1.00 0.00 H new ATOM 0 HA ARG A 44 163.230 13.616 -6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.407 12.741 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.607 13.192 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 44 161.719 15.368 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 44 160.042 14.902 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.344 14.681 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 44 161.432 16.006 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 44 158.540 16.080 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 44 161.433 17.393 -5.293 1.00 0.00 H new ATOM 0 HH12 ARG A 44 160.629 18.889 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 44 157.522 18.001 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 44 158.426 19.231 -5.262 1.00 0.00 H new ATOM 702 N GLY A 45 163.631 10.875 -6.673 1.00 0.00 N ATOM 703 CA GLY A 45 164.162 9.559 -6.373 1.00 0.00 C ATOM 704 C GLY A 45 165.660 9.578 -6.141 1.00 0.00 C ATOM 705 O GLY A 45 166.438 9.762 -7.077 1.00 0.00 O ATOM 0 H GLY A 45 163.856 11.227 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.665 9.163 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.933 8.882 -7.196 1.00 0.00 H new ATOM 709 N GLY A 46 166.064 9.387 -4.889 1.00 0.00 N ATOM 710 CA GLY A 46 167.477 9.384 -4.557 1.00 0.00 C ATOM 711 C GLY A 46 167.816 8.357 -3.496 1.00 0.00 C ATOM 712 O GLY A 46 166.963 7.982 -2.692 1.00 0.00 O ATOM 0 H GLY A 46 165.438 9.234 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.059 9.180 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.768 10.374 -4.207 1.00 0.00 H new ATOM 716 N VAL A 47 169.062 7.896 -3.495 1.00 0.00 N ATOM 717 CA VAL A 47 169.507 6.902 -2.527 1.00 0.00 C ATOM 718 C VAL A 47 170.954 7.157 -2.112 1.00 0.00 C ATOM 719 O VAL A 47 171.862 7.134 -2.943 1.00 0.00 O ATOM 720 CB VAL A 47 169.374 5.475 -3.099 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.854 4.429 -2.101 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.933 5.208 -3.505 1.00 0.00 C ATOM 0 H VAL A 47 169.781 8.195 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 47 168.867 6.989 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 47 170.009 5.402 -3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.747 3.435 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.902 4.609 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 47 169.257 4.493 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.849 4.198 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 47 167.285 5.306 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.630 5.928 -4.265 1.00 0.00 H new ATOM 732 N GLU A 48 171.158 7.405 -0.822 1.00 0.00 N ATOM 733 CA GLU A 48 172.493 7.669 -0.296 1.00 0.00 C ATOM 734 C GLU A 48 173.056 6.437 0.404 1.00 0.00 C ATOM 735 O GLU A 48 172.326 5.696 1.061 1.00 0.00 O ATOM 736 CB GLU A 48 172.456 8.849 0.676 1.00 0.00 C ATOM 737 CG GLU A 48 173.833 9.370 1.054 1.00 0.00 C ATOM 738 CD GLU A 48 174.550 10.022 -0.112 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.910 10.817 -0.832 1.00 0.00 O ATOM 740 OE2 GLU A 48 175.751 9.738 -0.304 1.00 0.00 O ATOM 0 H GLU A 48 170.416 7.429 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 48 173.144 7.917 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 48 171.880 9.659 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.930 8.547 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 48 173.734 10.092 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 48 174.438 8.546 1.433 1.00 0.00 H new ATOM 747 N PHE A 49 174.360 6.221 0.254 1.00 0.00 N ATOM 748 CA PHE A 49 175.022 5.076 0.867 1.00 0.00 C ATOM 749 C PHE A 49 175.572 5.427 2.247 1.00 0.00 C ATOM 750 O PHE A 49 176.141 6.500 2.448 1.00 0.00 O ATOM 751 CB PHE A 49 176.155 4.584 -0.035 1.00 0.00 C ATOM 752 CG PHE A 49 176.883 3.391 0.513 1.00 0.00 C ATOM 753 CD1 PHE A 49 176.226 2.185 0.692 1.00 0.00 C ATOM 754 CD2 PHE A 49 178.224 3.477 0.850 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.893 1.086 1.197 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.896 2.382 1.356 1.00 0.00 C ATOM 757 CZ PHE A 49 178.229 1.185 1.529 1.00 0.00 C ATOM 0 H PHE A 49 174.978 6.825 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 49 174.283 4.284 0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.746 4.332 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.867 5.396 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 49 175.181 2.103 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.750 4.411 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.370 0.151 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.941 2.461 1.616 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.753 0.327 1.924 1.00 0.00 H new ATOM 767 N VAL A 50 175.402 4.508 3.192 1.00 0.00 N ATOM 768 CA VAL A 50 175.883 4.702 4.557 1.00 0.00 C ATOM 769 C VAL A 50 176.240 3.368 5.193 1.00 0.00 C ATOM 770 O VAL A 50 175.561 2.367 4.975 1.00 0.00 O ATOM 771 CB VAL A 50 174.839 5.399 5.454 1.00 0.00 C ATOM 772 CG1 VAL A 50 175.179 6.868 5.629 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.434 5.227 4.896 1.00 0.00 C ATOM 0 H VAL A 50 174.932 3.616 3.037 1.00 0.00 H new ATOM 0 HA VAL A 50 176.764 5.340 4.483 1.00 0.00 H new ATOM 0 HB VAL A 50 174.866 4.924 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 50 174.431 7.341 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 50 176.161 6.961 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 50 175.190 7.357 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.719 5.728 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.383 5.663 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.192 4.166 4.840 1.00 0.00 H new ATOM 783 N GLU A 51 177.305 3.350 5.979 1.00 0.00 N ATOM 784 CA GLU A 51 177.733 2.123 6.636 1.00 0.00 C ATOM 785 C GLU A 51 176.767 1.738 7.750 1.00 0.00 C ATOM 786 O GLU A 51 175.730 2.375 7.935 1.00 0.00 O ATOM 787 CB GLU A 51 179.144 2.289 7.203 1.00 0.00 C ATOM 788 CG GLU A 51 179.245 3.359 8.278 1.00 0.00 C ATOM 789 CD GLU A 51 180.436 4.276 8.079 1.00 0.00 C ATOM 790 OE1 GLU A 51 180.456 5.011 7.069 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.348 4.260 8.932 1.00 0.00 O ATOM 0 H GLU A 51 177.886 4.165 6.177 1.00 0.00 H new ATOM 0 HA GLU A 51 177.739 1.325 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.474 1.337 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.827 2.537 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 51 178.331 3.953 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.318 2.881 9.255 1.00 0.00 H new ATOM 798 N THR A 52 177.117 0.693 8.488 1.00 0.00 N ATOM 799 CA THR A 52 176.286 0.218 9.586 1.00 0.00 C ATOM 800 C THR A 52 176.347 1.178 10.770 1.00 0.00 C ATOM 801 O THR A 52 177.227 2.035 10.844 1.00 0.00 O ATOM 802 CB THR A 52 176.743 -1.174 10.019 1.00 0.00 C ATOM 803 OG1 THR A 52 176.723 -2.071 8.924 1.00 0.00 O ATOM 804 CG2 THR A 52 175.894 -1.773 11.120 1.00 0.00 C ATOM 0 H THR A 52 177.973 0.157 8.346 1.00 0.00 H new ATOM 0 HA THR A 52 175.254 0.168 9.239 1.00 0.00 H new ATOM 0 HB THR A 52 177.755 -1.037 10.401 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.409 -1.810 8.275 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.276 -2.761 11.377 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.931 -1.130 11.999 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.863 -1.860 10.778 1.00 0.00 H new ATOM 812 N ALA A 53 175.408 1.022 11.697 1.00 0.00 N ATOM 813 CA ALA A 53 175.354 1.865 12.883 1.00 0.00 C ATOM 814 C ALA A 53 176.149 1.241 14.026 1.00 0.00 C ATOM 815 O ALA A 53 176.990 0.370 13.805 1.00 0.00 O ATOM 816 CB ALA A 53 173.908 2.081 13.304 1.00 0.00 C ATOM 0 H ALA A 53 174.672 0.317 11.648 1.00 0.00 H new ATOM 0 HA ALA A 53 175.801 2.829 12.642 1.00 0.00 H new ATOM 0 HB1 ALA A 53 173.878 2.713 14.192 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.362 2.566 12.495 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.447 1.119 13.527 1.00 0.00 H new ATOM 822 N ASP A 54 175.868 1.681 15.249 1.00 0.00 N ATOM 823 CA ASP A 54 176.547 1.152 16.424 1.00 0.00 C ATOM 824 C ASP A 54 175.722 0.033 17.055 1.00 0.00 C ATOM 825 O ASP A 54 175.734 -0.148 18.271 1.00 0.00 O ATOM 826 CB ASP A 54 176.792 2.266 17.444 1.00 0.00 C ATOM 827 CG ASP A 54 178.189 2.845 17.342 1.00 0.00 C ATOM 828 OD1 ASP A 54 178.626 3.147 16.211 1.00 0.00 O ATOM 829 OD2 ASP A 54 178.847 2.996 18.393 1.00 0.00 O ATOM 0 H ASP A 54 175.175 2.402 15.451 1.00 0.00 H new ATOM 0 HA ASP A 54 177.509 0.745 16.113 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.061 3.060 17.294 1.00 0.00 H new ATOM 0 HB3 ASP A 54 176.636 1.875 18.449 1.00 0.00 H new ATOM 834 N ASP A 55 174.999 -0.706 16.211 1.00 0.00 N ATOM 835 CA ASP A 55 174.148 -1.809 16.658 1.00 0.00 C ATOM 836 C ASP A 55 172.785 -1.285 17.100 1.00 0.00 C ATOM 837 O ASP A 55 172.692 -0.442 17.993 1.00 0.00 O ATOM 838 CB ASP A 55 174.830 -2.617 17.782 1.00 0.00 C ATOM 839 CG ASP A 55 174.305 -2.295 19.173 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.121 -2.588 19.445 1.00 0.00 O ATOM 841 OD2 ASP A 55 175.079 -1.754 19.990 1.00 0.00 O ATOM 0 H ASP A 55 174.987 -0.557 15.202 1.00 0.00 H new ATOM 0 HA ASP A 55 173.994 -2.486 15.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 174.691 -3.681 17.588 1.00 0.00 H new ATOM 0 HB3 ASP A 55 175.903 -2.426 17.755 1.00 0.00 H new ATOM 846 N TRP A 56 171.729 -1.781 16.462 1.00 0.00 N ATOM 847 CA TRP A 56 170.376 -1.350 16.787 1.00 0.00 C ATOM 848 C TRP A 56 169.371 -2.486 16.614 1.00 0.00 C ATOM 849 O TRP A 56 168.384 -2.355 15.890 1.00 0.00 O ATOM 850 CB TRP A 56 169.977 -0.152 15.921 1.00 0.00 C ATOM 851 CG TRP A 56 170.485 -0.220 14.510 1.00 0.00 C ATOM 852 CD1 TRP A 56 171.789 -0.215 14.105 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.695 -0.291 13.316 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.858 -0.278 12.734 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.586 -0.326 12.227 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.322 -0.330 13.064 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.148 -0.396 10.907 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.886 -0.401 11.753 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.796 -0.434 10.689 1.00 0.00 C ATOM 0 H TRP A 56 171.785 -2.479 15.720 1.00 0.00 H new ATOM 0 HA TRP A 56 170.365 -1.051 17.835 1.00 0.00 H new ATOM 0 HB2 TRP A 56 168.890 -0.078 15.901 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.350 0.760 16.387 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.642 -0.168 14.766 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.717 -0.287 12.183 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.613 -0.305 13.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.848 -0.419 10.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.826 -0.431 11.547 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.425 -0.491 9.676 1.00 0.00 H new ATOM 870 N GLU A 57 169.631 -3.599 17.291 1.00 0.00 N ATOM 871 CA GLU A 57 168.751 -4.761 17.223 1.00 0.00 C ATOM 872 C GLU A 57 167.450 -4.497 17.976 1.00 0.00 C ATOM 873 O GLU A 57 167.284 -4.935 19.114 1.00 0.00 O ATOM 874 CB GLU A 57 169.448 -5.993 17.808 1.00 0.00 C ATOM 875 CG GLU A 57 170.880 -6.173 17.332 1.00 0.00 C ATOM 876 CD GLU A 57 171.741 -6.909 18.340 1.00 0.00 C ATOM 877 OE1 GLU A 57 171.205 -7.784 19.053 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.951 -6.611 18.417 1.00 0.00 O ATOM 0 H GLU A 57 170.445 -3.722 17.894 1.00 0.00 H new ATOM 0 HA GLU A 57 168.517 -4.948 16.175 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.443 -5.919 18.895 1.00 0.00 H new ATOM 0 HB3 GLU A 57 168.874 -6.882 17.546 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.880 -6.722 16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.318 -5.195 17.131 1.00 0.00 H new ATOM 885 N GLU A 58 166.532 -3.772 17.341 1.00 0.00 N ATOM 886 CA GLU A 58 165.255 -3.451 17.968 1.00 0.00 C ATOM 887 C GLU A 58 164.159 -3.211 16.931 1.00 0.00 C ATOM 888 O GLU A 58 163.031 -3.679 17.091 1.00 0.00 O ATOM 889 CB GLU A 58 165.408 -2.215 18.855 1.00 0.00 C ATOM 890 CG GLU A 58 165.593 -2.541 20.328 1.00 0.00 C ATOM 891 CD GLU A 58 166.387 -1.480 21.064 1.00 0.00 C ATOM 892 OE1 GLU A 58 165.767 -0.524 21.577 1.00 0.00 O ATOM 893 OE2 GLU A 58 167.628 -1.604 21.128 1.00 0.00 O ATOM 0 H GLU A 58 166.648 -3.398 16.399 1.00 0.00 H new ATOM 0 HA GLU A 58 164.958 -4.307 18.575 1.00 0.00 H new ATOM 0 HB2 GLU A 58 166.264 -1.634 18.510 1.00 0.00 H new ATOM 0 HB3 GLU A 58 164.527 -1.584 18.739 1.00 0.00 H new ATOM 0 HG2 GLU A 58 164.616 -2.649 20.798 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.101 -3.501 20.423 1.00 0.00 H new ATOM 900 N GLU A 59 164.490 -2.474 15.875 1.00 0.00 N ATOM 901 CA GLU A 59 163.520 -2.171 14.826 1.00 0.00 C ATOM 902 C GLU A 59 163.565 -3.209 13.708 1.00 0.00 C ATOM 903 O GLU A 59 162.528 -3.720 13.284 1.00 0.00 O ATOM 904 CB GLU A 59 163.771 -0.773 14.255 1.00 0.00 C ATOM 905 CG GLU A 59 165.078 -0.651 13.490 1.00 0.00 C ATOM 906 CD GLU A 59 165.478 0.792 13.248 1.00 0.00 C ATOM 907 OE1 GLU A 59 165.856 1.475 14.223 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.413 1.238 12.083 1.00 0.00 O ATOM 0 H GLU A 59 165.417 -2.077 15.723 1.00 0.00 H new ATOM 0 HA GLU A 59 162.527 -2.201 15.274 1.00 0.00 H new ATOM 0 HB2 GLU A 59 162.947 -0.507 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 59 163.770 -0.051 15.072 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.869 -1.155 14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 59 164.984 -1.164 12.533 1.00 0.00 H new ATOM 915 N ILE A 60 164.766 -3.520 13.234 1.00 0.00 N ATOM 916 CA ILE A 60 164.929 -4.502 12.164 1.00 0.00 C ATOM 917 C ILE A 60 164.862 -5.930 12.702 1.00 0.00 C ATOM 918 O ILE A 60 164.713 -6.881 11.936 1.00 0.00 O ATOM 919 CB ILE A 60 166.258 -4.317 11.395 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.407 -3.986 12.350 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.116 -3.231 10.340 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.754 -3.923 11.665 1.00 0.00 C ATOM 0 H ILE A 60 165.638 -3.110 13.570 1.00 0.00 H new ATOM 0 HA ILE A 60 164.102 -4.334 11.474 1.00 0.00 H new ATOM 0 HB ILE A 60 166.492 -5.259 10.898 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.206 -3.029 12.831 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.443 -4.738 13.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.061 -3.114 9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.334 -3.510 9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 60 165.851 -2.289 10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.524 -3.684 12.398 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.975 -4.887 11.207 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.735 -3.152 10.895 1.00 0.00 H new ATOM 934 N GLY A 61 164.972 -6.077 14.021 1.00 0.00 N ATOM 935 CA GLY A 61 164.919 -7.396 14.627 1.00 0.00 C ATOM 936 C GLY A 61 165.940 -8.347 14.034 1.00 0.00 C ATOM 937 O GLY A 61 165.599 -9.209 13.225 1.00 0.00 O ATOM 0 H GLY A 61 165.097 -5.307 14.679 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.090 -7.307 15.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 163.920 -7.813 14.497 1.00 0.00 H new ATOM 941 N VAL A 62 167.195 -8.191 14.444 1.00 0.00 N ATOM 942 CA VAL A 62 168.285 -9.038 13.962 1.00 0.00 C ATOM 943 C VAL A 62 169.619 -8.536 14.494 1.00 0.00 C ATOM 944 O VAL A 62 169.849 -7.330 14.570 1.00 0.00 O ATOM 945 CB VAL A 62 168.363 -9.102 12.417 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.806 -10.423 11.913 1.00 0.00 C ATOM 947 CG2 VAL A 62 167.645 -7.925 11.767 1.00 0.00 C ATOM 0 H VAL A 62 167.486 -7.480 15.115 1.00 0.00 H new ATOM 0 HA VAL A 62 168.075 -10.042 14.330 1.00 0.00 H new ATOM 0 HB VAL A 62 169.413 -9.036 12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.868 -10.453 10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.385 -11.246 12.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.765 -10.520 12.220 1.00 0.00 H new ATOM 0 HG21 VAL A 62 167.722 -8.006 10.683 1.00 0.00 H new ATOM 0 HG22 VAL A 62 166.595 -7.934 12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.104 -6.992 12.095 1.00 0.00 H new ATOM 957 N LEU A 63 170.498 -9.462 14.861 1.00 0.00 N ATOM 958 CA LEU A 63 171.810 -9.101 15.388 1.00 0.00 C ATOM 959 C LEU A 63 172.563 -8.204 14.409 1.00 0.00 C ATOM 960 O LEU A 63 172.780 -8.573 13.255 1.00 0.00 O ATOM 961 CB LEU A 63 172.627 -10.361 15.683 1.00 0.00 C ATOM 962 CG LEU A 63 172.771 -10.705 17.166 1.00 0.00 C ATOM 963 CD1 LEU A 63 171.502 -11.361 17.686 1.00 0.00 C ATOM 964 CD2 LEU A 63 173.972 -11.612 17.387 1.00 0.00 C ATOM 0 H LEU A 63 170.327 -10.466 14.804 1.00 0.00 H new ATOM 0 HA LEU A 63 171.663 -8.548 16.316 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.162 -11.205 15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 63 173.622 -10.239 15.255 1.00 0.00 H new ATOM 0 HG LEU A 63 172.931 -9.781 17.721 1.00 0.00 H new ATOM 0 HD11 LEU A 63 171.622 -11.599 18.743 1.00 0.00 H new ATOM 0 HD12 LEU A 63 170.662 -10.678 17.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 171.311 -12.277 17.127 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.060 -11.847 18.448 1.00 0.00 H new ATOM 0 HD22 LEU A 63 173.841 -12.534 16.821 1.00 0.00 H new ATOM 0 HD23 LEU A 63 174.877 -11.106 17.051 1.00 0.00 H new ATOM 976 N ILE A 64 172.957 -7.024 14.877 1.00 0.00 N ATOM 977 CA ILE A 64 173.683 -6.078 14.041 1.00 0.00 C ATOM 978 C ILE A 64 175.186 -6.169 14.283 1.00 0.00 C ATOM 979 O ILE A 64 175.634 -6.408 15.404 1.00 0.00 O ATOM 980 CB ILE A 64 173.207 -4.629 14.282 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.676 -4.557 14.264 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.797 -3.697 13.234 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.038 -5.335 13.132 1.00 0.00 C ATOM 0 H ILE A 64 172.785 -6.702 15.829 1.00 0.00 H new ATOM 0 HA ILE A 64 173.475 -6.345 13.005 1.00 0.00 H new ATOM 0 HB ILE A 64 173.554 -4.309 15.264 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.293 -4.935 15.212 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.372 -3.513 14.191 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.452 -2.679 13.417 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.885 -3.728 13.291 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.477 -4.016 12.242 1.00 0.00 H new ATOM 0 HD11 ILE A 64 169.954 -5.235 13.187 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.390 -4.943 12.178 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.310 -6.387 13.215 1.00 0.00 H new ATOM 995 N ASP A 65 175.957 -5.976 13.219 1.00 0.00 N ATOM 996 CA ASP A 65 177.412 -6.033 13.299 1.00 0.00 C ATOM 997 C ASP A 65 178.035 -5.051 12.311 1.00 0.00 C ATOM 998 O ASP A 65 178.040 -5.295 11.105 1.00 0.00 O ATOM 999 CB ASP A 65 177.905 -7.453 13.009 1.00 0.00 C ATOM 1000 CG ASP A 65 177.223 -8.491 13.878 1.00 0.00 C ATOM 1001 OD1 ASP A 65 177.210 -8.314 15.114 1.00 0.00 O ATOM 1002 OD2 ASP A 65 176.701 -9.480 13.322 1.00 0.00 O ATOM 0 H ASP A 65 175.596 -5.778 12.286 1.00 0.00 H new ATOM 0 HA ASP A 65 177.715 -5.756 14.309 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.728 -7.689 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 65 178.982 -7.500 13.169 1.00 0.00 H new ATOM 1007 N PRO A 66 178.564 -3.918 12.802 1.00 0.00 N ATOM 1008 CA PRO A 66 179.176 -2.905 11.940 1.00 0.00 C ATOM 1009 C PRO A 66 180.415 -3.424 11.222 1.00 0.00 C ATOM 1010 O PRO A 66 181.062 -4.366 11.679 1.00 0.00 O ATOM 1011 CB PRO A 66 179.545 -1.775 12.906 1.00 0.00 C ATOM 1012 CG PRO A 66 179.616 -2.422 14.246 1.00 0.00 C ATOM 1013 CD PRO A 66 178.601 -3.529 14.223 1.00 0.00 C ATOM 0 HA PRO A 66 178.500 -2.592 11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.498 -1.320 12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.798 -0.982 12.890 1.00 0.00 H new ATOM 0 HG2 PRO A 66 180.615 -2.812 14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.395 -1.706 15.038 1.00 0.00 H new ATOM 0 HD2 PRO A 66 178.898 -4.361 14.861 1.00 0.00 H new ATOM 0 HD3 PRO A 66 177.626 -3.190 14.574 1.00 0.00 H new ATOM 1021 N GLU A 67 180.735 -2.802 10.088 1.00 0.00 N ATOM 1022 CA GLU A 67 181.897 -3.186 9.286 1.00 0.00 C ATOM 1023 C GLU A 67 181.609 -4.409 8.413 1.00 0.00 C ATOM 1024 O GLU A 67 182.366 -4.704 7.489 1.00 0.00 O ATOM 1025 CB GLU A 67 183.111 -3.460 10.181 1.00 0.00 C ATOM 1026 CG GLU A 67 183.268 -2.463 11.318 1.00 0.00 C ATOM 1027 CD GLU A 67 184.720 -2.193 11.659 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.274 -2.917 12.512 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.303 -1.257 11.071 1.00 0.00 O ATOM 0 H GLU A 67 180.201 -2.024 9.701 1.00 0.00 H new ATOM 0 HA GLU A 67 182.120 -2.347 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.025 -4.463 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 67 184.013 -3.446 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 67 182.782 -1.526 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 67 182.755 -2.842 12.202 1.00 0.00 H new ATOM 1036 N GLU A 68 180.519 -5.120 8.700 1.00 0.00 N ATOM 1037 CA GLU A 68 180.166 -6.303 7.922 1.00 0.00 C ATOM 1038 C GLU A 68 178.850 -6.111 7.161 1.00 0.00 C ATOM 1039 O GLU A 68 178.390 -7.020 6.470 1.00 0.00 O ATOM 1040 CB GLU A 68 180.096 -7.539 8.828 1.00 0.00 C ATOM 1041 CG GLU A 68 178.842 -7.625 9.681 1.00 0.00 C ATOM 1042 CD GLU A 68 178.392 -9.055 9.909 1.00 0.00 C ATOM 1043 OE1 GLU A 68 177.887 -9.678 8.951 1.00 0.00 O ATOM 1044 OE2 GLU A 68 178.545 -9.552 11.044 1.00 0.00 O ATOM 0 H GLU A 68 179.872 -4.899 9.457 1.00 0.00 H new ATOM 0 HA GLU A 68 180.950 -6.457 7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.160 -8.433 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 68 180.967 -7.543 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 68 179.028 -7.148 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 68 178.039 -7.067 9.199 1.00 0.00 H new ATOM 1051 N TYR A 69 178.257 -4.922 7.273 1.00 0.00 N ATOM 1052 CA TYR A 69 177.009 -4.627 6.570 1.00 0.00 C ATOM 1053 C TYR A 69 177.022 -3.217 5.990 1.00 0.00 C ATOM 1054 O TYR A 69 177.564 -2.288 6.589 1.00 0.00 O ATOM 1055 CB TYR A 69 175.788 -4.777 7.493 1.00 0.00 C ATOM 1056 CG TYR A 69 175.681 -6.107 8.214 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.391 -7.286 7.531 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.858 -6.177 9.590 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.287 -8.491 8.201 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.755 -7.379 10.265 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.471 -8.531 9.566 1.00 0.00 C ATOM 1062 OH TYR A 69 175.368 -9.729 10.235 1.00 0.00 O ATOM 0 H TYR A 69 178.617 -4.154 7.839 1.00 0.00 H new ATOM 0 HA TYR A 69 176.930 -5.351 5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.815 -3.980 8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.885 -4.630 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.245 -7.258 6.461 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.080 -5.276 10.143 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.063 -9.397 7.657 1.00 0.00 H new ATOM 0 HE2 TYR A 69 175.897 -7.414 11.335 1.00 0.00 H new ATOM 0 HH TYR A 69 175.526 -9.584 11.191 1.00 0.00 H new ATOM 1072 N ALA A 70 176.401 -3.066 4.823 1.00 0.00 N ATOM 1073 CA ALA A 70 176.312 -1.773 4.155 1.00 0.00 C ATOM 1074 C ALA A 70 174.872 -1.276 4.176 1.00 0.00 C ATOM 1075 O ALA A 70 173.972 -1.944 3.667 1.00 0.00 O ATOM 1076 CB ALA A 70 176.824 -1.878 2.726 1.00 0.00 C ATOM 0 H ALA A 70 175.950 -3.829 4.319 1.00 0.00 H new ATOM 0 HA ALA A 70 176.936 -1.055 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.751 -0.905 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.865 -2.202 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 70 176.224 -2.603 2.177 1.00 0.00 H new ATOM 1082 N GLU A 71 174.649 -0.115 4.783 1.00 0.00 N ATOM 1083 CA GLU A 71 173.305 0.441 4.885 1.00 0.00 C ATOM 1084 C GLU A 71 172.996 1.392 3.729 1.00 0.00 C ATOM 1085 O GLU A 71 173.767 2.302 3.428 1.00 0.00 O ATOM 1086 CB GLU A 71 173.140 1.159 6.236 1.00 0.00 C ATOM 1087 CG GLU A 71 172.009 2.183 6.287 1.00 0.00 C ATOM 1088 CD GLU A 71 172.009 2.981 7.576 1.00 0.00 C ATOM 1089 OE1 GLU A 71 172.051 2.359 8.659 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.967 4.227 7.504 1.00 0.00 O ATOM 0 H GLU A 71 175.378 0.457 5.210 1.00 0.00 H new ATOM 0 HA GLU A 71 172.593 -0.382 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 71 172.968 0.411 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.076 1.661 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.101 2.864 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.053 1.670 6.181 1.00 0.00 H new ATOM 1097 N VAL A 72 171.844 1.183 3.105 1.00 0.00 N ATOM 1098 CA VAL A 72 171.401 2.026 2.005 1.00 0.00 C ATOM 1099 C VAL A 72 170.111 2.735 2.395 1.00 0.00 C ATOM 1100 O VAL A 72 169.255 2.154 3.060 1.00 0.00 O ATOM 1101 CB VAL A 72 171.194 1.211 0.705 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.079 1.797 -0.154 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.492 1.151 -0.081 1.00 0.00 C ATOM 0 H VAL A 72 171.197 0.432 3.345 1.00 0.00 H new ATOM 0 HA VAL A 72 172.179 2.763 1.806 1.00 0.00 H new ATOM 0 HB VAL A 72 170.896 0.201 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.963 1.198 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.145 1.790 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.331 2.822 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.338 0.576 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.809 2.162 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.262 0.672 0.524 1.00 0.00 H new ATOM 1113 N TRP A 73 169.982 3.992 1.996 1.00 0.00 N ATOM 1114 CA TRP A 73 168.797 4.771 2.331 1.00 0.00 C ATOM 1115 C TRP A 73 168.034 5.194 1.084 1.00 0.00 C ATOM 1116 O TRP A 73 168.626 5.647 0.104 1.00 0.00 O ATOM 1117 CB TRP A 73 169.190 6.006 3.142 1.00 0.00 C ATOM 1118 CG TRP A 73 169.295 5.736 4.611 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.567 4.537 5.203 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.127 6.680 5.673 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.577 4.677 6.568 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.311 5.983 6.881 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.841 8.048 5.722 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.217 6.604 8.121 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.748 8.664 6.955 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.936 7.942 8.141 1.00 0.00 C ATOM 0 H TRP A 73 170.678 4.493 1.443 1.00 0.00 H new ATOM 0 HA TRP A 73 168.142 4.137 2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.146 6.382 2.779 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.454 6.792 2.975 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.748 3.613 4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.754 3.930 7.240 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.696 8.612 4.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.361 6.049 9.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.527 9.720 7.006 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.857 8.452 9.090 1.00 0.00 H new ATOM 1137 N VAL A 74 166.713 5.062 1.140 1.00 0.00 N ATOM 1138 CA VAL A 74 165.857 5.447 0.029 1.00 0.00 C ATOM 1139 C VAL A 74 164.796 6.434 0.492 1.00 0.00 C ATOM 1140 O VAL A 74 163.808 6.056 1.122 1.00 0.00 O ATOM 1141 CB VAL A 74 165.165 4.236 -0.617 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.317 4.688 -1.796 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.191 3.200 -1.048 1.00 0.00 C ATOM 0 H VAL A 74 166.213 4.690 1.947 1.00 0.00 H new ATOM 0 HA VAL A 74 166.501 5.912 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 74 164.510 3.770 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 74 163.831 3.823 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.559 5.391 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 74 164.953 5.174 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.681 2.351 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 74 166.874 3.644 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.754 2.862 -0.178 1.00 0.00 H new ATOM 1153 N GLY A 75 165.024 7.702 0.189 1.00 0.00 N ATOM 1154 CA GLY A 75 164.096 8.743 0.594 1.00 0.00 C ATOM 1155 C GLY A 75 163.411 9.415 -0.576 1.00 0.00 C ATOM 1156 O GLY A 75 163.112 8.774 -1.583 1.00 0.00 O ATOM 0 H GLY A 75 165.837 8.032 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.341 8.312 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.632 9.494 1.174 1.00 0.00 H new ATOM 1160 N LEU A 76 163.173 10.716 -0.442 1.00 0.00 N ATOM 1161 CA LEU A 76 162.524 11.493 -1.502 1.00 0.00 C ATOM 1162 C LEU A 76 163.204 12.852 -1.654 1.00 0.00 C ATOM 1163 O LEU A 76 162.740 13.857 -1.114 1.00 0.00 O ATOM 1164 CB LEU A 76 161.018 11.672 -1.218 1.00 0.00 C ATOM 1165 CG LEU A 76 160.081 11.295 -2.372 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.454 9.938 -2.955 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.634 11.295 -1.897 1.00 0.00 C ATOM 0 H LEU A 76 163.418 11.257 0.387 1.00 0.00 H new ATOM 0 HA LEU A 76 162.626 10.942 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.756 11.070 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.837 12.713 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 76 160.190 12.040 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.775 9.694 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.476 9.972 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.378 9.176 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 76 157.979 11.026 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.516 10.571 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.370 12.288 -1.534 1.00 0.00 H new ATOM 1179 N VAL A 77 164.318 12.868 -2.382 1.00 0.00 N ATOM 1180 CA VAL A 77 165.084 14.094 -2.598 1.00 0.00 C ATOM 1181 C VAL A 77 164.325 15.104 -3.446 1.00 0.00 C ATOM 1182 O VAL A 77 163.277 14.801 -4.015 1.00 0.00 O ATOM 1183 CB VAL A 77 166.444 13.809 -3.265 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.453 13.340 -2.229 1.00 0.00 C ATOM 1185 CG2 VAL A 77 166.297 12.789 -4.383 1.00 0.00 C ATOM 0 H VAL A 77 164.712 12.043 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 77 165.249 14.517 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 77 166.812 14.735 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.408 13.143 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.584 14.113 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.091 12.427 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.270 12.605 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 165.905 11.857 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 77 165.611 13.173 -5.138 1.00 0.00 H new ATOM 1195 N ASN A 78 164.875 16.311 -3.518 1.00 0.00 N ATOM 1196 CA ASN A 78 164.274 17.391 -4.288 1.00 0.00 C ATOM 1197 C ASN A 78 165.185 17.790 -5.448 1.00 0.00 C ATOM 1198 O ASN A 78 166.112 17.059 -5.797 1.00 0.00 O ATOM 1199 CB ASN A 78 164.007 18.596 -3.380 1.00 0.00 C ATOM 1200 CG ASN A 78 162.924 18.318 -2.355 1.00 0.00 C ATOM 1201 OD1 ASN A 78 161.798 17.967 -2.705 1.00 0.00 O ATOM 1202 ND2 ASN A 78 163.260 18.476 -1.080 1.00 0.00 N ATOM 0 H ASN A 78 165.743 16.566 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 78 163.326 17.044 -4.699 1.00 0.00 H new ATOM 0 HB2 ASN A 78 164.928 18.872 -2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 78 163.715 19.450 -3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 78 162.572 18.305 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 78 164.206 18.769 -0.834 1.00 0.00 H new ATOM 1209 N GLU A 79 164.917 18.947 -6.043 1.00 0.00 N ATOM 1210 CA GLU A 79 165.714 19.432 -7.164 1.00 0.00 C ATOM 1211 C GLU A 79 167.165 19.682 -6.754 1.00 0.00 C ATOM 1212 O GLU A 79 168.043 19.806 -7.607 1.00 0.00 O ATOM 1213 CB GLU A 79 165.105 20.718 -7.726 1.00 0.00 C ATOM 1214 CG GLU A 79 164.048 20.477 -8.790 1.00 0.00 C ATOM 1215 CD GLU A 79 164.607 20.560 -10.197 1.00 0.00 C ATOM 1216 OE1 GLU A 79 164.899 21.685 -10.654 1.00 0.00 O ATOM 1217 OE2 GLU A 79 164.754 19.501 -10.841 1.00 0.00 O ATOM 0 H GLU A 79 164.155 19.566 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 79 165.708 18.660 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 79 164.662 21.288 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 79 165.900 21.332 -8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 79 163.602 19.494 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 79 163.250 21.210 -8.676 1.00 0.00 H new ATOM 1224 N GLN A 80 167.415 19.760 -5.448 1.00 0.00 N ATOM 1225 CA GLN A 80 168.758 20.001 -4.947 1.00 0.00 C ATOM 1226 C GLN A 80 169.527 18.691 -4.778 1.00 0.00 C ATOM 1227 O GLN A 80 170.258 18.276 -5.677 1.00 0.00 O ATOM 1228 CB GLN A 80 168.706 20.776 -3.624 1.00 0.00 C ATOM 1229 CG GLN A 80 167.465 20.505 -2.783 1.00 0.00 C ATOM 1230 CD GLN A 80 167.655 20.882 -1.327 1.00 0.00 C ATOM 1231 OE1 GLN A 80 168.221 20.118 -0.545 1.00 0.00 O ATOM 1232 NE2 GLN A 80 167.182 22.066 -0.955 1.00 0.00 N ATOM 0 H GLN A 80 166.704 19.660 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 80 169.290 20.606 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 80 169.590 20.527 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 80 168.757 21.843 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 80 166.624 21.064 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 80 167.208 19.448 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 80 166.720 22.668 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 80 167.281 22.374 0.012 1.00 0.00 H new ATOM 1241 N ASP A 81 169.362 18.041 -3.627 1.00 0.00 N ATOM 1242 CA ASP A 81 170.050 16.776 -3.356 1.00 0.00 C ATOM 1243 C ASP A 81 169.879 16.351 -1.896 1.00 0.00 C ATOM 1244 O ASP A 81 170.843 15.966 -1.234 1.00 0.00 O ATOM 1245 CB ASP A 81 171.543 16.894 -3.694 1.00 0.00 C ATOM 1246 CG ASP A 81 171.977 15.893 -4.746 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.144 15.534 -5.604 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.151 15.468 -4.712 1.00 0.00 O ATOM 0 H ASP A 81 168.761 18.366 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 81 169.599 16.012 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 81 171.754 17.903 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.131 16.744 -2.789 1.00 0.00 H new ATOM 1253 N GLU A 82 168.649 16.417 -1.399 1.00 0.00 N ATOM 1254 CA GLU A 82 168.363 16.034 -0.021 1.00 0.00 C ATOM 1255 C GLU A 82 166.961 15.446 0.100 1.00 0.00 C ATOM 1256 O GLU A 82 165.972 16.110 -0.212 1.00 0.00 O ATOM 1257 CB GLU A 82 168.502 17.243 0.904 1.00 0.00 C ATOM 1258 CG GLU A 82 169.940 17.554 1.288 1.00 0.00 C ATOM 1259 CD GLU A 82 170.039 18.605 2.376 1.00 0.00 C ATOM 1260 OE1 GLU A 82 169.296 18.498 3.374 1.00 0.00 O ATOM 1261 OE2 GLU A 82 170.860 19.535 2.231 1.00 0.00 O ATOM 0 H GLU A 82 167.836 16.731 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 82 169.084 15.272 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.069 18.116 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 82 167.923 17.065 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 82 170.428 16.640 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.481 17.897 0.406 1.00 0.00 H new ATOM 1268 N MET A 83 166.878 14.198 0.554 1.00 0.00 N ATOM 1269 CA MET A 83 165.587 13.532 0.710 1.00 0.00 C ATOM 1270 C MET A 83 164.803 14.111 1.883 1.00 0.00 C ATOM 1271 O MET A 83 163.574 14.044 1.907 1.00 0.00 O ATOM 1272 CB MET A 83 165.742 12.007 0.881 1.00 0.00 C ATOM 1273 CG MET A 83 167.085 11.543 1.436 1.00 0.00 C ATOM 1274 SD MET A 83 168.294 11.200 0.143 1.00 0.00 S ATOM 1275 CE MET A 83 168.203 9.413 0.060 1.00 0.00 C ATOM 0 H MET A 83 167.683 13.630 0.819 1.00 0.00 H new ATOM 0 HA MET A 83 165.029 13.714 -0.208 1.00 0.00 H new ATOM 0 HB2 MET A 83 164.952 11.651 1.542 1.00 0.00 H new ATOM 0 HB3 MET A 83 165.585 11.532 -0.088 1.00 0.00 H new ATOM 0 HG2 MET A 83 167.481 12.308 2.104 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.935 10.644 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 83 169.081 9.028 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 83 168.168 9.003 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.304 9.119 -0.482 1.00 0.00 H new ATOM 1285 N ASP A 84 165.511 14.676 2.858 1.00 0.00 N ATOM 1286 CA ASP A 84 164.871 15.259 4.035 1.00 0.00 C ATOM 1287 C ASP A 84 163.926 14.264 4.721 1.00 0.00 C ATOM 1288 O ASP A 84 163.206 14.629 5.650 1.00 0.00 O ATOM 1289 CB ASP A 84 164.099 16.521 3.642 1.00 0.00 C ATOM 1290 CG ASP A 84 164.816 17.790 4.061 1.00 0.00 C ATOM 1291 OD1 ASP A 84 165.889 18.081 3.493 1.00 0.00 O ATOM 1292 OD2 ASP A 84 164.303 18.493 4.957 1.00 0.00 O ATOM 0 H ASP A 84 166.529 14.743 2.856 1.00 0.00 H new ATOM 0 HA ASP A 84 165.658 15.516 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 84 163.949 16.531 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 84 163.111 16.497 4.101 1.00 0.00 H new ATOM 1297 N ASP A 85 163.920 13.013 4.256 1.00 0.00 N ATOM 1298 CA ASP A 85 163.058 11.983 4.813 1.00 0.00 C ATOM 1299 C ASP A 85 163.253 10.679 4.047 1.00 0.00 C ATOM 1300 O ASP A 85 163.065 10.626 2.827 1.00 0.00 O ATOM 1301 CB ASP A 85 161.590 12.415 4.749 1.00 0.00 C ATOM 1302 CG ASP A 85 161.092 12.967 6.071 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.432 12.386 7.123 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.361 13.979 6.053 1.00 0.00 O ATOM 0 H ASP A 85 164.510 12.693 3.488 1.00 0.00 H new ATOM 0 HA ASP A 85 163.326 11.830 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.470 13.172 3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 85 160.975 11.563 4.460 1.00 0.00 H new ATOM 1309 N VAL A 86 163.642 9.636 4.766 1.00 0.00 N ATOM 1310 CA VAL A 86 163.874 8.331 4.157 1.00 0.00 C ATOM 1311 C VAL A 86 162.615 7.470 4.219 1.00 0.00 C ATOM 1312 O VAL A 86 161.882 7.488 5.209 1.00 0.00 O ATOM 1313 CB VAL A 86 165.057 7.590 4.833 1.00 0.00 C ATOM 1314 CG1 VAL A 86 165.083 7.861 6.328 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.004 6.092 4.556 1.00 0.00 C ATOM 0 H VAL A 86 163.804 9.666 5.773 1.00 0.00 H new ATOM 0 HA VAL A 86 164.132 8.503 3.112 1.00 0.00 H new ATOM 0 HB VAL A 86 165.980 7.976 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.921 7.330 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 86 165.195 8.931 6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 86 164.151 7.516 6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.847 5.602 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.072 5.683 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.056 5.919 3.481 1.00 0.00 H new ATOM 1325 N PHE A 87 162.375 6.716 3.152 1.00 0.00 N ATOM 1326 CA PHE A 87 161.211 5.842 3.073 1.00 0.00 C ATOM 1327 C PHE A 87 161.541 4.466 3.635 1.00 0.00 C ATOM 1328 O PHE A 87 160.697 3.812 4.248 1.00 0.00 O ATOM 1329 CB PHE A 87 160.750 5.709 1.620 1.00 0.00 C ATOM 1330 CG PHE A 87 159.671 6.679 1.238 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.535 6.813 2.018 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.791 7.455 0.097 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.538 7.702 1.668 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.798 8.346 -0.259 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.670 8.471 0.526 1.00 0.00 C ATOM 0 H PHE A 87 162.974 6.693 2.327 1.00 0.00 H new ATOM 0 HA PHE A 87 160.408 6.282 3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.607 5.854 0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.389 4.694 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.427 6.215 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.672 7.362 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.657 7.797 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.904 8.945 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.892 9.167 0.249 1.00 0.00 H new ATOM 1345 N ALA A 88 162.777 4.036 3.418 1.00 0.00 N ATOM 1346 CA ALA A 88 163.233 2.740 3.897 1.00 0.00 C ATOM 1347 C ALA A 88 164.752 2.651 3.839 1.00 0.00 C ATOM 1348 O ALA A 88 165.398 3.422 3.130 1.00 0.00 O ATOM 1349 CB ALA A 88 162.606 1.623 3.074 1.00 0.00 C ATOM 0 H ALA A 88 163.484 4.569 2.911 1.00 0.00 H new ATOM 0 HA ALA A 88 162.921 2.627 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.956 0.659 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.521 1.673 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.892 1.737 2.028 1.00 0.00 H new ATOM 1355 N LYS A 89 165.319 1.700 4.571 1.00 0.00 N ATOM 1356 CA LYS A 89 166.764 1.505 4.582 1.00 0.00 C ATOM 1357 C LYS A 89 167.076 0.037 4.320 1.00 0.00 C ATOM 1358 O LYS A 89 166.295 -0.837 4.687 1.00 0.00 O ATOM 1359 CB LYS A 89 167.367 1.943 5.923 1.00 0.00 C ATOM 1360 CG LYS A 89 166.616 3.082 6.599 1.00 0.00 C ATOM 1361 CD LYS A 89 167.016 3.221 8.059 1.00 0.00 C ATOM 1362 CE LYS A 89 165.929 3.906 8.874 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.468 5.036 9.680 1.00 0.00 N ATOM 0 H LYS A 89 164.801 1.052 5.164 1.00 0.00 H new ATOM 0 HA LYS A 89 167.208 2.119 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.389 1.086 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.401 2.249 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.819 4.016 6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.543 2.904 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.218 2.235 8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 89 167.941 3.793 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 89 165.152 4.276 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.460 3.179 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 165.716 5.735 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.812 4.678 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 167.253 5.486 9.166 1.00 0.00 H new ATOM 1377 N PHE A 90 168.203 -0.238 3.673 1.00 0.00 N ATOM 1378 CA PHE A 90 168.570 -1.616 3.362 1.00 0.00 C ATOM 1379 C PHE A 90 169.989 -1.941 3.812 1.00 0.00 C ATOM 1380 O PHE A 90 170.907 -1.142 3.640 1.00 0.00 O ATOM 1381 CB PHE A 90 168.435 -1.867 1.859 1.00 0.00 C ATOM 1382 CG PHE A 90 167.069 -1.554 1.320 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.580 -0.258 1.345 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.272 -2.557 0.792 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.322 0.032 0.853 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.014 -2.273 0.298 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.539 -0.977 0.328 1.00 0.00 C ATOM 0 H PHE A 90 168.871 0.465 3.357 1.00 0.00 H new ATOM 0 HA PHE A 90 167.889 -2.269 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.173 -1.263 1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.669 -2.911 1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.189 0.535 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.639 -3.572 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 90 164.952 1.046 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.403 -3.064 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.556 -0.753 -0.059 1.00 0.00 H new ATOM 1397 N LEU A 91 170.159 -3.133 4.374 1.00 0.00 N ATOM 1398 CA LEU A 91 171.463 -3.586 4.836 1.00 0.00 C ATOM 1399 C LEU A 91 171.870 -4.856 4.097 1.00 0.00 C ATOM 1400 O LEU A 91 171.067 -5.778 3.945 1.00 0.00 O ATOM 1401 CB LEU A 91 171.442 -3.837 6.345 1.00 0.00 C ATOM 1402 CG LEU A 91 170.664 -2.806 7.164 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.203 -3.414 8.477 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.518 -1.572 7.416 1.00 0.00 C ATOM 0 H LEU A 91 169.405 -3.805 4.520 1.00 0.00 H new ATOM 0 HA LEU A 91 172.194 -2.805 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 91 171.013 -4.822 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.470 -3.865 6.707 1.00 0.00 H new ATOM 0 HG LEU A 91 169.784 -2.503 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.651 -2.668 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.557 -4.268 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.070 -3.742 9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.949 -0.849 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.415 -1.857 7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.802 -1.126 6.463 1.00 0.00 H new ATOM 1416 N ILE A 92 173.115 -4.896 3.633 1.00 0.00 N ATOM 1417 CA ILE A 92 173.621 -6.054 2.900 1.00 0.00 C ATOM 1418 C ILE A 92 174.921 -6.566 3.511 1.00 0.00 C ATOM 1419 O ILE A 92 175.763 -5.783 3.949 1.00 0.00 O ATOM 1420 CB ILE A 92 173.869 -5.733 1.405 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.256 -4.382 1.016 1.00 0.00 C ATOM 1422 CG2 ILE A 92 173.323 -6.848 0.523 1.00 0.00 C ATOM 1423 CD1 ILE A 92 171.758 -4.427 0.839 1.00 0.00 C ATOM 0 H ILE A 92 173.792 -4.142 3.751 1.00 0.00 H new ATOM 0 HA ILE A 92 172.851 -6.822 2.972 1.00 0.00 H new ATOM 0 HB ILE A 92 174.946 -5.664 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 92 173.501 -3.647 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.713 -4.039 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 92 173.506 -6.606 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 92 173.821 -7.785 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 92 172.251 -6.952 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 92 171.394 -3.437 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 92 171.506 -5.137 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.291 -4.739 1.773 1.00 0.00 H new ATOM 1435 N SER A 93 175.081 -7.885 3.528 1.00 0.00 N ATOM 1436 CA SER A 93 176.282 -8.503 4.078 1.00 0.00 C ATOM 1437 C SER A 93 177.463 -8.326 3.129 1.00 0.00 C ATOM 1438 O SER A 93 177.291 -8.289 1.911 1.00 0.00 O ATOM 1439 CB SER A 93 176.042 -9.991 4.340 1.00 0.00 C ATOM 1440 OG SER A 93 175.423 -10.195 5.599 1.00 0.00 O ATOM 0 H SER A 93 174.394 -8.547 3.167 1.00 0.00 H new ATOM 0 HA SER A 93 176.517 -8.010 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.414 -10.405 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.991 -10.527 4.307 1.00 0.00 H new ATOM 0 HG SER A 93 175.668 -9.466 6.206 1.00 0.00 H new ATOM 1446 N HIS A 94 178.662 -8.214 3.693 1.00 0.00 N ATOM 1447 CA HIS A 94 179.870 -8.037 2.892 1.00 0.00 C ATOM 1448 C HIS A 94 180.513 -9.382 2.559 1.00 0.00 C ATOM 1449 O HIS A 94 181.706 -9.451 2.265 1.00 0.00 O ATOM 1450 CB HIS A 94 180.877 -7.153 3.633 1.00 0.00 C ATOM 1451 CG HIS A 94 180.506 -5.700 3.662 1.00 0.00 C ATOM 1452 ND1 HIS A 94 181.252 -4.722 3.038 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.464 -5.059 4.245 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.686 -3.545 3.235 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.600 -3.722 3.963 1.00 0.00 N ATOM 0 H HIS A 94 178.823 -8.243 4.700 1.00 0.00 H new ATOM 0 HA HIS A 94 179.582 -7.551 1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.976 -7.513 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.854 -7.259 3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.674 -5.515 4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 94 181.050 -2.599 2.863 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.964 -2.985 4.267 1.00 0.00 H new ATOM 1464 N ARG A 95 179.721 -10.449 2.607 1.00 0.00 N ATOM 1465 CA ARG A 95 180.221 -11.786 2.309 1.00 0.00 C ATOM 1466 C ARG A 95 179.922 -12.168 0.863 1.00 0.00 C ATOM 1467 O ARG A 95 178.962 -11.681 0.267 1.00 0.00 O ATOM 1468 CB ARG A 95 179.601 -12.810 3.264 1.00 0.00 C ATOM 1469 CG ARG A 95 180.590 -13.384 4.265 1.00 0.00 C ATOM 1470 CD ARG A 95 180.010 -14.585 4.995 1.00 0.00 C ATOM 1471 NE ARG A 95 180.508 -15.848 4.455 1.00 0.00 N ATOM 1472 CZ ARG A 95 180.452 -17.006 5.108 1.00 0.00 C ATOM 1473 NH1 ARG A 95 179.919 -17.067 6.322 1.00 0.00 N ATOM 1474 NH2 ARG A 95 180.929 -18.108 4.544 1.00 0.00 N ATOM 0 H ARG A 95 178.731 -10.413 2.849 1.00 0.00 H new ATOM 0 HA ARG A 95 181.302 -11.783 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 95 178.780 -12.339 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.172 -13.625 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 95 181.504 -13.677 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 95 180.865 -12.616 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.259 -14.520 6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 95 178.923 -14.563 4.922 1.00 0.00 H new ATOM 0 HE ARG A 95 180.923 -15.842 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 95 179.549 -16.223 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 95 179.879 -17.958 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 95 181.338 -18.067 3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 95 180.887 -18.996 5.044 1.00 0.00 H new ATOM 1488 N GLU A 96 180.751 -13.044 0.305 1.00 0.00 N ATOM 1489 CA GLU A 96 180.576 -13.492 -1.072 1.00 0.00 C ATOM 1490 C GLU A 96 179.633 -14.689 -1.139 1.00 0.00 C ATOM 1491 O GLU A 96 178.795 -14.782 -2.036 1.00 0.00 O ATOM 1492 CB GLU A 96 181.928 -13.856 -1.687 1.00 0.00 C ATOM 1493 CG GLU A 96 182.055 -13.464 -3.150 1.00 0.00 C ATOM 1494 CD GLU A 96 182.937 -14.417 -3.934 1.00 0.00 C ATOM 1495 OE1 GLU A 96 182.759 -15.645 -3.790 1.00 0.00 O ATOM 1496 OE2 GLU A 96 183.805 -13.934 -4.691 1.00 0.00 O ATOM 0 H GLU A 96 181.550 -13.458 0.785 1.00 0.00 H new ATOM 0 HA GLU A 96 180.135 -12.674 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 96 182.720 -13.368 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 96 182.084 -14.931 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.064 -13.437 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 96 182.465 -12.456 -3.218 1.00 0.00 H new ATOM 1503 N GLU A 97 179.776 -15.604 -0.185 1.00 0.00 N ATOM 1504 CA GLU A 97 178.936 -16.795 -0.138 1.00 0.00 C ATOM 1505 C GLU A 97 177.865 -16.663 0.940 1.00 0.00 C ATOM 1506 O GLU A 97 178.171 -16.607 2.131 1.00 0.00 O ATOM 1507 CB GLU A 97 179.789 -18.038 0.120 1.00 0.00 C ATOM 1508 CG GLU A 97 179.975 -18.912 -1.109 1.00 0.00 C ATOM 1509 CD GLU A 97 180.364 -20.335 -0.759 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.348 -20.515 -0.011 1.00 0.00 O ATOM 1511 OE2 GLU A 97 179.684 -21.270 -1.232 1.00 0.00 O ATOM 0 H GLU A 97 180.465 -15.543 0.565 1.00 0.00 H new ATOM 0 HA GLU A 97 178.442 -16.899 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.767 -17.728 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.326 -18.629 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.050 -18.923 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 97 180.743 -18.476 -1.748 1.00 0.00 H new ATOM 1518 N ASP A 98 176.609 -16.610 0.511 1.00 0.00 N ATOM 1519 CA ASP A 98 175.487 -16.481 1.435 1.00 0.00 C ATOM 1520 C ASP A 98 175.531 -15.136 2.153 1.00 0.00 C ATOM 1521 O ASP A 98 176.289 -14.954 3.106 1.00 0.00 O ATOM 1522 CB ASP A 98 175.501 -17.623 2.455 1.00 0.00 C ATOM 1523 CG ASP A 98 174.428 -18.658 2.178 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.304 -18.503 2.702 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.711 -19.622 1.437 1.00 0.00 O ATOM 0 H ASP A 98 176.341 -16.654 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 98 174.563 -16.535 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.479 -18.105 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 98 175.359 -17.215 3.456 1.00 0.00 H new ATOM 1530 N ARG A 99 174.714 -14.197 1.688 1.00 0.00 N ATOM 1531 CA ARG A 99 174.659 -12.867 2.283 1.00 0.00 C ATOM 1532 C ARG A 99 173.235 -12.515 2.699 1.00 0.00 C ATOM 1533 O ARG A 99 172.304 -12.606 1.898 1.00 0.00 O ATOM 1534 CB ARG A 99 175.186 -11.822 1.298 1.00 0.00 C ATOM 1535 CG ARG A 99 174.595 -11.949 -0.098 1.00 0.00 C ATOM 1536 CD ARG A 99 173.878 -10.676 -0.522 1.00 0.00 C ATOM 1537 NE ARG A 99 173.109 -10.865 -1.750 1.00 0.00 N ATOM 1538 CZ ARG A 99 172.118 -10.064 -2.136 1.00 0.00 C ATOM 1539 NH1 ARG A 99 171.773 -9.019 -1.394 1.00 0.00 N ATOM 1540 NH2 ARG A 99 171.470 -10.309 -3.267 1.00 0.00 N ATOM 0 H ARG A 99 174.080 -14.333 0.900 1.00 0.00 H new ATOM 0 HA ARG A 99 175.289 -12.869 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.969 -10.827 1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 99 176.271 -11.910 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 99 175.389 -12.174 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 99 173.897 -12.786 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.211 -10.352 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 99 174.608 -9.881 -0.670 1.00 0.00 H new ATOM 0 HE ARG A 99 173.345 -11.658 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 99 172.268 -8.826 -0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 99 171.013 -8.409 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 99 171.731 -11.111 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 99 170.711 -9.696 -3.563 1.00 0.00 H new ATOM 1554 N GLU A 100 173.071 -12.115 3.956 1.00 0.00 N ATOM 1555 CA GLU A 100 171.758 -11.752 4.476 1.00 0.00 C ATOM 1556 C GLU A 100 171.478 -10.270 4.256 1.00 0.00 C ATOM 1557 O GLU A 100 172.400 -9.467 4.114 1.00 0.00 O ATOM 1558 CB GLU A 100 171.667 -12.082 5.967 1.00 0.00 C ATOM 1559 CG GLU A 100 171.829 -13.562 6.274 1.00 0.00 C ATOM 1560 CD GLU A 100 170.650 -14.388 5.799 1.00 0.00 C ATOM 1561 OE1 GLU A 100 170.613 -14.734 4.600 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.764 -14.688 6.627 1.00 0.00 O ATOM 0 H GLU A 100 173.830 -12.034 4.632 1.00 0.00 H new ATOM 0 HA GLU A 100 171.009 -12.331 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.434 -11.522 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.703 -11.744 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.740 -13.930 5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 100 171.952 -13.695 7.349 1.00 0.00 H new ATOM 1569 N PHE A 101 170.198 -9.916 4.227 1.00 0.00 N ATOM 1570 CA PHE A 101 169.796 -8.530 4.023 1.00 0.00 C ATOM 1571 C PHE A 101 168.480 -8.233 4.734 1.00 0.00 C ATOM 1572 O PHE A 101 167.591 -9.082 4.798 1.00 0.00 O ATOM 1573 CB PHE A 101 169.663 -8.229 2.526 1.00 0.00 C ATOM 1574 CG PHE A 101 168.492 -8.910 1.872 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.201 -8.453 2.085 1.00 0.00 C ATOM 1576 CD2 PHE A 101 168.683 -10.006 1.046 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.123 -9.075 1.487 1.00 0.00 C ATOM 1578 CE2 PHE A 101 167.607 -10.633 0.444 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.326 -10.166 0.666 1.00 0.00 C ATOM 0 H PHE A 101 169.423 -10.569 4.342 1.00 0.00 H new ATOM 0 HA PHE A 101 170.568 -7.888 4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.568 -7.152 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.579 -8.536 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 101 167.036 -7.600 2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 101 169.683 -10.375 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 101 165.122 -8.708 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 101 167.768 -11.486 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.484 -10.654 0.198 1.00 0.00 H new ATOM 1589 N HIS A 102 168.357 -7.016 5.255 1.00 0.00 N ATOM 1590 CA HIS A 102 167.143 -6.602 5.946 1.00 0.00 C ATOM 1591 C HIS A 102 166.774 -5.176 5.545 1.00 0.00 C ATOM 1592 O HIS A 102 167.612 -4.430 5.039 1.00 0.00 O ATOM 1593 CB HIS A 102 167.278 -6.716 7.477 1.00 0.00 C ATOM 1594 CG HIS A 102 168.683 -6.828 8.008 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.064 -6.272 9.213 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.790 -7.449 7.524 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.336 -6.544 9.443 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.798 -7.256 8.435 1.00 0.00 N ATOM 0 H HIS A 102 169.083 -6.301 5.211 1.00 0.00 H new ATOM 0 HA HIS A 102 166.344 -7.279 5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.808 -5.843 7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.715 -7.589 7.808 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.863 -7.994 6.594 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.901 -6.235 10.310 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.752 -7.607 8.346 1.00 0.00 H new ATOM 1607 N VAL A 103 165.513 -4.808 5.752 1.00 0.00 N ATOM 1608 CA VAL A 103 165.052 -3.474 5.381 1.00 0.00 C ATOM 1609 C VAL A 103 163.918 -2.973 6.271 1.00 0.00 C ATOM 1610 O VAL A 103 163.024 -3.731 6.647 1.00 0.00 O ATOM 1611 CB VAL A 103 164.575 -3.449 3.915 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.394 -4.388 3.722 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.216 -2.034 3.482 1.00 0.00 C ATOM 0 H VAL A 103 164.800 -5.406 6.169 1.00 0.00 H new ATOM 0 HA VAL A 103 165.908 -2.812 5.513 1.00 0.00 H new ATOM 0 HB VAL A 103 165.395 -3.794 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 103 163.071 -4.357 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.691 -5.404 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.572 -4.076 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.883 -2.045 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.416 -1.651 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.092 -1.392 3.575 1.00 0.00 H new ATOM 1623 N ILE A 104 163.953 -1.677 6.579 1.00 0.00 N ATOM 1624 CA ILE A 104 162.916 -1.057 7.397 1.00 0.00 C ATOM 1625 C ILE A 104 162.007 -0.182 6.544 1.00 0.00 C ATOM 1626 O ILE A 104 162.479 0.617 5.734 1.00 0.00 O ATOM 1627 CB ILE A 104 163.491 -0.194 8.539 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.819 0.459 8.126 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.648 -1.030 9.798 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.023 -0.454 8.235 1.00 0.00 C ATOM 0 H ILE A 104 164.688 -1.038 6.274 1.00 0.00 H new ATOM 0 HA ILE A 104 162.352 -1.879 7.838 1.00 0.00 H new ATOM 0 HB ILE A 104 162.790 0.613 8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.734 0.808 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.987 1.338 8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 104 164.055 -0.411 10.598 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.676 -1.420 10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.326 -1.860 9.601 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.918 0.085 7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 104 166.138 -0.783 9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.881 -1.322 7.591 1.00 0.00 H new ATOM 1642 N TRP A 105 160.702 -0.333 6.739 1.00 0.00 N ATOM 1643 CA TRP A 105 159.719 0.450 5.995 1.00 0.00 C ATOM 1644 C TRP A 105 158.926 1.355 6.933 1.00 0.00 C ATOM 1645 O TRP A 105 158.720 1.026 8.101 1.00 0.00 O ATOM 1646 CB TRP A 105 158.758 -0.464 5.231 1.00 0.00 C ATOM 1647 CG TRP A 105 159.441 -1.572 4.484 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.545 -2.878 4.867 1.00 0.00 C ATOM 1649 CD2 TRP A 105 160.107 -1.471 3.219 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.233 -3.596 3.917 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.587 -2.754 2.896 1.00 0.00 C ATOM 1652 CE3 TRP A 105 160.343 -0.421 2.328 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 161.286 -3.012 1.718 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 161.033 -0.677 1.162 1.00 0.00 C ATOM 1655 CH2 TRP A 105 161.497 -1.965 0.864 1.00 0.00 C ATOM 0 H TRP A 105 160.299 -0.991 7.406 1.00 0.00 H new ATOM 0 HA TRP A 105 160.262 1.068 5.280 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.047 -0.897 5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.183 0.137 4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.145 -3.288 5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.445 -4.593 3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.990 0.576 2.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.648 -4.003 1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 161.219 0.129 0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 105 162.032 -2.134 -0.059 1.00 0.00 H new ATOM 1666 N LYS A 106 158.481 2.494 6.413 1.00 0.00 N ATOM 1667 CA LYS A 106 157.708 3.443 7.204 1.00 0.00 C ATOM 1668 C LYS A 106 156.296 2.920 7.452 1.00 0.00 C ATOM 1669 O LYS A 106 155.770 2.130 6.667 1.00 0.00 O ATOM 1670 CB LYS A 106 157.644 4.797 6.495 1.00 0.00 C ATOM 1671 CG LYS A 106 157.756 5.984 7.438 1.00 0.00 C ATOM 1672 CD LYS A 106 157.652 7.304 6.690 1.00 0.00 C ATOM 1673 CE LYS A 106 156.292 7.956 6.891 1.00 0.00 C ATOM 1674 NZ LYS A 106 155.723 8.458 5.610 1.00 0.00 N ATOM 0 H LYS A 106 158.643 2.782 5.448 1.00 0.00 H new ATOM 0 HA LYS A 106 158.206 3.567 8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.447 4.851 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.704 4.867 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 106 156.969 5.928 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 106 158.707 5.940 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 106 158.435 7.980 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.821 7.135 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 106 155.606 7.235 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 106 156.386 8.783 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 154.804 8.910 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 156.373 9.152 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 155.593 7.663 4.952 1.00 0.00 H new ATOM 1688 N LYS A 107 155.688 3.365 8.546 1.00 0.00 N ATOM 1689 CA LYS A 107 154.337 2.941 8.896 1.00 0.00 C ATOM 1690 C LYS A 107 153.402 4.141 9.007 1.00 0.00 C ATOM 1691 O LYS A 107 152.467 4.239 8.185 1.00 0.00 O ATOM 1692 CB LYS A 107 154.348 2.164 10.214 1.00 0.00 C ATOM 1693 CG LYS A 107 154.797 2.995 11.405 1.00 0.00 C ATOM 1694 CD LYS A 107 155.226 2.114 12.568 1.00 0.00 C ATOM 1695 CE LYS A 107 155.859 2.932 13.681 1.00 0.00 C ATOM 1696 NZ LYS A 107 157.346 2.924 13.600 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.612 4.971 9.916 1.00 0.00 O ATOM 0 H LYS A 107 156.109 4.019 9.206 1.00 0.00 H new ATOM 0 HA LYS A 107 153.971 2.290 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 107 153.347 1.778 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.008 1.302 10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 107 155.626 3.639 11.110 1.00 0.00 H new ATOM 0 HG3 LYS A 107 153.984 3.648 11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 107 154.361 1.576 12.957 1.00 0.00 H new ATOM 0 HD3 LYS A 107 155.936 1.365 12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 107 155.498 3.959 13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 107 155.546 2.535 14.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 157.739 3.493 14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 157.693 1.947 13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.646 3.327 12.689 1.00 0.00 H new