USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=8 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 179:sc= -0.324 USER MOD Single : A 18 TYR OH : rot 147:sc= 0.258 USER MOD Single : A 24 MET CE :methyl -177:sc= -1.24 (180deg=-1.29) USER MOD Single : A 28 ASN : amide:sc= -7.15! C(o=-7.2!,f=-6.7!) USER MOD Single : A 38 ASN : amide:sc=-0.00612 K(o=-0.0061,f=-1.2) USER MOD Single : A 40 GLN : amide:sc= -6.91! C(o=-6.9!,f=-7.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.775 K(o=-0.78,f=-0.16) USER MOD Single : A 83 MET CE :methyl -111:sc= -2.19 (180deg=-3.13!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -63:sc= 0.578! USER MOD Single : A 94 HIS : no HD1:sc= -8.36! C(o=-8.4!,f=-7.6!) USER MOD Single : A 102 HIS : no HD1:sc= -5.79! K(o=-5.8!,f=-3.8) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0844) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.465 -9.818 1.172 1.00 0.00 N ATOM 81 CA LYS A 6 185.068 -9.186 -0.081 1.00 0.00 C ATOM 82 C LYS A 6 184.049 -8.082 0.168 1.00 0.00 C ATOM 83 O LYS A 6 182.937 -8.339 0.631 1.00 0.00 O ATOM 84 CB LYS A 6 184.488 -10.227 -1.041 1.00 0.00 C ATOM 85 CG LYS A 6 185.508 -11.249 -1.518 1.00 0.00 C ATOM 86 CD LYS A 6 185.628 -12.415 -0.548 1.00 0.00 C ATOM 87 CE LYS A 6 187.072 -12.649 -0.133 1.00 0.00 C ATOM 88 NZ LYS A 6 187.167 -13.446 1.121 1.00 0.00 N ATOM 0 HA LYS A 6 185.955 -8.742 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 6 183.668 -10.748 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.066 -9.716 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 6 185.219 -11.621 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 186.480 -10.768 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 6 185.022 -12.218 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 6 185.231 -13.318 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 6 187.600 -13.167 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 6 187.569 -11.689 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 188.167 -13.584 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 186.685 -12.940 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 186.715 -14.372 0.979 1.00 0.00 H new ATOM 102 N LYS A 7 184.440 -6.852 -0.137 1.00 0.00 N ATOM 103 CA LYS A 7 183.571 -5.701 0.055 1.00 0.00 C ATOM 104 C LYS A 7 182.725 -5.433 -1.186 1.00 0.00 C ATOM 105 O LYS A 7 182.794 -6.171 -2.169 1.00 0.00 O ATOM 106 CB LYS A 7 184.406 -4.470 0.392 1.00 0.00 C ATOM 107 CG LYS A 7 185.462 -4.155 -0.653 1.00 0.00 C ATOM 108 CD LYS A 7 186.813 -3.872 -0.015 1.00 0.00 C ATOM 109 CE LYS A 7 187.361 -2.519 -0.440 1.00 0.00 C ATOM 110 NZ LYS A 7 188.451 -2.053 0.460 1.00 0.00 N ATOM 0 H LYS A 7 185.358 -6.626 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 7 182.897 -5.920 0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 7 183.745 -3.610 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.892 -4.622 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 185.553 -4.994 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.148 -3.292 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 7 186.717 -3.901 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 7 187.519 -4.655 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 7 187.737 -2.584 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 7 186.555 -1.786 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 188.797 -1.127 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 188.087 -1.966 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 189.232 -2.740 0.444 1.00 0.00 H new ATOM 124 N LEU A 8 181.925 -4.372 -1.130 1.00 0.00 N ATOM 125 CA LEU A 8 181.061 -4.001 -2.242 1.00 0.00 C ATOM 126 C LEU A 8 181.222 -2.518 -2.587 1.00 0.00 C ATOM 127 O LEU A 8 181.508 -1.695 -1.717 1.00 0.00 O ATOM 128 CB LEU A 8 179.604 -4.361 -1.905 1.00 0.00 C ATOM 129 CG LEU A 8 178.724 -3.239 -1.343 1.00 0.00 C ATOM 130 CD1 LEU A 8 179.442 -2.452 -0.256 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.265 -2.326 -2.466 1.00 0.00 C ATOM 0 H LEU A 8 181.859 -3.753 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 8 181.352 -4.563 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.131 -4.742 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.615 -5.177 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 8 177.848 -3.694 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 8 178.786 -1.666 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 8 179.708 -3.121 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 8 180.347 -2.005 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.640 -1.532 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 8 179.134 -1.888 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 8 177.691 -2.902 -3.192 1.00 0.00 H new ATOM 143 N ASP A 9 181.052 -2.187 -3.864 1.00 0.00 N ATOM 144 CA ASP A 9 181.191 -0.807 -4.320 1.00 0.00 C ATOM 145 C ASP A 9 179.922 -0.004 -4.035 1.00 0.00 C ATOM 146 O ASP A 9 178.814 -0.472 -4.292 1.00 0.00 O ATOM 147 CB ASP A 9 181.502 -0.773 -5.818 1.00 0.00 C ATOM 148 CG ASP A 9 182.987 -0.877 -6.102 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.499 -2.014 -6.176 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.638 0.178 -6.252 1.00 0.00 O ATOM 0 H ASP A 9 180.818 -2.854 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 9 182.016 -0.353 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 9 180.982 -1.593 -6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.117 0.153 -6.245 1.00 0.00 H new ATOM 155 N PRO A 10 180.064 1.226 -3.503 1.00 0.00 N ATOM 156 CA PRO A 10 178.924 2.091 -3.189 1.00 0.00 C ATOM 157 C PRO A 10 177.910 2.148 -4.326 1.00 0.00 C ATOM 158 O PRO A 10 176.701 2.100 -4.096 1.00 0.00 O ATOM 159 CB PRO A 10 179.558 3.474 -2.958 1.00 0.00 C ATOM 160 CG PRO A 10 181.001 3.333 -3.325 1.00 0.00 C ATOM 161 CD PRO A 10 181.336 1.878 -3.174 1.00 0.00 C ATOM 0 HA PRO A 10 178.366 1.723 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.072 4.233 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.448 3.785 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.176 3.668 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.628 3.945 -2.677 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.135 1.573 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 10 181.665 1.640 -2.163 1.00 0.00 H new ATOM 169 N ASP A 11 178.409 2.245 -5.553 1.00 0.00 N ATOM 170 CA ASP A 11 177.544 2.301 -6.725 1.00 0.00 C ATOM 171 C ASP A 11 176.837 0.966 -6.936 1.00 0.00 C ATOM 172 O ASP A 11 175.745 0.914 -7.502 1.00 0.00 O ATOM 173 CB ASP A 11 178.356 2.666 -7.969 1.00 0.00 C ATOM 174 CG ASP A 11 178.389 4.161 -8.220 1.00 0.00 C ATOM 175 OD1 ASP A 11 178.765 4.910 -7.294 1.00 0.00 O ATOM 176 OD2 ASP A 11 178.037 4.582 -9.341 1.00 0.00 O ATOM 0 H ASP A 11 179.407 2.286 -5.762 1.00 0.00 H new ATOM 0 HA ASP A 11 176.791 3.071 -6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.375 2.297 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 11 177.930 2.164 -8.838 1.00 0.00 H new ATOM 181 N THR A 12 177.467 -0.111 -6.476 1.00 0.00 N ATOM 182 CA THR A 12 176.899 -1.447 -6.612 1.00 0.00 C ATOM 183 C THR A 12 175.796 -1.678 -5.583 1.00 0.00 C ATOM 184 O THR A 12 174.791 -2.325 -5.874 1.00 0.00 O ATOM 185 CB THR A 12 177.991 -2.507 -6.452 1.00 0.00 C ATOM 186 OG1 THR A 12 179.010 -2.328 -7.420 1.00 0.00 O ATOM 187 CG2 THR A 12 177.476 -3.924 -6.585 1.00 0.00 C ATOM 0 H THR A 12 178.372 -0.084 -6.006 1.00 0.00 H new ATOM 0 HA THR A 12 176.464 -1.529 -7.608 1.00 0.00 H new ATOM 0 HB THR A 12 178.377 -2.372 -5.442 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.707 -3.004 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.302 -4.624 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 12 176.723 -4.111 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.031 -4.058 -7.571 1.00 0.00 H new ATOM 195 N ALA A 13 175.990 -1.143 -4.381 1.00 0.00 N ATOM 196 CA ALA A 13 175.007 -1.292 -3.314 1.00 0.00 C ATOM 197 C ALA A 13 173.711 -0.571 -3.665 1.00 0.00 C ATOM 198 O ALA A 13 172.619 -1.110 -3.485 1.00 0.00 O ATOM 199 CB ALA A 13 175.569 -0.768 -2.001 1.00 0.00 C ATOM 0 H ALA A 13 176.817 -0.604 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 13 174.784 -2.353 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 174.824 -0.886 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.466 -1.330 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 13 175.820 0.287 -2.108 1.00 0.00 H new ATOM 205 N ILE A 14 173.840 0.652 -4.169 1.00 0.00 N ATOM 206 CA ILE A 14 172.682 1.449 -4.550 1.00 0.00 C ATOM 207 C ILE A 14 171.942 0.811 -5.724 1.00 0.00 C ATOM 208 O ILE A 14 170.712 0.756 -5.741 1.00 0.00 O ATOM 209 CB ILE A 14 173.100 2.885 -4.932 1.00 0.00 C ATOM 210 CG1 ILE A 14 173.763 3.579 -3.740 1.00 0.00 C ATOM 211 CG2 ILE A 14 171.899 3.684 -5.414 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.490 4.854 -4.110 1.00 0.00 C ATOM 0 H ILE A 14 174.737 1.112 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 14 172.017 1.489 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 14 173.821 2.829 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.002 3.808 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.468 2.890 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.216 4.693 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.467 3.199 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.153 3.734 -4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 14 174.935 5.291 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.274 4.629 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 14 173.785 5.561 -4.547 1.00 0.00 H new ATOM 224 N ASP A 15 172.702 0.332 -6.701 1.00 0.00 N ATOM 225 CA ASP A 15 172.126 -0.302 -7.882 1.00 0.00 C ATOM 226 C ASP A 15 171.282 -1.515 -7.499 1.00 0.00 C ATOM 227 O ASP A 15 170.103 -1.599 -7.849 1.00 0.00 O ATOM 228 CB ASP A 15 173.233 -0.722 -8.851 1.00 0.00 C ATOM 229 CG ASP A 15 172.877 -0.434 -10.296 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.289 0.636 -10.560 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.188 -1.277 -11.164 1.00 0.00 O ATOM 0 H ASP A 15 173.721 0.370 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 15 171.478 0.425 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.154 -0.198 -8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.430 -1.788 -8.734 1.00 0.00 H new ATOM 236 N ILE A 16 171.889 -2.452 -6.775 1.00 0.00 N ATOM 237 CA ILE A 16 171.185 -3.655 -6.348 1.00 0.00 C ATOM 238 C ILE A 16 170.053 -3.314 -5.387 1.00 0.00 C ATOM 239 O ILE A 16 168.954 -3.859 -5.491 1.00 0.00 O ATOM 240 CB ILE A 16 172.135 -4.669 -5.678 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.011 -3.982 -4.627 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.996 -5.356 -6.728 1.00 0.00 C ATOM 243 CD1 ILE A 16 172.680 -4.388 -3.207 1.00 0.00 C ATOM 0 H ILE A 16 172.862 -2.401 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 16 170.771 -4.111 -7.247 1.00 0.00 H new ATOM 0 HB ILE A 16 171.533 -5.424 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.057 -4.215 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 16 172.900 -2.902 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 16 173.662 -6.069 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 16 172.356 -5.882 -7.436 1.00 0.00 H new ATOM 0 HG23 ILE A 16 173.588 -4.610 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.339 -3.863 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 16 171.644 -4.130 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 16 172.818 -5.463 -3.094 1.00 0.00 H new ATOM 255 N ALA A 17 170.319 -2.398 -4.459 1.00 0.00 N ATOM 256 CA ALA A 17 169.312 -1.980 -3.493 1.00 0.00 C ATOM 257 C ALA A 17 168.106 -1.385 -4.210 1.00 0.00 C ATOM 258 O ALA A 17 166.960 -1.625 -3.828 1.00 0.00 O ATOM 259 CB ALA A 17 169.899 -0.975 -2.513 1.00 0.00 C ATOM 0 H ALA A 17 171.221 -1.933 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 17 168.985 -2.855 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.133 -0.673 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.733 -1.431 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.252 -0.099 -3.058 1.00 0.00 H new ATOM 265 N TYR A 18 168.377 -0.619 -5.263 1.00 0.00 N ATOM 266 CA TYR A 18 167.320 0.000 -6.051 1.00 0.00 C ATOM 267 C TYR A 18 166.379 -1.067 -6.594 1.00 0.00 C ATOM 268 O TYR A 18 165.158 -0.949 -6.486 1.00 0.00 O ATOM 269 CB TYR A 18 167.921 0.808 -7.203 1.00 0.00 C ATOM 270 CG TYR A 18 166.957 1.792 -7.826 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.083 1.395 -8.831 1.00 0.00 C ATOM 272 CD2 TYR A 18 166.923 3.117 -7.412 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.202 2.292 -9.404 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.044 4.020 -7.981 1.00 0.00 C ATOM 275 CZ TYR A 18 165.186 3.603 -8.976 1.00 0.00 C ATOM 276 OH TYR A 18 164.311 4.499 -9.546 1.00 0.00 O ATOM 0 H TYR A 18 169.321 -0.413 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 18 166.754 0.675 -5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.793 1.350 -6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.272 0.120 -7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.093 0.369 -9.169 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.594 3.448 -6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.529 1.968 -10.184 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.030 5.047 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 18 164.030 5.155 -8.874 1.00 0.00 H new ATOM 286 N ASP A 19 166.959 -2.116 -7.172 1.00 0.00 N ATOM 287 CA ASP A 19 166.175 -3.214 -7.725 1.00 0.00 C ATOM 288 C ASP A 19 165.248 -3.802 -6.664 1.00 0.00 C ATOM 289 O ASP A 19 164.126 -4.216 -6.964 1.00 0.00 O ATOM 290 CB ASP A 19 167.100 -4.303 -8.275 1.00 0.00 C ATOM 291 CG ASP A 19 167.182 -4.279 -9.789 1.00 0.00 C ATOM 292 OD1 ASP A 19 167.290 -3.173 -10.359 1.00 0.00 O ATOM 293 OD2 ASP A 19 167.138 -5.365 -10.403 1.00 0.00 O ATOM 0 H ASP A 19 167.968 -2.228 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 19 165.566 -2.823 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.098 -4.173 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 19 166.742 -5.279 -7.948 1.00 0.00 H new ATOM 298 N ILE A 20 165.718 -3.824 -5.419 1.00 0.00 N ATOM 299 CA ILE A 20 164.921 -4.350 -4.318 1.00 0.00 C ATOM 300 C ILE A 20 163.658 -3.519 -4.131 1.00 0.00 C ATOM 301 O ILE A 20 162.565 -3.960 -4.477 1.00 0.00 O ATOM 302 CB ILE A 20 165.719 -4.379 -2.998 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.034 -5.137 -3.188 1.00 0.00 C ATOM 304 CG2 ILE A 20 164.893 -5.017 -1.891 1.00 0.00 C ATOM 305 CD1 ILE A 20 167.887 -5.191 -1.940 1.00 0.00 C ATOM 0 H ILE A 20 166.642 -3.485 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 20 164.650 -5.374 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 20 165.949 -3.353 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.814 -6.154 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.604 -4.664 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.471 -5.029 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 20 163.980 -4.441 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.636 -6.038 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 20 168.803 -5.744 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.138 -4.178 -1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.336 -5.691 -1.144 1.00 0.00 H new ATOM 317 N PHE A 21 163.812 -2.313 -3.587 1.00 0.00 N ATOM 318 CA PHE A 21 162.678 -1.415 -3.359 1.00 0.00 C ATOM 319 C PHE A 21 161.720 -1.413 -4.551 1.00 0.00 C ATOM 320 O PHE A 21 160.518 -1.196 -4.395 1.00 0.00 O ATOM 321 CB PHE A 21 163.185 0.005 -3.093 1.00 0.00 C ATOM 322 CG PHE A 21 162.092 1.012 -2.871 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.285 0.942 -1.747 1.00 0.00 C ATOM 324 CD2 PHE A 21 161.876 2.031 -3.785 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.281 1.869 -1.540 1.00 0.00 C ATOM 326 CE2 PHE A 21 160.873 2.961 -3.583 1.00 0.00 C ATOM 327 CZ PHE A 21 160.075 2.880 -2.459 1.00 0.00 C ATOM 0 H PHE A 21 164.713 -1.933 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 21 162.130 -1.776 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 21 163.835 -0.010 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 21 163.795 0.326 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.442 0.155 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 21 162.498 2.099 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.658 1.803 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 21 160.714 3.750 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.291 3.606 -2.299 1.00 0.00 H new ATOM 337 N LEU A 22 162.262 -1.654 -5.740 1.00 0.00 N ATOM 338 CA LEU A 22 161.463 -1.679 -6.958 1.00 0.00 C ATOM 339 C LEU A 22 160.451 -2.824 -6.940 1.00 0.00 C ATOM 340 O LEU A 22 159.288 -2.638 -7.301 1.00 0.00 O ATOM 341 CB LEU A 22 162.378 -1.810 -8.182 1.00 0.00 C ATOM 342 CG LEU A 22 162.160 -0.768 -9.283 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.155 0.639 -8.700 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.234 -0.899 -10.352 1.00 0.00 C ATOM 0 H LEU A 22 163.255 -1.835 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 22 160.909 -0.742 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.414 -1.749 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 22 162.240 -2.802 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 22 161.188 -0.949 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.999 1.363 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.352 0.727 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.111 0.835 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.067 -0.153 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.215 -0.743 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.190 -1.896 -10.791 1.00 0.00 H new ATOM 356 N GLU A 23 160.898 -4.012 -6.538 1.00 0.00 N ATOM 357 CA GLU A 23 160.023 -5.181 -6.500 1.00 0.00 C ATOM 358 C GLU A 23 159.573 -5.521 -5.078 1.00 0.00 C ATOM 359 O GLU A 23 158.498 -6.087 -4.880 1.00 0.00 O ATOM 360 CB GLU A 23 160.735 -6.383 -7.124 1.00 0.00 C ATOM 361 CG GLU A 23 161.920 -6.887 -6.314 1.00 0.00 C ATOM 362 CD GLU A 23 162.058 -8.396 -6.363 1.00 0.00 C ATOM 363 OE1 GLU A 23 161.857 -8.976 -7.450 1.00 0.00 O ATOM 364 OE2 GLU A 23 162.367 -8.998 -5.313 1.00 0.00 O ATOM 0 H GLU A 23 161.856 -4.190 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 23 159.129 -4.940 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.018 -7.195 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 23 161.079 -6.111 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.835 -6.429 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.809 -6.569 -5.277 1.00 0.00 H new ATOM 371 N MET A 24 160.399 -5.184 -4.094 1.00 0.00 N ATOM 372 CA MET A 24 160.080 -5.467 -2.698 1.00 0.00 C ATOM 373 C MET A 24 158.969 -4.554 -2.190 1.00 0.00 C ATOM 374 O MET A 24 157.963 -5.022 -1.657 1.00 0.00 O ATOM 375 CB MET A 24 161.330 -5.307 -1.828 1.00 0.00 C ATOM 376 CG MET A 24 161.923 -6.629 -1.367 1.00 0.00 C ATOM 377 SD MET A 24 162.515 -6.569 0.335 1.00 0.00 S ATOM 378 CE MET A 24 160.969 -6.430 1.228 1.00 0.00 C ATOM 0 H MET A 24 161.294 -4.715 -4.236 1.00 0.00 H new ATOM 0 HA MET A 24 159.728 -6.497 -2.635 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.085 -4.755 -2.389 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.080 -4.706 -0.954 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.170 -7.412 -1.458 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.748 -6.902 -2.025 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.172 -6.329 2.294 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.424 -5.553 0.878 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.368 -7.323 1.057 1.00 0.00 H new ATOM 388 N ALA A 25 159.161 -3.249 -2.352 1.00 0.00 N ATOM 389 CA ALA A 25 158.176 -2.269 -1.904 1.00 0.00 C ATOM 390 C ALA A 25 156.797 -2.558 -2.488 1.00 0.00 C ATOM 391 O ALA A 25 156.669 -2.888 -3.667 1.00 0.00 O ATOM 392 CB ALA A 25 158.624 -0.865 -2.279 1.00 0.00 C ATOM 0 H ALA A 25 159.989 -2.845 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 25 158.101 -2.341 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.881 -0.143 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.582 -0.650 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.731 -0.794 -3.361 1.00 0.00 H new ATOM 398 N GLY A 26 155.767 -2.430 -1.656 1.00 0.00 N ATOM 399 CA GLY A 26 154.412 -2.680 -2.113 1.00 0.00 C ATOM 400 C GLY A 26 153.434 -2.894 -0.972 1.00 0.00 C ATOM 401 O GLY A 26 152.767 -1.957 -0.533 1.00 0.00 O ATOM 0 H GLY A 26 155.847 -2.158 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.077 -1.838 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.408 -3.559 -2.758 1.00 0.00 H new ATOM 405 N GLU A 27 153.344 -4.132 -0.496 1.00 0.00 N ATOM 406 CA GLU A 27 152.433 -4.469 0.595 1.00 0.00 C ATOM 407 C GLU A 27 153.121 -4.373 1.957 1.00 0.00 C ATOM 408 O GLU A 27 152.521 -4.690 2.984 1.00 0.00 O ATOM 409 CB GLU A 27 151.872 -5.878 0.397 1.00 0.00 C ATOM 410 CG GLU A 27 152.927 -6.970 0.478 1.00 0.00 C ATOM 411 CD GLU A 27 152.711 -8.066 -0.547 1.00 0.00 C ATOM 412 OE1 GLU A 27 152.756 -7.764 -1.758 1.00 0.00 O ATOM 413 OE2 GLU A 27 152.497 -9.227 -0.139 1.00 0.00 O ATOM 0 H GLU A 27 153.890 -4.919 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 27 151.618 -3.745 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 27 151.108 -6.065 1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 27 151.380 -5.931 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 153.913 -6.529 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 27 152.918 -7.405 1.477 1.00 0.00 H new ATOM 420 N ASN A 28 154.379 -3.940 1.965 1.00 0.00 N ATOM 421 CA ASN A 28 155.132 -3.814 3.209 1.00 0.00 C ATOM 422 C ASN A 28 155.001 -2.410 3.796 1.00 0.00 C ATOM 423 O ASN A 28 154.828 -2.246 5.003 1.00 0.00 O ATOM 424 CB ASN A 28 156.608 -4.146 2.976 1.00 0.00 C ATOM 425 CG ASN A 28 157.161 -3.491 1.725 1.00 0.00 C ATOM 426 OD1 ASN A 28 157.298 -4.133 0.683 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.480 -2.207 1.822 1.00 0.00 N ATOM 0 H ASN A 28 154.896 -3.672 1.128 1.00 0.00 H new ATOM 0 HA ASN A 28 154.714 -4.524 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.190 -3.823 3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 28 156.726 -5.227 2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.856 -1.712 1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.350 -1.714 2.706 1.00 0.00 H new ATOM 434 N LEU A 29 155.086 -1.402 2.934 1.00 0.00 N ATOM 435 CA LEU A 29 154.979 -0.013 3.368 1.00 0.00 C ATOM 436 C LEU A 29 153.560 0.507 3.164 1.00 0.00 C ATOM 437 O LEU A 29 152.826 0.015 2.306 1.00 0.00 O ATOM 438 CB LEU A 29 155.971 0.860 2.593 1.00 0.00 C ATOM 439 CG LEU A 29 156.439 2.130 3.314 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.724 2.653 2.690 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.356 3.199 3.284 1.00 0.00 C ATOM 0 H LEU A 29 155.229 -1.521 1.931 1.00 0.00 H new ATOM 0 HA LEU A 29 155.217 0.034 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.846 0.257 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.512 1.149 1.647 1.00 0.00 H new ATOM 0 HG LEU A 29 156.638 1.878 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.042 3.555 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.502 1.894 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.550 2.886 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.710 4.091 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.120 3.449 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.461 2.824 3.780 1.00 0.00 H new ATOM 453 N ASP A 30 153.180 1.508 3.953 1.00 0.00 N ATOM 454 CA ASP A 30 151.850 2.100 3.854 1.00 0.00 C ATOM 455 C ASP A 30 151.520 2.458 2.404 1.00 0.00 C ATOM 456 O ASP A 30 152.412 2.767 1.615 1.00 0.00 O ATOM 457 CB ASP A 30 151.758 3.347 4.738 1.00 0.00 C ATOM 458 CG ASP A 30 150.654 3.244 5.773 1.00 0.00 C ATOM 459 OD1 ASP A 30 150.445 2.135 6.309 1.00 0.00 O ATOM 460 OD2 ASP A 30 149.999 4.271 6.046 1.00 0.00 O ATOM 0 H ASP A 30 153.775 1.926 4.668 1.00 0.00 H new ATOM 0 HA ASP A 30 151.123 1.365 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 30 152.712 3.502 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.583 4.221 4.111 1.00 0.00 H new ATOM 465 N PRO A 31 150.229 2.416 2.032 1.00 0.00 N ATOM 466 CA PRO A 31 149.786 2.733 0.671 1.00 0.00 C ATOM 467 C PRO A 31 150.281 4.096 0.198 1.00 0.00 C ATOM 468 O PRO A 31 150.419 4.334 -1.001 1.00 0.00 O ATOM 469 CB PRO A 31 148.252 2.722 0.766 1.00 0.00 C ATOM 470 CG PRO A 31 147.938 2.720 2.224 1.00 0.00 C ATOM 471 CD PRO A 31 149.100 2.057 2.901 1.00 0.00 C ATOM 0 HA PRO A 31 150.181 2.020 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 31 147.823 3.595 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.836 1.843 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.800 3.736 2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.012 2.180 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.239 2.424 3.918 1.00 0.00 H new ATOM 0 HD3 PRO A 31 148.968 0.977 2.967 1.00 0.00 H new ATOM 479 N ALA A 32 150.539 4.993 1.144 1.00 0.00 N ATOM 480 CA ALA A 32 151.010 6.335 0.818 1.00 0.00 C ATOM 481 C ALA A 32 152.239 6.296 -0.086 1.00 0.00 C ATOM 482 O ALA A 32 152.216 6.819 -1.200 1.00 0.00 O ATOM 483 CB ALA A 32 151.317 7.108 2.092 1.00 0.00 C ATOM 0 H ALA A 32 150.430 4.815 2.142 1.00 0.00 H new ATOM 0 HA ALA A 32 150.214 6.843 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 151.668 8.108 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 32 150.414 7.184 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 32 152.090 6.586 2.657 1.00 0.00 H new ATOM 489 N ASP A 33 153.312 5.681 0.401 1.00 0.00 N ATOM 490 CA ASP A 33 154.551 5.586 -0.365 1.00 0.00 C ATOM 491 C ASP A 33 154.330 4.887 -1.700 1.00 0.00 C ATOM 492 O ASP A 33 155.029 5.162 -2.674 1.00 0.00 O ATOM 493 CB ASP A 33 155.619 4.844 0.436 1.00 0.00 C ATOM 494 CG ASP A 33 156.959 4.815 -0.274 1.00 0.00 C ATOM 495 OD1 ASP A 33 157.184 5.674 -1.152 1.00 0.00 O ATOM 496 OD2 ASP A 33 157.783 3.933 0.048 1.00 0.00 O ATOM 0 H ASP A 33 153.349 5.242 1.321 1.00 0.00 H new ATOM 0 HA ASP A 33 154.891 6.602 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 33 155.737 5.321 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.287 3.822 0.620 1.00 0.00 H new ATOM 501 N ILE A 34 153.350 3.990 -1.749 1.00 0.00 N ATOM 502 CA ILE A 34 153.048 3.272 -2.980 1.00 0.00 C ATOM 503 C ILE A 34 152.638 4.252 -4.073 1.00 0.00 C ATOM 504 O ILE A 34 153.138 4.193 -5.196 1.00 0.00 O ATOM 505 CB ILE A 34 151.927 2.230 -2.769 1.00 0.00 C ATOM 506 CG1 ILE A 34 152.396 1.140 -1.803 1.00 0.00 C ATOM 507 CG2 ILE A 34 151.502 1.619 -4.096 1.00 0.00 C ATOM 508 CD1 ILE A 34 151.284 0.225 -1.338 1.00 0.00 C ATOM 0 H ILE A 34 152.756 3.745 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 34 153.951 2.743 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 34 151.063 2.734 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.168 0.543 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 34 152.856 1.610 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 34 150.712 0.888 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 34 151.133 2.404 -4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 34 152.357 1.127 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 34 151.689 -0.523 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 34 150.522 0.811 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 34 150.838 -0.273 -2.199 1.00 0.00 H new ATOM 520 N LEU A 35 151.732 5.159 -3.728 1.00 0.00 N ATOM 521 CA LEU A 35 151.261 6.165 -4.670 1.00 0.00 C ATOM 522 C LEU A 35 152.373 7.160 -4.987 1.00 0.00 C ATOM 523 O LEU A 35 152.628 7.470 -6.149 1.00 0.00 O ATOM 524 CB LEU A 35 150.045 6.899 -4.098 1.00 0.00 C ATOM 525 CG LEU A 35 149.567 8.102 -4.918 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.164 7.864 -5.456 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.609 9.371 -4.078 1.00 0.00 C ATOM 0 H LEU A 35 151.309 5.218 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 35 150.968 5.664 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.222 6.190 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.286 7.238 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 35 150.241 8.227 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.845 8.730 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.164 6.981 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.477 7.710 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.266 10.215 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.960 9.254 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.631 9.553 -3.745 1.00 0.00 H new ATOM 539 N LEU A 36 153.041 7.646 -3.945 1.00 0.00 N ATOM 540 CA LEU A 36 154.135 8.597 -4.115 1.00 0.00 C ATOM 541 C LEU A 36 155.249 7.982 -4.955 1.00 0.00 C ATOM 542 O LEU A 36 155.601 8.499 -6.015 1.00 0.00 O ATOM 543 CB LEU A 36 154.687 9.023 -2.752 1.00 0.00 C ATOM 544 CG LEU A 36 153.878 10.103 -2.031 1.00 0.00 C ATOM 545 CD1 LEU A 36 152.739 9.481 -1.241 1.00 0.00 C ATOM 546 CD2 LEU A 36 154.779 10.920 -1.118 1.00 0.00 C ATOM 0 H LEU A 36 152.844 7.398 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 36 153.748 9.476 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.743 8.144 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.706 9.385 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 36 153.450 10.770 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 36 152.176 10.266 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 36 152.079 8.940 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 36 153.144 8.791 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 36 154.188 11.684 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.236 10.265 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 155.560 11.398 -1.710 1.00 0.00 H new ATOM 558 N PHE A 37 155.793 6.868 -4.470 1.00 0.00 N ATOM 559 CA PHE A 37 156.866 6.154 -5.159 1.00 0.00 C ATOM 560 C PHE A 37 156.607 6.081 -6.666 1.00 0.00 C ATOM 561 O PHE A 37 157.544 6.054 -7.465 1.00 0.00 O ATOM 562 CB PHE A 37 157.000 4.743 -4.570 1.00 0.00 C ATOM 563 CG PHE A 37 157.806 3.792 -5.410 1.00 0.00 C ATOM 564 CD1 PHE A 37 158.973 4.207 -6.028 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.392 2.480 -5.578 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.714 3.332 -6.799 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.128 1.600 -6.348 1.00 0.00 C ATOM 568 CZ PHE A 37 159.290 2.027 -6.959 1.00 0.00 C ATOM 0 H PHE A 37 155.504 6.436 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 37 157.798 6.700 -5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.459 4.816 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.003 4.326 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.308 5.226 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.484 2.142 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.623 3.668 -7.276 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.795 0.580 -6.472 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.867 1.341 -7.562 1.00 0.00 H new ATOM 578 N ASN A 38 155.334 6.049 -7.045 1.00 0.00 N ATOM 579 CA ASN A 38 154.957 5.978 -8.451 1.00 0.00 C ATOM 580 C ASN A 38 155.109 7.336 -9.134 1.00 0.00 C ATOM 581 O ASN A 38 155.726 7.440 -10.194 1.00 0.00 O ATOM 582 CB ASN A 38 153.515 5.485 -8.590 1.00 0.00 C ATOM 583 CG ASN A 38 153.379 4.005 -8.291 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.359 3.331 -7.973 1.00 0.00 O ATOM 585 ND2 ASN A 38 152.159 3.490 -8.392 1.00 0.00 N ATOM 0 H ASN A 38 154.546 6.071 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 38 155.627 5.272 -8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.874 6.050 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.162 5.682 -9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.006 2.499 -8.203 1.00 0.00 H new ATOM 0 HD22 ASN A 38 151.375 4.085 -8.659 1.00 0.00 H new ATOM 592 N LEU A 39 154.537 8.372 -8.527 1.00 0.00 N ATOM 593 CA LEU A 39 154.608 9.718 -9.089 1.00 0.00 C ATOM 594 C LEU A 39 155.912 10.415 -8.715 1.00 0.00 C ATOM 595 O LEU A 39 156.715 10.756 -9.583 1.00 0.00 O ATOM 596 CB LEU A 39 153.420 10.560 -8.613 1.00 0.00 C ATOM 597 CG LEU A 39 152.038 10.055 -9.041 1.00 0.00 C ATOM 598 CD1 LEU A 39 152.071 9.513 -10.463 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.540 8.994 -8.074 1.00 0.00 C ATOM 0 H LEU A 39 154.021 8.306 -7.650 1.00 0.00 H new ATOM 0 HA LEU A 39 154.572 9.620 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.447 10.612 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.546 11.577 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 39 151.346 10.897 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 151.078 9.161 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.381 10.303 -11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.778 8.686 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.557 8.645 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.237 8.156 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.468 9.419 -7.073 1.00 0.00 H new ATOM 611 N GLN A 40 156.111 10.639 -7.419 1.00 0.00 N ATOM 612 CA GLN A 40 157.312 11.312 -6.939 1.00 0.00 C ATOM 613 C GLN A 40 158.426 10.320 -6.627 1.00 0.00 C ATOM 614 O GLN A 40 158.521 9.797 -5.517 1.00 0.00 O ATOM 615 CB GLN A 40 156.998 12.155 -5.700 1.00 0.00 C ATOM 616 CG GLN A 40 156.293 11.387 -4.594 1.00 0.00 C ATOM 617 CD GLN A 40 155.007 12.055 -4.150 1.00 0.00 C ATOM 618 OE1 GLN A 40 154.987 12.804 -3.173 1.00 0.00 O ATOM 619 NE2 GLN A 40 153.922 11.786 -4.867 1.00 0.00 N ATOM 0 H GLN A 40 155.458 10.365 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 40 157.659 11.967 -7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.928 12.566 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 40 156.376 13.000 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 40 156.073 10.377 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.963 11.291 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 40 153.983 11.159 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 40 153.027 12.206 -4.615 1.00 0.00 H new ATOM 628 N PHE A 41 159.275 10.086 -7.617 1.00 0.00 N ATOM 629 CA PHE A 41 160.410 9.178 -7.473 1.00 0.00 C ATOM 630 C PHE A 41 161.415 9.401 -8.598 1.00 0.00 C ATOM 631 O PHE A 41 162.625 9.329 -8.389 1.00 0.00 O ATOM 632 CB PHE A 41 159.955 7.719 -7.458 1.00 0.00 C ATOM 633 CG PHE A 41 160.961 6.800 -6.823 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.176 6.828 -5.454 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.698 5.915 -7.595 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.106 5.991 -4.866 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.629 5.075 -7.012 1.00 0.00 C ATOM 638 CZ PHE A 41 162.833 5.114 -5.646 1.00 0.00 C ATOM 0 H PHE A 41 159.200 10.516 -8.539 1.00 0.00 H new ATOM 0 HA PHE A 41 160.890 9.394 -6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.010 7.644 -6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.766 7.392 -8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 41 160.610 7.512 -4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.543 5.881 -8.663 1.00 0.00 H new ATOM 0 HE1 PHE A 41 162.264 6.023 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.196 4.389 -7.624 1.00 0.00 H new ATOM 0 HZ PHE A 41 163.560 4.459 -5.189 1.00 0.00 H new ATOM 648 N GLU A 42 160.904 9.678 -9.794 1.00 0.00 N ATOM 649 CA GLU A 42 161.758 9.923 -10.950 1.00 0.00 C ATOM 650 C GLU A 42 162.855 10.927 -10.601 1.00 0.00 C ATOM 651 O GLU A 42 164.042 10.605 -10.646 1.00 0.00 O ATOM 652 CB GLU A 42 160.927 10.443 -12.126 1.00 0.00 C ATOM 653 CG GLU A 42 161.747 10.716 -13.376 1.00 0.00 C ATOM 654 CD GLU A 42 160.890 10.837 -14.621 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.800 11.441 -14.536 1.00 0.00 O ATOM 656 OE2 GLU A 42 161.308 10.326 -15.682 1.00 0.00 O ATOM 0 H GLU A 42 159.904 9.738 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 42 162.224 8.981 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.151 9.715 -12.362 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.422 11.361 -11.825 1.00 0.00 H new ATOM 0 HG2 GLU A 42 162.315 11.636 -13.240 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.470 9.912 -13.514 1.00 0.00 H new ATOM 663 N GLU A 43 162.447 12.144 -10.253 1.00 0.00 N ATOM 664 CA GLU A 43 163.393 13.195 -9.895 1.00 0.00 C ATOM 665 C GLU A 43 163.462 13.396 -8.380 1.00 0.00 C ATOM 666 O GLU A 43 164.391 14.026 -7.875 1.00 0.00 O ATOM 667 CB GLU A 43 163.002 14.509 -10.575 1.00 0.00 C ATOM 668 CG GLU A 43 164.191 15.316 -11.070 1.00 0.00 C ATOM 669 CD GLU A 43 163.867 16.130 -12.307 1.00 0.00 C ATOM 670 OE1 GLU A 43 162.998 17.023 -12.220 1.00 0.00 O ATOM 671 OE2 GLU A 43 164.483 15.875 -13.363 1.00 0.00 O ATOM 0 H GLU A 43 161.468 12.426 -10.211 1.00 0.00 H new ATOM 0 HA GLU A 43 164.379 12.885 -10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 43 162.346 14.291 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 43 162.429 15.115 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 43 164.527 15.984 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 165.018 14.641 -11.290 1.00 0.00 H new ATOM 678 N ARG A 44 162.479 12.862 -7.656 1.00 0.00 N ATOM 679 CA ARG A 44 162.444 12.994 -6.203 1.00 0.00 C ATOM 680 C ARG A 44 162.893 11.705 -5.515 1.00 0.00 C ATOM 681 O ARG A 44 163.023 11.659 -4.292 1.00 0.00 O ATOM 682 CB ARG A 44 161.034 13.366 -5.740 1.00 0.00 C ATOM 683 CG ARG A 44 160.493 14.629 -6.391 1.00 0.00 C ATOM 684 CD ARG A 44 161.257 15.861 -5.936 1.00 0.00 C ATOM 685 NE ARG A 44 161.146 16.959 -6.893 1.00 0.00 N ATOM 686 CZ ARG A 44 161.975 18.001 -6.926 1.00 0.00 C ATOM 687 NH1 ARG A 44 162.974 18.090 -6.057 1.00 0.00 N ATOM 688 NH2 ARG A 44 161.804 18.955 -7.830 1.00 0.00 N ATOM 0 H ARG A 44 161.700 12.336 -8.052 1.00 0.00 H new ATOM 0 HA ARG A 44 163.138 13.787 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.359 12.538 -5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.039 13.498 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.560 14.538 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 44 159.437 14.743 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.878 16.185 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 44 162.308 15.605 -5.798 1.00 0.00 H new ATOM 0 HE ARG A 44 160.389 16.926 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 44 163.110 17.358 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 44 163.606 18.890 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 44 161.038 18.891 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 44 162.439 19.753 -7.856 1.00 0.00 H new ATOM 702 N GLY A 45 163.129 10.661 -6.304 1.00 0.00 N ATOM 703 CA GLY A 45 163.560 9.392 -5.748 1.00 0.00 C ATOM 704 C GLY A 45 165.068 9.275 -5.680 1.00 0.00 C ATOM 705 O GLY A 45 165.765 9.572 -6.651 1.00 0.00 O ATOM 0 H GLY A 45 163.029 10.672 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.144 9.277 -4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.162 8.579 -6.355 1.00 0.00 H new ATOM 709 N GLY A 46 165.575 8.840 -4.532 1.00 0.00 N ATOM 710 CA GLY A 46 167.008 8.691 -4.365 1.00 0.00 C ATOM 711 C GLY A 46 167.363 7.587 -3.391 1.00 0.00 C ATOM 712 O GLY A 46 166.651 7.358 -2.414 1.00 0.00 O ATOM 0 H GLY A 46 165.019 8.588 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.464 8.479 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.430 9.632 -4.013 1.00 0.00 H new ATOM 716 N VAL A 47 168.467 6.900 -3.659 1.00 0.00 N ATOM 717 CA VAL A 47 168.917 5.814 -2.799 1.00 0.00 C ATOM 718 C VAL A 47 170.395 5.965 -2.456 1.00 0.00 C ATOM 719 O VAL A 47 171.267 5.569 -3.229 1.00 0.00 O ATOM 720 CB VAL A 47 168.686 4.442 -3.462 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.016 3.316 -2.494 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.252 4.326 -3.958 1.00 0.00 C ATOM 0 H VAL A 47 169.067 7.076 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 47 168.329 5.866 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 47 169.353 4.357 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 47 168.846 2.356 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.061 3.390 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.378 3.394 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.106 3.351 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.566 4.433 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.055 5.110 -4.689 1.00 0.00 H new ATOM 732 N GLU A 48 170.668 6.546 -1.292 1.00 0.00 N ATOM 733 CA GLU A 48 172.040 6.756 -0.845 1.00 0.00 C ATOM 734 C GLU A 48 172.588 5.508 -0.161 1.00 0.00 C ATOM 735 O GLU A 48 171.833 4.608 0.208 1.00 0.00 O ATOM 736 CB GLU A 48 172.110 7.949 0.111 1.00 0.00 C ATOM 737 CG GLU A 48 171.264 7.778 1.361 1.00 0.00 C ATOM 738 CD GLU A 48 171.879 8.446 2.575 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.013 8.076 2.946 1.00 0.00 O ATOM 740 OE2 GLU A 48 171.226 9.339 3.156 1.00 0.00 O ATOM 0 H GLU A 48 169.957 6.880 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 48 172.653 6.965 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.148 8.109 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.786 8.846 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.272 8.195 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.132 6.715 1.563 1.00 0.00 H new ATOM 747 N PHE A 49 173.907 5.459 0.001 1.00 0.00 N ATOM 748 CA PHE A 49 174.557 4.318 0.637 1.00 0.00 C ATOM 749 C PHE A 49 175.202 4.722 1.960 1.00 0.00 C ATOM 750 O PHE A 49 175.860 5.758 2.052 1.00 0.00 O ATOM 751 CB PHE A 49 175.613 3.725 -0.296 1.00 0.00 C ATOM 752 CG PHE A 49 176.292 2.508 0.263 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.550 1.413 0.673 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.672 2.460 0.377 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.172 0.291 1.188 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.299 1.342 0.891 1.00 0.00 C ATOM 757 CZ PHE A 49 177.548 0.256 1.297 1.00 0.00 C ATOM 0 H PHE A 49 174.546 6.195 -0.299 1.00 0.00 H new ATOM 0 HA PHE A 49 173.795 3.566 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.143 3.465 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.365 4.485 -0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.473 1.436 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.264 3.306 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.583 -0.557 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.375 1.317 0.975 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.036 -0.619 1.699 1.00 0.00 H new ATOM 767 N VAL A 50 175.011 3.891 2.979 1.00 0.00 N ATOM 768 CA VAL A 50 175.577 4.150 4.298 1.00 0.00 C ATOM 769 C VAL A 50 176.267 2.903 4.845 1.00 0.00 C ATOM 770 O VAL A 50 176.378 1.891 4.150 1.00 0.00 O ATOM 771 CB VAL A 50 174.493 4.612 5.294 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.074 6.046 5.005 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.294 3.681 5.244 1.00 0.00 C ATOM 0 H VAL A 50 174.467 3.030 2.916 1.00 0.00 H new ATOM 0 HA VAL A 50 176.310 4.948 4.184 1.00 0.00 H new ATOM 0 HB VAL A 50 174.912 4.577 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.309 6.352 5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.939 6.703 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.674 6.111 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.539 4.022 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.874 3.682 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.607 2.670 5.505 1.00 0.00 H new ATOM 783 N GLU A 51 176.724 2.973 6.092 1.00 0.00 N ATOM 784 CA GLU A 51 177.398 1.842 6.721 1.00 0.00 C ATOM 785 C GLU A 51 176.639 1.378 7.959 1.00 0.00 C ATOM 786 O GLU A 51 175.758 2.079 8.458 1.00 0.00 O ATOM 787 CB GLU A 51 178.831 2.220 7.099 1.00 0.00 C ATOM 788 CG GLU A 51 179.789 2.228 5.919 1.00 0.00 C ATOM 789 CD GLU A 51 180.439 3.581 5.702 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.371 3.920 6.462 1.00 0.00 O ATOM 791 OE2 GLU A 51 180.016 4.301 4.774 1.00 0.00 O ATOM 0 H GLU A 51 176.640 3.798 6.685 1.00 0.00 H new ATOM 0 HA GLU A 51 177.424 1.022 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.828 3.207 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.197 1.519 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 51 180.564 1.479 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.250 1.940 5.017 1.00 0.00 H new ATOM 798 N THR A 52 176.985 0.192 8.451 1.00 0.00 N ATOM 799 CA THR A 52 176.336 -0.367 9.631 1.00 0.00 C ATOM 800 C THR A 52 176.405 0.602 10.808 1.00 0.00 C ATOM 801 O THR A 52 177.284 1.463 10.867 1.00 0.00 O ATOM 802 CB THR A 52 176.986 -1.697 10.014 1.00 0.00 C ATOM 803 OG1 THR A 52 177.168 -2.513 8.870 1.00 0.00 O ATOM 804 CG2 THR A 52 176.181 -2.489 11.022 1.00 0.00 C ATOM 0 H THR A 52 177.712 -0.400 8.050 1.00 0.00 H new ATOM 0 HA THR A 52 175.287 -0.537 9.388 1.00 0.00 H new ATOM 0 HB THR A 52 177.942 -1.432 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.587 -3.359 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.699 -3.421 11.250 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.066 -1.905 11.935 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.198 -2.712 10.608 1.00 0.00 H new ATOM 812 N ALA A 53 175.471 0.456 11.741 1.00 0.00 N ATOM 813 CA ALA A 53 175.419 1.316 12.916 1.00 0.00 C ATOM 814 C ALA A 53 175.896 0.576 14.162 1.00 0.00 C ATOM 815 O ALA A 53 176.308 -0.582 14.088 1.00 0.00 O ATOM 816 CB ALA A 53 174.005 1.841 13.117 1.00 0.00 C ATOM 0 H ALA A 53 174.738 -0.252 11.706 1.00 0.00 H new ATOM 0 HA ALA A 53 176.090 2.159 12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 53 173.977 2.483 13.998 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.702 2.414 12.241 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.322 1.003 13.257 1.00 0.00 H new ATOM 822 N ASP A 54 175.837 1.252 15.306 1.00 0.00 N ATOM 823 CA ASP A 54 176.262 0.658 16.569 1.00 0.00 C ATOM 824 C ASP A 54 175.065 0.395 17.479 1.00 0.00 C ATOM 825 O ASP A 54 175.197 0.362 18.702 1.00 0.00 O ATOM 826 CB ASP A 54 177.263 1.573 17.276 1.00 0.00 C ATOM 827 CG ASP A 54 178.699 1.245 16.918 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.012 1.190 15.710 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.511 1.044 17.845 1.00 0.00 O ATOM 0 H ASP A 54 175.499 2.211 15.384 1.00 0.00 H new ATOM 0 HA ASP A 54 176.743 -0.295 16.349 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.053 2.609 17.012 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.131 1.486 18.355 1.00 0.00 H new ATOM 834 N ASP A 55 173.896 0.208 16.872 1.00 0.00 N ATOM 835 CA ASP A 55 172.674 -0.053 17.624 1.00 0.00 C ATOM 836 C ASP A 55 171.577 -0.569 16.700 1.00 0.00 C ATOM 837 O ASP A 55 170.410 -0.199 16.835 1.00 0.00 O ATOM 838 CB ASP A 55 172.206 1.218 18.335 1.00 0.00 C ATOM 839 CG ASP A 55 172.012 2.378 17.378 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.009 2.817 16.768 1.00 0.00 O ATOM 841 OD2 ASP A 55 170.863 2.846 17.239 1.00 0.00 O ATOM 0 H ASP A 55 173.770 0.233 15.860 1.00 0.00 H new ATOM 0 HA ASP A 55 172.888 -0.817 18.372 1.00 0.00 H new ATOM 0 HB2 ASP A 55 171.268 1.017 18.853 1.00 0.00 H new ATOM 0 HB3 ASP A 55 172.936 1.496 19.095 1.00 0.00 H new ATOM 846 N TRP A 56 171.963 -1.421 15.758 1.00 0.00 N ATOM 847 CA TRP A 56 171.021 -1.989 14.802 1.00 0.00 C ATOM 848 C TRP A 56 170.001 -2.885 15.496 1.00 0.00 C ATOM 849 O TRP A 56 168.864 -3.017 15.042 1.00 0.00 O ATOM 850 CB TRP A 56 171.774 -2.780 13.731 1.00 0.00 C ATOM 851 CG TRP A 56 171.785 -2.097 12.400 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.877 -1.801 11.637 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.648 -1.620 11.679 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.485 -1.168 10.482 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.120 -1.047 10.484 1.00 0.00 C ATOM 856 CE3 TRP A 56 169.274 -1.624 11.928 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.265 -0.484 9.541 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.427 -1.066 10.993 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.923 -0.504 9.812 1.00 0.00 C ATOM 0 H TRP A 56 172.926 -1.735 15.636 1.00 0.00 H new ATOM 0 HA TRP A 56 170.482 -1.168 14.330 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.801 -2.940 14.060 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.317 -3.764 13.625 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.899 -2.030 11.902 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.108 -0.841 9.744 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.881 -2.056 12.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.646 -0.048 8.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.363 -1.063 11.176 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.233 -0.077 9.099 1.00 0.00 H new ATOM 870 N GLU A 57 170.414 -3.500 16.599 1.00 0.00 N ATOM 871 CA GLU A 57 169.535 -4.385 17.356 1.00 0.00 C ATOM 872 C GLU A 57 168.288 -3.647 17.843 1.00 0.00 C ATOM 873 O GLU A 57 167.302 -4.273 18.228 1.00 0.00 O ATOM 874 CB GLU A 57 170.284 -4.982 18.548 1.00 0.00 C ATOM 875 CG GLU A 57 171.550 -5.728 18.159 1.00 0.00 C ATOM 876 CD GLU A 57 172.569 -5.769 19.281 1.00 0.00 C ATOM 877 OE1 GLU A 57 173.362 -4.812 19.399 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.574 -6.760 20.043 1.00 0.00 O ATOM 0 H GLU A 57 171.351 -3.402 16.989 1.00 0.00 H new ATOM 0 HA GLU A 57 169.217 -5.188 16.691 1.00 0.00 H new ATOM 0 HB2 GLU A 57 170.542 -4.182 19.242 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.620 -5.663 19.080 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.293 -6.747 17.869 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.995 -5.251 17.286 1.00 0.00 H new ATOM 885 N GLU A 58 168.333 -2.318 17.829 1.00 0.00 N ATOM 886 CA GLU A 58 167.201 -1.513 18.273 1.00 0.00 C ATOM 887 C GLU A 58 166.292 -1.151 17.101 1.00 0.00 C ATOM 888 O GLU A 58 165.075 -1.050 17.256 1.00 0.00 O ATOM 889 CB GLU A 58 167.692 -0.240 18.964 1.00 0.00 C ATOM 890 CG GLU A 58 166.594 0.522 19.687 1.00 0.00 C ATOM 891 CD GLU A 58 167.077 1.842 20.256 1.00 0.00 C ATOM 892 OE1 GLU A 58 168.275 1.937 20.598 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.259 2.779 20.360 1.00 0.00 O ATOM 0 H GLU A 58 169.139 -1.777 17.516 1.00 0.00 H new ATOM 0 HA GLU A 58 166.626 -2.106 18.984 1.00 0.00 H new ATOM 0 HB2 GLU A 58 168.472 -0.502 19.679 1.00 0.00 H new ATOM 0 HB3 GLU A 58 168.148 0.414 18.221 1.00 0.00 H new ATOM 0 HG2 GLU A 58 165.771 0.708 18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.200 -0.095 20.495 1.00 0.00 H new ATOM 900 N GLU A 59 166.891 -0.950 15.931 1.00 0.00 N ATOM 901 CA GLU A 59 166.135 -0.592 14.735 1.00 0.00 C ATOM 902 C GLU A 59 165.465 -1.816 14.115 1.00 0.00 C ATOM 903 O GLU A 59 164.245 -1.851 13.956 1.00 0.00 O ATOM 904 CB GLU A 59 167.053 0.076 13.712 1.00 0.00 C ATOM 905 CG GLU A 59 167.379 1.523 14.044 1.00 0.00 C ATOM 906 CD GLU A 59 168.364 2.137 13.068 1.00 0.00 C ATOM 907 OE1 GLU A 59 169.585 2.025 13.308 1.00 0.00 O ATOM 908 OE2 GLU A 59 167.915 2.729 12.065 1.00 0.00 O ATOM 0 H GLU A 59 167.897 -1.029 15.785 1.00 0.00 H new ATOM 0 HA GLU A 59 165.354 0.109 15.029 1.00 0.00 H new ATOM 0 HB2 GLU A 59 167.981 -0.491 13.644 1.00 0.00 H new ATOM 0 HB3 GLU A 59 166.581 0.034 12.730 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.459 2.108 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 59 167.790 1.577 15.052 1.00 0.00 H new ATOM 915 N ILE A 60 166.266 -2.819 13.769 1.00 0.00 N ATOM 916 CA ILE A 60 165.739 -4.042 13.171 1.00 0.00 C ATOM 917 C ILE A 60 165.477 -5.111 14.228 1.00 0.00 C ATOM 918 O ILE A 60 164.514 -5.871 14.129 1.00 0.00 O ATOM 919 CB ILE A 60 166.696 -4.615 12.106 1.00 0.00 C ATOM 920 CG1 ILE A 60 168.070 -4.894 12.718 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.815 -3.660 10.926 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.980 -5.693 11.812 1.00 0.00 C ATOM 0 H ILE A 60 167.279 -2.810 13.892 1.00 0.00 H new ATOM 0 HA ILE A 60 164.798 -3.770 12.693 1.00 0.00 H new ATOM 0 HB ILE A 60 166.286 -5.557 11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 60 168.551 -3.946 12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.939 -5.433 13.656 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.494 -4.081 10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.833 -3.513 10.476 1.00 0.00 H new ATOM 0 HG23 ILE A 60 167.203 -2.702 11.271 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.937 -5.854 12.308 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.519 -6.656 11.591 1.00 0.00 H new ATOM 0 HD13 ILE A 60 169.141 -5.146 10.883 1.00 0.00 H new ATOM 934 N GLY A 61 166.340 -5.168 15.239 1.00 0.00 N ATOM 935 CA GLY A 61 166.181 -6.152 16.296 1.00 0.00 C ATOM 936 C GLY A 61 167.409 -7.027 16.468 1.00 0.00 C ATOM 937 O GLY A 61 168.141 -6.899 17.449 1.00 0.00 O ATOM 0 H GLY A 61 167.145 -4.551 15.345 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.970 -5.640 17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.319 -6.781 16.075 1.00 0.00 H new ATOM 941 N VAL A 62 167.623 -7.928 15.516 1.00 0.00 N ATOM 942 CA VAL A 62 168.759 -8.844 15.559 1.00 0.00 C ATOM 943 C VAL A 62 170.085 -8.098 15.647 1.00 0.00 C ATOM 944 O VAL A 62 170.130 -6.872 15.555 1.00 0.00 O ATOM 945 CB VAL A 62 168.793 -9.761 14.319 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.819 -10.917 14.482 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.495 -8.970 13.051 1.00 0.00 C ATOM 0 H VAL A 62 167.022 -8.045 14.700 1.00 0.00 H new ATOM 0 HA VAL A 62 168.627 -9.449 16.456 1.00 0.00 H new ATOM 0 HB VAL A 62 169.797 -10.174 14.227 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.857 -11.553 13.597 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.092 -11.501 15.361 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.809 -10.527 14.605 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.525 -9.638 12.190 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.505 -8.520 13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 62 169.242 -8.186 12.928 1.00 0.00 H new ATOM 957 N LEU A 63 171.164 -8.856 15.818 1.00 0.00 N ATOM 958 CA LEU A 63 172.501 -8.279 15.912 1.00 0.00 C ATOM 959 C LEU A 63 173.135 -8.174 14.530 1.00 0.00 C ATOM 960 O LEU A 63 173.045 -9.099 13.723 1.00 0.00 O ATOM 961 CB LEU A 63 173.383 -9.127 16.829 1.00 0.00 C ATOM 962 CG LEU A 63 172.891 -9.246 18.273 1.00 0.00 C ATOM 963 CD1 LEU A 63 172.082 -10.520 18.458 1.00 0.00 C ATOM 964 CD2 LEU A 63 174.064 -9.212 19.241 1.00 0.00 C ATOM 0 H LEU A 63 171.138 -9.873 15.894 1.00 0.00 H new ATOM 0 HA LEU A 63 172.414 -7.278 16.334 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.464 -10.128 16.405 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.387 -8.702 16.837 1.00 0.00 H new ATOM 0 HG LEU A 63 172.244 -8.395 18.487 1.00 0.00 H new ATOM 0 HD11 LEU A 63 171.741 -10.587 19.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 171.220 -10.504 17.791 1.00 0.00 H new ATOM 0 HD13 LEU A 63 172.705 -11.384 18.225 1.00 0.00 H new ATOM 0 HD21 LEU A 63 173.695 -9.298 20.263 1.00 0.00 H new ATOM 0 HD22 LEU A 63 174.736 -10.043 19.027 1.00 0.00 H new ATOM 0 HD23 LEU A 63 174.602 -8.271 19.127 1.00 0.00 H new ATOM 976 N ILE A 64 173.771 -7.039 14.260 1.00 0.00 N ATOM 977 CA ILE A 64 174.410 -6.815 12.969 1.00 0.00 C ATOM 978 C ILE A 64 175.882 -6.449 13.123 1.00 0.00 C ATOM 979 O ILE A 64 176.219 -5.411 13.692 1.00 0.00 O ATOM 980 CB ILE A 64 173.699 -5.701 12.179 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.186 -5.927 12.184 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.225 -5.646 10.754 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.774 -7.280 11.644 1.00 0.00 C ATOM 0 H ILE A 64 173.857 -6.262 14.916 1.00 0.00 H new ATOM 0 HA ILE A 64 174.334 -7.754 12.420 1.00 0.00 H new ATOM 0 HB ILE A 64 173.906 -4.746 12.661 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.815 -5.824 13.204 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.709 -5.147 11.590 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.713 -4.854 10.208 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.296 -5.443 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.044 -6.602 10.262 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.688 -7.370 11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.114 -7.379 10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.222 -8.066 12.252 1.00 0.00 H new ATOM 995 N ASP A 65 176.753 -7.308 12.604 1.00 0.00 N ATOM 996 CA ASP A 65 178.191 -7.078 12.673 1.00 0.00 C ATOM 997 C ASP A 65 178.579 -5.844 11.856 1.00 0.00 C ATOM 998 O ASP A 65 178.478 -5.849 10.630 1.00 0.00 O ATOM 999 CB ASP A 65 178.944 -8.307 12.161 1.00 0.00 C ATOM 1000 CG ASP A 65 180.045 -8.745 13.107 1.00 0.00 C ATOM 1001 OD1 ASP A 65 180.521 -7.901 13.895 1.00 0.00 O ATOM 1002 OD2 ASP A 65 180.430 -9.932 13.061 1.00 0.00 O ATOM 0 H ASP A 65 176.487 -8.171 12.130 1.00 0.00 H new ATOM 0 HA ASP A 65 178.464 -6.902 13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.241 -9.128 12.021 1.00 0.00 H new ATOM 0 HB3 ASP A 65 179.374 -8.085 11.184 1.00 0.00 H new ATOM 1007 N PRO A 66 179.023 -4.762 12.523 1.00 0.00 N ATOM 1008 CA PRO A 66 179.412 -3.523 11.841 1.00 0.00 C ATOM 1009 C PRO A 66 180.578 -3.720 10.877 1.00 0.00 C ATOM 1010 O PRO A 66 181.281 -4.729 10.931 1.00 0.00 O ATOM 1011 CB PRO A 66 179.809 -2.579 12.981 1.00 0.00 C ATOM 1012 CG PRO A 66 180.069 -3.463 14.151 1.00 0.00 C ATOM 1013 CD PRO A 66 179.170 -4.654 13.984 1.00 0.00 C ATOM 0 HA PRO A 66 178.600 -3.140 11.223 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.695 -2.000 12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 66 179.013 -1.866 13.196 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.115 -3.767 14.185 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.858 -2.944 15.086 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.611 -5.554 14.412 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.209 -4.505 14.476 1.00 0.00 H new ATOM 1021 N GLU A 67 180.765 -2.745 9.989 1.00 0.00 N ATOM 1022 CA GLU A 67 181.835 -2.784 8.991 1.00 0.00 C ATOM 1023 C GLU A 67 181.879 -4.122 8.251 1.00 0.00 C ATOM 1024 O GLU A 67 182.899 -4.481 7.665 1.00 0.00 O ATOM 1025 CB GLU A 67 183.191 -2.497 9.646 1.00 0.00 C ATOM 1026 CG GLU A 67 183.690 -3.612 10.550 1.00 0.00 C ATOM 1027 CD GLU A 67 185.167 -3.484 10.871 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.994 -3.753 9.976 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.495 -3.116 12.019 1.00 0.00 O ATOM 0 H GLU A 67 180.183 -1.909 9.940 1.00 0.00 H new ATOM 0 HA GLU A 67 181.621 -2.008 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.930 -2.319 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.115 -1.578 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.118 -3.606 11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.508 -4.573 10.070 1.00 0.00 H new ATOM 1036 N GLU A 68 180.770 -4.854 8.282 1.00 0.00 N ATOM 1037 CA GLU A 68 180.688 -6.147 7.617 1.00 0.00 C ATOM 1038 C GLU A 68 179.457 -6.239 6.717 1.00 0.00 C ATOM 1039 O GLU A 68 179.360 -7.136 5.879 1.00 0.00 O ATOM 1040 CB GLU A 68 180.670 -7.256 8.663 1.00 0.00 C ATOM 1041 CG GLU A 68 181.965 -7.333 9.446 1.00 0.00 C ATOM 1042 CD GLU A 68 181.800 -8.002 10.796 1.00 0.00 C ATOM 1043 OE1 GLU A 68 181.476 -9.208 10.825 1.00 0.00 O ATOM 1044 OE2 GLU A 68 181.996 -7.320 11.824 1.00 0.00 O ATOM 0 H GLU A 68 179.915 -4.572 8.762 1.00 0.00 H new ATOM 0 HA GLU A 68 181.565 -6.262 6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.842 -7.089 9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 68 180.488 -8.212 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.704 -7.882 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.356 -6.326 9.591 1.00 0.00 H new ATOM 1051 N TYR A 69 178.519 -5.309 6.889 1.00 0.00 N ATOM 1052 CA TYR A 69 177.302 -5.292 6.084 1.00 0.00 C ATOM 1053 C TYR A 69 177.137 -3.950 5.378 1.00 0.00 C ATOM 1054 O TYR A 69 177.762 -2.958 5.754 1.00 0.00 O ATOM 1055 CB TYR A 69 176.081 -5.568 6.961 1.00 0.00 C ATOM 1056 CG TYR A 69 175.958 -7.012 7.392 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.681 -7.498 8.473 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.117 -7.888 6.718 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.571 -8.816 8.870 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.000 -9.208 7.109 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.730 -9.667 8.185 1.00 0.00 C ATOM 1062 OH TYR A 69 175.617 -10.981 8.578 1.00 0.00 O ATOM 0 H TYR A 69 178.580 -4.559 7.578 1.00 0.00 H new ATOM 0 HA TYR A 69 177.385 -6.075 5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.131 -4.936 7.848 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.181 -5.282 6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.340 -6.834 9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 69 174.545 -7.531 5.874 1.00 0.00 H new ATOM 0 HE1 TYR A 69 177.141 -9.178 9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 69 174.341 -9.876 6.575 1.00 0.00 H new ATOM 0 HH TYR A 69 174.983 -11.444 7.992 1.00 0.00 H new ATOM 1072 N ALA A 70 176.287 -3.926 4.358 1.00 0.00 N ATOM 1073 CA ALA A 70 176.031 -2.705 3.603 1.00 0.00 C ATOM 1074 C ALA A 70 174.633 -2.176 3.897 1.00 0.00 C ATOM 1075 O ALA A 70 173.642 -2.879 3.702 1.00 0.00 O ATOM 1076 CB ALA A 70 176.203 -2.960 2.113 1.00 0.00 C ATOM 0 H ALA A 70 175.763 -4.739 4.034 1.00 0.00 H new ATOM 0 HA ALA A 70 176.754 -1.950 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.009 -2.040 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.222 -3.293 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.501 -3.730 1.792 1.00 0.00 H new ATOM 1082 N GLU A 71 174.554 -0.938 4.377 1.00 0.00 N ATOM 1083 CA GLU A 71 173.266 -0.336 4.703 1.00 0.00 C ATOM 1084 C GLU A 71 172.870 0.709 3.662 1.00 0.00 C ATOM 1085 O GLU A 71 173.608 1.662 3.411 1.00 0.00 O ATOM 1086 CB GLU A 71 173.309 0.291 6.109 1.00 0.00 C ATOM 1087 CG GLU A 71 172.086 1.133 6.479 1.00 0.00 C ATOM 1088 CD GLU A 71 172.354 2.056 7.653 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.307 1.787 8.414 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.609 3.045 7.812 1.00 0.00 O ATOM 0 H GLU A 71 175.360 -0.337 4.548 1.00 0.00 H new ATOM 0 HA GLU A 71 172.511 -1.122 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.417 -0.507 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.198 0.917 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 71 171.782 1.726 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.253 0.473 6.722 1.00 0.00 H new ATOM 1097 N VAL A 72 171.697 0.523 3.064 1.00 0.00 N ATOM 1098 CA VAL A 72 171.195 1.448 2.055 1.00 0.00 C ATOM 1099 C VAL A 72 169.918 2.128 2.537 1.00 0.00 C ATOM 1100 O VAL A 72 169.129 1.539 3.276 1.00 0.00 O ATOM 1101 CB VAL A 72 170.934 0.729 0.709 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.851 1.432 -0.102 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.220 0.640 -0.093 1.00 0.00 C ATOM 0 H VAL A 72 171.076 -0.262 3.262 1.00 0.00 H new ATOM 0 HA VAL A 72 171.962 2.205 1.894 1.00 0.00 H new ATOM 0 HB VAL A 72 170.579 -0.278 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.695 0.899 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 72 168.921 1.445 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.161 2.455 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.025 0.133 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.596 1.644 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 72 172.964 0.080 0.473 1.00 0.00 H new ATOM 1113 N TRP A 73 169.724 3.370 2.111 1.00 0.00 N ATOM 1114 CA TRP A 73 168.545 4.138 2.496 1.00 0.00 C ATOM 1115 C TRP A 73 167.795 4.637 1.264 1.00 0.00 C ATOM 1116 O TRP A 73 168.403 5.131 0.315 1.00 0.00 O ATOM 1117 CB TRP A 73 168.955 5.330 3.363 1.00 0.00 C ATOM 1118 CG TRP A 73 168.976 5.025 4.829 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.283 3.832 5.415 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.677 5.932 5.895 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.193 3.940 6.781 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.822 5.219 7.100 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.301 7.277 5.949 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.605 5.807 8.343 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.085 7.859 7.184 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.238 7.124 8.366 1.00 0.00 C ATOM 0 H TRP A 73 170.369 3.868 1.498 1.00 0.00 H new ATOM 0 HA TRP A 73 167.885 3.484 3.065 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.945 5.668 3.056 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.266 6.155 3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.557 2.933 4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.373 3.190 7.449 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.181 7.851 5.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.722 5.243 9.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 167.793 8.898 7.238 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.062 7.607 9.316 1.00 0.00 H new ATOM 1137 N VAL A 74 166.471 4.512 1.287 1.00 0.00 N ATOM 1138 CA VAL A 74 165.645 4.960 0.172 1.00 0.00 C ATOM 1139 C VAL A 74 164.521 5.873 0.652 1.00 0.00 C ATOM 1140 O VAL A 74 163.595 5.436 1.334 1.00 0.00 O ATOM 1141 CB VAL A 74 165.040 3.775 -0.603 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.235 4.275 -1.796 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.135 2.817 -1.051 1.00 0.00 C ATOM 0 H VAL A 74 165.949 4.105 2.063 1.00 0.00 H new ATOM 0 HA VAL A 74 166.300 5.517 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 74 164.365 3.234 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 74 163.814 3.425 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.428 4.919 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 74 164.886 4.840 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.690 1.985 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 74 166.836 3.343 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.664 2.436 -0.178 1.00 0.00 H new ATOM 1153 N GLY A 75 164.623 7.147 0.294 1.00 0.00 N ATOM 1154 CA GLY A 75 163.622 8.117 0.700 1.00 0.00 C ATOM 1155 C GLY A 75 163.027 8.882 -0.464 1.00 0.00 C ATOM 1156 O GLY A 75 162.550 8.289 -1.431 1.00 0.00 O ATOM 0 H GLY A 75 165.382 7.527 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.823 7.603 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.071 8.823 1.399 1.00 0.00 H new ATOM 1160 N LEU A 76 163.056 10.206 -0.364 1.00 0.00 N ATOM 1161 CA LEU A 76 162.515 11.070 -1.410 1.00 0.00 C ATOM 1162 C LEU A 76 163.291 12.384 -1.460 1.00 0.00 C ATOM 1163 O LEU A 76 162.723 13.466 -1.318 1.00 0.00 O ATOM 1164 CB LEU A 76 161.015 11.330 -1.166 1.00 0.00 C ATOM 1165 CG LEU A 76 160.089 11.195 -2.387 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.545 10.077 -3.317 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.656 10.954 -1.933 1.00 0.00 C ATOM 0 H LEU A 76 163.449 10.707 0.433 1.00 0.00 H new ATOM 0 HA LEU A 76 162.623 10.570 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.669 10.639 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.904 12.337 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 76 160.136 12.129 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.867 10.012 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.554 10.288 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.541 9.130 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.009 10.860 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.610 10.037 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.322 11.793 -1.322 1.00 0.00 H new ATOM 1179 N VAL A 77 164.602 12.268 -1.655 1.00 0.00 N ATOM 1180 CA VAL A 77 165.484 13.429 -1.718 1.00 0.00 C ATOM 1181 C VAL A 77 165.152 14.326 -2.907 1.00 0.00 C ATOM 1182 O VAL A 77 164.550 13.887 -3.887 1.00 0.00 O ATOM 1183 CB VAL A 77 166.963 12.997 -1.818 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.169 12.068 -3.003 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.874 14.210 -1.919 1.00 0.00 C ATOM 0 H VAL A 77 165.079 11.374 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 77 165.328 13.990 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 77 167.223 12.454 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.217 11.774 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 166.549 11.180 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.889 12.583 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.911 13.881 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 167.616 14.786 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 77 167.749 14.833 -1.034 1.00 0.00 H new ATOM 1195 N ASN A 78 165.569 15.585 -2.811 1.00 0.00 N ATOM 1196 CA ASN A 78 165.343 16.558 -3.872 1.00 0.00 C ATOM 1197 C ASN A 78 166.570 16.629 -4.785 1.00 0.00 C ATOM 1198 O ASN A 78 167.230 15.617 -5.019 1.00 0.00 O ATOM 1199 CB ASN A 78 165.033 17.931 -3.266 1.00 0.00 C ATOM 1200 CG ASN A 78 164.017 17.854 -2.143 1.00 0.00 C ATOM 1201 OD1 ASN A 78 162.824 18.073 -2.353 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.487 17.543 -0.940 1.00 0.00 N ATOM 0 H ASN A 78 166.069 15.956 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 78 164.487 16.246 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.954 18.374 -2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.658 18.593 -4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 78 163.851 17.478 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 78 165.484 17.369 -0.811 1.00 0.00 H new ATOM 1209 N GLU A 79 166.878 17.819 -5.296 1.00 0.00 N ATOM 1210 CA GLU A 79 168.031 17.993 -6.175 1.00 0.00 C ATOM 1211 C GLU A 79 169.271 18.410 -5.385 1.00 0.00 C ATOM 1212 O GLU A 79 170.198 19.002 -5.938 1.00 0.00 O ATOM 1213 CB GLU A 79 167.724 19.038 -7.250 1.00 0.00 C ATOM 1214 CG GLU A 79 166.691 18.580 -8.266 1.00 0.00 C ATOM 1215 CD GLU A 79 166.261 19.693 -9.202 1.00 0.00 C ATOM 1216 OE1 GLU A 79 166.269 20.866 -8.771 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.917 19.392 -10.364 1.00 0.00 O ATOM 0 H GLU A 79 166.348 18.672 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 79 168.236 17.035 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.369 19.949 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 79 168.647 19.292 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.102 17.757 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 79 165.817 18.193 -7.741 1.00 0.00 H new ATOM 1224 N GLN A 80 169.282 18.103 -4.090 1.00 0.00 N ATOM 1225 CA GLN A 80 170.408 18.450 -3.229 1.00 0.00 C ATOM 1226 C GLN A 80 171.129 17.202 -2.717 1.00 0.00 C ATOM 1227 O GLN A 80 172.223 17.294 -2.161 1.00 0.00 O ATOM 1228 CB GLN A 80 169.922 19.295 -2.052 1.00 0.00 C ATOM 1229 CG GLN A 80 168.845 18.617 -1.222 1.00 0.00 C ATOM 1230 CD GLN A 80 168.316 19.507 -0.115 1.00 0.00 C ATOM 1231 OE1 GLN A 80 167.116 19.769 -0.033 1.00 0.00 O ATOM 1232 NE2 GLN A 80 169.212 19.979 0.744 1.00 0.00 N ATOM 0 H GLN A 80 168.523 17.615 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 80 171.119 19.026 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.770 19.530 -1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 80 169.536 20.242 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.021 18.324 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.249 17.703 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 80 170.197 19.736 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 80 168.915 20.584 1.509 1.00 0.00 H new ATOM 1241 N ASP A 81 170.514 16.035 -2.909 1.00 0.00 N ATOM 1242 CA ASP A 81 171.101 14.770 -2.470 1.00 0.00 C ATOM 1243 C ASP A 81 171.070 14.640 -0.949 1.00 0.00 C ATOM 1244 O ASP A 81 171.910 13.963 -0.356 1.00 0.00 O ATOM 1245 CB ASP A 81 172.540 14.636 -2.982 1.00 0.00 C ATOM 1246 CG ASP A 81 172.690 13.519 -3.997 1.00 0.00 C ATOM 1247 OD1 ASP A 81 172.172 13.667 -5.123 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.326 12.497 -3.664 1.00 0.00 O ATOM 0 H ASP A 81 169.607 15.940 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 81 170.500 13.964 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.851 15.578 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 81 173.207 14.450 -2.140 1.00 0.00 H new ATOM 1253 N GLU A 82 170.084 15.275 -0.328 1.00 0.00 N ATOM 1254 CA GLU A 82 169.923 15.216 1.120 1.00 0.00 C ATOM 1255 C GLU A 82 168.628 14.490 1.464 1.00 0.00 C ATOM 1256 O GLU A 82 167.545 14.923 1.072 1.00 0.00 O ATOM 1257 CB GLU A 82 169.913 16.624 1.717 1.00 0.00 C ATOM 1258 CG GLU A 82 171.276 17.297 1.709 1.00 0.00 C ATOM 1259 CD GLU A 82 171.301 18.573 2.528 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.405 18.750 3.380 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.217 19.396 2.317 1.00 0.00 O ATOM 0 H GLU A 82 169.381 15.839 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 82 170.765 14.669 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.209 17.241 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 82 169.548 16.572 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 82 172.021 16.604 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 82 171.559 17.524 0.681 1.00 0.00 H new ATOM 1268 N MET A 83 168.739 13.379 2.186 1.00 0.00 N ATOM 1269 CA MET A 83 167.567 12.598 2.559 1.00 0.00 C ATOM 1270 C MET A 83 166.917 13.139 3.826 1.00 0.00 C ATOM 1271 O MET A 83 167.352 12.838 4.938 1.00 0.00 O ATOM 1272 CB MET A 83 167.952 11.131 2.759 1.00 0.00 C ATOM 1273 CG MET A 83 166.859 10.155 2.355 1.00 0.00 C ATOM 1274 SD MET A 83 166.718 9.972 0.567 1.00 0.00 S ATOM 1275 CE MET A 83 167.976 8.737 0.253 1.00 0.00 C ATOM 0 H MET A 83 169.625 13.002 2.523 1.00 0.00 H new ATOM 0 HA MET A 83 166.844 12.676 1.747 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.850 10.918 2.180 1.00 0.00 H new ATOM 0 HB3 MET A 83 168.203 10.969 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 83 167.063 9.182 2.801 1.00 0.00 H new ATOM 0 HG3 MET A 83 165.905 10.496 2.758 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.803 9.191 -0.293 1.00 0.00 H new ATOM 0 HE2 MET A 83 168.340 8.340 1.200 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.551 7.927 -0.340 1.00 0.00 H new ATOM 1285 N ASP A 84 165.864 13.929 3.650 1.00 0.00 N ATOM 1286 CA ASP A 84 165.141 14.500 4.780 1.00 0.00 C ATOM 1287 C ASP A 84 164.082 13.524 5.287 1.00 0.00 C ATOM 1288 O ASP A 84 163.669 13.585 6.445 1.00 0.00 O ATOM 1289 CB ASP A 84 164.485 15.825 4.384 1.00 0.00 C ATOM 1290 CG ASP A 84 163.696 15.718 3.094 1.00 0.00 C ATOM 1291 OD1 ASP A 84 162.613 15.096 3.110 1.00 0.00 O ATOM 1292 OD2 ASP A 84 164.160 16.258 2.067 1.00 0.00 O ATOM 0 H ASP A 84 165.492 14.188 2.736 1.00 0.00 H new ATOM 0 HA ASP A 84 165.856 14.689 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 84 163.823 16.153 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.254 16.589 4.274 1.00 0.00 H new ATOM 1297 N ASP A 85 163.648 12.624 4.408 1.00 0.00 N ATOM 1298 CA ASP A 85 162.642 11.631 4.754 1.00 0.00 C ATOM 1299 C ASP A 85 162.959 10.297 4.085 1.00 0.00 C ATOM 1300 O ASP A 85 163.130 10.226 2.867 1.00 0.00 O ATOM 1301 CB ASP A 85 161.251 12.111 4.334 1.00 0.00 C ATOM 1302 CG ASP A 85 160.495 12.759 5.478 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.100 13.579 6.200 1.00 0.00 O ATOM 1304 OD2 ASP A 85 159.299 12.445 5.652 1.00 0.00 O ATOM 0 H ASP A 85 163.982 12.565 3.446 1.00 0.00 H new ATOM 0 HA ASP A 85 162.653 11.493 5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.347 12.824 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 85 160.677 11.266 3.955 1.00 0.00 H new ATOM 1309 N VAL A 86 163.039 9.245 4.890 1.00 0.00 N ATOM 1310 CA VAL A 86 163.341 7.911 4.381 1.00 0.00 C ATOM 1311 C VAL A 86 162.095 7.027 4.407 1.00 0.00 C ATOM 1312 O VAL A 86 161.354 7.005 5.389 1.00 0.00 O ATOM 1313 CB VAL A 86 164.491 7.239 5.184 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.549 7.777 6.606 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.358 5.720 5.189 1.00 0.00 C ATOM 0 H VAL A 86 162.899 9.289 5.899 1.00 0.00 H new ATOM 0 HA VAL A 86 163.672 8.024 3.349 1.00 0.00 H new ATOM 0 HB VAL A 86 165.427 7.489 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.361 7.291 7.146 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.722 8.853 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.605 7.573 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.179 5.285 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.409 5.439 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 86 164.391 5.349 4.165 1.00 0.00 H new ATOM 1325 N PHE A 87 161.880 6.295 3.319 1.00 0.00 N ATOM 1326 CA PHE A 87 160.734 5.402 3.207 1.00 0.00 C ATOM 1327 C PHE A 87 161.095 4.018 3.726 1.00 0.00 C ATOM 1328 O PHE A 87 160.288 3.351 4.374 1.00 0.00 O ATOM 1329 CB PHE A 87 160.278 5.303 1.750 1.00 0.00 C ATOM 1330 CG PHE A 87 159.299 6.369 1.352 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.210 6.660 2.156 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.469 7.081 0.175 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.307 7.640 1.795 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.571 8.064 -0.192 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.488 8.345 0.617 1.00 0.00 C ATOM 0 H PHE A 87 162.487 6.303 2.500 1.00 0.00 H new ATOM 0 HA PHE A 87 159.919 5.808 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.151 5.363 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 87 159.824 4.326 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.065 6.114 3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.313 6.865 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.461 7.856 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.716 8.612 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.784 9.113 0.332 1.00 0.00 H new ATOM 1345 N ALA A 88 162.319 3.598 3.436 1.00 0.00 N ATOM 1346 CA ALA A 88 162.807 2.298 3.867 1.00 0.00 C ATOM 1347 C ALA A 88 164.321 2.313 4.020 1.00 0.00 C ATOM 1348 O ALA A 88 164.979 3.307 3.713 1.00 0.00 O ATOM 1349 CB ALA A 88 162.385 1.223 2.876 1.00 0.00 C ATOM 0 H ALA A 88 162.995 4.144 2.901 1.00 0.00 H new ATOM 0 HA ALA A 88 162.369 2.071 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.757 0.254 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.297 1.193 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.799 1.451 1.894 1.00 0.00 H new ATOM 1355 N LYS A 89 164.868 1.201 4.490 1.00 0.00 N ATOM 1356 CA LYS A 89 166.305 1.062 4.684 1.00 0.00 C ATOM 1357 C LYS A 89 166.676 -0.403 4.498 1.00 0.00 C ATOM 1358 O LYS A 89 165.917 -1.284 4.896 1.00 0.00 O ATOM 1359 CB LYS A 89 166.703 1.557 6.080 1.00 0.00 C ATOM 1360 CG LYS A 89 165.775 2.636 6.627 1.00 0.00 C ATOM 1361 CD LYS A 89 166.193 3.096 8.013 1.00 0.00 C ATOM 1362 CE LYS A 89 165.092 2.864 9.036 1.00 0.00 C ATOM 1363 NZ LYS A 89 164.240 4.072 9.219 1.00 0.00 N ATOM 0 H LYS A 89 164.331 0.373 4.747 1.00 0.00 H new ATOM 0 HA LYS A 89 166.843 1.668 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.711 0.712 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.720 1.948 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.770 3.489 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.755 2.253 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.093 2.562 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.446 4.156 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.471 2.027 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.537 2.585 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 163.502 3.873 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 164.828 4.865 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 163.795 4.323 8.313 1.00 0.00 H new ATOM 1377 N PHE A 90 167.809 -0.675 3.858 1.00 0.00 N ATOM 1378 CA PHE A 90 168.204 -2.057 3.598 1.00 0.00 C ATOM 1379 C PHE A 90 169.578 -2.402 4.166 1.00 0.00 C ATOM 1380 O PHE A 90 170.481 -1.569 4.208 1.00 0.00 O ATOM 1381 CB PHE A 90 168.197 -2.326 2.090 1.00 0.00 C ATOM 1382 CG PHE A 90 166.929 -1.900 1.400 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.554 -0.565 1.366 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.113 -2.836 0.784 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.390 -0.173 0.733 1.00 0.00 C ATOM 1386 CE2 PHE A 90 164.948 -2.449 0.148 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.586 -1.116 0.123 1.00 0.00 C ATOM 0 H PHE A 90 168.461 0.030 3.514 1.00 0.00 H new ATOM 0 HA PHE A 90 167.476 -2.691 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.039 -1.806 1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.351 -3.392 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.179 0.177 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.390 -3.880 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.109 0.870 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.321 -3.188 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.676 -0.812 -0.373 1.00 0.00 H new ATOM 1397 N LEU A 91 169.717 -3.662 4.573 1.00 0.00 N ATOM 1398 CA LEU A 91 170.968 -4.186 5.113 1.00 0.00 C ATOM 1399 C LEU A 91 171.296 -5.505 4.424 1.00 0.00 C ATOM 1400 O LEU A 91 170.468 -6.414 4.401 1.00 0.00 O ATOM 1401 CB LEU A 91 170.861 -4.406 6.624 1.00 0.00 C ATOM 1402 CG LEU A 91 170.638 -3.143 7.456 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.102 -3.499 8.834 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.931 -2.353 7.578 1.00 0.00 C ATOM 0 H LEU A 91 168.964 -4.349 4.537 1.00 0.00 H new ATOM 0 HA LEU A 91 171.761 -3.461 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.040 -5.097 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.774 -4.892 6.969 1.00 0.00 H new ATOM 0 HG LEU A 91 169.899 -2.523 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.950 -2.587 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.153 -4.026 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.818 -4.139 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.755 -1.457 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.689 -2.968 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.278 -2.067 6.585 1.00 0.00 H new ATOM 1416 N ILE A 92 172.483 -5.605 3.837 1.00 0.00 N ATOM 1417 CA ILE A 92 172.862 -6.823 3.125 1.00 0.00 C ATOM 1418 C ILE A 92 174.308 -7.238 3.386 1.00 0.00 C ATOM 1419 O ILE A 92 175.182 -6.402 3.615 1.00 0.00 O ATOM 1420 CB ILE A 92 172.658 -6.665 1.600 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.915 -5.214 1.171 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.251 -7.100 1.216 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.482 -4.911 -0.247 1.00 0.00 C ATOM 0 H ILE A 92 173.191 -4.871 3.838 1.00 0.00 H new ATOM 0 HA ILE A 92 172.208 -7.605 3.511 1.00 0.00 H new ATOM 0 HB ILE A 92 173.373 -7.303 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.389 -4.545 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.979 -4.999 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 92 171.116 -6.986 0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.105 -8.145 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 92 170.523 -6.482 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.695 -3.867 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.026 -5.554 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.412 -5.093 -0.348 1.00 0.00 H new ATOM 1435 N SER A 93 174.537 -8.548 3.338 1.00 0.00 N ATOM 1436 CA SER A 93 175.866 -9.113 3.556 1.00 0.00 C ATOM 1437 C SER A 93 176.803 -8.769 2.398 1.00 0.00 C ATOM 1438 O SER A 93 176.512 -9.071 1.241 1.00 0.00 O ATOM 1439 CB SER A 93 175.776 -10.632 3.717 1.00 0.00 C ATOM 1440 OG SER A 93 174.836 -10.987 4.716 1.00 0.00 O ATOM 0 H SER A 93 173.814 -9.242 3.149 1.00 0.00 H new ATOM 0 HA SER A 93 176.272 -8.679 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.490 -11.085 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.756 -11.031 3.978 1.00 0.00 H new ATOM 0 HG SER A 93 175.136 -10.644 5.584 1.00 0.00 H new ATOM 1446 N HIS A 94 177.926 -8.130 2.720 1.00 0.00 N ATOM 1447 CA HIS A 94 178.909 -7.735 1.710 1.00 0.00 C ATOM 1448 C HIS A 94 179.269 -8.900 0.788 1.00 0.00 C ATOM 1449 O HIS A 94 179.280 -8.753 -0.435 1.00 0.00 O ATOM 1450 CB HIS A 94 180.178 -7.207 2.383 1.00 0.00 C ATOM 1451 CG HIS A 94 180.167 -5.730 2.625 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.741 -4.825 1.762 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.660 -5.002 3.647 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.590 -3.604 2.241 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.936 -3.683 3.384 1.00 0.00 N ATOM 0 H HIS A 94 178.179 -7.874 3.674 1.00 0.00 H new ATOM 0 HA HIS A 94 178.458 -6.947 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.313 -7.720 3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.038 -7.457 1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.136 -5.387 4.509 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.942 -2.695 1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.678 -2.893 3.976 1.00 0.00 H new ATOM 1464 N ARG A 95 179.575 -10.051 1.384 1.00 0.00 N ATOM 1465 CA ARG A 95 179.952 -11.246 0.624 1.00 0.00 C ATOM 1466 C ARG A 95 179.060 -11.447 -0.595 1.00 0.00 C ATOM 1467 O ARG A 95 177.963 -10.895 -0.678 1.00 0.00 O ATOM 1468 CB ARG A 95 179.892 -12.482 1.523 1.00 0.00 C ATOM 1469 CG ARG A 95 180.959 -12.498 2.607 1.00 0.00 C ATOM 1470 CD ARG A 95 180.363 -12.798 3.974 1.00 0.00 C ATOM 1471 NE ARG A 95 179.984 -11.579 4.685 1.00 0.00 N ATOM 1472 CZ ARG A 95 179.130 -11.552 5.706 1.00 0.00 C ATOM 1473 NH1 ARG A 95 178.566 -12.672 6.140 1.00 0.00 N ATOM 1474 NH2 ARG A 95 178.839 -10.400 6.296 1.00 0.00 N ATOM 0 H ARG A 95 179.570 -10.184 2.395 1.00 0.00 H new ATOM 0 HA ARG A 95 180.973 -11.102 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 95 178.909 -12.533 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.998 -13.375 0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 95 181.713 -13.247 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.466 -11.533 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.487 -13.436 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 95 181.085 -13.356 4.570 1.00 0.00 H new ATOM 0 HE ARG A 95 180.398 -10.698 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 95 178.786 -13.561 5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 95 177.913 -12.644 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 95 179.269 -9.536 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 95 178.185 -10.379 7.078 1.00 0.00 H new ATOM 1488 N GLU A 96 179.551 -12.238 -1.544 1.00 0.00 N ATOM 1489 CA GLU A 96 178.815 -12.513 -2.769 1.00 0.00 C ATOM 1490 C GLU A 96 178.101 -13.861 -2.691 1.00 0.00 C ATOM 1491 O GLU A 96 177.000 -14.021 -3.219 1.00 0.00 O ATOM 1492 CB GLU A 96 179.765 -12.460 -3.969 1.00 0.00 C ATOM 1493 CG GLU A 96 180.705 -13.653 -4.081 1.00 0.00 C ATOM 1494 CD GLU A 96 180.509 -14.433 -5.367 1.00 0.00 C ATOM 1495 OE1 GLU A 96 179.405 -14.981 -5.567 1.00 0.00 O ATOM 1496 OE2 GLU A 96 181.461 -14.496 -6.173 1.00 0.00 O ATOM 0 H GLU A 96 180.458 -12.700 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 96 178.050 -11.747 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 96 179.174 -12.392 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.360 -11.549 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.736 -13.304 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.547 -14.316 -3.231 1.00 0.00 H new ATOM 1503 N GLU A 97 178.724 -14.824 -2.017 1.00 0.00 N ATOM 1504 CA GLU A 97 178.134 -16.148 -1.859 1.00 0.00 C ATOM 1505 C GLU A 97 177.310 -16.192 -0.577 1.00 0.00 C ATOM 1506 O GLU A 97 177.805 -15.845 0.495 1.00 0.00 O ATOM 1507 CB GLU A 97 179.226 -17.227 -1.845 1.00 0.00 C ATOM 1508 CG GLU A 97 179.709 -17.608 -0.453 1.00 0.00 C ATOM 1509 CD GLU A 97 180.802 -18.659 -0.482 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.759 -18.499 -1.269 1.00 0.00 O ATOM 1511 OE2 GLU A 97 180.702 -19.642 0.282 1.00 0.00 O ATOM 0 H GLU A 97 179.635 -14.712 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 97 177.477 -16.349 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 97 178.846 -18.119 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.077 -16.875 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 97 180.080 -16.718 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 97 178.867 -17.981 0.130 1.00 0.00 H new ATOM 1518 N ASP A 98 176.051 -16.601 -0.691 1.00 0.00 N ATOM 1519 CA ASP A 98 175.166 -16.662 0.468 1.00 0.00 C ATOM 1520 C ASP A 98 175.084 -15.289 1.127 1.00 0.00 C ATOM 1521 O ASP A 98 176.035 -14.843 1.769 1.00 0.00 O ATOM 1522 CB ASP A 98 175.670 -17.700 1.473 1.00 0.00 C ATOM 1523 CG ASP A 98 174.537 -18.435 2.161 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.810 -19.183 1.473 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.375 -18.263 3.387 1.00 0.00 O ATOM 0 H ASP A 98 175.622 -16.894 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 98 174.171 -16.959 0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.307 -18.420 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.287 -17.206 2.223 1.00 0.00 H new ATOM 1530 N ARG A 99 173.954 -14.613 0.961 1.00 0.00 N ATOM 1531 CA ARG A 99 173.782 -13.287 1.538 1.00 0.00 C ATOM 1532 C ARG A 99 172.398 -13.117 2.151 1.00 0.00 C ATOM 1533 O ARG A 99 171.418 -13.696 1.682 1.00 0.00 O ATOM 1534 CB ARG A 99 174.011 -12.215 0.471 1.00 0.00 C ATOM 1535 CG ARG A 99 173.223 -12.453 -0.809 1.00 0.00 C ATOM 1536 CD ARG A 99 172.131 -11.412 -0.996 1.00 0.00 C ATOM 1537 NE ARG A 99 171.254 -11.734 -2.120 1.00 0.00 N ATOM 1538 CZ ARG A 99 170.463 -10.849 -2.720 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.433 -9.587 -2.308 1.00 0.00 N ATOM 1540 NH2 ARG A 99 169.698 -11.225 -3.736 1.00 0.00 N ATOM 0 H ARG A 99 173.150 -14.958 0.436 1.00 0.00 H new ATOM 0 HA ARG A 99 174.519 -13.174 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.738 -11.242 0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 99 175.074 -12.173 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.900 -12.429 -1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.778 -13.448 -0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.539 -11.340 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 99 172.586 -10.435 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 99 171.248 -12.694 -2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 99 171.019 -9.291 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.824 -8.913 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 99 169.716 -12.193 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 99 169.091 -10.546 -4.196 1.00 0.00 H new ATOM 1554 N GLU A 100 172.333 -12.308 3.201 1.00 0.00 N ATOM 1555 CA GLU A 100 171.078 -12.039 3.889 1.00 0.00 C ATOM 1556 C GLU A 100 170.711 -10.565 3.772 1.00 0.00 C ATOM 1557 O GLU A 100 171.550 -9.688 3.985 1.00 0.00 O ATOM 1558 CB GLU A 100 171.183 -12.437 5.363 1.00 0.00 C ATOM 1559 CG GLU A 100 171.375 -13.929 5.578 1.00 0.00 C ATOM 1560 CD GLU A 100 170.137 -14.732 5.230 1.00 0.00 C ATOM 1561 OE1 GLU A 100 169.828 -14.854 4.026 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.476 -15.237 6.161 1.00 0.00 O ATOM 0 H GLU A 100 173.140 -11.825 3.596 1.00 0.00 H new ATOM 0 HA GLU A 100 170.294 -12.633 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.018 -11.903 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.280 -12.117 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.211 -14.275 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 100 171.641 -14.111 6.619 1.00 0.00 H new ATOM 1569 N PHE A 101 169.454 -10.297 3.432 1.00 0.00 N ATOM 1570 CA PHE A 101 168.978 -8.927 3.289 1.00 0.00 C ATOM 1571 C PHE A 101 167.823 -8.659 4.248 1.00 0.00 C ATOM 1572 O PHE A 101 166.950 -9.507 4.436 1.00 0.00 O ATOM 1573 CB PHE A 101 168.540 -8.659 1.846 1.00 0.00 C ATOM 1574 CG PHE A 101 167.289 -9.390 1.445 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.346 -10.705 1.010 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.056 -8.759 1.501 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.197 -11.377 0.640 1.00 0.00 C ATOM 1578 CE2 PHE A 101 164.904 -9.426 1.132 1.00 0.00 C ATOM 1579 CZ PHE A 101 164.974 -10.737 0.701 1.00 0.00 C ATOM 0 H PHE A 101 168.748 -11.010 3.251 1.00 0.00 H new ATOM 0 HA PHE A 101 169.798 -8.253 3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.381 -7.588 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.348 -8.944 1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 101 168.299 -11.210 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 101 165.995 -7.734 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 101 166.255 -12.402 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 101 163.949 -8.923 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.074 -11.260 0.412 1.00 0.00 H new ATOM 1589 N HIS A 102 167.824 -7.478 4.857 1.00 0.00 N ATOM 1590 CA HIS A 102 166.773 -7.109 5.800 1.00 0.00 C ATOM 1591 C HIS A 102 166.432 -5.627 5.688 1.00 0.00 C ATOM 1592 O HIS A 102 167.169 -4.767 6.170 1.00 0.00 O ATOM 1593 CB HIS A 102 167.181 -7.452 7.240 1.00 0.00 C ATOM 1594 CG HIS A 102 168.656 -7.378 7.506 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.187 -6.743 8.609 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.713 -7.876 6.819 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.503 -6.853 8.589 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.847 -7.536 7.514 1.00 0.00 N ATOM 0 H HIS A 102 168.537 -6.762 4.716 1.00 0.00 H new ATOM 0 HA HIS A 102 165.884 -7.687 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.668 -6.773 7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.833 -8.459 7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.671 -8.436 5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 102 171.182 -6.452 9.327 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.801 -7.773 7.243 1.00 0.00 H new ATOM 1607 N VAL A 103 165.310 -5.343 5.036 1.00 0.00 N ATOM 1608 CA VAL A 103 164.866 -3.967 4.844 1.00 0.00 C ATOM 1609 C VAL A 103 163.806 -3.564 5.862 1.00 0.00 C ATOM 1610 O VAL A 103 162.930 -4.354 6.211 1.00 0.00 O ATOM 1611 CB VAL A 103 164.299 -3.746 3.429 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.042 -4.577 3.216 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.014 -2.269 3.194 1.00 0.00 C ATOM 0 H VAL A 103 164.692 -6.046 4.632 1.00 0.00 H new ATOM 0 HA VAL A 103 165.750 -3.344 4.982 1.00 0.00 H new ATOM 0 HB VAL A 103 165.047 -4.071 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.659 -4.405 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.279 -5.634 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.287 -4.288 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.614 -2.131 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.286 -1.918 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.937 -1.699 3.298 1.00 0.00 H new ATOM 1623 N ILE A 104 163.888 -2.320 6.323 1.00 0.00 N ATOM 1624 CA ILE A 104 162.928 -1.800 7.289 1.00 0.00 C ATOM 1625 C ILE A 104 161.992 -0.788 6.643 1.00 0.00 C ATOM 1626 O ILE A 104 162.425 0.085 5.890 1.00 0.00 O ATOM 1627 CB ILE A 104 163.622 -1.136 8.492 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.907 -0.421 8.050 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.910 -2.179 9.560 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.800 -0.017 9.189 1.00 0.00 C ATOM 0 H ILE A 104 164.609 -1.654 6.043 1.00 0.00 H new ATOM 0 HA ILE A 104 162.355 -2.657 7.643 1.00 0.00 H new ATOM 0 HB ILE A 104 162.957 -0.383 8.916 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.463 -1.076 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.639 0.467 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 104 164.401 -1.704 10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.974 -2.631 9.888 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.561 -2.950 9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.686 0.482 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.262 0.664 9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 104 166.100 -0.903 9.748 1.00 0.00 H new ATOM 1642 N TRP A 105 160.707 -0.911 6.946 1.00 0.00 N ATOM 1643 CA TRP A 105 159.701 -0.006 6.399 1.00 0.00 C ATOM 1644 C TRP A 105 159.050 0.816 7.508 1.00 0.00 C ATOM 1645 O TRP A 105 158.787 0.308 8.598 1.00 0.00 O ATOM 1646 CB TRP A 105 158.633 -0.793 5.639 1.00 0.00 C ATOM 1647 CG TRP A 105 159.203 -1.780 4.665 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.335 -3.127 4.850 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.722 -1.503 3.356 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.898 -3.704 3.738 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.145 -2.730 2.807 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.868 -0.339 2.591 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.702 -2.825 1.534 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.422 -0.437 1.329 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.832 -1.671 0.811 1.00 0.00 C ATOM 0 H TRP A 105 160.335 -1.629 7.568 1.00 0.00 H new ATOM 0 HA TRP A 105 160.199 0.675 5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.003 -1.322 6.355 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.990 -0.095 5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.040 -3.661 5.741 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.100 -4.697 3.624 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.553 0.618 2.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.020 -3.776 1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.541 0.455 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.260 -1.713 -0.180 1.00 0.00 H new ATOM 1666 N LYS A 106 158.796 2.089 7.222 1.00 0.00 N ATOM 1667 CA LYS A 106 158.178 2.982 8.196 1.00 0.00 C ATOM 1668 C LYS A 106 156.709 2.628 8.408 1.00 0.00 C ATOM 1669 O LYS A 106 156.087 1.981 7.565 1.00 0.00 O ATOM 1670 CB LYS A 106 158.302 4.435 7.736 1.00 0.00 C ATOM 1671 CG LYS A 106 159.598 5.101 8.168 1.00 0.00 C ATOM 1672 CD LYS A 106 159.465 6.616 8.197 1.00 0.00 C ATOM 1673 CE LYS A 106 159.334 7.138 9.619 1.00 0.00 C ATOM 1674 NZ LYS A 106 158.374 8.272 9.707 1.00 0.00 N ATOM 0 H LYS A 106 159.008 2.525 6.325 1.00 0.00 H new ATOM 0 HA LYS A 106 158.702 2.861 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.230 4.471 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.461 5.005 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.881 4.741 9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 106 160.399 4.818 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 106 160.336 7.068 7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 106 158.593 6.917 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 106 159.004 6.331 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 106 160.311 7.460 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 158.313 8.599 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 158.702 9.052 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 157.435 7.958 9.388 1.00 0.00 H new ATOM 1688 N LYS A 107 156.161 3.058 9.540 1.00 0.00 N ATOM 1689 CA LYS A 107 154.765 2.788 9.866 1.00 0.00 C ATOM 1690 C LYS A 107 153.935 4.066 9.804 1.00 0.00 C ATOM 1691 O LYS A 107 153.145 4.212 8.848 1.00 0.00 O ATOM 1692 CB LYS A 107 154.656 2.163 11.258 1.00 0.00 C ATOM 1693 CG LYS A 107 155.552 0.950 11.451 1.00 0.00 C ATOM 1694 CD LYS A 107 155.606 0.523 12.909 1.00 0.00 C ATOM 1695 CE LYS A 107 156.911 -0.186 13.234 1.00 0.00 C ATOM 1696 NZ LYS A 107 157.132 -1.374 12.362 1.00 0.00 N ATOM 1697 OXT LYS A 107 154.083 4.911 10.712 1.00 0.00 O ATOM 0 H LYS A 107 156.663 3.595 10.247 1.00 0.00 H new ATOM 0 HA LYS A 107 154.375 2.086 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.910 2.915 12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 107 153.621 1.872 11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 107 155.184 0.124 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 107 156.558 1.180 11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 107 155.497 1.398 13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 107 154.767 -0.138 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 107 157.741 0.510 13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 107 156.904 -0.499 14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 157.969 -1.896 12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 156.298 -1.994 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.283 -1.062 11.382 1.00 0.00 H new