USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 ASN : amide:sc= -3.24 K(o=-4.3,f=-12!) USER MOD Set 1.2: A 80 GLN : amide:sc= -1.02 K(o=-4.3,f=-6.8) USER MOD Set 2.1: A 24 MET CE :methyl 155:sc= -1.96 (180deg=-3.4!) USER MOD Set 2.2: A 28 ASN : amide:sc= -7.78! K(o=-9.7!,f=-3.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= -0.0175 (180deg=-0.22) USER MOD Single : A 12 THR OG1 : rot -160:sc= -0.633 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 40 GLN : amide:sc= -8.74! C(o=-8.7!,f=-6.9!) USER MOD Single : A 52 THR OG1 : rot 131:sc= -0.0409 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 178:sc= -2.37 (180deg=-2.38) USER MOD Single : A 89 LYS NZ :NH3+ 151:sc= -1.44 (180deg=-4.06!) USER MOD Single : A 93 SER OG : rot 169:sc= -0.307 USER MOD Single : A 94 HIS : no HD1:sc= -7.95! C(o=-7.9!,f=-9.7!) USER MOD Single : A 102 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.018 -8.051 2.725 1.00 0.00 N ATOM 81 CA LYS A 6 184.317 -7.454 3.857 1.00 0.00 C ATOM 82 C LYS A 6 183.893 -6.021 3.551 1.00 0.00 C ATOM 83 O LYS A 6 183.571 -5.252 4.456 1.00 0.00 O ATOM 84 CB LYS A 6 185.205 -7.479 5.099 1.00 0.00 C ATOM 85 CG LYS A 6 184.994 -8.701 5.977 1.00 0.00 C ATOM 86 CD LYS A 6 186.102 -8.845 7.007 1.00 0.00 C ATOM 87 CE LYS A 6 185.779 -8.085 8.283 1.00 0.00 C ATOM 88 NZ LYS A 6 184.853 -8.847 9.166 1.00 0.00 N ATOM 0 HA LYS A 6 183.419 -8.043 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 6 186.249 -7.442 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 6 185.015 -6.582 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 6 184.032 -8.624 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 6 184.956 -9.595 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 6 186.250 -9.900 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 6 187.039 -8.475 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 6 186.702 -7.873 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 6 185.330 -7.125 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 184.658 -8.294 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 183.962 -9.028 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 185.291 -9.753 9.430 1.00 0.00 H new ATOM 102 N LYS A 7 183.898 -5.671 2.273 1.00 0.00 N ATOM 103 CA LYS A 7 183.516 -4.333 1.843 1.00 0.00 C ATOM 104 C LYS A 7 182.923 -4.354 0.437 1.00 0.00 C ATOM 105 O LYS A 7 183.130 -5.300 -0.323 1.00 0.00 O ATOM 106 CB LYS A 7 184.730 -3.405 1.880 1.00 0.00 C ATOM 107 CG LYS A 7 185.002 -2.810 3.253 1.00 0.00 C ATOM 108 CD LYS A 7 185.034 -1.290 3.207 1.00 0.00 C ATOM 109 CE LYS A 7 183.656 -0.711 2.932 1.00 0.00 C ATOM 110 NZ LYS A 7 182.708 -0.979 4.048 1.00 0.00 N ATOM 0 H LYS A 7 184.163 -6.297 1.513 1.00 0.00 H new ATOM 0 HA LYS A 7 182.755 -3.962 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.610 -3.959 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.579 -2.595 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.232 -3.138 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.954 -3.184 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 7 185.409 -0.904 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 7 185.728 -0.963 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 7 183.739 0.365 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 7 183.261 -1.137 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 181.881 -0.355 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 182.399 -1.971 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 183.181 -0.799 4.956 1.00 0.00 H new ATOM 124 N LEU A 8 182.192 -3.298 0.098 1.00 0.00 N ATOM 125 CA LEU A 8 181.573 -3.179 -1.219 1.00 0.00 C ATOM 126 C LEU A 8 181.763 -1.770 -1.773 1.00 0.00 C ATOM 127 O LEU A 8 181.905 -0.811 -1.014 1.00 0.00 O ATOM 128 CB LEU A 8 180.082 -3.514 -1.142 1.00 0.00 C ATOM 129 CG LEU A 8 179.710 -4.914 -1.631 1.00 0.00 C ATOM 130 CD1 LEU A 8 178.522 -5.453 -0.850 1.00 0.00 C ATOM 131 CD2 LEU A 8 179.407 -4.892 -3.121 1.00 0.00 C ATOM 0 H LEU A 8 182.013 -2.509 0.719 1.00 0.00 H new ATOM 0 HA LEU A 8 182.058 -3.888 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.754 -3.407 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.529 -2.781 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 8 180.559 -5.577 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 8 178.271 -6.450 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.776 -5.504 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.666 -4.792 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 8 179.144 -5.896 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.574 -4.216 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 8 180.286 -4.548 -3.666 1.00 0.00 H new ATOM 143 N ASP A 9 181.767 -1.649 -3.097 1.00 0.00 N ATOM 144 CA ASP A 9 181.941 -0.353 -3.742 1.00 0.00 C ATOM 145 C ASP A 9 180.702 0.521 -3.555 1.00 0.00 C ATOM 146 O ASP A 9 179.586 0.014 -3.448 1.00 0.00 O ATOM 147 CB ASP A 9 182.232 -0.540 -5.234 1.00 0.00 C ATOM 148 CG ASP A 9 183.647 -0.139 -5.602 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.875 1.060 -5.868 1.00 0.00 O ATOM 150 OD2 ASP A 9 184.528 -1.024 -5.624 1.00 0.00 O ATOM 0 H ASP A 9 181.652 -2.431 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 9 182.788 0.149 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 9 182.071 -1.584 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.526 0.053 -5.816 1.00 0.00 H new ATOM 155 N PRO A 10 180.886 1.852 -3.511 1.00 0.00 N ATOM 156 CA PRO A 10 179.778 2.797 -3.334 1.00 0.00 C ATOM 157 C PRO A 10 178.680 2.611 -4.377 1.00 0.00 C ATOM 158 O PRO A 10 177.514 2.419 -4.036 1.00 0.00 O ATOM 159 CB PRO A 10 180.443 4.167 -3.501 1.00 0.00 C ATOM 160 CG PRO A 10 181.878 3.938 -3.175 1.00 0.00 C ATOM 161 CD PRO A 10 182.185 2.539 -3.629 1.00 0.00 C ATOM 0 HA PRO A 10 179.283 2.662 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 10 180.324 4.543 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.999 4.906 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.514 4.662 -3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 10 182.058 4.050 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.558 2.521 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.946 2.071 -3.004 1.00 0.00 H new ATOM 169 N ASP A 11 179.060 2.674 -5.649 1.00 0.00 N ATOM 170 CA ASP A 11 178.106 2.518 -6.741 1.00 0.00 C ATOM 171 C ASP A 11 177.606 1.079 -6.836 1.00 0.00 C ATOM 172 O ASP A 11 176.471 0.833 -7.244 1.00 0.00 O ATOM 173 CB ASP A 11 178.745 2.936 -8.066 1.00 0.00 C ATOM 174 CG ASP A 11 177.729 3.480 -9.051 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.382 4.676 -8.946 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.281 2.712 -9.927 1.00 0.00 O ATOM 0 H ASP A 11 180.022 2.832 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 11 177.252 3.163 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.505 3.694 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 11 179.253 2.079 -8.508 1.00 0.00 H new ATOM 181 N THR A 12 178.461 0.133 -6.463 1.00 0.00 N ATOM 182 CA THR A 12 178.103 -1.280 -6.512 1.00 0.00 C ATOM 183 C THR A 12 176.967 -1.595 -5.542 1.00 0.00 C ATOM 184 O THR A 12 175.893 -2.034 -5.952 1.00 0.00 O ATOM 185 CB THR A 12 179.321 -2.149 -6.192 1.00 0.00 C ATOM 186 OG1 THR A 12 180.379 -1.878 -7.096 1.00 0.00 O ATOM 187 CG2 THR A 12 179.031 -3.634 -6.255 1.00 0.00 C ATOM 0 H THR A 12 179.405 0.318 -6.124 1.00 0.00 H new ATOM 0 HA THR A 12 177.761 -1.504 -7.522 1.00 0.00 H new ATOM 0 HB THR A 12 179.599 -1.894 -5.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 181.010 -2.628 -7.096 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.937 -4.192 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 12 178.252 -3.883 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 12 178.695 -3.897 -7.258 1.00 0.00 H new ATOM 195 N ALA A 13 177.212 -1.371 -4.254 1.00 0.00 N ATOM 196 CA ALA A 13 176.209 -1.635 -3.228 1.00 0.00 C ATOM 197 C ALA A 13 174.918 -0.869 -3.502 1.00 0.00 C ATOM 198 O ALA A 13 173.823 -1.421 -3.392 1.00 0.00 O ATOM 199 CB ALA A 13 176.755 -1.278 -1.854 1.00 0.00 C ATOM 0 H ALA A 13 178.096 -1.008 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 13 175.976 -2.700 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.997 -1.480 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.642 -1.877 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 13 177.018 -0.221 -1.831 1.00 0.00 H new ATOM 205 N ILE A 14 175.051 0.405 -3.860 1.00 0.00 N ATOM 206 CA ILE A 14 173.891 1.240 -4.150 1.00 0.00 C ATOM 207 C ILE A 14 173.047 0.626 -5.264 1.00 0.00 C ATOM 208 O ILE A 14 171.817 0.665 -5.219 1.00 0.00 O ATOM 209 CB ILE A 14 174.312 2.673 -4.548 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.932 3.393 -3.349 1.00 0.00 C ATOM 211 CG2 ILE A 14 173.122 3.460 -5.082 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.629 4.686 -3.714 1.00 0.00 C ATOM 0 H ILE A 14 175.948 0.880 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 14 173.296 1.295 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 14 175.056 2.604 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 14 174.151 3.604 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.648 2.728 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 14 173.444 4.465 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.718 2.957 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 14 172.352 3.522 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 14 176.044 5.142 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 14 176.433 4.479 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.912 5.370 -4.169 1.00 0.00 H new ATOM 224 N ASP A 15 173.716 0.055 -6.260 1.00 0.00 N ATOM 225 CA ASP A 15 173.027 -0.573 -7.381 1.00 0.00 C ATOM 226 C ASP A 15 172.166 -1.737 -6.898 1.00 0.00 C ATOM 227 O ASP A 15 170.990 -1.839 -7.246 1.00 0.00 O ATOM 228 CB ASP A 15 174.039 -1.063 -8.420 1.00 0.00 C ATOM 229 CG ASP A 15 173.768 -0.501 -9.801 1.00 0.00 C ATOM 230 OD1 ASP A 15 173.962 0.718 -9.995 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.361 -1.279 -10.689 1.00 0.00 O ATOM 0 H ASP A 15 174.734 0.014 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 15 172.378 0.170 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 15 175.044 -0.780 -8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 174.014 -2.152 -8.463 1.00 0.00 H new ATOM 236 N ILE A 16 172.763 -2.611 -6.093 1.00 0.00 N ATOM 237 CA ILE A 16 172.053 -3.769 -5.558 1.00 0.00 C ATOM 238 C ILE A 16 170.811 -3.338 -4.785 1.00 0.00 C ATOM 239 O ILE A 16 169.718 -3.858 -5.005 1.00 0.00 O ATOM 240 CB ILE A 16 172.952 -4.611 -4.627 1.00 0.00 C ATOM 241 CG1 ILE A 16 174.360 -4.761 -5.207 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.336 -5.977 -4.392 1.00 0.00 C ATOM 243 CD1 ILE A 16 174.386 -5.097 -6.683 1.00 0.00 C ATOM 0 H ILE A 16 173.736 -2.540 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 16 171.761 -4.379 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 16 173.031 -4.089 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.909 -3.833 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 16 174.887 -5.542 -4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.981 -6.559 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.356 -5.860 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 16 172.227 -6.496 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.419 -5.186 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 16 173.867 -6.041 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.890 -4.306 -7.245 1.00 0.00 H new ATOM 255 N ALA A 17 170.991 -2.382 -3.879 1.00 0.00 N ATOM 256 CA ALA A 17 169.888 -1.875 -3.071 1.00 0.00 C ATOM 257 C ALA A 17 168.745 -1.380 -3.950 1.00 0.00 C ATOM 258 O ALA A 17 167.572 -1.558 -3.620 1.00 0.00 O ATOM 259 CB ALA A 17 170.373 -0.760 -2.157 1.00 0.00 C ATOM 0 H ALA A 17 171.891 -1.943 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 17 169.512 -2.695 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.539 -0.391 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 17 171.151 -1.143 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.777 0.054 -2.759 1.00 0.00 H new ATOM 265 N TYR A 18 169.095 -0.761 -5.073 1.00 0.00 N ATOM 266 CA TYR A 18 168.098 -0.244 -6.002 1.00 0.00 C ATOM 267 C TYR A 18 167.212 -1.369 -6.527 1.00 0.00 C ATOM 268 O TYR A 18 165.990 -1.331 -6.380 1.00 0.00 O ATOM 269 CB TYR A 18 168.781 0.473 -7.168 1.00 0.00 C ATOM 270 CG TYR A 18 167.873 1.424 -7.915 1.00 0.00 C ATOM 271 CD1 TYR A 18 167.009 0.961 -8.900 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.879 2.784 -7.634 1.00 0.00 C ATOM 273 CE1 TYR A 18 166.178 1.828 -9.585 1.00 0.00 C ATOM 274 CE2 TYR A 18 167.050 3.657 -8.313 1.00 0.00 C ATOM 275 CZ TYR A 18 166.202 3.174 -9.287 1.00 0.00 C ATOM 276 OH TYR A 18 165.377 4.040 -9.967 1.00 0.00 O ATOM 0 H TYR A 18 170.061 -0.606 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 18 167.470 0.468 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.640 1.027 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 18 169.165 -0.271 -7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.986 -0.093 -9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.542 3.166 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.514 1.453 -10.349 1.00 0.00 H new ATOM 0 HE2 TYR A 18 167.066 4.712 -8.082 1.00 0.00 H new ATOM 0 HH TYR A 18 165.516 4.952 -9.636 1.00 0.00 H new ATOM 286 N ASP A 19 167.836 -2.372 -7.139 1.00 0.00 N ATOM 287 CA ASP A 19 167.105 -3.512 -7.686 1.00 0.00 C ATOM 288 C ASP A 19 166.167 -4.113 -6.644 1.00 0.00 C ATOM 289 O ASP A 19 165.027 -4.463 -6.950 1.00 0.00 O ATOM 290 CB ASP A 19 168.082 -4.578 -8.186 1.00 0.00 C ATOM 291 CG ASP A 19 168.442 -4.391 -9.646 1.00 0.00 C ATOM 292 OD1 ASP A 19 168.468 -3.231 -10.107 1.00 0.00 O ATOM 293 OD2 ASP A 19 168.699 -5.405 -10.329 1.00 0.00 O ATOM 0 H ASP A 19 168.847 -2.419 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 19 166.504 -3.157 -8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.990 -4.546 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.641 -5.565 -8.047 1.00 0.00 H new ATOM 298 N ILE A 20 166.651 -4.226 -5.411 1.00 0.00 N ATOM 299 CA ILE A 20 165.851 -4.779 -4.326 1.00 0.00 C ATOM 300 C ILE A 20 164.598 -3.940 -4.097 1.00 0.00 C ATOM 301 O ILE A 20 163.489 -4.375 -4.395 1.00 0.00 O ATOM 302 CB ILE A 20 166.657 -4.859 -3.013 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.952 -5.643 -3.232 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.824 -5.500 -1.913 1.00 0.00 C ATOM 305 CD1 ILE A 20 169.084 -5.201 -2.330 1.00 0.00 C ATOM 0 H ILE A 20 167.592 -3.942 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 20 165.564 -5.788 -4.621 1.00 0.00 H new ATOM 0 HB ILE A 20 166.913 -3.846 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.758 -6.703 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 20 168.262 -5.534 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.409 -5.548 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.927 -4.904 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.538 -6.508 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.971 -5.799 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.305 -4.149 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.793 -5.336 -1.288 1.00 0.00 H new ATOM 317 N PHE A 21 164.789 -2.735 -3.567 1.00 0.00 N ATOM 318 CA PHE A 21 163.684 -1.817 -3.289 1.00 0.00 C ATOM 319 C PHE A 21 162.628 -1.849 -4.396 1.00 0.00 C ATOM 320 O PHE A 21 161.437 -1.668 -4.139 1.00 0.00 O ATOM 321 CB PHE A 21 164.235 -0.395 -3.134 1.00 0.00 C ATOM 322 CG PHE A 21 163.179 0.671 -3.040 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.140 0.557 -2.134 1.00 0.00 C ATOM 324 CD2 PHE A 21 163.234 1.788 -3.856 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.171 1.539 -2.043 1.00 0.00 C ATOM 326 CE2 PHE A 21 162.270 2.774 -3.770 1.00 0.00 C ATOM 327 CZ PHE A 21 161.237 2.649 -2.862 1.00 0.00 C ATOM 0 H PHE A 21 165.707 -2.367 -3.319 1.00 0.00 H new ATOM 0 HA PHE A 21 163.201 -2.135 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.856 -0.354 -2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.883 -0.174 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 21 162.085 -0.309 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 21 164.040 1.890 -4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.364 1.438 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 21 162.324 3.641 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.482 3.418 -2.793 1.00 0.00 H new ATOM 337 N LEU A 22 163.079 -2.069 -5.625 1.00 0.00 N ATOM 338 CA LEU A 22 162.188 -2.112 -6.779 1.00 0.00 C ATOM 339 C LEU A 22 161.291 -3.349 -6.764 1.00 0.00 C ATOM 340 O LEU A 22 160.105 -3.268 -7.085 1.00 0.00 O ATOM 341 CB LEU A 22 163.013 -2.089 -8.069 1.00 0.00 C ATOM 342 CG LEU A 22 162.670 -0.967 -9.051 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.628 0.377 -8.341 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.682 -0.943 -10.186 1.00 0.00 C ATOM 0 H LEU A 22 164.062 -2.221 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 22 161.543 -1.235 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 22 164.067 -2.006 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 22 162.886 -3.045 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 22 161.681 -1.158 -9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.382 1.160 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.870 0.351 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.602 0.584 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.431 -0.142 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.679 -0.772 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.662 -1.898 -10.711 1.00 0.00 H new ATOM 356 N GLU A 23 161.864 -4.495 -6.410 1.00 0.00 N ATOM 357 CA GLU A 23 161.110 -5.747 -6.378 1.00 0.00 C ATOM 358 C GLU A 23 160.638 -6.094 -4.967 1.00 0.00 C ATOM 359 O GLU A 23 159.548 -6.636 -4.784 1.00 0.00 O ATOM 360 CB GLU A 23 161.967 -6.886 -6.934 1.00 0.00 C ATOM 361 CG GLU A 23 163.161 -7.233 -6.059 1.00 0.00 C ATOM 362 CD GLU A 23 163.902 -8.464 -6.545 1.00 0.00 C ATOM 363 OE1 GLU A 23 163.243 -9.497 -6.785 1.00 0.00 O ATOM 364 OE2 GLU A 23 165.141 -8.394 -6.686 1.00 0.00 O ATOM 0 H GLU A 23 162.844 -4.585 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 23 160.224 -5.614 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 23 161.345 -7.773 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.323 -6.611 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 23 163.847 -6.386 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 23 162.822 -7.398 -5.036 1.00 0.00 H new ATOM 371 N MET A 24 161.465 -5.788 -3.975 1.00 0.00 N ATOM 372 CA MET A 24 161.134 -6.075 -2.584 1.00 0.00 C ATOM 373 C MET A 24 159.957 -5.226 -2.111 1.00 0.00 C ATOM 374 O MET A 24 158.942 -5.753 -1.658 1.00 0.00 O ATOM 375 CB MET A 24 162.352 -5.830 -1.689 1.00 0.00 C ATOM 376 CG MET A 24 162.864 -7.087 -1.004 1.00 0.00 C ATOM 377 SD MET A 24 163.459 -6.772 0.668 1.00 0.00 S ATOM 378 CE MET A 24 161.937 -6.917 1.601 1.00 0.00 C ATOM 0 H MET A 24 162.372 -5.340 -4.108 1.00 0.00 H new ATOM 0 HA MET A 24 160.845 -7.124 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 24 163.154 -5.401 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 24 162.093 -5.092 -0.930 1.00 0.00 H new ATOM 0 HG2 MET A 24 162.065 -7.828 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 24 163.671 -7.517 -1.598 1.00 0.00 H new ATOM 0 HE1 MET A 24 162.166 -7.191 2.631 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.410 -5.963 1.588 1.00 0.00 H new ATOM 0 HE3 MET A 24 161.307 -7.686 1.153 1.00 0.00 H new ATOM 388 N ALA A 25 160.103 -3.908 -2.215 1.00 0.00 N ATOM 389 CA ALA A 25 159.053 -2.985 -1.792 1.00 0.00 C ATOM 390 C ALA A 25 157.693 -3.390 -2.356 1.00 0.00 C ATOM 391 O ALA A 25 157.466 -3.321 -3.564 1.00 0.00 O ATOM 392 CB ALA A 25 159.397 -1.565 -2.214 1.00 0.00 C ATOM 0 H ALA A 25 160.937 -3.455 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 25 158.990 -3.027 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.606 -0.888 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 25 160.339 -1.267 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.493 -1.521 -3.299 1.00 0.00 H new ATOM 398 N GLY A 26 156.794 -3.812 -1.473 1.00 0.00 N ATOM 399 CA GLY A 26 155.468 -4.222 -1.899 1.00 0.00 C ATOM 400 C GLY A 26 154.519 -4.423 -0.733 1.00 0.00 C ATOM 401 O GLY A 26 153.839 -3.489 -0.309 1.00 0.00 O ATOM 0 H GLY A 26 156.960 -3.878 -0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 26 155.057 -3.469 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 26 155.543 -5.150 -2.466 1.00 0.00 H new ATOM 405 N GLU A 27 154.473 -5.646 -0.214 1.00 0.00 N ATOM 406 CA GLU A 27 153.599 -5.966 0.910 1.00 0.00 C ATOM 407 C GLU A 27 154.322 -5.791 2.246 1.00 0.00 C ATOM 408 O GLU A 27 153.767 -6.094 3.303 1.00 0.00 O ATOM 409 CB GLU A 27 153.079 -7.399 0.783 1.00 0.00 C ATOM 410 CG GLU A 27 154.178 -8.449 0.804 1.00 0.00 C ATOM 411 CD GLU A 27 154.616 -8.861 -0.588 1.00 0.00 C ATOM 412 OE1 GLU A 27 155.498 -8.184 -1.158 1.00 0.00 O ATOM 413 OE2 GLU A 27 154.078 -9.861 -1.108 1.00 0.00 O ATOM 0 H GLU A 27 155.030 -6.431 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 27 152.758 -5.273 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.383 -7.598 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 27 152.517 -7.492 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 27 155.037 -8.060 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 27 153.826 -9.327 1.345 1.00 0.00 H new ATOM 420 N ASN A 28 155.558 -5.301 2.197 1.00 0.00 N ATOM 421 CA ASN A 28 156.346 -5.089 3.410 1.00 0.00 C ATOM 422 C ASN A 28 156.353 -3.616 3.807 1.00 0.00 C ATOM 423 O ASN A 28 156.601 -3.277 4.965 1.00 0.00 O ATOM 424 CB ASN A 28 157.786 -5.583 3.219 1.00 0.00 C ATOM 425 CG ASN A 28 158.291 -5.404 1.803 1.00 0.00 C ATOM 426 OD1 ASN A 28 158.591 -6.377 1.111 1.00 0.00 O ATOM 427 ND2 ASN A 28 158.389 -4.160 1.363 1.00 0.00 N ATOM 0 H ASN A 28 156.035 -5.044 1.333 1.00 0.00 H new ATOM 0 HA ASN A 28 155.880 -5.664 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 28 158.442 -5.045 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.841 -6.638 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 28 158.724 -3.979 0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 28 158.130 -3.382 1.970 1.00 0.00 H new ATOM 434 N LEU A 29 156.084 -2.745 2.841 1.00 0.00 N ATOM 435 CA LEU A 29 156.064 -1.309 3.086 1.00 0.00 C ATOM 436 C LEU A 29 154.626 -0.793 3.160 1.00 0.00 C ATOM 437 O LEU A 29 153.749 -1.270 2.441 1.00 0.00 O ATOM 438 CB LEU A 29 156.844 -0.590 1.981 1.00 0.00 C ATOM 439 CG LEU A 29 156.653 0.925 1.910 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.935 1.603 1.453 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.510 1.259 0.964 1.00 0.00 C ATOM 0 H LEU A 29 155.876 -3.010 1.878 1.00 0.00 H new ATOM 0 HA LEU A 29 156.540 -1.105 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.905 -0.797 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.556 -1.019 1.021 1.00 0.00 H new ATOM 0 HG LEU A 29 156.407 1.295 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.780 2.681 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.736 1.380 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.209 1.234 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.380 2.340 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.739 0.879 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.591 0.798 1.326 1.00 0.00 H new ATOM 453 N ASP A 30 154.392 0.178 4.041 1.00 0.00 N ATOM 454 CA ASP A 30 153.060 0.754 4.219 1.00 0.00 C ATOM 455 C ASP A 30 152.441 1.157 2.878 1.00 0.00 C ATOM 456 O ASP A 30 153.080 1.830 2.070 1.00 0.00 O ATOM 457 CB ASP A 30 153.127 1.967 5.149 1.00 0.00 C ATOM 458 CG ASP A 30 152.959 1.586 6.607 1.00 0.00 C ATOM 459 OD1 ASP A 30 153.715 0.712 7.083 1.00 0.00 O ATOM 460 OD2 ASP A 30 152.071 2.159 7.272 1.00 0.00 O ATOM 0 H ASP A 30 155.108 0.583 4.644 1.00 0.00 H new ATOM 0 HA ASP A 30 152.425 -0.010 4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 30 154.084 2.471 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.350 2.679 4.870 1.00 0.00 H new ATOM 465 N PRO A 31 151.183 0.746 2.624 1.00 0.00 N ATOM 466 CA PRO A 31 150.478 1.059 1.374 1.00 0.00 C ATOM 467 C PRO A 31 150.593 2.527 0.972 1.00 0.00 C ATOM 468 O PRO A 31 150.830 2.842 -0.194 1.00 0.00 O ATOM 469 CB PRO A 31 149.026 0.710 1.697 1.00 0.00 C ATOM 470 CG PRO A 31 149.121 -0.370 2.717 1.00 0.00 C ATOM 471 CD PRO A 31 150.347 -0.063 3.535 1.00 0.00 C ATOM 0 HA PRO A 31 150.895 0.510 0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.486 1.575 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.492 0.372 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.230 -0.394 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 31 149.203 -1.348 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 31 150.096 0.487 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.859 -0.974 3.846 1.00 0.00 H new ATOM 479 N ALA A 32 150.420 3.423 1.937 1.00 0.00 N ATOM 480 CA ALA A 32 150.503 4.856 1.670 1.00 0.00 C ATOM 481 C ALA A 32 151.833 5.217 1.014 1.00 0.00 C ATOM 482 O ALA A 32 151.869 5.827 -0.059 1.00 0.00 O ATOM 483 CB ALA A 32 150.317 5.643 2.958 1.00 0.00 C ATOM 0 H ALA A 32 150.222 3.185 2.909 1.00 0.00 H new ATOM 0 HA ALA A 32 149.704 5.119 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.381 6.710 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.340 5.416 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.096 5.367 3.669 1.00 0.00 H new ATOM 489 N ASP A 33 152.925 4.837 1.669 1.00 0.00 N ATOM 490 CA ASP A 33 154.259 5.120 1.156 1.00 0.00 C ATOM 491 C ASP A 33 154.432 4.568 -0.258 1.00 0.00 C ATOM 492 O ASP A 33 155.234 5.082 -1.037 1.00 0.00 O ATOM 493 CB ASP A 33 155.323 4.541 2.094 1.00 0.00 C ATOM 494 CG ASP A 33 155.634 5.469 3.252 1.00 0.00 C ATOM 495 OD1 ASP A 33 155.509 6.699 3.078 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.997 4.965 4.334 1.00 0.00 O ATOM 0 H ASP A 33 152.912 4.333 2.555 1.00 0.00 H new ATOM 0 HA ASP A 33 154.384 6.202 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.980 3.582 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.236 4.348 1.530 1.00 0.00 H new ATOM 501 N ILE A 34 153.666 3.531 -0.591 1.00 0.00 N ATOM 502 CA ILE A 34 153.735 2.937 -1.922 1.00 0.00 C ATOM 503 C ILE A 34 153.253 3.933 -2.968 1.00 0.00 C ATOM 504 O ILE A 34 153.961 4.236 -3.928 1.00 0.00 O ATOM 505 CB ILE A 34 152.884 1.653 -2.026 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.287 0.654 -0.942 1.00 0.00 C ATOM 507 CG2 ILE A 34 153.030 1.030 -3.406 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.481 -0.627 -0.973 1.00 0.00 C ATOM 0 H ILE A 34 152.996 3.088 0.038 1.00 0.00 H new ATOM 0 HA ILE A 34 154.778 2.675 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 34 151.838 1.919 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.344 0.412 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.171 1.123 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.424 0.126 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.695 1.739 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 34 154.076 0.778 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.820 -1.290 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.426 -0.396 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.616 -1.119 -1.936 1.00 0.00 H new ATOM 520 N LEU A 35 152.041 4.445 -2.768 1.00 0.00 N ATOM 521 CA LEU A 35 151.455 5.417 -3.685 1.00 0.00 C ATOM 522 C LEU A 35 152.430 6.558 -3.954 1.00 0.00 C ATOM 523 O LEU A 35 152.674 6.921 -5.104 1.00 0.00 O ATOM 524 CB LEU A 35 150.148 5.969 -3.111 1.00 0.00 C ATOM 525 CG LEU A 35 149.518 7.111 -3.915 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.182 6.681 -4.503 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.344 8.347 -3.044 1.00 0.00 C ATOM 0 H LEU A 35 151.445 4.202 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 35 151.242 4.912 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.427 5.154 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.334 6.319 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 35 150.190 7.361 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.751 7.506 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.333 5.827 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.503 6.401 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.895 9.147 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.695 8.110 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.317 8.671 -2.674 1.00 0.00 H new ATOM 539 N LEU A 36 152.992 7.115 -2.884 1.00 0.00 N ATOM 540 CA LEU A 36 153.949 8.209 -3.013 1.00 0.00 C ATOM 541 C LEU A 36 155.157 7.765 -3.832 1.00 0.00 C ATOM 542 O LEU A 36 155.366 8.226 -4.952 1.00 0.00 O ATOM 543 CB LEU A 36 154.399 8.688 -1.632 1.00 0.00 C ATOM 544 CG LEU A 36 153.496 9.740 -0.985 1.00 0.00 C ATOM 545 CD1 LEU A 36 153.924 10.000 0.451 1.00 0.00 C ATOM 546 CD2 LEU A 36 153.517 11.029 -1.792 1.00 0.00 C ATOM 0 H LEU A 36 152.802 6.828 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 36 153.460 9.035 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.461 7.826 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.405 9.098 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 36 152.475 9.358 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 36 153.271 10.751 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.856 9.075 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 36 154.953 10.361 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 36 152.869 11.766 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.535 11.415 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 36 153.161 10.831 -2.803 1.00 0.00 H new ATOM 558 N PHE A 37 155.943 6.859 -3.259 1.00 0.00 N ATOM 559 CA PHE A 37 157.135 6.333 -3.922 1.00 0.00 C ATOM 560 C PHE A 37 156.840 5.980 -5.383 1.00 0.00 C ATOM 561 O PHE A 37 157.711 6.085 -6.245 1.00 0.00 O ATOM 562 CB PHE A 37 157.654 5.101 -3.165 1.00 0.00 C ATOM 563 CG PHE A 37 158.426 4.130 -4.018 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.446 4.572 -4.845 1.00 0.00 C ATOM 565 CD2 PHE A 37 158.127 2.777 -3.994 1.00 0.00 C ATOM 566 CE1 PHE A 37 160.154 3.684 -5.632 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.831 1.884 -4.779 1.00 0.00 C ATOM 568 CZ PHE A 37 159.845 2.337 -5.599 1.00 0.00 C ATOM 0 H PHE A 37 155.776 6.471 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 37 157.904 7.105 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.292 5.434 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.807 4.580 -2.718 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.691 5.623 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.335 2.417 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.947 4.042 -6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 37 158.588 0.832 -4.751 1.00 0.00 H new ATOM 0 HZ PHE A 37 160.396 1.640 -6.214 1.00 0.00 H new ATOM 578 N ASN A 38 155.609 5.559 -5.653 1.00 0.00 N ATOM 579 CA ASN A 38 155.210 5.188 -7.006 1.00 0.00 C ATOM 580 C ASN A 38 154.891 6.420 -7.848 1.00 0.00 C ATOM 581 O ASN A 38 155.197 6.464 -9.039 1.00 0.00 O ATOM 582 CB ASN A 38 153.995 4.259 -6.965 1.00 0.00 C ATOM 583 CG ASN A 38 154.387 2.795 -6.936 1.00 0.00 C ATOM 584 OD1 ASN A 38 153.934 2.002 -7.762 1.00 0.00 O ATOM 585 ND2 ASN A 38 155.233 2.427 -5.981 1.00 0.00 N ATOM 0 H ASN A 38 154.872 5.466 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 38 156.048 4.666 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.395 4.489 -6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.368 4.447 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 38 155.532 1.454 -5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 38 155.584 3.117 -5.317 1.00 0.00 H new ATOM 592 N LEU A 39 154.268 7.414 -7.225 1.00 0.00 N ATOM 593 CA LEU A 39 153.900 8.640 -7.916 1.00 0.00 C ATOM 594 C LEU A 39 155.064 9.632 -7.963 1.00 0.00 C ATOM 595 O LEU A 39 155.073 10.548 -8.784 1.00 0.00 O ATOM 596 CB LEU A 39 152.687 9.255 -7.225 1.00 0.00 C ATOM 597 CG LEU A 39 153.010 10.299 -6.169 1.00 0.00 C ATOM 598 CD1 LEU A 39 153.107 11.661 -6.822 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.965 10.279 -5.068 1.00 0.00 C ATOM 0 H LEU A 39 154.007 7.392 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 39 153.648 8.400 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.049 9.711 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.109 8.456 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 39 153.971 10.070 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 39 153.339 12.411 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 39 153.896 11.648 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.157 11.905 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 39 152.211 11.032 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 39 150.985 10.496 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.948 9.295 -4.600 1.00 0.00 H new ATOM 611 N GLN A 40 156.044 9.447 -7.082 1.00 0.00 N ATOM 612 CA GLN A 40 157.202 10.331 -7.037 1.00 0.00 C ATOM 613 C GLN A 40 158.470 9.561 -6.682 1.00 0.00 C ATOM 614 O GLN A 40 158.596 9.016 -5.586 1.00 0.00 O ATOM 615 CB GLN A 40 156.973 11.459 -6.029 1.00 0.00 C ATOM 616 CG GLN A 40 156.560 10.972 -4.650 1.00 0.00 C ATOM 617 CD GLN A 40 156.353 12.110 -3.670 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.292 13.276 -4.060 1.00 0.00 O ATOM 619 NE2 GLN A 40 156.245 11.778 -2.388 1.00 0.00 N ATOM 0 H GLN A 40 156.058 8.695 -6.393 1.00 0.00 H new ATOM 0 HA GLN A 40 157.332 10.762 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.888 12.045 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN A 40 156.203 12.128 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.638 10.396 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 40 157.324 10.298 -4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 40 156.301 10.799 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 40 156.106 12.502 -1.684 1.00 0.00 H new ATOM 628 N PHE A 41 159.406 9.527 -7.623 1.00 0.00 N ATOM 629 CA PHE A 41 160.676 8.833 -7.431 1.00 0.00 C ATOM 630 C PHE A 41 161.626 9.136 -8.584 1.00 0.00 C ATOM 631 O PHE A 41 162.822 9.342 -8.384 1.00 0.00 O ATOM 632 CB PHE A 41 160.449 7.324 -7.322 1.00 0.00 C ATOM 633 CG PHE A 41 161.626 6.581 -6.755 1.00 0.00 C ATOM 634 CD1 PHE A 41 162.020 6.781 -5.442 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.336 5.684 -7.536 1.00 0.00 C ATOM 636 CE1 PHE A 41 163.101 6.098 -4.917 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.419 4.999 -7.016 1.00 0.00 C ATOM 638 CZ PHE A 41 163.801 5.206 -5.705 1.00 0.00 C ATOM 0 H PHE A 41 159.309 9.975 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 41 161.125 9.188 -6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.577 7.140 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.220 6.926 -8.311 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.477 7.478 -4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 41 162.041 5.518 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.398 6.262 -3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.966 4.303 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.646 4.671 -5.297 1.00 0.00 H new ATOM 648 N GLU A 42 161.076 9.175 -9.792 1.00 0.00 N ATOM 649 CA GLU A 42 161.860 9.469 -10.985 1.00 0.00 C ATOM 650 C GLU A 42 162.346 10.914 -10.956 1.00 0.00 C ATOM 651 O GLU A 42 163.428 11.232 -11.447 1.00 0.00 O ATOM 652 CB GLU A 42 161.014 9.231 -12.236 1.00 0.00 C ATOM 653 CG GLU A 42 161.689 9.672 -13.525 1.00 0.00 C ATOM 654 CD GLU A 42 162.903 8.830 -13.868 1.00 0.00 C ATOM 655 OE1 GLU A 42 163.913 8.921 -13.140 1.00 0.00 O ATOM 656 OE2 GLU A 42 162.842 8.080 -14.865 1.00 0.00 O ATOM 0 H GLU A 42 160.086 9.006 -9.971 1.00 0.00 H new ATOM 0 HA GLU A 42 162.726 8.807 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.776 8.170 -12.306 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.069 9.763 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 42 160.971 9.617 -14.343 1.00 0.00 H new ATOM 0 HG3 GLU A 42 161.990 10.716 -13.434 1.00 0.00 H new ATOM 663 N GLU A 43 161.527 11.780 -10.373 1.00 0.00 N ATOM 664 CA GLU A 43 161.851 13.198 -10.269 1.00 0.00 C ATOM 665 C GLU A 43 162.461 13.531 -8.908 1.00 0.00 C ATOM 666 O GLU A 43 163.182 14.519 -8.769 1.00 0.00 O ATOM 667 CB GLU A 43 160.599 14.046 -10.498 1.00 0.00 C ATOM 668 CG GLU A 43 160.886 15.392 -11.143 1.00 0.00 C ATOM 669 CD GLU A 43 159.949 15.699 -12.295 1.00 0.00 C ATOM 670 OE1 GLU A 43 159.960 14.940 -13.288 1.00 0.00 O ATOM 671 OE2 GLU A 43 159.205 16.698 -12.206 1.00 0.00 O ATOM 0 H GLU A 43 160.629 11.524 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 43 162.588 13.428 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 43 159.905 13.491 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.101 14.209 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 43 160.800 16.176 -10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 43 161.915 15.406 -11.503 1.00 0.00 H new ATOM 678 N ARG A 44 162.166 12.708 -7.904 1.00 0.00 N ATOM 679 CA ARG A 44 162.687 12.932 -6.558 1.00 0.00 C ATOM 680 C ARG A 44 163.300 11.657 -5.983 1.00 0.00 C ATOM 681 O ARG A 44 163.083 11.325 -4.818 1.00 0.00 O ATOM 682 CB ARG A 44 161.573 13.434 -5.637 1.00 0.00 C ATOM 683 CG ARG A 44 161.347 14.934 -5.714 1.00 0.00 C ATOM 684 CD ARG A 44 160.428 15.300 -6.868 1.00 0.00 C ATOM 685 NE ARG A 44 159.044 15.472 -6.431 1.00 0.00 N ATOM 686 CZ ARG A 44 158.042 15.787 -7.250 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.266 15.967 -8.546 1.00 0.00 N ATOM 688 NH2 ARG A 44 156.813 15.922 -6.772 1.00 0.00 N ATOM 0 H ARG A 44 161.572 11.884 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 44 163.470 13.688 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.645 12.922 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.814 13.164 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.915 15.287 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 44 162.304 15.442 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.779 16.221 -7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 44 160.474 14.521 -7.629 1.00 0.00 H new ATOM 0 HE ARG A 44 158.833 15.343 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 44 159.210 15.864 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 44 157.495 16.208 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 44 156.635 15.785 -5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 44 156.046 16.163 -7.399 1.00 0.00 H new ATOM 702 N GLY A 45 164.067 10.947 -6.804 1.00 0.00 N ATOM 703 CA GLY A 45 164.695 9.718 -6.352 1.00 0.00 C ATOM 704 C GLY A 45 166.159 9.906 -6.005 1.00 0.00 C ATOM 705 O GLY A 45 166.940 10.391 -6.824 1.00 0.00 O ATOM 0 H GLY A 45 164.265 11.200 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 45 164.163 9.343 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.604 8.960 -7.130 1.00 0.00 H new ATOM 709 N GLY A 46 166.534 9.520 -4.789 1.00 0.00 N ATOM 710 CA GLY A 46 167.913 9.656 -4.362 1.00 0.00 C ATOM 711 C GLY A 46 168.316 8.595 -3.356 1.00 0.00 C ATOM 712 O GLY A 46 167.817 8.577 -2.231 1.00 0.00 O ATOM 0 H GLY A 46 165.907 9.116 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.567 9.595 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 46 168.058 10.643 -3.923 1.00 0.00 H new ATOM 716 N VAL A 47 169.224 7.713 -3.759 1.00 0.00 N ATOM 717 CA VAL A 47 169.699 6.648 -2.883 1.00 0.00 C ATOM 718 C VAL A 47 171.133 6.918 -2.440 1.00 0.00 C ATOM 719 O VAL A 47 172.045 6.976 -3.264 1.00 0.00 O ATOM 720 CB VAL A 47 169.635 5.276 -3.582 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.999 4.161 -2.614 1.00 0.00 C ATOM 722 CG2 VAL A 47 168.254 5.046 -4.176 1.00 0.00 C ATOM 0 H VAL A 47 169.646 7.714 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 47 169.045 6.629 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 47 170.363 5.269 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.947 3.201 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 47 171.011 4.319 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 47 169.300 4.163 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 47 168.226 4.073 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 47 167.507 5.074 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 168.037 5.826 -4.906 1.00 0.00 H new ATOM 732 N GLU A 48 171.325 7.095 -1.137 1.00 0.00 N ATOM 733 CA GLU A 48 172.651 7.373 -0.595 1.00 0.00 C ATOM 734 C GLU A 48 173.168 6.207 0.240 1.00 0.00 C ATOM 735 O GLU A 48 172.405 5.334 0.653 1.00 0.00 O ATOM 736 CB GLU A 48 172.618 8.644 0.254 1.00 0.00 C ATOM 737 CG GLU A 48 171.633 8.578 1.409 1.00 0.00 C ATOM 738 CD GLU A 48 172.110 9.347 2.626 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.209 9.036 3.131 1.00 0.00 O ATOM 740 OE2 GLU A 48 171.384 10.260 3.074 1.00 0.00 O ATOM 0 H GLU A 48 170.583 7.051 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 48 173.330 7.515 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.616 8.833 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.362 9.490 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.672 8.977 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.469 7.536 1.683 1.00 0.00 H new ATOM 747 N PHE A 49 174.474 6.208 0.489 1.00 0.00 N ATOM 748 CA PHE A 49 175.108 5.161 1.281 1.00 0.00 C ATOM 749 C PHE A 49 175.434 5.672 2.680 1.00 0.00 C ATOM 750 O PHE A 49 176.199 6.623 2.841 1.00 0.00 O ATOM 751 CB PHE A 49 176.384 4.673 0.592 1.00 0.00 C ATOM 752 CG PHE A 49 177.047 3.525 1.298 1.00 0.00 C ATOM 753 CD1 PHE A 49 177.886 3.748 2.377 1.00 0.00 C ATOM 754 CD2 PHE A 49 176.830 2.221 0.880 1.00 0.00 C ATOM 755 CE1 PHE A 49 178.497 2.693 3.028 1.00 0.00 C ATOM 756 CE2 PHE A 49 177.439 1.162 1.526 1.00 0.00 C ATOM 757 CZ PHE A 49 178.273 1.398 2.602 1.00 0.00 C ATOM 0 H PHE A 49 175.116 6.926 0.152 1.00 0.00 H new ATOM 0 HA PHE A 49 174.412 4.327 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 49 176.144 4.372 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 49 177.089 5.502 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 49 178.065 4.758 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 49 176.178 2.031 0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 49 179.149 2.881 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 49 177.263 0.151 1.190 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.749 0.572 3.109 1.00 0.00 H new ATOM 767 N VAL A 50 174.846 5.040 3.690 1.00 0.00 N ATOM 768 CA VAL A 50 175.072 5.438 5.075 1.00 0.00 C ATOM 769 C VAL A 50 175.894 4.399 5.833 1.00 0.00 C ATOM 770 O VAL A 50 176.244 3.342 5.292 1.00 0.00 O ATOM 771 CB VAL A 50 173.745 5.677 5.827 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.249 7.095 5.594 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.690 4.663 5.407 1.00 0.00 C ATOM 0 H VAL A 50 174.210 4.251 3.576 1.00 0.00 H new ATOM 0 HA VAL A 50 175.630 6.374 5.035 1.00 0.00 H new ATOM 0 HB VAL A 50 173.931 5.547 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 50 172.313 7.246 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 50 173.993 7.805 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.085 7.253 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 50 171.765 4.854 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.506 4.752 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.043 3.657 5.632 1.00 0.00 H new ATOM 783 N GLU A 51 176.187 4.704 7.096 1.00 0.00 N ATOM 784 CA GLU A 51 176.957 3.810 7.947 1.00 0.00 C ATOM 785 C GLU A 51 176.046 3.095 8.938 1.00 0.00 C ATOM 786 O GLU A 51 174.985 3.602 9.301 1.00 0.00 O ATOM 787 CB GLU A 51 178.035 4.598 8.693 1.00 0.00 C ATOM 788 CG GLU A 51 177.483 5.559 9.735 1.00 0.00 C ATOM 789 CD GLU A 51 178.160 5.411 11.084 1.00 0.00 C ATOM 790 OE1 GLU A 51 179.380 5.668 11.167 1.00 0.00 O ATOM 791 OE2 GLU A 51 177.471 5.037 12.056 1.00 0.00 O ATOM 0 H GLU A 51 175.899 5.570 7.551 1.00 0.00 H new ATOM 0 HA GLU A 51 177.437 3.059 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.712 3.897 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 51 178.626 5.161 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 51 177.607 6.583 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 51 176.413 5.389 9.850 1.00 0.00 H new ATOM 798 N THR A 52 176.460 1.907 9.360 1.00 0.00 N ATOM 799 CA THR A 52 175.678 1.107 10.296 1.00 0.00 C ATOM 800 C THR A 52 175.621 1.755 11.678 1.00 0.00 C ATOM 801 O THR A 52 176.512 2.513 12.060 1.00 0.00 O ATOM 802 CB THR A 52 176.275 -0.295 10.403 1.00 0.00 C ATOM 803 OG1 THR A 52 176.480 -0.852 9.116 1.00 0.00 O ATOM 804 CG2 THR A 52 175.415 -1.262 11.189 1.00 0.00 C ATOM 0 H THR A 52 177.336 1.474 9.068 1.00 0.00 H new ATOM 0 HA THR A 52 174.659 1.044 9.914 1.00 0.00 H new ATOM 0 HB THR A 52 177.218 -0.163 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.389 -1.214 9.057 1.00 0.00 H new ATOM 0 HG21 THR A 52 175.902 -2.237 11.223 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.281 -0.888 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.442 -1.359 10.707 1.00 0.00 H new ATOM 812 N ALA A 53 174.568 1.433 12.427 1.00 0.00 N ATOM 813 CA ALA A 53 174.388 1.962 13.775 1.00 0.00 C ATOM 814 C ALA A 53 175.256 1.188 14.764 1.00 0.00 C ATOM 815 O ALA A 53 176.288 0.632 14.388 1.00 0.00 O ATOM 816 CB ALA A 53 172.918 1.885 14.175 1.00 0.00 C ATOM 0 H ALA A 53 173.824 0.806 12.120 1.00 0.00 H new ATOM 0 HA ALA A 53 174.697 3.007 13.791 1.00 0.00 H new ATOM 0 HB1 ALA A 53 172.794 2.282 15.182 1.00 0.00 H new ATOM 0 HB2 ALA A 53 172.320 2.471 13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 53 172.588 0.846 14.151 1.00 0.00 H new ATOM 822 N ASP A 54 174.831 1.136 16.023 1.00 0.00 N ATOM 823 CA ASP A 54 175.572 0.409 17.038 1.00 0.00 C ATOM 824 C ASP A 54 175.113 -1.044 17.069 1.00 0.00 C ATOM 825 O ASP A 54 175.933 -1.962 17.098 1.00 0.00 O ATOM 826 CB ASP A 54 175.376 1.056 18.411 1.00 0.00 C ATOM 827 CG ASP A 54 176.689 1.287 19.135 1.00 0.00 C ATOM 828 OD1 ASP A 54 177.711 1.510 18.453 1.00 0.00 O ATOM 829 OD2 ASP A 54 176.694 1.244 20.383 1.00 0.00 O ATOM 0 H ASP A 54 173.981 1.588 16.360 1.00 0.00 H new ATOM 0 HA ASP A 54 176.633 0.443 16.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 174.859 2.008 18.290 1.00 0.00 H new ATOM 0 HB3 ASP A 54 174.735 0.420 19.021 1.00 0.00 H new ATOM 834 N ASP A 55 173.796 -1.251 17.063 1.00 0.00 N ATOM 835 CA ASP A 55 173.236 -2.601 17.092 1.00 0.00 C ATOM 836 C ASP A 55 171.782 -2.604 16.618 1.00 0.00 C ATOM 837 O ASP A 55 171.369 -3.499 15.886 1.00 0.00 O ATOM 838 CB ASP A 55 173.326 -3.184 18.504 1.00 0.00 C ATOM 839 CG ASP A 55 172.660 -2.300 19.540 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.206 -1.216 19.834 1.00 0.00 O ATOM 841 OD2 ASP A 55 171.594 -2.693 20.058 1.00 0.00 O ATOM 0 H ASP A 55 173.101 -0.505 17.038 1.00 0.00 H new ATOM 0 HA ASP A 55 173.820 -3.221 16.412 1.00 0.00 H new ATOM 0 HB2 ASP A 55 172.859 -4.169 18.517 1.00 0.00 H new ATOM 0 HB3 ASP A 55 174.374 -3.324 18.770 1.00 0.00 H new ATOM 846 N TRP A 56 171.021 -1.597 17.055 1.00 0.00 N ATOM 847 CA TRP A 56 169.604 -1.437 16.706 1.00 0.00 C ATOM 848 C TRP A 56 168.927 -2.739 16.286 1.00 0.00 C ATOM 849 O TRP A 56 169.244 -3.322 15.249 1.00 0.00 O ATOM 850 CB TRP A 56 169.428 -0.381 15.613 1.00 0.00 C ATOM 851 CG TRP A 56 170.192 -0.636 14.353 1.00 0.00 C ATOM 852 CD1 TRP A 56 171.541 -0.781 14.213 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.636 -0.749 13.043 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.856 -0.971 12.888 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.700 -0.960 12.151 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.336 -0.693 12.541 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.501 -1.113 10.782 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.136 -0.847 11.185 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.213 -1.055 10.317 1.00 0.00 C ATOM 0 H TRP A 56 171.374 -0.861 17.667 1.00 0.00 H new ATOM 0 HA TRP A 56 169.110 -1.107 17.620 1.00 0.00 H new ATOM 0 HB2 TRP A 56 168.368 -0.308 15.368 1.00 0.00 H new ATOM 0 HB3 TRP A 56 169.730 0.587 16.013 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.255 -0.751 15.022 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.796 -1.099 12.514 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.499 -0.532 13.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 171.332 -1.272 10.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.133 -0.806 10.787 1.00 0.00 H new ATOM 0 HH2 TRP A 56 169.026 -1.172 9.260 1.00 0.00 H new ATOM 870 N GLU A 57 167.966 -3.166 17.093 1.00 0.00 N ATOM 871 CA GLU A 57 167.201 -4.380 16.829 1.00 0.00 C ATOM 872 C GLU A 57 165.729 -4.155 17.174 1.00 0.00 C ATOM 873 O GLU A 57 164.976 -5.108 17.376 1.00 0.00 O ATOM 874 CB GLU A 57 167.754 -5.536 17.664 1.00 0.00 C ATOM 875 CG GLU A 57 167.842 -5.222 19.149 1.00 0.00 C ATOM 876 CD GLU A 57 167.410 -6.387 20.018 1.00 0.00 C ATOM 877 OE1 GLU A 57 168.022 -7.470 19.906 1.00 0.00 O ATOM 878 OE2 GLU A 57 166.460 -6.216 20.810 1.00 0.00 O ATOM 0 H GLU A 57 167.694 -2.682 17.949 1.00 0.00 H new ATOM 0 HA GLU A 57 167.287 -4.628 15.771 1.00 0.00 H new ATOM 0 HB2 GLU A 57 167.121 -6.412 17.523 1.00 0.00 H new ATOM 0 HB3 GLU A 57 168.746 -5.798 17.296 1.00 0.00 H new ATOM 0 HG2 GLU A 57 168.867 -4.948 19.398 1.00 0.00 H new ATOM 0 HG3 GLU A 57 167.218 -4.357 19.371 1.00 0.00 H new ATOM 885 N GLU A 58 165.329 -2.885 17.253 1.00 0.00 N ATOM 886 CA GLU A 58 163.955 -2.532 17.588 1.00 0.00 C ATOM 887 C GLU A 58 163.127 -2.263 16.336 1.00 0.00 C ATOM 888 O GLU A 58 161.909 -2.444 16.342 1.00 0.00 O ATOM 889 CB GLU A 58 163.932 -1.304 18.500 1.00 0.00 C ATOM 890 CG GLU A 58 164.526 -1.558 19.876 1.00 0.00 C ATOM 891 CD GLU A 58 163.465 -1.748 20.943 1.00 0.00 C ATOM 892 OE1 GLU A 58 163.039 -2.902 21.159 1.00 0.00 O ATOM 893 OE2 GLU A 58 163.061 -0.742 21.563 1.00 0.00 O ATOM 0 H GLU A 58 165.940 -2.085 17.089 1.00 0.00 H new ATOM 0 HA GLU A 58 163.513 -3.380 18.111 1.00 0.00 H new ATOM 0 HB2 GLU A 58 164.482 -0.495 18.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 162.902 -0.966 18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 58 165.159 -2.444 19.836 1.00 0.00 H new ATOM 0 HG3 GLU A 58 165.167 -0.720 20.151 1.00 0.00 H new ATOM 900 N GLU A 59 163.786 -1.842 15.259 1.00 0.00 N ATOM 901 CA GLU A 59 163.086 -1.568 14.007 1.00 0.00 C ATOM 902 C GLU A 59 163.054 -2.819 13.138 1.00 0.00 C ATOM 903 O GLU A 59 161.994 -3.412 12.939 1.00 0.00 O ATOM 904 CB GLU A 59 163.728 -0.404 13.238 1.00 0.00 C ATOM 905 CG GLU A 59 165.187 -0.154 13.577 1.00 0.00 C ATOM 906 CD GLU A 59 165.361 0.656 14.846 1.00 0.00 C ATOM 907 OE1 GLU A 59 165.266 1.900 14.774 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.593 0.048 15.912 1.00 0.00 O ATOM 0 H GLU A 59 164.793 -1.684 15.227 1.00 0.00 H new ATOM 0 HA GLU A 59 162.066 -1.276 14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 59 163.645 -0.602 12.169 1.00 0.00 H new ATOM 0 HB3 GLU A 59 163.161 0.505 13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.699 -1.110 13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.664 0.369 12.748 1.00 0.00 H new ATOM 915 N ILE A 60 164.215 -3.235 12.635 1.00 0.00 N ATOM 916 CA ILE A 60 164.298 -4.431 11.809 1.00 0.00 C ATOM 917 C ILE A 60 163.899 -5.661 12.613 1.00 0.00 C ATOM 918 O ILE A 60 163.181 -6.534 12.125 1.00 0.00 O ATOM 919 CB ILE A 60 165.731 -4.635 11.274 1.00 0.00 C ATOM 920 CG1 ILE A 60 166.713 -4.752 12.445 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.121 -3.491 10.349 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.156 -4.911 12.025 1.00 0.00 C ATOM 0 H ILE A 60 165.106 -2.762 12.786 1.00 0.00 H new ATOM 0 HA ILE A 60 163.615 -4.298 10.970 1.00 0.00 H new ATOM 0 HB ILE A 60 165.767 -5.560 10.698 1.00 0.00 H new ATOM 0 HG12 ILE A 60 166.623 -3.864 13.071 1.00 0.00 H new ATOM 0 HG13 ILE A 60 166.428 -5.606 13.060 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.134 -3.650 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.430 -3.453 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.078 -2.550 10.897 1.00 0.00 H new ATOM 0 HD11 ILE A 60 168.787 -4.987 12.911 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.263 -5.815 11.425 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.461 -4.046 11.436 1.00 0.00 H new ATOM 934 N GLY A 61 164.380 -5.721 13.851 1.00 0.00 N ATOM 935 CA GLY A 61 164.077 -6.842 14.714 1.00 0.00 C ATOM 936 C GLY A 61 165.315 -7.425 15.373 1.00 0.00 C ATOM 937 O GLY A 61 165.432 -7.418 16.598 1.00 0.00 O ATOM 0 H GLY A 61 164.977 -5.008 14.271 1.00 0.00 H new ATOM 0 HA2 GLY A 61 163.376 -6.523 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 61 163.580 -7.619 14.133 1.00 0.00 H new ATOM 941 N VAL A 62 166.224 -7.964 14.563 1.00 0.00 N ATOM 942 CA VAL A 62 167.444 -8.593 15.072 1.00 0.00 C ATOM 943 C VAL A 62 168.539 -7.582 15.395 1.00 0.00 C ATOM 944 O VAL A 62 168.369 -6.378 15.214 1.00 0.00 O ATOM 945 CB VAL A 62 168.017 -9.619 14.067 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.408 -10.993 14.297 1.00 0.00 C ATOM 947 CG2 VAL A 62 167.798 -9.166 12.629 1.00 0.00 C ATOM 0 H VAL A 62 166.139 -7.978 13.547 1.00 0.00 H new ATOM 0 HA VAL A 62 167.145 -9.095 15.992 1.00 0.00 H new ATOM 0 HB VAL A 62 169.092 -9.686 14.235 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.824 -11.700 13.580 1.00 0.00 H new ATOM 0 HG12 VAL A 62 167.635 -11.327 15.309 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.327 -10.938 14.167 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.212 -9.908 11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 62 166.730 -9.056 12.441 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.295 -8.209 12.469 1.00 0.00 H new ATOM 957 N LEU A 63 169.674 -8.103 15.860 1.00 0.00 N ATOM 958 CA LEU A 63 170.824 -7.278 16.207 1.00 0.00 C ATOM 959 C LEU A 63 171.576 -6.827 14.960 1.00 0.00 C ATOM 960 O LEU A 63 171.317 -7.311 13.857 1.00 0.00 O ATOM 961 CB LEU A 63 171.766 -8.043 17.147 1.00 0.00 C ATOM 962 CG LEU A 63 172.128 -9.482 16.737 1.00 0.00 C ATOM 963 CD1 LEU A 63 171.126 -10.472 17.313 1.00 0.00 C ATOM 964 CD2 LEU A 63 172.216 -9.627 15.223 1.00 0.00 C ATOM 0 H LEU A 63 169.819 -9.102 16.005 1.00 0.00 H new ATOM 0 HA LEU A 63 170.457 -6.389 16.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.690 -7.473 17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 63 171.309 -8.075 18.136 1.00 0.00 H new ATOM 0 HG LEU A 63 173.113 -9.705 17.148 1.00 0.00 H new ATOM 0 HD11 LEU A 63 171.399 -11.483 17.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 171.131 -10.403 18.401 1.00 0.00 H new ATOM 0 HD13 LEU A 63 170.129 -10.239 16.939 1.00 0.00 H new ATOM 0 HD21 LEU A 63 172.473 -10.656 14.970 1.00 0.00 H new ATOM 0 HD22 LEU A 63 171.254 -9.373 14.777 1.00 0.00 H new ATOM 0 HD23 LEU A 63 172.983 -8.956 14.837 1.00 0.00 H new ATOM 976 N ILE A 64 172.498 -5.888 15.139 1.00 0.00 N ATOM 977 CA ILE A 64 173.275 -5.361 14.026 1.00 0.00 C ATOM 978 C ILE A 64 174.755 -5.256 14.374 1.00 0.00 C ATOM 979 O ILE A 64 175.121 -4.957 15.511 1.00 0.00 O ATOM 980 CB ILE A 64 172.744 -3.977 13.606 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.278 -4.094 13.190 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.576 -3.381 12.481 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.084 -4.791 11.862 1.00 0.00 C ATOM 0 H ILE A 64 172.725 -5.477 16.044 1.00 0.00 H new ATOM 0 HA ILE A 64 173.168 -6.059 13.196 1.00 0.00 H new ATOM 0 HB ILE A 64 172.822 -3.304 14.460 1.00 0.00 H new ATOM 0 HG12 ILE A 64 170.732 -4.638 13.961 1.00 0.00 H new ATOM 0 HG13 ILE A 64 170.843 -3.096 13.135 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.174 -2.405 12.209 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.608 -3.269 12.812 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.542 -4.041 11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.020 -4.839 11.628 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.602 -4.235 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.489 -5.801 11.919 1.00 0.00 H new ATOM 995 N ASP A 65 175.600 -5.495 13.377 1.00 0.00 N ATOM 996 CA ASP A 65 177.043 -5.422 13.555 1.00 0.00 C ATOM 997 C ASP A 65 177.641 -4.395 12.597 1.00 0.00 C ATOM 998 O ASP A 65 177.714 -4.635 11.392 1.00 0.00 O ATOM 999 CB ASP A 65 177.679 -6.793 13.313 1.00 0.00 C ATOM 1000 CG ASP A 65 177.215 -7.831 14.317 1.00 0.00 C ATOM 1001 OD1 ASP A 65 176.072 -7.713 14.807 1.00 0.00 O ATOM 1002 OD2 ASP A 65 177.994 -8.762 14.611 1.00 0.00 O ATOM 0 H ASP A 65 175.307 -5.742 12.432 1.00 0.00 H new ATOM 0 HA ASP A 65 177.251 -5.114 14.580 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.435 -7.131 12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 65 178.764 -6.701 13.364 1.00 0.00 H new ATOM 1007 N PRO A 66 178.074 -3.230 13.111 1.00 0.00 N ATOM 1008 CA PRO A 66 178.658 -2.179 12.274 1.00 0.00 C ATOM 1009 C PRO A 66 179.957 -2.625 11.618 1.00 0.00 C ATOM 1010 O PRO A 66 180.663 -3.488 12.137 1.00 0.00 O ATOM 1011 CB PRO A 66 178.912 -1.028 13.250 1.00 0.00 C ATOM 1012 CG PRO A 66 178.972 -1.671 14.593 1.00 0.00 C ATOM 1013 CD PRO A 66 178.030 -2.841 14.531 1.00 0.00 C ATOM 0 HA PRO A 66 178.000 -1.905 11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 66 179.843 -0.511 13.018 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.115 -0.286 13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 66 179.986 -1.997 14.825 1.00 0.00 H new ATOM 0 HG3 PRO A 66 178.676 -0.972 15.375 1.00 0.00 H new ATOM 0 HD2 PRO A 66 178.353 -3.654 15.182 1.00 0.00 H new ATOM 0 HD3 PRO A 66 177.023 -2.565 14.842 1.00 0.00 H new ATOM 1021 N GLU A 67 180.260 -2.039 10.463 1.00 0.00 N ATOM 1022 CA GLU A 67 181.470 -2.380 9.718 1.00 0.00 C ATOM 1023 C GLU A 67 181.356 -3.762 9.070 1.00 0.00 C ATOM 1024 O GLU A 67 182.252 -4.186 8.339 1.00 0.00 O ATOM 1025 CB GLU A 67 182.699 -2.326 10.632 1.00 0.00 C ATOM 1026 CG GLU A 67 183.726 -1.288 10.208 1.00 0.00 C ATOM 1027 CD GLU A 67 184.713 -0.962 11.312 1.00 0.00 C ATOM 1028 OE1 GLU A 67 184.266 -0.676 12.442 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.933 -0.991 11.045 1.00 0.00 O ATOM 0 H GLU A 67 179.683 -1.324 10.021 1.00 0.00 H new ATOM 0 HA GLU A 67 181.587 -1.642 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.375 -2.110 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.172 -3.308 10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 67 184.269 -1.654 9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.212 -0.376 9.904 1.00 0.00 H new ATOM 1036 N GLU A 68 180.253 -4.459 9.337 1.00 0.00 N ATOM 1037 CA GLU A 68 180.028 -5.783 8.777 1.00 0.00 C ATOM 1038 C GLU A 68 178.949 -5.743 7.697 1.00 0.00 C ATOM 1039 O GLU A 68 178.823 -6.673 6.900 1.00 0.00 O ATOM 1040 CB GLU A 68 179.628 -6.758 9.885 1.00 0.00 C ATOM 1041 CG GLU A 68 180.791 -7.173 10.766 1.00 0.00 C ATOM 1042 CD GLU A 68 180.352 -7.979 11.973 1.00 0.00 C ATOM 1043 OE1 GLU A 68 179.442 -8.822 11.823 1.00 0.00 O ATOM 1044 OE2 GLU A 68 180.917 -7.768 13.066 1.00 0.00 O ATOM 0 H GLU A 68 179.501 -4.124 9.940 1.00 0.00 H new ATOM 0 HA GLU A 68 180.956 -6.124 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 68 178.858 -6.298 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.186 -7.647 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.495 -7.761 10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 68 181.322 -6.283 11.102 1.00 0.00 H new ATOM 1051 N TYR A 69 178.172 -4.662 7.676 1.00 0.00 N ATOM 1052 CA TYR A 69 177.106 -4.507 6.692 1.00 0.00 C ATOM 1053 C TYR A 69 177.066 -3.085 6.145 1.00 0.00 C ATOM 1054 O TYR A 69 177.359 -2.125 6.858 1.00 0.00 O ATOM 1055 CB TYR A 69 175.750 -4.852 7.310 1.00 0.00 C ATOM 1056 CG TYR A 69 175.729 -6.173 8.043 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.636 -7.373 7.350 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.798 -6.220 9.430 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.613 -8.581 8.017 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.776 -7.425 10.105 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.684 -8.603 9.394 1.00 0.00 C ATOM 1062 OH TYR A 69 175.661 -9.806 10.062 1.00 0.00 O ATOM 0 H TYR A 69 178.261 -3.883 8.328 1.00 0.00 H new ATOM 0 HA TYR A 69 177.314 -5.193 5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.465 -4.059 8.002 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.997 -4.873 6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.581 -7.361 6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 69 175.870 -5.299 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.540 -9.505 7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 69 175.831 -7.444 11.183 1.00 0.00 H new ATOM 0 HH TYR A 69 175.720 -9.646 11.027 1.00 0.00 H new ATOM 1072 N ALA A 70 176.690 -2.958 4.877 1.00 0.00 N ATOM 1073 CA ALA A 70 176.597 -1.653 4.235 1.00 0.00 C ATOM 1074 C ALA A 70 175.181 -1.100 4.348 1.00 0.00 C ATOM 1075 O ALA A 70 174.206 -1.834 4.173 1.00 0.00 O ATOM 1076 CB ALA A 70 177.019 -1.752 2.775 1.00 0.00 C ATOM 0 H ALA A 70 176.445 -3.743 4.274 1.00 0.00 H new ATOM 0 HA ALA A 70 177.273 -0.966 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.945 -0.770 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 70 178.049 -2.105 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 70 176.366 -2.452 2.254 1.00 0.00 H new ATOM 1082 N GLU A 71 175.072 0.194 4.644 1.00 0.00 N ATOM 1083 CA GLU A 71 173.768 0.830 4.780 1.00 0.00 C ATOM 1084 C GLU A 71 173.476 1.746 3.601 1.00 0.00 C ATOM 1085 O GLU A 71 174.293 2.589 3.232 1.00 0.00 O ATOM 1086 CB GLU A 71 173.687 1.627 6.085 1.00 0.00 C ATOM 1087 CG GLU A 71 174.093 0.844 7.324 1.00 0.00 C ATOM 1088 CD GLU A 71 172.905 0.333 8.115 1.00 0.00 C ATOM 1089 OE1 GLU A 71 171.760 0.700 7.776 1.00 0.00 O ATOM 1090 OE2 GLU A 71 173.121 -0.431 9.079 1.00 0.00 O ATOM 0 H GLU A 71 175.866 0.817 4.793 1.00 0.00 H new ATOM 0 HA GLU A 71 173.018 0.039 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.326 2.506 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 71 172.666 1.986 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 71 174.715 -0.000 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 71 174.704 1.480 7.965 1.00 0.00 H new ATOM 1097 N VAL A 72 172.295 1.576 3.025 1.00 0.00 N ATOM 1098 CA VAL A 72 171.861 2.384 1.898 1.00 0.00 C ATOM 1099 C VAL A 72 170.421 2.833 2.112 1.00 0.00 C ATOM 1100 O VAL A 72 169.490 2.032 2.019 1.00 0.00 O ATOM 1101 CB VAL A 72 171.972 1.610 0.567 1.00 0.00 C ATOM 1102 CG1 VAL A 72 171.027 0.427 0.553 1.00 0.00 C ATOM 1103 CG2 VAL A 72 171.708 2.531 -0.614 1.00 0.00 C ATOM 0 H VAL A 72 171.615 0.878 3.325 1.00 0.00 H new ATOM 0 HA VAL A 72 172.516 3.253 1.837 1.00 0.00 H new ATOM 0 HB VAL A 72 172.989 1.229 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 72 171.122 -0.104 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 72 171.275 -0.247 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.002 0.779 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 72 171.791 1.966 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 72 170.705 2.949 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 72 172.439 3.340 -0.615 1.00 0.00 H new ATOM 1113 N TRP A 73 170.240 4.108 2.424 1.00 0.00 N ATOM 1114 CA TRP A 73 168.910 4.638 2.675 1.00 0.00 C ATOM 1115 C TRP A 73 168.262 5.139 1.392 1.00 0.00 C ATOM 1116 O TRP A 73 168.910 5.773 0.557 1.00 0.00 O ATOM 1117 CB TRP A 73 168.978 5.760 3.713 1.00 0.00 C ATOM 1118 CG TRP A 73 168.885 5.257 5.122 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.245 4.020 5.574 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.398 5.975 6.262 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.001 3.921 6.922 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.482 5.108 7.367 1.00 0.00 C ATOM 1123 CE3 TRP A 73 167.896 7.265 6.455 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.082 5.488 8.645 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 167.501 7.643 7.725 1.00 0.00 C ATOM 1126 CH2 TRP A 73 167.595 6.756 8.805 1.00 0.00 C ATOM 0 H TRP A 73 170.993 4.790 2.509 1.00 0.00 H new ATOM 0 HA TRP A 73 168.292 3.830 3.066 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.913 6.307 3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.168 6.467 3.531 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.661 3.234 4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.177 3.098 7.498 1.00 0.00 H new ATOM 0 HE3 TRP A 73 167.818 7.954 5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.154 4.806 9.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 167.114 8.638 7.887 1.00 0.00 H new ATOM 0 HH2 TRP A 73 167.276 7.080 9.785 1.00 0.00 H new ATOM 1137 N VAL A 74 166.972 4.851 1.250 1.00 0.00 N ATOM 1138 CA VAL A 74 166.215 5.268 0.080 1.00 0.00 C ATOM 1139 C VAL A 74 165.044 6.150 0.490 1.00 0.00 C ATOM 1140 O VAL A 74 164.106 5.693 1.140 1.00 0.00 O ATOM 1141 CB VAL A 74 165.681 4.059 -0.710 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.987 4.519 -1.984 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.809 3.086 -1.025 1.00 0.00 C ATOM 0 H VAL A 74 166.429 4.327 1.936 1.00 0.00 H new ATOM 0 HA VAL A 74 166.895 5.830 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 74 164.948 3.539 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.616 3.651 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 74 164.152 5.171 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.695 5.064 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.413 2.238 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.569 3.591 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.254 2.732 -0.095 1.00 0.00 H new ATOM 1153 N GLY A 75 165.116 7.419 0.115 1.00 0.00 N ATOM 1154 CA GLY A 75 164.063 8.353 0.463 1.00 0.00 C ATOM 1155 C GLY A 75 163.471 9.050 -0.743 1.00 0.00 C ATOM 1156 O GLY A 75 163.032 8.403 -1.693 1.00 0.00 O ATOM 0 H GLY A 75 165.884 7.819 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.273 7.821 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.460 9.101 1.150 1.00 0.00 H new ATOM 1160 N LEU A 76 163.466 10.377 -0.703 1.00 0.00 N ATOM 1161 CA LEU A 76 162.929 11.177 -1.800 1.00 0.00 C ATOM 1162 C LEU A 76 163.723 12.473 -1.941 1.00 0.00 C ATOM 1163 O LEU A 76 163.185 13.570 -1.789 1.00 0.00 O ATOM 1164 CB LEU A 76 161.435 11.476 -1.576 1.00 0.00 C ATOM 1165 CG LEU A 76 160.505 11.117 -2.742 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.847 9.749 -3.316 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.055 11.153 -2.284 1.00 0.00 C ATOM 0 H LEU A 76 163.828 10.924 0.078 1.00 0.00 H new ATOM 0 HA LEU A 76 163.023 10.608 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.103 10.934 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.324 12.539 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 76 160.646 11.856 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.172 9.521 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.875 9.753 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.740 8.992 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.403 10.897 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.910 10.435 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.811 12.154 -1.927 1.00 0.00 H new ATOM 1179 N VAL A 77 165.014 12.330 -2.225 1.00 0.00 N ATOM 1180 CA VAL A 77 165.904 13.473 -2.382 1.00 0.00 C ATOM 1181 C VAL A 77 165.408 14.427 -3.464 1.00 0.00 C ATOM 1182 O VAL A 77 164.626 14.045 -4.335 1.00 0.00 O ATOM 1183 CB VAL A 77 167.335 13.018 -2.729 1.00 0.00 C ATOM 1184 CG1 VAL A 77 168.291 14.201 -2.735 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.804 11.949 -1.754 1.00 0.00 C ATOM 0 H VAL A 77 165.469 11.426 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 77 165.913 13.998 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 77 167.325 12.588 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 77 169.295 13.856 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.964 14.929 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 77 168.300 14.667 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.816 11.639 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 77 167.796 12.352 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 77 167.136 11.089 -1.808 1.00 0.00 H new ATOM 1195 N ASN A 78 165.875 15.669 -3.401 1.00 0.00 N ATOM 1196 CA ASN A 78 165.491 16.688 -4.373 1.00 0.00 C ATOM 1197 C ASN A 78 166.657 17.001 -5.308 1.00 0.00 C ATOM 1198 O ASN A 78 167.673 16.305 -5.299 1.00 0.00 O ATOM 1199 CB ASN A 78 165.018 17.967 -3.666 1.00 0.00 C ATOM 1200 CG ASN A 78 165.650 18.160 -2.299 1.00 0.00 C ATOM 1201 OD1 ASN A 78 166.744 17.663 -2.031 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.960 18.885 -1.426 1.00 0.00 N ATOM 0 H ASN A 78 166.523 15.996 -2.684 1.00 0.00 H new ATOM 0 HA ASN A 78 164.663 16.297 -4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.251 18.828 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 78 163.934 17.935 -3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 78 165.333 19.049 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 78 164.057 19.278 -1.691 1.00 0.00 H new ATOM 1209 N GLU A 79 166.508 18.047 -6.114 1.00 0.00 N ATOM 1210 CA GLU A 79 167.553 18.442 -7.052 1.00 0.00 C ATOM 1211 C GLU A 79 168.820 18.852 -6.310 1.00 0.00 C ATOM 1212 O GLU A 79 169.931 18.671 -6.808 1.00 0.00 O ATOM 1213 CB GLU A 79 167.067 19.594 -7.934 1.00 0.00 C ATOM 1214 CG GLU A 79 166.609 20.810 -7.147 1.00 0.00 C ATOM 1215 CD GLU A 79 165.107 20.840 -6.942 1.00 0.00 C ATOM 1216 OE1 GLU A 79 164.377 21.044 -7.934 1.00 0.00 O ATOM 1217 OE2 GLU A 79 164.661 20.661 -5.789 1.00 0.00 O ATOM 0 H GLU A 79 165.675 18.636 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 79 167.785 17.584 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.871 19.889 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 79 166.244 19.242 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.105 20.818 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.919 21.715 -7.670 1.00 0.00 H new ATOM 1224 N GLN A 80 168.641 19.405 -5.117 1.00 0.00 N ATOM 1225 CA GLN A 80 169.765 19.845 -4.296 1.00 0.00 C ATOM 1226 C GLN A 80 170.572 18.656 -3.773 1.00 0.00 C ATOM 1227 O GLN A 80 171.673 18.829 -3.249 1.00 0.00 O ATOM 1228 CB GLN A 80 169.261 20.690 -3.125 1.00 0.00 C ATOM 1229 CG GLN A 80 168.125 20.041 -2.351 1.00 0.00 C ATOM 1230 CD GLN A 80 167.697 20.860 -1.149 1.00 0.00 C ATOM 1231 OE1 GLN A 80 166.516 21.159 -0.976 1.00 0.00 O ATOM 1232 NE2 GLN A 80 168.659 21.227 -0.310 1.00 0.00 N ATOM 0 H GLN A 80 167.726 19.560 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 80 170.421 20.449 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.090 20.883 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 80 168.927 21.656 -3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 80 167.271 19.902 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.436 19.050 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 80 169.625 20.957 -0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 80 168.431 21.779 0.517 1.00 0.00 H new ATOM 1241 N ASP A 81 170.021 17.450 -3.915 1.00 0.00 N ATOM 1242 CA ASP A 81 170.693 16.235 -3.456 1.00 0.00 C ATOM 1243 C ASP A 81 170.618 16.107 -1.938 1.00 0.00 C ATOM 1244 O ASP A 81 171.532 15.580 -1.304 1.00 0.00 O ATOM 1245 CB ASP A 81 172.156 16.221 -3.912 1.00 0.00 C ATOM 1246 CG ASP A 81 172.600 14.849 -4.381 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.917 14.269 -5.250 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.633 14.356 -3.880 1.00 0.00 O ATOM 0 H ASP A 81 169.110 17.289 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 81 170.178 15.383 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.289 16.940 -4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.794 16.545 -3.090 1.00 0.00 H new ATOM 1253 N GLU A 82 169.520 16.586 -1.363 1.00 0.00 N ATOM 1254 CA GLU A 82 169.319 16.519 0.081 1.00 0.00 C ATOM 1255 C GLU A 82 168.117 15.641 0.413 1.00 0.00 C ATOM 1256 O GLU A 82 167.040 15.807 -0.161 1.00 0.00 O ATOM 1257 CB GLU A 82 169.115 17.923 0.655 1.00 0.00 C ATOM 1258 CG GLU A 82 170.407 18.593 1.097 1.00 0.00 C ATOM 1259 CD GLU A 82 170.501 18.744 2.603 1.00 0.00 C ATOM 1260 OE1 GLU A 82 169.681 19.491 3.177 1.00 0.00 O ATOM 1261 OE2 GLU A 82 171.395 18.116 3.208 1.00 0.00 O ATOM 0 H GLU A 82 168.755 17.025 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 82 170.209 16.079 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.630 18.547 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 82 168.437 17.864 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 82 171.255 18.008 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.480 19.576 0.632 1.00 0.00 H new ATOM 1268 N MET A 83 168.303 14.704 1.338 1.00 0.00 N ATOM 1269 CA MET A 83 167.228 13.803 1.735 1.00 0.00 C ATOM 1270 C MET A 83 166.634 14.219 3.076 1.00 0.00 C ATOM 1271 O MET A 83 167.342 14.308 4.080 1.00 0.00 O ATOM 1272 CB MET A 83 167.745 12.365 1.816 1.00 0.00 C ATOM 1273 CG MET A 83 166.651 11.317 1.683 1.00 0.00 C ATOM 1274 SD MET A 83 167.199 9.673 2.184 1.00 0.00 S ATOM 1275 CE MET A 83 167.984 9.101 0.679 1.00 0.00 C ATOM 0 H MET A 83 169.186 14.550 1.825 1.00 0.00 H new ATOM 0 HA MET A 83 166.444 13.859 0.980 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.484 12.209 1.030 1.00 0.00 H new ATOM 0 HB3 MET A 83 168.257 12.225 2.768 1.00 0.00 H new ATOM 0 HG2 MET A 83 165.795 11.611 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.310 11.282 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.405 8.109 0.843 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.246 9.054 -0.121 1.00 0.00 H new ATOM 0 HE3 MET A 83 168.780 9.791 0.399 1.00 0.00 H new ATOM 1285 N ASP A 84 165.330 14.468 3.085 1.00 0.00 N ATOM 1286 CA ASP A 84 164.635 14.872 4.305 1.00 0.00 C ATOM 1287 C ASP A 84 163.663 13.789 4.767 1.00 0.00 C ATOM 1288 O ASP A 84 163.260 13.762 5.930 1.00 0.00 O ATOM 1289 CB ASP A 84 163.882 16.190 4.089 1.00 0.00 C ATOM 1290 CG ASP A 84 164.650 17.166 3.218 1.00 0.00 C ATOM 1291 OD1 ASP A 84 165.872 17.312 3.426 1.00 0.00 O ATOM 1292 OD2 ASP A 84 164.028 17.785 2.329 1.00 0.00 O ATOM 0 H ASP A 84 164.731 14.398 2.262 1.00 0.00 H new ATOM 0 HA ASP A 84 165.387 15.017 5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 84 162.916 15.981 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 84 163.681 16.652 5.056 1.00 0.00 H new ATOM 1297 N ASP A 85 163.290 12.898 3.853 1.00 0.00 N ATOM 1298 CA ASP A 85 162.367 11.816 4.173 1.00 0.00 C ATOM 1299 C ASP A 85 162.898 10.481 3.660 1.00 0.00 C ATOM 1300 O ASP A 85 163.320 10.371 2.508 1.00 0.00 O ATOM 1301 CB ASP A 85 160.987 12.099 3.572 1.00 0.00 C ATOM 1302 CG ASP A 85 159.917 12.257 4.635 1.00 0.00 C ATOM 1303 OD1 ASP A 85 159.599 11.256 5.311 1.00 0.00 O ATOM 1304 OD2 ASP A 85 159.395 13.381 4.789 1.00 0.00 O ATOM 0 H ASP A 85 163.613 12.905 2.886 1.00 0.00 H new ATOM 0 HA ASP A 85 162.275 11.757 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.035 13.006 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 85 160.712 11.285 2.901 1.00 0.00 H new ATOM 1309 N VAL A 86 162.872 9.469 4.523 1.00 0.00 N ATOM 1310 CA VAL A 86 163.349 8.138 4.159 1.00 0.00 C ATOM 1311 C VAL A 86 162.175 7.199 3.896 1.00 0.00 C ATOM 1312 O VAL A 86 161.140 7.283 4.556 1.00 0.00 O ATOM 1313 CB VAL A 86 164.283 7.534 5.251 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.447 8.488 6.426 1.00 0.00 C ATOM 1315 CG2 VAL A 86 163.781 6.178 5.736 1.00 0.00 C ATOM 0 H VAL A 86 162.526 9.545 5.479 1.00 0.00 H new ATOM 0 HA VAL A 86 163.933 8.245 3.245 1.00 0.00 H new ATOM 0 HB VAL A 86 165.259 7.385 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.104 8.038 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.882 9.424 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.473 8.685 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 86 164.459 5.790 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 86 162.784 6.290 6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 86 163.741 5.483 4.897 1.00 0.00 H new ATOM 1325 N PHE A 87 162.347 6.303 2.931 1.00 0.00 N ATOM 1326 CA PHE A 87 161.305 5.344 2.584 1.00 0.00 C ATOM 1327 C PHE A 87 161.672 3.945 3.068 1.00 0.00 C ATOM 1328 O PHE A 87 160.800 3.102 3.279 1.00 0.00 O ATOM 1329 CB PHE A 87 161.074 5.329 1.071 1.00 0.00 C ATOM 1330 CG PHE A 87 159.997 6.272 0.621 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.799 6.354 1.311 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.182 7.077 -0.491 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.807 7.221 0.902 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.191 7.947 -0.906 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.003 8.020 -0.208 1.00 0.00 C ATOM 0 H PHE A 87 163.198 6.221 2.375 1.00 0.00 H new ATOM 0 HA PHE A 87 160.384 5.652 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 87 162.005 5.586 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.813 4.317 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.640 5.732 2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.111 7.024 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.878 7.275 1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.346 8.569 -1.775 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.228 8.700 -0.529 1.00 0.00 H new ATOM 1345 N ALA A 88 162.967 3.706 3.244 1.00 0.00 N ATOM 1346 CA ALA A 88 163.444 2.410 3.706 1.00 0.00 C ATOM 1347 C ALA A 88 164.951 2.418 3.927 1.00 0.00 C ATOM 1348 O ALA A 88 165.629 3.403 3.632 1.00 0.00 O ATOM 1349 CB ALA A 88 163.062 1.323 2.710 1.00 0.00 C ATOM 0 H ALA A 88 163.703 4.392 3.074 1.00 0.00 H new ATOM 0 HA ALA A 88 162.968 2.200 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.424 0.359 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.977 1.288 2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.511 1.543 1.741 1.00 0.00 H new ATOM 1355 N LYS A 89 165.470 1.305 4.435 1.00 0.00 N ATOM 1356 CA LYS A 89 166.897 1.152 4.688 1.00 0.00 C ATOM 1357 C LYS A 89 167.301 -0.271 4.328 1.00 0.00 C ATOM 1358 O LYS A 89 166.556 -1.210 4.600 1.00 0.00 O ATOM 1359 CB LYS A 89 167.232 1.439 6.159 1.00 0.00 C ATOM 1360 CG LYS A 89 166.299 2.437 6.834 1.00 0.00 C ATOM 1361 CD LYS A 89 166.101 2.105 8.306 1.00 0.00 C ATOM 1362 CE LYS A 89 164.952 2.898 8.912 1.00 0.00 C ATOM 1363 NZ LYS A 89 163.786 2.993 7.989 1.00 0.00 N ATOM 0 H LYS A 89 164.914 0.486 4.682 1.00 0.00 H new ATOM 0 HA LYS A 89 167.449 1.868 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.205 0.502 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.253 1.816 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.709 3.442 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.334 2.436 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 89 165.905 1.038 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 89 167.019 2.318 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.639 2.426 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.297 3.901 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 162.910 3.075 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 163.891 3.831 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 163.742 2.139 7.397 1.00 0.00 H new ATOM 1377 N PHE A 90 168.455 -0.438 3.696 1.00 0.00 N ATOM 1378 CA PHE A 90 168.894 -1.768 3.292 1.00 0.00 C ATOM 1379 C PHE A 90 170.293 -2.091 3.797 1.00 0.00 C ATOM 1380 O PHE A 90 171.229 -1.309 3.627 1.00 0.00 O ATOM 1381 CB PHE A 90 168.853 -1.900 1.766 1.00 0.00 C ATOM 1382 CG PHE A 90 167.498 -1.637 1.172 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.870 -0.413 1.350 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.851 -2.616 0.435 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.624 -0.172 0.806 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.603 -2.380 -0.111 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.989 -1.157 0.076 1.00 0.00 C ATOM 0 H PHE A 90 169.096 0.318 3.455 1.00 0.00 H new ATOM 0 HA PHE A 90 168.206 -2.483 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.571 -1.205 1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 90 169.173 -2.904 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.362 0.361 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 90 167.327 -3.574 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.147 0.786 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 90 165.109 -3.151 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 90 164.013 -0.971 -0.348 1.00 0.00 H new ATOM 1397 N LEU A 91 170.426 -3.269 4.394 1.00 0.00 N ATOM 1398 CA LEU A 91 171.706 -3.738 4.903 1.00 0.00 C ATOM 1399 C LEU A 91 172.130 -4.970 4.117 1.00 0.00 C ATOM 1400 O LEU A 91 171.336 -5.896 3.939 1.00 0.00 O ATOM 1401 CB LEU A 91 171.616 -4.072 6.396 1.00 0.00 C ATOM 1402 CG LEU A 91 170.548 -3.305 7.180 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.174 -4.065 8.440 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.046 -1.915 7.526 1.00 0.00 C ATOM 0 H LEU A 91 169.655 -3.921 4.538 1.00 0.00 H new ATOM 0 HA LEU A 91 172.446 -2.947 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 91 171.422 -5.139 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.586 -3.878 6.853 1.00 0.00 H new ATOM 0 HG LEU A 91 169.659 -3.208 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.414 -3.509 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.782 -5.046 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.057 -4.187 9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.276 -1.381 8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 91 171.947 -1.992 8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.273 -1.371 6.609 1.00 0.00 H new ATOM 1416 N ILE A 92 173.367 -4.976 3.626 1.00 0.00 N ATOM 1417 CA ILE A 92 173.852 -6.107 2.836 1.00 0.00 C ATOM 1418 C ILE A 92 175.213 -6.609 3.304 1.00 0.00 C ATOM 1419 O ILE A 92 176.146 -5.830 3.502 1.00 0.00 O ATOM 1420 CB ILE A 92 173.956 -5.753 1.332 1.00 0.00 C ATOM 1421 CG1 ILE A 92 174.061 -4.238 1.134 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.770 -6.325 0.567 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.741 -3.519 1.279 1.00 0.00 C ATOM 0 H ILE A 92 174.043 -4.224 3.758 1.00 0.00 H new ATOM 0 HA ILE A 92 173.115 -6.896 2.981 1.00 0.00 H new ATOM 0 HB ILE A 92 174.866 -6.203 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 92 174.768 -3.833 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.469 -4.036 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.859 -6.067 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.756 -7.410 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.845 -5.909 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.890 -2.450 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 92 172.037 -3.897 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 92 172.341 -3.690 2.278 1.00 0.00 H new ATOM 1435 N SER A 93 175.313 -7.925 3.457 1.00 0.00 N ATOM 1436 CA SER A 93 176.557 -8.558 3.875 1.00 0.00 C ATOM 1437 C SER A 93 177.633 -8.341 2.818 1.00 0.00 C ATOM 1438 O SER A 93 177.406 -8.577 1.632 1.00 0.00 O ATOM 1439 CB SER A 93 176.342 -10.056 4.103 1.00 0.00 C ATOM 1440 OG SER A 93 176.340 -10.762 2.876 1.00 0.00 O ATOM 0 H SER A 93 174.544 -8.576 3.297 1.00 0.00 H new ATOM 0 HA SER A 93 176.882 -8.105 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 93 177.129 -10.445 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.396 -10.216 4.620 1.00 0.00 H new ATOM 0 HG SER A 93 176.380 -11.725 3.053 1.00 0.00 H new ATOM 1446 N HIS A 94 178.800 -7.881 3.250 1.00 0.00 N ATOM 1447 CA HIS A 94 179.902 -7.623 2.327 1.00 0.00 C ATOM 1448 C HIS A 94 180.595 -8.919 1.907 1.00 0.00 C ATOM 1449 O HIS A 94 181.302 -8.953 0.900 1.00 0.00 O ATOM 1450 CB HIS A 94 180.919 -6.664 2.954 1.00 0.00 C ATOM 1451 CG HIS A 94 180.356 -5.312 3.280 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.292 -4.284 2.363 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.837 -4.817 4.431 1.00 0.00 C ATOM 1454 CE1 HIS A 94 179.762 -3.217 2.935 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.477 -3.514 4.189 1.00 0.00 N ATOM 0 H HIS A 94 179.009 -7.679 4.228 1.00 0.00 H new ATOM 0 HA HIS A 94 179.480 -7.159 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 94 181.313 -7.113 3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.759 -6.542 2.270 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.727 -5.349 5.365 1.00 0.00 H new ATOM 0 HE1 HIS A 94 179.591 -2.264 2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.058 -2.879 4.868 1.00 0.00 H new ATOM 1464 N ARG A 95 180.392 -9.983 2.679 1.00 0.00 N ATOM 1465 CA ARG A 95 181.002 -11.274 2.375 1.00 0.00 C ATOM 1466 C ARG A 95 180.419 -11.869 1.098 1.00 0.00 C ATOM 1467 O ARG A 95 179.408 -11.393 0.582 1.00 0.00 O ATOM 1468 CB ARG A 95 180.801 -12.246 3.539 1.00 0.00 C ATOM 1469 CG ARG A 95 179.372 -12.289 4.057 1.00 0.00 C ATOM 1470 CD ARG A 95 179.240 -11.606 5.410 1.00 0.00 C ATOM 1471 NE ARG A 95 180.249 -12.070 6.363 1.00 0.00 N ATOM 1472 CZ ARG A 95 181.317 -11.360 6.728 1.00 0.00 C ATOM 1473 NH1 ARG A 95 181.541 -10.158 6.210 1.00 0.00 N ATOM 1474 NH2 ARG A 95 182.171 -11.860 7.611 1.00 0.00 N ATOM 0 H ARG A 95 179.811 -9.977 3.518 1.00 0.00 H new ATOM 0 HA ARG A 95 182.069 -11.112 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 95 181.093 -13.247 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 95 181.466 -11.964 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 95 178.711 -11.804 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 95 179.047 -13.326 4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.333 -10.528 5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 95 178.246 -11.795 5.815 1.00 0.00 H new ATOM 0 HE ARG A 95 180.128 -12.995 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 95 180.893 -9.769 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 95 182.361 -9.624 6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 95 182.010 -12.785 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 95 182.989 -11.319 7.892 1.00 0.00 H new ATOM 1488 N GLU A 96 181.067 -12.915 0.596 1.00 0.00 N ATOM 1489 CA GLU A 96 180.620 -13.583 -0.619 1.00 0.00 C ATOM 1490 C GLU A 96 179.564 -14.637 -0.301 1.00 0.00 C ATOM 1491 O GLU A 96 178.391 -14.474 -0.638 1.00 0.00 O ATOM 1492 CB GLU A 96 181.811 -14.227 -1.331 1.00 0.00 C ATOM 1493 CG GLU A 96 181.738 -14.135 -2.847 1.00 0.00 C ATOM 1494 CD GLU A 96 181.937 -12.721 -3.356 1.00 0.00 C ATOM 1495 OE1 GLU A 96 181.079 -11.860 -3.068 1.00 0.00 O ATOM 1496 OE2 GLU A 96 182.950 -12.475 -4.043 1.00 0.00 O ATOM 0 H GLU A 96 181.905 -13.319 1.014 1.00 0.00 H new ATOM 0 HA GLU A 96 180.172 -12.838 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 96 182.729 -13.748 -0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.872 -15.276 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 96 182.497 -14.784 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.770 -14.505 -3.183 1.00 0.00 H new ATOM 1503 N GLU A 97 179.983 -15.714 0.358 1.00 0.00 N ATOM 1504 CA GLU A 97 179.062 -16.784 0.727 1.00 0.00 C ATOM 1505 C GLU A 97 177.981 -16.248 1.651 1.00 0.00 C ATOM 1506 O GLU A 97 178.241 -15.373 2.476 1.00 0.00 O ATOM 1507 CB GLU A 97 179.816 -17.930 1.406 1.00 0.00 C ATOM 1508 CG GLU A 97 180.276 -19.010 0.441 1.00 0.00 C ATOM 1509 CD GLU A 97 181.339 -19.911 1.038 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.048 -20.582 2.051 1.00 0.00 O ATOM 1511 OE2 GLU A 97 182.462 -19.947 0.493 1.00 0.00 O ATOM 0 H GLU A 97 180.949 -15.868 0.646 1.00 0.00 H new ATOM 0 HA GLU A 97 178.594 -17.167 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.684 -17.525 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.173 -18.380 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.419 -19.614 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 97 180.667 -18.542 -0.463 1.00 0.00 H new ATOM 1518 N ASP A 98 176.766 -16.769 1.506 1.00 0.00 N ATOM 1519 CA ASP A 98 175.649 -16.324 2.329 1.00 0.00 C ATOM 1520 C ASP A 98 175.440 -14.822 2.167 1.00 0.00 C ATOM 1521 O ASP A 98 176.300 -14.024 2.539 1.00 0.00 O ATOM 1522 CB ASP A 98 175.900 -16.665 3.799 1.00 0.00 C ATOM 1523 CG ASP A 98 174.688 -17.290 4.463 1.00 0.00 C ATOM 1524 OD1 ASP A 98 174.368 -18.453 4.139 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.060 -16.617 5.306 1.00 0.00 O ATOM 0 H ASP A 98 176.532 -17.496 0.830 1.00 0.00 H new ATOM 0 HA ASP A 98 174.748 -16.842 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.744 -17.351 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.179 -15.759 4.337 1.00 0.00 H new ATOM 1530 N ARG A 99 174.297 -14.435 1.618 1.00 0.00 N ATOM 1531 CA ARG A 99 173.989 -13.024 1.419 1.00 0.00 C ATOM 1532 C ARG A 99 172.831 -12.604 2.318 1.00 0.00 C ATOM 1533 O ARG A 99 171.666 -12.697 1.930 1.00 0.00 O ATOM 1534 CB ARG A 99 173.635 -12.765 -0.054 1.00 0.00 C ATOM 1535 CG ARG A 99 174.506 -11.720 -0.745 1.00 0.00 C ATOM 1536 CD ARG A 99 174.698 -10.481 0.119 1.00 0.00 C ATOM 1537 NE ARG A 99 174.566 -9.251 -0.657 1.00 0.00 N ATOM 1538 CZ ARG A 99 173.443 -8.870 -1.260 1.00 0.00 C ATOM 1539 NH1 ARG A 99 172.348 -9.616 -1.173 1.00 0.00 N ATOM 1540 NH2 ARG A 99 173.413 -7.739 -1.952 1.00 0.00 N ATOM 0 H ARG A 99 173.569 -15.076 1.303 1.00 0.00 H new ATOM 0 HA ARG A 99 174.867 -12.433 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.713 -13.704 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 99 172.594 -12.447 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 99 175.478 -12.154 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 99 174.049 -11.435 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.964 -10.483 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 99 175.683 -10.512 0.585 1.00 0.00 H new ATOM 0 HE ARG A 99 175.384 -8.648 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 99 172.365 -10.486 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 99 171.490 -9.319 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 99 174.251 -7.161 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 99 172.552 -7.447 -2.414 1.00 0.00 H new ATOM 1554 N GLU A 100 173.158 -12.143 3.520 1.00 0.00 N ATOM 1555 CA GLU A 100 172.142 -11.712 4.471 1.00 0.00 C ATOM 1556 C GLU A 100 171.830 -10.233 4.290 1.00 0.00 C ATOM 1557 O GLU A 100 172.727 -9.390 4.308 1.00 0.00 O ATOM 1558 CB GLU A 100 172.604 -11.975 5.908 1.00 0.00 C ATOM 1559 CG GLU A 100 171.521 -12.539 6.818 1.00 0.00 C ATOM 1560 CD GLU A 100 170.797 -13.723 6.207 1.00 0.00 C ATOM 1561 OE1 GLU A 100 171.438 -14.779 6.019 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.588 -13.595 5.918 1.00 0.00 O ATOM 0 H GLU A 100 174.117 -12.058 3.858 1.00 0.00 H new ATOM 0 HA GLU A 100 171.236 -12.287 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 100 173.443 -12.670 5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 100 172.973 -11.043 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 100 171.970 -12.842 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 100 170.799 -11.755 7.045 1.00 0.00 H new ATOM 1569 N PHE A 101 170.552 -9.925 4.118 1.00 0.00 N ATOM 1570 CA PHE A 101 170.118 -8.548 3.936 1.00 0.00 C ATOM 1571 C PHE A 101 168.746 -8.328 4.562 1.00 0.00 C ATOM 1572 O PHE A 101 167.857 -9.170 4.443 1.00 0.00 O ATOM 1573 CB PHE A 101 170.085 -8.190 2.447 1.00 0.00 C ATOM 1574 CG PHE A 101 168.958 -8.838 1.692 1.00 0.00 C ATOM 1575 CD1 PHE A 101 169.050 -10.158 1.280 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.806 -8.127 1.397 1.00 0.00 C ATOM 1577 CE1 PHE A 101 168.015 -10.756 0.588 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.767 -8.720 0.705 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.872 -10.036 0.300 1.00 0.00 C ATOM 0 H PHE A 101 169.797 -10.611 4.101 1.00 0.00 H new ATOM 0 HA PHE A 101 170.834 -7.896 4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 101 170.004 -7.108 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 101 171.031 -8.483 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 101 169.941 -10.726 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 101 167.719 -7.097 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 101 168.099 -11.785 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 101 165.874 -8.155 0.481 1.00 0.00 H new ATOM 0 HZ PHE A 101 166.062 -10.502 -0.241 1.00 0.00 H new ATOM 1589 N HIS A 102 168.580 -7.192 5.230 1.00 0.00 N ATOM 1590 CA HIS A 102 167.312 -6.867 5.872 1.00 0.00 C ATOM 1591 C HIS A 102 166.911 -5.428 5.561 1.00 0.00 C ATOM 1592 O HIS A 102 167.737 -4.517 5.614 1.00 0.00 O ATOM 1593 CB HIS A 102 167.364 -7.097 7.396 1.00 0.00 C ATOM 1594 CG HIS A 102 168.740 -7.245 7.999 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.027 -6.842 9.288 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.898 -7.769 7.512 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.291 -7.110 9.564 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.839 -7.671 8.506 1.00 0.00 N ATOM 0 H HIS A 102 169.305 -6.483 5.341 1.00 0.00 H new ATOM 0 HA HIS A 102 166.557 -7.540 5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.863 -6.262 7.886 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.790 -7.994 7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 102 170.048 -8.185 6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.790 -6.904 10.499 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.808 -7.983 8.437 1.00 0.00 H new ATOM 1607 N VAL A 103 165.642 -5.236 5.205 1.00 0.00 N ATOM 1608 CA VAL A 103 165.146 -3.908 4.852 1.00 0.00 C ATOM 1609 C VAL A 103 164.104 -3.374 5.832 1.00 0.00 C ATOM 1610 O VAL A 103 163.302 -4.125 6.386 1.00 0.00 O ATOM 1611 CB VAL A 103 164.537 -3.894 3.436 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.246 -4.700 3.392 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.292 -2.464 2.984 1.00 0.00 C ATOM 0 H VAL A 103 164.943 -5.977 5.154 1.00 0.00 H new ATOM 0 HA VAL A 103 166.019 -3.257 4.894 1.00 0.00 H new ATOM 0 HB VAL A 103 165.247 -4.359 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.836 -4.675 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.452 -5.732 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.525 -4.270 4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.862 -2.468 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.602 -1.978 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.236 -1.920 2.971 1.00 0.00 H new ATOM 1623 N ILE A 104 164.122 -2.055 6.011 1.00 0.00 N ATOM 1624 CA ILE A 104 163.180 -1.371 6.892 1.00 0.00 C ATOM 1625 C ILE A 104 162.220 -0.511 6.073 1.00 0.00 C ATOM 1626 O ILE A 104 162.636 0.154 5.128 1.00 0.00 O ATOM 1627 CB ILE A 104 163.911 -0.459 7.901 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.938 -1.248 8.708 1.00 0.00 C ATOM 1629 CG2 ILE A 104 162.919 0.214 8.834 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.272 -1.378 8.017 1.00 0.00 C ATOM 0 H ILE A 104 164.787 -1.433 5.551 1.00 0.00 H new ATOM 0 HA ILE A 104 162.631 -2.139 7.437 1.00 0.00 H new ATOM 0 HB ILE A 104 164.436 0.310 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.083 -0.761 9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.543 -2.244 8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.455 0.852 9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.225 0.819 8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 104 162.364 -0.546 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.954 -1.950 8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 104 166.140 -1.892 7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 104 166.688 -0.386 7.839 1.00 0.00 H new ATOM 1642 N TRP A 105 160.940 -0.516 6.437 1.00 0.00 N ATOM 1643 CA TRP A 105 159.949 0.287 5.720 1.00 0.00 C ATOM 1644 C TRP A 105 159.237 1.249 6.662 1.00 0.00 C ATOM 1645 O TRP A 105 159.033 0.951 7.839 1.00 0.00 O ATOM 1646 CB TRP A 105 158.924 -0.601 5.010 1.00 0.00 C ATOM 1647 CG TRP A 105 159.548 -1.672 4.168 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.678 -2.994 4.484 1.00 0.00 C ATOM 1649 CD2 TRP A 105 160.128 -1.512 2.867 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.301 -3.665 3.460 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.587 -2.777 2.456 1.00 0.00 C ATOM 1652 CE3 TRP A 105 160.303 -0.422 2.008 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 161.207 -2.981 1.226 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.916 -0.624 0.791 1.00 0.00 C ATOM 1655 CH2 TRP A 105 161.362 -1.896 0.407 1.00 0.00 C ATOM 0 H TRP A 105 160.566 -1.060 7.215 1.00 0.00 H new ATOM 0 HA TRP A 105 160.485 0.867 4.968 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.278 -1.065 5.755 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.288 0.022 4.381 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.340 -3.446 5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.516 -4.662 3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.963 0.562 2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.553 -3.960 0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 161.055 0.212 0.121 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.837 -2.022 -0.554 1.00 0.00 H new ATOM 1666 N LYS A 106 158.865 2.409 6.132 1.00 0.00 N ATOM 1667 CA LYS A 106 158.179 3.429 6.913 1.00 0.00 C ATOM 1668 C LYS A 106 156.787 2.961 7.328 1.00 0.00 C ATOM 1669 O LYS A 106 156.109 2.255 6.581 1.00 0.00 O ATOM 1670 CB LYS A 106 158.075 4.722 6.106 1.00 0.00 C ATOM 1671 CG LYS A 106 159.258 5.657 6.301 1.00 0.00 C ATOM 1672 CD LYS A 106 158.808 7.072 6.630 1.00 0.00 C ATOM 1673 CE LYS A 106 158.969 7.379 8.111 1.00 0.00 C ATOM 1674 NZ LYS A 106 159.531 8.739 8.338 1.00 0.00 N ATOM 0 H LYS A 106 159.029 2.666 5.159 1.00 0.00 H new ATOM 0 HA LYS A 106 158.760 3.612 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.989 4.474 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.160 5.243 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.891 5.280 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.865 5.669 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 106 159.389 7.785 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.764 7.199 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 106 158.001 7.299 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 106 159.623 6.635 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 159.625 8.910 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 160.466 8.808 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 158.895 9.451 7.925 1.00 0.00 H new ATOM 1688 N LYS A 107 156.368 3.363 8.524 1.00 0.00 N ATOM 1689 CA LYS A 107 155.057 2.989 9.040 1.00 0.00 C ATOM 1690 C LYS A 107 154.039 4.100 8.796 1.00 0.00 C ATOM 1691 O LYS A 107 153.485 4.158 7.678 1.00 0.00 O ATOM 1692 CB LYS A 107 155.145 2.680 10.536 1.00 0.00 C ATOM 1693 CG LYS A 107 156.001 1.465 10.857 1.00 0.00 C ATOM 1694 CD LYS A 107 156.445 1.466 12.311 1.00 0.00 C ATOM 1695 CE LYS A 107 157.865 1.989 12.460 1.00 0.00 C ATOM 1696 NZ LYS A 107 157.890 3.401 12.933 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.805 4.903 9.724 1.00 0.00 O ATOM 0 H LYS A 107 156.918 3.948 9.153 1.00 0.00 H new ATOM 0 HA LYS A 107 154.726 2.096 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 107 155.552 3.548 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 107 154.140 2.519 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 107 155.437 0.556 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 107 156.877 1.453 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 107 155.766 2.083 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.385 0.454 12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 107 158.411 1.361 13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 107 158.380 1.918 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 158.876 3.720 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 157.391 4.005 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.421 3.465 13.859 1.00 0.00 H new