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 24 MET CE :methyl 175:sc= -3.55 (180deg=-2.26) USER MOD Set 1.2: A 28 ASN : amide:sc= -5.14! C(o=-8.7!,f=-19!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.48 K(o=-2.5,f=-6.4!) USER MOD Single : A 40 GLN : amide:sc= -0.811 K(o=-0.81,f=-3.2!) USER MOD Single : A 52 THR OG1 : rot 117:sc= 0.0432 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.02 K(o=-3,f=-21!) USER MOD Single : A 80 GLN : amide:sc= -0.539 K(o=-0.54,f=-0.037) USER MOD Single : A 83 MET CE :methyl 172:sc= -1.99 (180deg=-2.23!) USER MOD Single : A 89 LYS NZ :NH3+ -111:sc= 1.22 (180deg=-0.107) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-6.5!) USER MOD Single : A 102 HIS : no HD1:sc= -7.43! C(o=-7.4!,f=-8.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 156:sc= -1.21 (180deg=-2.41!) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.982 -9.411 1.608 1.00 0.00 N ATOM 81 CA LYS A 6 185.730 -8.677 0.373 1.00 0.00 C ATOM 82 C LYS A 6 184.621 -7.650 0.575 1.00 0.00 C ATOM 83 O LYS A 6 183.537 -7.981 1.056 1.00 0.00 O ATOM 84 CB LYS A 6 185.352 -9.645 -0.751 1.00 0.00 C ATOM 85 CG LYS A 6 186.480 -9.904 -1.736 1.00 0.00 C ATOM 86 CD LYS A 6 186.039 -10.836 -2.854 1.00 0.00 C ATOM 87 CE LYS A 6 187.122 -10.994 -3.908 1.00 0.00 C ATOM 88 NZ LYS A 6 187.219 -12.397 -4.398 1.00 0.00 N ATOM 0 HA LYS A 6 186.643 -8.151 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.039 -10.593 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.494 -9.244 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 6 186.818 -8.959 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 6 187.330 -10.340 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 6 185.790 -11.812 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 6 185.133 -10.446 -3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 6 186.912 -10.330 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 6 188.082 -10.688 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 187.969 -12.463 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 187.444 -13.028 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 186.311 -12.681 -4.819 1.00 0.00 H new ATOM 102 N LYS A 7 184.898 -6.403 0.209 1.00 0.00 N ATOM 103 CA LYS A 7 183.920 -5.332 0.358 1.00 0.00 C ATOM 104 C LYS A 7 183.137 -5.116 -0.934 1.00 0.00 C ATOM 105 O LYS A 7 183.327 -5.834 -1.916 1.00 0.00 O ATOM 106 CB LYS A 7 184.610 -4.035 0.775 1.00 0.00 C ATOM 107 CG LYS A 7 185.526 -3.463 -0.292 1.00 0.00 C ATOM 108 CD LYS A 7 185.261 -1.984 -0.523 1.00 0.00 C ATOM 109 CE LYS A 7 185.317 -1.631 -2.000 1.00 0.00 C ATOM 110 NZ LYS A 7 185.847 -0.258 -2.224 1.00 0.00 N ATOM 0 H LYS A 7 185.789 -6.110 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 7 183.217 -5.627 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 7 183.851 -3.294 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 7 185.189 -4.216 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 7 186.565 -3.605 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.384 -4.009 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 7 184.282 -1.722 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 7 185.997 -1.392 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 7 185.946 -2.352 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.318 -1.709 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 185.869 -0.056 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 185.233 0.433 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 186.810 -0.190 -1.837 1.00 0.00 H new ATOM 124 N LEU A 8 182.253 -4.122 -0.923 1.00 0.00 N ATOM 125 CA LEU A 8 181.435 -3.806 -2.087 1.00 0.00 C ATOM 126 C LEU A 8 181.666 -2.366 -2.536 1.00 0.00 C ATOM 127 O LEU A 8 182.134 -1.532 -1.761 1.00 0.00 O ATOM 128 CB LEU A 8 179.954 -4.025 -1.762 1.00 0.00 C ATOM 129 CG LEU A 8 179.306 -5.212 -2.472 1.00 0.00 C ATOM 130 CD1 LEU A 8 178.070 -5.677 -1.717 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.952 -4.845 -3.906 1.00 0.00 C ATOM 0 H LEU A 8 182.086 -3.520 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 8 181.724 -4.470 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.850 -4.164 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.403 -3.121 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 8 180.022 -6.034 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.622 -6.523 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.352 -5.980 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.349 -4.862 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.491 -5.702 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.254 -4.008 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.857 -4.562 -4.443 1.00 0.00 H new ATOM 143 N ASP A 9 181.332 -2.079 -3.791 1.00 0.00 N ATOM 144 CA ASP A 9 181.501 -0.738 -4.337 1.00 0.00 C ATOM 145 C ASP A 9 180.261 0.115 -4.074 1.00 0.00 C ATOM 146 O ASP A 9 179.141 -0.396 -4.054 1.00 0.00 O ATOM 147 CB ASP A 9 181.777 -0.808 -5.840 1.00 0.00 C ATOM 148 CG ASP A 9 183.243 -1.038 -6.150 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.663 -2.214 -6.190 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.970 -0.044 -6.351 1.00 0.00 O ATOM 0 H ASP A 9 180.944 -2.756 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 9 182.353 -0.274 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.186 -1.612 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.451 0.120 -6.310 1.00 0.00 H new ATOM 155 N PRO A 10 180.445 1.430 -3.866 1.00 0.00 N ATOM 156 CA PRO A 10 179.333 2.350 -3.602 1.00 0.00 C ATOM 157 C PRO A 10 178.216 2.223 -4.633 1.00 0.00 C ATOM 158 O PRO A 10 177.056 2.008 -4.282 1.00 0.00 O ATOM 159 CB PRO A 10 179.986 3.731 -3.688 1.00 0.00 C ATOM 160 CG PRO A 10 181.416 3.494 -3.348 1.00 0.00 C ATOM 161 CD PRO A 10 181.747 2.124 -3.871 1.00 0.00 C ATOM 0 HA PRO A 10 178.857 2.148 -2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.881 4.157 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.524 4.432 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.055 4.250 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.575 3.549 -2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.174 2.169 -4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.475 1.617 -3.237 1.00 0.00 H new ATOM 169 N ASP A 11 178.573 2.357 -5.905 1.00 0.00 N ATOM 170 CA ASP A 11 177.599 2.259 -6.987 1.00 0.00 C ATOM 171 C ASP A 11 177.046 0.842 -7.099 1.00 0.00 C ATOM 172 O ASP A 11 175.882 0.645 -7.448 1.00 0.00 O ATOM 173 CB ASP A 11 178.235 2.677 -8.314 1.00 0.00 C ATOM 174 CG ASP A 11 179.431 1.818 -8.678 1.00 0.00 C ATOM 175 OD1 ASP A 11 180.536 2.089 -8.162 1.00 0.00 O ATOM 176 OD2 ASP A 11 179.263 0.877 -9.481 1.00 0.00 O ATOM 0 H ASP A 11 179.529 2.534 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 11 176.774 2.933 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 11 177.490 2.613 -9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.546 3.720 -8.252 1.00 0.00 H new ATOM 181 N THR A 12 177.888 -0.143 -6.803 1.00 0.00 N ATOM 182 CA THR A 12 177.481 -1.542 -6.875 1.00 0.00 C ATOM 183 C THR A 12 176.455 -1.873 -5.794 1.00 0.00 C ATOM 184 O THR A 12 175.431 -2.499 -6.070 1.00 0.00 O ATOM 185 CB THR A 12 178.698 -2.459 -6.737 1.00 0.00 C ATOM 186 OG1 THR A 12 179.650 -2.183 -7.750 1.00 0.00 O ATOM 187 CG2 THR A 12 178.351 -3.930 -6.823 1.00 0.00 C ATOM 0 H THR A 12 178.855 0.001 -6.511 1.00 0.00 H new ATOM 0 HA THR A 12 177.019 -1.706 -7.848 1.00 0.00 H new ATOM 0 HB THR A 12 179.104 -2.255 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.250 -2.951 -7.853 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.258 -4.525 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.654 -4.187 -6.025 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.890 -4.139 -7.788 1.00 0.00 H new ATOM 195 N ALA A 13 176.730 -1.441 -4.566 1.00 0.00 N ATOM 196 CA ALA A 13 175.823 -1.688 -3.451 1.00 0.00 C ATOM 197 C ALA A 13 174.461 -1.058 -3.712 1.00 0.00 C ATOM 198 O ALA A 13 173.425 -1.612 -3.345 1.00 0.00 O ATOM 199 CB ALA A 13 176.417 -1.154 -2.157 1.00 0.00 C ATOM 0 H ALA A 13 177.571 -0.920 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 13 175.687 -2.765 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.728 -1.346 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.366 -1.652 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.583 -0.081 -2.249 1.00 0.00 H new ATOM 205 N ILE A 14 174.474 0.100 -4.362 1.00 0.00 N ATOM 206 CA ILE A 14 173.240 0.800 -4.689 1.00 0.00 C ATOM 207 C ILE A 14 172.380 -0.058 -5.610 1.00 0.00 C ATOM 208 O ILE A 14 171.238 -0.384 -5.287 1.00 0.00 O ATOM 209 CB ILE A 14 173.521 2.163 -5.359 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.263 3.084 -4.389 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.225 2.814 -5.823 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.058 4.173 -5.075 1.00 0.00 C ATOM 0 H ILE A 14 175.323 0.572 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 14 172.706 0.985 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 14 174.149 1.994 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.541 3.543 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.937 2.485 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.447 3.773 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.729 2.164 -6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.570 2.972 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.557 4.787 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.804 3.722 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.387 4.796 -5.666 1.00 0.00 H new ATOM 224 N ASP A 15 172.941 -0.424 -6.759 1.00 0.00 N ATOM 225 CA ASP A 15 172.234 -1.250 -7.733 1.00 0.00 C ATOM 226 C ASP A 15 171.588 -2.461 -7.062 1.00 0.00 C ATOM 227 O ASP A 15 170.541 -2.938 -7.501 1.00 0.00 O ATOM 228 CB ASP A 15 173.193 -1.713 -8.831 1.00 0.00 C ATOM 229 CG ASP A 15 173.211 -0.770 -10.019 1.00 0.00 C ATOM 230 OD1 ASP A 15 173.317 0.455 -9.803 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.118 -1.258 -11.165 1.00 0.00 O ATOM 0 H ASP A 15 173.886 -0.161 -7.039 1.00 0.00 H new ATOM 0 HA ASP A 15 171.445 -0.643 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.199 -1.794 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 15 172.904 -2.709 -9.166 1.00 0.00 H new ATOM 236 N ILE A 16 172.214 -2.952 -5.995 1.00 0.00 N ATOM 237 CA ILE A 16 171.688 -4.104 -5.269 1.00 0.00 C ATOM 238 C ILE A 16 170.414 -3.738 -4.511 1.00 0.00 C ATOM 239 O ILE A 16 169.357 -4.327 -4.735 1.00 0.00 O ATOM 240 CB ILE A 16 172.721 -4.672 -4.268 1.00 0.00 C ATOM 241 CG1 ILE A 16 174.042 -5.017 -4.965 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.166 -5.902 -3.569 1.00 0.00 C ATOM 243 CD1 ILE A 16 173.890 -5.453 -6.409 1.00 0.00 C ATOM 0 H ILE A 16 173.081 -2.572 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 16 171.464 -4.867 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 16 172.919 -3.900 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.697 -4.147 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 16 174.536 -5.813 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.907 -6.288 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.259 -5.634 -3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.934 -6.667 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 16 174.871 -5.678 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 16 173.263 -6.343 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.426 -4.652 -6.984 1.00 0.00 H new ATOM 255 N ALA A 17 170.524 -2.764 -3.613 1.00 0.00 N ATOM 256 CA ALA A 17 169.382 -2.321 -2.821 1.00 0.00 C ATOM 257 C ALA A 17 168.277 -1.765 -3.711 1.00 0.00 C ATOM 258 O ALA A 17 167.106 -2.112 -3.552 1.00 0.00 O ATOM 259 CB ALA A 17 169.819 -1.278 -1.805 1.00 0.00 C ATOM 0 H ALA A 17 171.392 -2.267 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 17 168.983 -3.185 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.957 -0.956 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.568 -1.709 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.246 -0.420 -2.325 1.00 0.00 H new ATOM 265 N TYR A 18 168.654 -0.901 -4.649 1.00 0.00 N ATOM 266 CA TYR A 18 167.691 -0.299 -5.567 1.00 0.00 C ATOM 267 C TYR A 18 166.844 -1.372 -6.243 1.00 0.00 C ATOM 268 O TYR A 18 165.623 -1.244 -6.345 1.00 0.00 O ATOM 269 CB TYR A 18 168.416 0.537 -6.623 1.00 0.00 C ATOM 270 CG TYR A 18 167.485 1.240 -7.585 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.802 0.529 -8.564 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.290 2.613 -7.515 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.950 1.168 -9.446 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.440 3.259 -8.392 1.00 0.00 C ATOM 275 CZ TYR A 18 165.772 2.532 -9.355 1.00 0.00 C ATOM 276 OH TYR A 18 164.925 3.172 -10.231 1.00 0.00 O ATOM 0 H TYR A 18 169.618 -0.602 -4.794 1.00 0.00 H new ATOM 0 HA TYR A 18 167.032 0.350 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.036 1.281 -6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 18 169.087 -0.110 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.939 -0.540 -8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.812 3.186 -6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.427 0.601 -10.202 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.299 4.328 -8.324 1.00 0.00 H new ATOM 0 HH TYR A 18 164.911 4.131 -10.031 1.00 0.00 H new ATOM 286 N ASP A 19 167.502 -2.430 -6.701 1.00 0.00 N ATOM 287 CA ASP A 19 166.814 -3.529 -7.365 1.00 0.00 C ATOM 288 C ASP A 19 165.832 -4.207 -6.415 1.00 0.00 C ATOM 289 O ASP A 19 164.715 -4.554 -6.803 1.00 0.00 O ATOM 290 CB ASP A 19 167.827 -4.551 -7.888 1.00 0.00 C ATOM 291 CG ASP A 19 167.956 -4.515 -9.398 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.988 -4.902 -10.086 1.00 0.00 O ATOM 293 OD2 ASP A 19 169.025 -4.100 -9.893 1.00 0.00 O ATOM 0 H ASP A 19 168.512 -2.550 -6.624 1.00 0.00 H new ATOM 0 HA ASP A 19 166.254 -3.121 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.801 -4.357 -7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.525 -5.551 -7.575 1.00 0.00 H new ATOM 298 N ILE A 20 166.244 -4.371 -5.162 1.00 0.00 N ATOM 299 CA ILE A 20 165.390 -4.990 -4.156 1.00 0.00 C ATOM 300 C ILE A 20 164.334 -4.012 -3.658 1.00 0.00 C ATOM 301 O ILE A 20 163.348 -4.411 -3.040 1.00 0.00 O ATOM 302 CB ILE A 20 166.207 -5.495 -2.949 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.286 -6.478 -3.407 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.289 -6.146 -1.923 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.529 -6.454 -2.543 1.00 0.00 C ATOM 0 H ILE A 20 167.161 -4.085 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 20 164.905 -5.839 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 20 166.698 -4.642 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.872 -7.486 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.563 -6.248 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.880 -6.497 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.556 -5.417 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.773 -6.990 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.252 -7.175 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.967 -5.456 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.265 -6.714 -1.518 1.00 0.00 H new ATOM 317 N PHE A 21 164.540 -2.729 -3.932 1.00 0.00 N ATOM 318 CA PHE A 21 163.599 -1.705 -3.513 1.00 0.00 C ATOM 319 C PHE A 21 162.335 -1.764 -4.363 1.00 0.00 C ATOM 320 O PHE A 21 161.243 -2.006 -3.850 1.00 0.00 O ATOM 321 CB PHE A 21 164.252 -0.325 -3.618 1.00 0.00 C ATOM 322 CG PHE A 21 163.298 0.814 -3.415 1.00 0.00 C ATOM 323 CD1 PHE A 21 162.852 1.146 -2.146 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.851 1.554 -4.495 1.00 0.00 C ATOM 325 CE1 PHE A 21 161.976 2.197 -1.958 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.975 2.607 -4.315 1.00 0.00 C ATOM 327 CZ PHE A 21 161.537 2.929 -3.044 1.00 0.00 C ATOM 0 H PHE A 21 165.350 -2.376 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 21 163.320 -1.884 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 21 165.050 -0.254 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.716 -0.227 -4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 21 163.193 0.576 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.191 1.306 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 21 161.635 2.446 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.633 3.178 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.852 3.752 -2.900 1.00 0.00 H new ATOM 337 N LEU A 22 162.490 -1.542 -5.664 1.00 0.00 N ATOM 338 CA LEU A 22 161.356 -1.573 -6.578 1.00 0.00 C ATOM 339 C LEU A 22 160.874 -3.003 -6.848 1.00 0.00 C ATOM 340 O LEU A 22 159.864 -3.200 -7.523 1.00 0.00 O ATOM 341 CB LEU A 22 161.690 -0.861 -7.894 1.00 0.00 C ATOM 342 CG LEU A 22 163.055 -1.187 -8.492 1.00 0.00 C ATOM 343 CD1 LEU A 22 163.414 -2.631 -8.212 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.054 -0.914 -9.987 1.00 0.00 C ATOM 0 H LEU A 22 163.386 -1.340 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 22 160.540 -1.038 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 22 160.923 -1.112 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.633 0.215 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 22 163.806 -0.548 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 22 164.390 -2.853 -8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 163.447 -2.795 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 162.664 -3.285 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 164.034 -1.151 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 22 162.297 -1.533 -10.469 1.00 0.00 H new ATOM 0 HD23 LEU A 22 162.830 0.138 -10.165 1.00 0.00 H new ATOM 356 N GLU A 23 161.588 -4.000 -6.318 1.00 0.00 N ATOM 357 CA GLU A 23 161.206 -5.390 -6.513 1.00 0.00 C ATOM 358 C GLU A 23 160.398 -5.909 -5.321 1.00 0.00 C ATOM 359 O GLU A 23 159.312 -6.464 -5.489 1.00 0.00 O ATOM 360 CB GLU A 23 162.461 -6.245 -6.719 1.00 0.00 C ATOM 361 CG GLU A 23 162.294 -7.696 -6.310 1.00 0.00 C ATOM 362 CD GLU A 23 163.160 -8.638 -7.122 1.00 0.00 C ATOM 363 OE1 GLU A 23 164.398 -8.472 -7.103 1.00 0.00 O ATOM 364 OE2 GLU A 23 162.602 -9.543 -7.777 1.00 0.00 O ATOM 0 H GLU A 23 162.428 -3.866 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 23 160.575 -5.457 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 23 162.746 -6.205 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 23 163.282 -5.810 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.541 -7.802 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.248 -7.983 -6.423 1.00 0.00 H new ATOM 371 N MET A 24 160.943 -5.736 -4.119 1.00 0.00 N ATOM 372 CA MET A 24 160.281 -6.198 -2.901 1.00 0.00 C ATOM 373 C MET A 24 159.113 -5.292 -2.520 1.00 0.00 C ATOM 374 O MET A 24 158.089 -5.768 -2.030 1.00 0.00 O ATOM 375 CB MET A 24 161.285 -6.272 -1.748 1.00 0.00 C ATOM 376 CG MET A 24 161.242 -7.589 -0.991 1.00 0.00 C ATOM 377 SD MET A 24 162.072 -7.497 0.607 1.00 0.00 S ATOM 378 CE MET A 24 161.016 -6.333 1.465 1.00 0.00 C ATOM 0 H MET A 24 161.841 -5.279 -3.962 1.00 0.00 H new ATOM 0 HA MET A 24 159.883 -7.194 -3.097 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.290 -6.121 -2.142 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.089 -5.456 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 24 160.203 -7.884 -0.840 1.00 0.00 H new ATOM 0 HG3 MET A 24 161.710 -8.367 -1.595 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.345 -6.237 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.072 -5.361 0.975 1.00 0.00 H new ATOM 0 HE3 MET A 24 159.987 -6.691 1.443 1.00 0.00 H new ATOM 388 N ALA A 25 159.285 -3.985 -2.738 1.00 0.00 N ATOM 389 CA ALA A 25 158.254 -2.987 -2.413 1.00 0.00 C ATOM 390 C ALA A 25 156.844 -3.576 -2.468 1.00 0.00 C ATOM 391 O ALA A 25 156.536 -4.404 -3.325 1.00 0.00 O ATOM 392 CB ALA A 25 158.358 -1.796 -3.351 1.00 0.00 C ATOM 0 H ALA A 25 160.134 -3.588 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 25 158.433 -2.659 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.589 -1.066 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.341 -1.337 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.218 -2.129 -4.379 1.00 0.00 H new ATOM 398 N GLY A 26 156.003 -3.151 -1.534 1.00 0.00 N ATOM 399 CA GLY A 26 154.643 -3.654 -1.466 1.00 0.00 C ATOM 400 C GLY A 26 154.413 -4.420 -0.182 1.00 0.00 C ATOM 401 O GLY A 26 153.965 -3.853 0.815 1.00 0.00 O ATOM 0 H GLY A 26 156.239 -2.463 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.940 -2.823 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.448 -4.302 -2.320 1.00 0.00 H new ATOM 405 N GLU A 27 154.746 -5.707 -0.196 1.00 0.00 N ATOM 406 CA GLU A 27 154.604 -6.542 0.984 1.00 0.00 C ATOM 407 C GLU A 27 155.668 -6.144 1.992 1.00 0.00 C ATOM 408 O GLU A 27 156.604 -6.897 2.264 1.00 0.00 O ATOM 409 CB GLU A 27 154.742 -8.022 0.620 1.00 0.00 C ATOM 410 CG GLU A 27 153.416 -8.703 0.323 1.00 0.00 C ATOM 411 CD GLU A 27 153.494 -10.211 0.453 1.00 0.00 C ATOM 412 OE1 GLU A 27 154.071 -10.692 1.451 1.00 0.00 O ATOM 413 OE2 GLU A 27 152.980 -10.912 -0.444 1.00 0.00 O ATOM 0 H GLU A 27 155.116 -6.191 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 27 153.613 -6.397 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 27 155.391 -8.114 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 27 155.233 -8.545 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 27 152.655 -8.322 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 27 153.097 -8.445 -0.687 1.00 0.00 H new ATOM 420 N ASN A 28 155.508 -4.948 2.543 1.00 0.00 N ATOM 421 CA ASN A 28 156.438 -4.417 3.527 1.00 0.00 C ATOM 422 C ASN A 28 156.165 -2.939 3.787 1.00 0.00 C ATOM 423 O ASN A 28 156.166 -2.486 4.932 1.00 0.00 O ATOM 424 CB ASN A 28 157.888 -4.599 3.061 1.00 0.00 C ATOM 425 CG ASN A 28 158.731 -5.339 4.082 1.00 0.00 C ATOM 426 OD1 ASN A 28 159.491 -6.243 3.738 1.00 0.00 O ATOM 427 ND2 ASN A 28 158.597 -4.957 5.347 1.00 0.00 N ATOM 0 H ASN A 28 154.734 -4.322 2.321 1.00 0.00 H new ATOM 0 HA ASN A 28 156.293 -4.972 4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.899 -5.147 2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 28 158.331 -3.622 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 28 159.137 -5.419 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.954 -4.202 5.586 1.00 0.00 H new ATOM 434 N LEU A 29 155.939 -2.193 2.711 1.00 0.00 N ATOM 435 CA LEU A 29 155.671 -0.762 2.805 1.00 0.00 C ATOM 436 C LEU A 29 154.185 -0.495 3.031 1.00 0.00 C ATOM 437 O LEU A 29 153.345 -1.358 2.775 1.00 0.00 O ATOM 438 CB LEU A 29 156.139 -0.061 1.528 1.00 0.00 C ATOM 439 CG LEU A 29 156.695 1.348 1.729 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.654 1.711 0.602 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.565 2.359 1.802 1.00 0.00 C ATOM 0 H LEU A 29 155.936 -2.558 1.759 1.00 0.00 H new ATOM 0 HA LEU A 29 156.221 -0.367 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.907 -0.674 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.301 -0.009 0.833 1.00 0.00 H new ATOM 0 HG LEU A 29 157.243 1.368 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.040 2.718 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.483 1.003 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.127 1.672 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.979 3.357 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 29 154.993 2.333 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.911 2.114 2.639 1.00 0.00 H new ATOM 453 N ASP A 30 153.866 0.707 3.507 1.00 0.00 N ATOM 454 CA ASP A 30 152.482 1.087 3.760 1.00 0.00 C ATOM 455 C ASP A 30 151.831 1.660 2.497 1.00 0.00 C ATOM 456 O ASP A 30 152.503 2.251 1.655 1.00 0.00 O ATOM 457 CB ASP A 30 152.414 2.106 4.900 1.00 0.00 C ATOM 458 CG ASP A 30 151.580 1.614 6.067 1.00 0.00 C ATOM 459 OD1 ASP A 30 151.874 0.516 6.585 1.00 0.00 O ATOM 460 OD2 ASP A 30 150.634 2.326 6.464 1.00 0.00 O ATOM 0 H ASP A 30 154.549 1.433 3.725 1.00 0.00 H new ATOM 0 HA ASP A 30 151.931 0.193 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.424 2.327 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.994 3.039 4.525 1.00 0.00 H new ATOM 465 N PRO A 31 150.506 1.485 2.348 1.00 0.00 N ATOM 466 CA PRO A 31 149.760 1.975 1.182 1.00 0.00 C ATOM 467 C PRO A 31 150.017 3.450 0.875 1.00 0.00 C ATOM 468 O PRO A 31 150.389 3.802 -0.244 1.00 0.00 O ATOM 469 CB PRO A 31 148.286 1.758 1.567 1.00 0.00 C ATOM 470 CG PRO A 31 148.292 1.413 3.020 1.00 0.00 C ATOM 471 CD PRO A 31 149.627 0.790 3.295 1.00 0.00 C ATOM 0 HA PRO A 31 150.062 1.449 0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 31 147.697 2.656 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.841 0.957 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.144 2.303 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.483 0.723 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.941 0.944 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.615 -0.286 3.122 1.00 0.00 H new ATOM 479 N ALA A 32 149.803 4.312 1.863 1.00 0.00 N ATOM 480 CA ALA A 32 150.001 5.749 1.681 1.00 0.00 C ATOM 481 C ALA A 32 151.392 6.065 1.134 1.00 0.00 C ATOM 482 O ALA A 32 151.533 6.662 0.061 1.00 0.00 O ATOM 483 CB ALA A 32 149.776 6.479 2.997 1.00 0.00 C ATOM 0 H ALA A 32 149.493 4.043 2.797 1.00 0.00 H new ATOM 0 HA ALA A 32 149.272 6.093 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 32 149.926 7.549 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 32 148.758 6.300 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.482 6.112 3.742 1.00 0.00 H new ATOM 489 N ASP A 33 152.417 5.665 1.878 1.00 0.00 N ATOM 490 CA ASP A 33 153.796 5.908 1.474 1.00 0.00 C ATOM 491 C ASP A 33 154.077 5.324 0.091 1.00 0.00 C ATOM 492 O ASP A 33 154.973 5.786 -0.615 1.00 0.00 O ATOM 493 CB ASP A 33 154.761 5.320 2.506 1.00 0.00 C ATOM 494 CG ASP A 33 155.275 6.367 3.475 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.515 6.757 4.386 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.438 6.796 3.324 1.00 0.00 O ATOM 0 H ASP A 33 152.318 5.171 2.765 1.00 0.00 H new ATOM 0 HA ASP A 33 153.948 6.986 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.257 4.530 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.604 4.860 1.991 1.00 0.00 H new ATOM 501 N ILE A 34 153.299 4.320 -0.303 1.00 0.00 N ATOM 502 CA ILE A 34 153.471 3.704 -1.613 1.00 0.00 C ATOM 503 C ILE A 34 152.987 4.653 -2.705 1.00 0.00 C ATOM 504 O ILE A 34 153.602 4.763 -3.765 1.00 0.00 O ATOM 505 CB ILE A 34 152.716 2.355 -1.717 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.490 1.257 -0.986 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.493 1.963 -3.173 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.700 -0.022 -0.808 1.00 0.00 C ATOM 0 H ILE A 34 152.550 3.919 0.261 1.00 0.00 H new ATOM 0 HA ILE A 34 154.534 3.504 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 34 151.741 2.475 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.403 1.037 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.793 1.627 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.961 1.013 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 34 151.903 2.732 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.456 1.863 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 34 153.310 -0.756 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.800 0.184 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.420 -0.416 -1.785 1.00 0.00 H new ATOM 520 N LEU A 35 151.883 5.341 -2.431 1.00 0.00 N ATOM 521 CA LEU A 35 151.316 6.288 -3.383 1.00 0.00 C ATOM 522 C LEU A 35 152.315 7.392 -3.709 1.00 0.00 C ATOM 523 O LEU A 35 152.606 7.652 -4.875 1.00 0.00 O ATOM 524 CB LEU A 35 150.028 6.899 -2.829 1.00 0.00 C ATOM 525 CG LEU A 35 149.373 7.948 -3.734 1.00 0.00 C ATOM 526 CD1 LEU A 35 147.906 7.617 -3.963 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.523 9.340 -3.136 1.00 0.00 C ATOM 0 H LEU A 35 151.364 5.260 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 35 151.085 5.746 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.311 6.098 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.246 7.357 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 35 149.881 7.934 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.459 8.373 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 147.823 6.640 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.383 7.600 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.052 10.071 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.044 9.369 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.581 9.578 -3.029 1.00 0.00 H new ATOM 539 N LEU A 36 152.845 8.036 -2.671 1.00 0.00 N ATOM 540 CA LEU A 36 153.820 9.109 -2.860 1.00 0.00 C ATOM 541 C LEU A 36 155.023 8.604 -3.655 1.00 0.00 C ATOM 542 O LEU A 36 155.472 9.241 -4.605 1.00 0.00 O ATOM 543 CB LEU A 36 154.276 9.657 -1.505 1.00 0.00 C ATOM 544 CG LEU A 36 154.285 11.182 -1.392 1.00 0.00 C ATOM 545 CD1 LEU A 36 152.957 11.685 -0.848 1.00 0.00 C ATOM 546 CD2 LEU A 36 155.434 11.645 -0.508 1.00 0.00 C ATOM 0 H LEU A 36 152.618 7.836 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 36 153.344 9.913 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.624 9.255 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.281 9.287 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 36 154.428 11.600 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 36 152.982 12.772 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 36 152.152 11.385 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 36 152.784 11.259 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 36 155.425 12.733 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.322 11.217 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 156.380 11.317 -0.939 1.00 0.00 H new ATOM 558 N PHE A 37 155.523 7.443 -3.258 1.00 0.00 N ATOM 559 CA PHE A 37 156.662 6.824 -3.928 1.00 0.00 C ATOM 560 C PHE A 37 156.388 6.661 -5.427 1.00 0.00 C ATOM 561 O PHE A 37 157.312 6.550 -6.229 1.00 0.00 O ATOM 562 CB PHE A 37 156.968 5.460 -3.288 1.00 0.00 C ATOM 563 CG PHE A 37 157.636 4.477 -4.212 1.00 0.00 C ATOM 564 CD1 PHE A 37 158.813 4.808 -4.863 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.084 3.225 -4.431 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.426 3.910 -5.715 1.00 0.00 C ATOM 567 CE2 PHE A 37 157.693 2.322 -5.281 1.00 0.00 C ATOM 568 CZ PHE A 37 158.866 2.665 -5.924 1.00 0.00 C ATOM 0 H PHE A 37 155.157 6.907 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 37 157.529 7.474 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.607 5.615 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.037 5.025 -2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.257 5.780 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.166 2.952 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.343 4.181 -6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.252 1.349 -5.442 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.344 1.961 -6.589 1.00 0.00 H new ATOM 578 N ASN A 38 155.113 6.629 -5.796 1.00 0.00 N ATOM 579 CA ASN A 38 154.728 6.456 -7.192 1.00 0.00 C ATOM 580 C ASN A 38 154.811 7.758 -7.993 1.00 0.00 C ATOM 581 O ASN A 38 155.227 7.749 -9.151 1.00 0.00 O ATOM 582 CB ASN A 38 153.311 5.887 -7.278 1.00 0.00 C ATOM 583 CG ASN A 38 153.164 4.576 -6.528 1.00 0.00 C ATOM 584 OD1 ASN A 38 152.207 4.382 -5.778 1.00 0.00 O ATOM 585 ND2 ASN A 38 154.112 3.668 -6.727 1.00 0.00 N ATOM 0 H ASN A 38 154.329 6.720 -5.150 1.00 0.00 H new ATOM 0 HA ASN A 38 155.439 5.758 -7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.606 6.614 -6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.047 5.735 -8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 38 154.064 2.768 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 38 154.888 3.870 -7.357 1.00 0.00 H new ATOM 592 N LEU A 39 154.382 8.870 -7.397 1.00 0.00 N ATOM 593 CA LEU A 39 154.387 10.152 -8.102 1.00 0.00 C ATOM 594 C LEU A 39 155.522 11.082 -7.664 1.00 0.00 C ATOM 595 O LEU A 39 155.497 12.271 -7.983 1.00 0.00 O ATOM 596 CB LEU A 39 153.044 10.862 -7.908 1.00 0.00 C ATOM 597 CG LEU A 39 151.801 10.020 -8.214 1.00 0.00 C ATOM 598 CD1 LEU A 39 152.007 9.181 -9.467 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.446 9.138 -7.026 1.00 0.00 C ATOM 0 H LEU A 39 154.031 8.910 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 39 154.551 9.923 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.982 11.208 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.026 11.748 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 39 150.968 10.699 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 39 151.110 8.593 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.203 9.836 -10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.855 8.512 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.561 8.548 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.279 8.470 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.243 9.763 -6.156 1.00 0.00 H new ATOM 611 N GLN A 40 156.517 10.562 -6.948 1.00 0.00 N ATOM 612 CA GLN A 40 157.633 11.405 -6.510 1.00 0.00 C ATOM 613 C GLN A 40 158.947 10.628 -6.440 1.00 0.00 C ATOM 614 O GLN A 40 159.866 11.026 -5.725 1.00 0.00 O ATOM 615 CB GLN A 40 157.357 12.064 -5.146 1.00 0.00 C ATOM 616 CG GLN A 40 155.928 11.935 -4.636 1.00 0.00 C ATOM 617 CD GLN A 40 155.195 13.263 -4.597 1.00 0.00 C ATOM 618 OE1 GLN A 40 155.775 14.315 -4.868 1.00 0.00 O ATOM 619 NE2 GLN A 40 153.912 13.221 -4.259 1.00 0.00 N ATOM 0 H GLN A 40 156.577 9.584 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 40 157.729 12.186 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.029 11.627 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 40 157.606 13.123 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.380 11.242 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 40 155.942 11.503 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 40 153.471 12.327 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 40 153.367 14.082 -4.216 1.00 0.00 H new ATOM 628 N PHE A 41 159.046 9.535 -7.189 1.00 0.00 N ATOM 629 CA PHE A 41 160.271 8.737 -7.200 1.00 0.00 C ATOM 630 C PHE A 41 160.974 8.824 -8.553 1.00 0.00 C ATOM 631 O PHE A 41 162.131 8.428 -8.686 1.00 0.00 O ATOM 632 CB PHE A 41 159.974 7.278 -6.858 1.00 0.00 C ATOM 633 CG PHE A 41 161.200 6.500 -6.469 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.672 6.535 -5.167 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.882 5.738 -7.405 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.800 5.825 -4.804 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.012 5.026 -7.047 1.00 0.00 C ATOM 638 CZ PHE A 41 163.472 5.070 -5.745 1.00 0.00 C ATOM 0 H PHE A 41 158.302 9.182 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 41 160.936 9.146 -6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.254 7.242 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.504 6.798 -7.717 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.152 7.125 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.527 5.700 -8.424 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.156 5.860 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.535 4.436 -7.785 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.355 4.515 -5.464 1.00 0.00 H new ATOM 648 N GLU A 42 160.273 9.354 -9.552 1.00 0.00 N ATOM 649 CA GLU A 42 160.837 9.502 -10.888 1.00 0.00 C ATOM 650 C GLU A 42 161.570 10.833 -11.005 1.00 0.00 C ATOM 651 O GLU A 42 162.596 10.936 -11.679 1.00 0.00 O ATOM 652 CB GLU A 42 159.730 9.419 -11.940 1.00 0.00 C ATOM 653 CG GLU A 42 160.208 9.705 -13.355 1.00 0.00 C ATOM 654 CD GLU A 42 159.109 9.539 -14.386 1.00 0.00 C ATOM 655 OE1 GLU A 42 158.278 10.462 -14.522 1.00 0.00 O ATOM 656 OE2 GLU A 42 159.080 8.487 -15.058 1.00 0.00 O ATOM 0 H GLU A 42 159.314 9.688 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 42 161.547 8.693 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 159.287 8.424 -11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 42 158.942 10.127 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 42 160.597 10.722 -13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 161.033 9.036 -13.598 1.00 0.00 H new ATOM 663 N GLU A 43 161.034 11.846 -10.336 1.00 0.00 N ATOM 664 CA GLU A 43 161.628 13.178 -10.348 1.00 0.00 C ATOM 665 C GLU A 43 162.169 13.545 -8.968 1.00 0.00 C ATOM 666 O GLU A 43 163.075 14.371 -8.847 1.00 0.00 O ATOM 667 CB GLU A 43 160.598 14.216 -10.799 1.00 0.00 C ATOM 668 CG GLU A 43 159.419 14.355 -9.850 1.00 0.00 C ATOM 669 CD GLU A 43 158.389 15.353 -10.343 1.00 0.00 C ATOM 670 OE1 GLU A 43 158.560 16.562 -10.078 1.00 0.00 O ATOM 671 OE2 GLU A 43 157.413 14.926 -10.994 1.00 0.00 O ATOM 0 H GLU A 43 160.185 11.770 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 43 162.458 13.172 -11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 161.089 15.184 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.228 13.943 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 158.944 13.382 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 43 159.781 14.666 -8.870 1.00 0.00 H new ATOM 678 N ARG A 44 161.611 12.927 -7.929 1.00 0.00 N ATOM 679 CA ARG A 44 162.039 13.190 -6.561 1.00 0.00 C ATOM 680 C ARG A 44 162.570 11.916 -5.908 1.00 0.00 C ATOM 681 O ARG A 44 162.502 11.758 -4.690 1.00 0.00 O ATOM 682 CB ARG A 44 160.871 13.746 -5.742 1.00 0.00 C ATOM 683 CG ARG A 44 160.923 15.253 -5.548 1.00 0.00 C ATOM 684 CD ARG A 44 159.847 15.963 -6.355 1.00 0.00 C ATOM 685 NE ARG A 44 159.186 17.010 -5.579 1.00 0.00 N ATOM 686 CZ ARG A 44 157.986 17.506 -5.871 1.00 0.00 C ATOM 687 NH1 ARG A 44 157.312 17.058 -6.924 1.00 0.00 N ATOM 688 NH2 ARG A 44 157.458 18.453 -5.108 1.00 0.00 N ATOM 0 H ARG A 44 160.861 12.241 -8.011 1.00 0.00 H new ATOM 0 HA ARG A 44 162.841 13.928 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 44 159.935 13.484 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 44 160.861 13.263 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.799 15.488 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 44 161.904 15.624 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.292 16.400 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 44 159.106 15.237 -6.690 1.00 0.00 H new ATOM 0 HE ARG A 44 159.674 17.383 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 44 157.714 16.330 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 44 156.393 17.442 -7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 44 157.971 18.801 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 44 156.538 18.834 -5.331 1.00 0.00 H new ATOM 702 N GLY A 45 163.091 11.007 -6.727 1.00 0.00 N ATOM 703 CA GLY A 45 163.614 9.757 -6.208 1.00 0.00 C ATOM 704 C GLY A 45 165.128 9.685 -6.249 1.00 0.00 C ATOM 705 O GLY A 45 165.724 9.582 -7.321 1.00 0.00 O ATOM 0 H GLY A 45 163.160 11.114 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.277 9.628 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.201 8.929 -6.785 1.00 0.00 H new ATOM 709 N GLY A 46 165.749 9.728 -5.074 1.00 0.00 N ATOM 710 CA GLY A 46 167.194 9.654 -4.993 1.00 0.00 C ATOM 711 C GLY A 46 167.645 8.769 -3.853 1.00 0.00 C ATOM 712 O GLY A 46 167.047 8.786 -2.777 1.00 0.00 O ATOM 0 H GLY A 46 165.274 9.813 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.592 9.269 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.603 10.656 -4.860 1.00 0.00 H new ATOM 716 N VAL A 47 168.694 7.987 -4.080 1.00 0.00 N ATOM 717 CA VAL A 47 169.206 7.090 -3.053 1.00 0.00 C ATOM 718 C VAL A 47 170.666 7.393 -2.745 1.00 0.00 C ATOM 719 O VAL A 47 171.453 7.684 -3.646 1.00 0.00 O ATOM 720 CB VAL A 47 169.075 5.609 -3.477 1.00 0.00 C ATOM 721 CG1 VAL A 47 167.735 5.050 -3.030 1.00 0.00 C ATOM 722 CG2 VAL A 47 169.245 5.459 -4.983 1.00 0.00 C ATOM 0 H VAL A 47 169.204 7.956 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 47 168.605 7.255 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 47 169.868 5.041 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 47 167.656 4.007 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 47 167.656 5.118 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 47 166.930 5.624 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 47 169.149 4.408 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 47 168.478 6.039 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 47 170.230 5.822 -5.276 1.00 0.00 H new ATOM 732 N GLU A 48 171.022 7.327 -1.468 1.00 0.00 N ATOM 733 CA GLU A 48 172.389 7.599 -1.045 1.00 0.00 C ATOM 734 C GLU A 48 172.950 6.438 -0.232 1.00 0.00 C ATOM 735 O GLU A 48 172.308 5.954 0.702 1.00 0.00 O ATOM 736 CB GLU A 48 172.444 8.886 -0.220 1.00 0.00 C ATOM 737 CG GLU A 48 171.700 10.049 -0.856 1.00 0.00 C ATOM 738 CD GLU A 48 172.580 10.869 -1.778 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.678 11.276 -1.344 1.00 0.00 O ATOM 740 OE2 GLU A 48 172.173 11.102 -2.935 1.00 0.00 O ATOM 0 H GLU A 48 170.384 7.088 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 48 173.000 7.721 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 48 172.024 8.693 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 48 173.486 9.169 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.848 9.667 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.302 10.693 -0.072 1.00 0.00 H new ATOM 747 N PHE A 49 174.151 5.997 -0.591 1.00 0.00 N ATOM 748 CA PHE A 49 174.799 4.896 0.109 1.00 0.00 C ATOM 749 C PHE A 49 175.298 5.349 1.475 1.00 0.00 C ATOM 750 O PHE A 49 176.188 6.194 1.574 1.00 0.00 O ATOM 751 CB PHE A 49 175.964 4.352 -0.718 1.00 0.00 C ATOM 752 CG PHE A 49 176.661 3.188 -0.074 1.00 0.00 C ATOM 753 CD1 PHE A 49 176.217 1.894 -0.287 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.758 3.390 0.748 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.855 0.822 0.306 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.400 2.322 1.345 1.00 0.00 C ATOM 757 CZ PHE A 49 177.947 1.036 1.124 1.00 0.00 C ATOM 0 H PHE A 49 174.694 6.385 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 49 174.065 4.103 0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.594 4.048 -1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.686 5.151 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 49 175.362 1.721 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.115 4.394 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.500 -0.183 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.254 2.492 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.446 0.199 1.590 1.00 0.00 H new ATOM 767 N VAL A 50 174.718 4.783 2.526 1.00 0.00 N ATOM 768 CA VAL A 50 175.104 5.130 3.889 1.00 0.00 C ATOM 769 C VAL A 50 175.896 3.998 4.537 1.00 0.00 C ATOM 770 O VAL A 50 176.233 3.006 3.885 1.00 0.00 O ATOM 771 CB VAL A 50 173.878 5.468 4.768 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.612 6.965 4.757 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.647 4.701 4.306 1.00 0.00 C ATOM 0 H VAL A 50 173.979 4.082 2.462 1.00 0.00 H new ATOM 0 HA VAL A 50 175.732 6.018 3.821 1.00 0.00 H new ATOM 0 HB VAL A 50 174.100 5.163 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 50 172.746 7.185 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.483 7.492 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.416 7.292 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 50 171.799 4.957 4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.420 4.966 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 50 172.839 3.630 4.372 1.00 0.00 H new ATOM 783 N GLU A 51 176.183 4.142 5.826 1.00 0.00 N ATOM 784 CA GLU A 51 176.926 3.131 6.558 1.00 0.00 C ATOM 785 C GLU A 51 176.049 2.487 7.627 1.00 0.00 C ATOM 786 O GLU A 51 174.858 2.785 7.730 1.00 0.00 O ATOM 787 CB GLU A 51 178.170 3.756 7.194 1.00 0.00 C ATOM 788 CG GLU A 51 177.884 4.565 8.451 1.00 0.00 C ATOM 789 CD GLU A 51 178.752 5.803 8.557 1.00 0.00 C ATOM 790 OE1 GLU A 51 179.888 5.690 9.063 1.00 0.00 O ATOM 791 OE2 GLU A 51 178.297 6.886 8.133 1.00 0.00 O ATOM 0 H GLU A 51 175.911 4.952 6.384 1.00 0.00 H new ATOM 0 HA GLU A 51 177.238 2.354 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.878 2.964 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 178.654 4.402 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 51 176.835 4.860 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 178.045 3.937 9.327 1.00 0.00 H new ATOM 798 N THR A 52 176.644 1.608 8.420 1.00 0.00 N ATOM 799 CA THR A 52 175.917 0.925 9.481 1.00 0.00 C ATOM 800 C THR A 52 176.056 1.673 10.803 1.00 0.00 C ATOM 801 O THR A 52 176.961 2.489 10.975 1.00 0.00 O ATOM 802 CB THR A 52 176.435 -0.505 9.632 1.00 0.00 C ATOM 803 OG1 THR A 52 176.403 -1.183 8.389 1.00 0.00 O ATOM 804 CG2 THR A 52 175.646 -1.332 10.624 1.00 0.00 C ATOM 0 H THR A 52 177.628 1.351 8.349 1.00 0.00 H new ATOM 0 HA THR A 52 174.861 0.898 9.212 1.00 0.00 H new ATOM 0 HB THR A 52 177.455 -0.402 10.003 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.315 -1.428 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.069 -2.335 10.680 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.693 -0.863 11.607 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.607 -1.394 10.301 1.00 0.00 H new ATOM 812 N ALA A 53 175.160 1.378 11.737 1.00 0.00 N ATOM 813 CA ALA A 53 175.188 2.008 13.050 1.00 0.00 C ATOM 814 C ALA A 53 176.141 1.252 13.970 1.00 0.00 C ATOM 815 O ALA A 53 177.073 0.599 13.501 1.00 0.00 O ATOM 816 CB ALA A 53 173.783 2.047 13.642 1.00 0.00 C ATOM 0 H ALA A 53 174.404 0.705 11.609 1.00 0.00 H new ATOM 0 HA ALA A 53 175.546 3.032 12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 173.815 2.520 14.624 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.127 2.618 12.985 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.402 1.031 13.741 1.00 0.00 H new ATOM 822 N ASP A 54 175.898 1.320 15.273 1.00 0.00 N ATOM 823 CA ASP A 54 176.734 0.616 16.229 1.00 0.00 C ATOM 824 C ASP A 54 176.191 -0.791 16.431 1.00 0.00 C ATOM 825 O ASP A 54 176.944 -1.765 16.439 1.00 0.00 O ATOM 826 CB ASP A 54 176.775 1.363 17.563 1.00 0.00 C ATOM 827 CG ASP A 54 178.137 1.287 18.226 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.032 2.063 17.833 1.00 0.00 O ATOM 829 OD2 ASP A 54 178.307 0.451 19.138 1.00 0.00 O ATOM 0 H ASP A 54 175.133 1.853 15.687 1.00 0.00 H new ATOM 0 HA ASP A 54 177.751 0.561 15.840 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.511 2.408 17.400 1.00 0.00 H new ATOM 0 HB3 ASP A 54 176.024 0.946 18.233 1.00 0.00 H new ATOM 834 N ASP A 55 174.873 -0.890 16.592 1.00 0.00 N ATOM 835 CA ASP A 55 174.203 -2.170 16.793 1.00 0.00 C ATOM 836 C ASP A 55 172.738 -1.920 17.137 1.00 0.00 C ATOM 837 O ASP A 55 172.397 -1.688 18.297 1.00 0.00 O ATOM 838 CB ASP A 55 174.877 -2.968 17.913 1.00 0.00 C ATOM 839 CG ASP A 55 175.142 -2.125 19.145 1.00 0.00 C ATOM 840 OD1 ASP A 55 176.107 -1.332 19.126 1.00 0.00 O ATOM 841 OD2 ASP A 55 174.385 -2.258 20.130 1.00 0.00 O ATOM 0 H ASP A 55 174.243 -0.088 16.587 1.00 0.00 H new ATOM 0 HA ASP A 55 174.271 -2.753 15.875 1.00 0.00 H new ATOM 0 HB2 ASP A 55 174.245 -3.814 18.184 1.00 0.00 H new ATOM 0 HB3 ASP A 55 175.818 -3.378 17.547 1.00 0.00 H new ATOM 846 N TRP A 56 171.874 -1.939 16.123 1.00 0.00 N ATOM 847 CA TRP A 56 170.453 -1.681 16.339 1.00 0.00 C ATOM 848 C TRP A 56 169.607 -2.941 16.204 1.00 0.00 C ATOM 849 O TRP A 56 168.575 -2.936 15.533 1.00 0.00 O ATOM 850 CB TRP A 56 169.935 -0.594 15.388 1.00 0.00 C ATOM 851 CG TRP A 56 170.525 -0.624 14.008 1.00 0.00 C ATOM 852 CD1 TRP A 56 171.834 -0.438 13.667 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.815 -0.823 12.780 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.982 -0.518 12.304 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.757 -0.753 11.737 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.475 -1.058 12.463 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.400 -0.907 10.399 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.121 -1.212 11.136 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.078 -1.135 10.117 1.00 0.00 C ATOM 0 H TRP A 56 172.130 -2.128 15.154 1.00 0.00 H new ATOM 0 HA TRP A 56 170.357 -1.327 17.365 1.00 0.00 H new ATOM 0 HB2 TRP A 56 168.852 -0.690 15.306 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.136 0.381 15.831 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.636 -0.255 14.367 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.861 -0.419 11.796 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.729 -1.118 13.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 171.138 -0.849 9.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.088 -1.395 10.881 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.769 -1.258 9.089 1.00 0.00 H new ATOM 870 N GLU A 57 170.042 -4.014 16.853 1.00 0.00 N ATOM 871 CA GLU A 57 169.310 -5.276 16.815 1.00 0.00 C ATOM 872 C GLU A 57 167.985 -5.146 17.569 1.00 0.00 C ATOM 873 O GLU A 57 167.772 -5.801 18.590 1.00 0.00 O ATOM 874 CB GLU A 57 170.154 -6.398 17.423 1.00 0.00 C ATOM 875 CG GLU A 57 170.739 -6.050 18.782 1.00 0.00 C ATOM 876 CD GLU A 57 170.772 -7.238 19.724 1.00 0.00 C ATOM 877 OE1 GLU A 57 171.768 -7.992 19.693 1.00 0.00 O ATOM 878 OE2 GLU A 57 169.804 -7.414 20.492 1.00 0.00 O ATOM 0 H GLU A 57 170.896 -4.037 17.411 1.00 0.00 H new ATOM 0 HA GLU A 57 169.097 -5.522 15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.539 -7.293 17.520 1.00 0.00 H new ATOM 0 HB3 GLU A 57 170.966 -6.642 16.739 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.751 -5.667 18.651 1.00 0.00 H new ATOM 0 HG3 GLU A 57 170.151 -5.250 19.232 1.00 0.00 H new ATOM 885 N GLU A 58 167.103 -4.288 17.062 1.00 0.00 N ATOM 886 CA GLU A 58 165.805 -4.056 17.685 1.00 0.00 C ATOM 887 C GLU A 58 164.763 -3.641 16.647 1.00 0.00 C ATOM 888 O GLU A 58 163.620 -4.097 16.684 1.00 0.00 O ATOM 889 CB GLU A 58 165.929 -2.975 18.757 1.00 0.00 C ATOM 890 CG GLU A 58 165.182 -3.299 20.041 1.00 0.00 C ATOM 891 CD GLU A 58 165.250 -2.173 21.054 1.00 0.00 C ATOM 892 OE1 GLU A 58 166.293 -1.489 21.113 1.00 0.00 O ATOM 893 OE2 GLU A 58 164.259 -1.976 21.789 1.00 0.00 O ATOM 0 H GLU A 58 167.266 -3.740 16.217 1.00 0.00 H new ATOM 0 HA GLU A 58 165.476 -4.988 18.145 1.00 0.00 H new ATOM 0 HB2 GLU A 58 166.983 -2.825 18.989 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.553 -2.034 18.356 1.00 0.00 H new ATOM 0 HG2 GLU A 58 164.139 -3.510 19.807 1.00 0.00 H new ATOM 0 HG3 GLU A 58 165.599 -4.205 20.481 1.00 0.00 H new ATOM 900 N GLU A 59 165.169 -2.781 15.715 1.00 0.00 N ATOM 901 CA GLU A 59 164.274 -2.315 14.661 1.00 0.00 C ATOM 902 C GLU A 59 164.093 -3.397 13.606 1.00 0.00 C ATOM 903 O GLU A 59 162.972 -3.801 13.294 1.00 0.00 O ATOM 904 CB GLU A 59 164.834 -1.052 14.003 1.00 0.00 C ATOM 905 CG GLU A 59 164.656 0.208 14.831 1.00 0.00 C ATOM 906 CD GLU A 59 163.224 0.413 15.284 1.00 0.00 C ATOM 907 OE1 GLU A 59 162.831 -0.192 16.304 1.00 0.00 O ATOM 908 OE2 GLU A 59 162.494 1.179 14.620 1.00 0.00 O ATOM 0 H GLU A 59 166.112 -2.394 15.669 1.00 0.00 H new ATOM 0 HA GLU A 59 163.308 -2.085 15.111 1.00 0.00 H new ATOM 0 HB2 GLU A 59 165.896 -1.198 13.806 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.347 -0.912 13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.306 0.158 15.705 1.00 0.00 H new ATOM 0 HG3 GLU A 59 164.975 1.071 14.246 1.00 0.00 H new ATOM 915 N ILE A 60 165.212 -3.860 13.064 1.00 0.00 N ATOM 916 CA ILE A 60 165.204 -4.899 12.041 1.00 0.00 C ATOM 917 C ILE A 60 165.138 -6.293 12.665 1.00 0.00 C ATOM 918 O ILE A 60 164.870 -7.277 11.975 1.00 0.00 O ATOM 919 CB ILE A 60 166.451 -4.806 11.135 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.715 -4.597 11.977 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.286 -3.678 10.126 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.991 -4.559 11.166 1.00 0.00 C ATOM 0 H ILE A 60 166.143 -3.530 13.318 1.00 0.00 H new ATOM 0 HA ILE A 60 164.312 -4.738 11.435 1.00 0.00 H new ATOM 0 HB ILE A 60 166.556 -5.745 10.591 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.620 -3.663 12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.787 -5.398 12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.172 -3.623 9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.409 -3.869 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.158 -2.733 10.654 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.841 -4.408 11.832 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.111 -5.502 10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.942 -3.740 10.449 1.00 0.00 H new ATOM 934 N GLY A 61 165.382 -6.372 13.972 1.00 0.00 N ATOM 935 CA GLY A 61 165.342 -7.651 14.658 1.00 0.00 C ATOM 936 C GLY A 61 166.402 -8.611 14.156 1.00 0.00 C ATOM 937 O GLY A 61 166.103 -9.531 13.396 1.00 0.00 O ATOM 0 H GLY A 61 165.606 -5.574 14.566 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.478 -7.491 15.727 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.358 -8.100 14.526 1.00 0.00 H new ATOM 941 N VAL A 62 167.642 -8.401 14.592 1.00 0.00 N ATOM 942 CA VAL A 62 168.764 -9.253 14.198 1.00 0.00 C ATOM 943 C VAL A 62 170.086 -8.640 14.635 1.00 0.00 C ATOM 944 O VAL A 62 170.224 -7.419 14.696 1.00 0.00 O ATOM 945 CB VAL A 62 168.828 -9.506 12.671 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.232 -10.861 12.330 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.142 -8.393 11.888 1.00 0.00 C ATOM 0 H VAL A 62 167.897 -7.642 15.224 1.00 0.00 H new ATOM 0 HA VAL A 62 168.598 -10.208 14.696 1.00 0.00 H new ATOM 0 HB VAL A 62 169.878 -9.508 12.377 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.286 -11.021 11.253 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.792 -11.644 12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 62 167.190 -10.891 12.650 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.207 -8.605 10.821 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.094 -8.333 12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.633 -7.443 12.100 1.00 0.00 H new ATOM 957 N LEU A 63 171.060 -9.492 14.932 1.00 0.00 N ATOM 958 CA LEU A 63 172.375 -9.025 15.355 1.00 0.00 C ATOM 959 C LEU A 63 173.014 -8.180 14.258 1.00 0.00 C ATOM 960 O LEU A 63 173.134 -8.619 13.115 1.00 0.00 O ATOM 961 CB LEU A 63 173.277 -10.211 15.700 1.00 0.00 C ATOM 962 CG LEU A 63 173.292 -10.601 17.182 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.006 -12.086 17.350 1.00 0.00 C ATOM 964 CD2 LEU A 63 174.627 -10.239 17.816 1.00 0.00 C ATOM 0 H LEU A 63 170.965 -10.507 14.888 1.00 0.00 H new ATOM 0 HA LEU A 63 172.253 -8.409 16.246 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.957 -11.074 15.116 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.296 -9.976 15.391 1.00 0.00 H new ATOM 0 HG LEU A 63 172.506 -10.042 17.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 173.021 -12.342 18.409 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.025 -12.317 16.935 1.00 0.00 H new ATOM 0 HD13 LEU A 63 173.767 -12.665 16.826 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.619 -10.523 18.868 1.00 0.00 H new ATOM 0 HD22 LEU A 63 175.429 -10.769 17.303 1.00 0.00 H new ATOM 0 HD23 LEU A 63 174.790 -9.165 17.732 1.00 0.00 H new ATOM 976 N ILE A 64 173.413 -6.962 14.608 1.00 0.00 N ATOM 977 CA ILE A 64 174.026 -6.059 13.643 1.00 0.00 C ATOM 978 C ILE A 64 175.543 -6.030 13.781 1.00 0.00 C ATOM 979 O ILE A 64 176.083 -6.135 14.883 1.00 0.00 O ATOM 980 CB ILE A 64 173.481 -4.622 13.783 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.970 -4.641 14.027 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.812 -3.810 12.540 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.206 -5.485 13.031 1.00 0.00 C ATOM 0 H ILE A 64 173.323 -6.579 15.549 1.00 0.00 H new ATOM 0 HA ILE A 64 173.767 -6.445 12.657 1.00 0.00 H new ATOM 0 HB ILE A 64 173.959 -4.152 14.642 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.777 -5.017 15.032 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.592 -3.619 13.991 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.422 -2.798 12.652 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.893 -3.770 12.409 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.358 -4.279 11.667 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.142 -5.451 13.266 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.368 -5.097 12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.557 -6.516 13.083 1.00 0.00 H new ATOM 995 N ASP A 65 176.221 -5.882 12.649 1.00 0.00 N ATOM 996 CA ASP A 65 177.677 -5.831 12.620 1.00 0.00 C ATOM 997 C ASP A 65 178.150 -4.834 11.564 1.00 0.00 C ATOM 998 O ASP A 65 178.248 -5.172 10.385 1.00 0.00 O ATOM 999 CB ASP A 65 178.251 -7.220 12.326 1.00 0.00 C ATOM 1000 CG ASP A 65 179.116 -7.739 13.458 1.00 0.00 C ATOM 1001 OD1 ASP A 65 179.978 -6.977 13.944 1.00 0.00 O ATOM 1002 OD2 ASP A 65 178.932 -8.908 13.858 1.00 0.00 O ATOM 0 H ASP A 65 175.781 -5.795 11.733 1.00 0.00 H new ATOM 0 HA ASP A 65 178.033 -5.504 13.597 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.433 -7.918 12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 65 178.841 -7.180 11.410 1.00 0.00 H new ATOM 1007 N PRO A 66 178.445 -3.583 11.966 1.00 0.00 N ATOM 1008 CA PRO A 66 178.899 -2.546 11.038 1.00 0.00 C ATOM 1009 C PRO A 66 180.039 -3.028 10.149 1.00 0.00 C ATOM 1010 O PRO A 66 180.708 -4.013 10.461 1.00 0.00 O ATOM 1011 CB PRO A 66 179.364 -1.400 11.952 1.00 0.00 C ATOM 1012 CG PRO A 66 179.365 -1.961 13.338 1.00 0.00 C ATOM 1013 CD PRO A 66 178.361 -3.076 13.341 1.00 0.00 C ATOM 0 HA PRO A 66 178.109 -2.248 10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.358 -1.053 11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.694 -0.543 11.877 1.00 0.00 H new ATOM 0 HG2 PRO A 66 180.355 -2.328 13.608 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.099 -1.196 14.067 1.00 0.00 H new ATOM 0 HD2 PRO A 66 178.610 -3.844 14.073 1.00 0.00 H new ATOM 0 HD3 PRO A 66 177.359 -2.720 13.582 1.00 0.00 H new ATOM 1021 N GLU A 67 180.247 -2.335 9.032 1.00 0.00 N ATOM 1022 CA GLU A 67 181.297 -2.698 8.084 1.00 0.00 C ATOM 1023 C GLU A 67 180.917 -3.966 7.323 1.00 0.00 C ATOM 1024 O GLU A 67 180.818 -3.958 6.096 1.00 0.00 O ATOM 1025 CB GLU A 67 182.637 -2.893 8.803 1.00 0.00 C ATOM 1026 CG GLU A 67 183.705 -1.901 8.373 1.00 0.00 C ATOM 1027 CD GLU A 67 185.032 -2.136 9.066 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.039 -2.263 10.308 1.00 0.00 O ATOM 1029 OE2 GLU A 67 186.065 -2.193 8.366 1.00 0.00 O ATOM 0 H GLU A 67 179.701 -1.517 8.761 1.00 0.00 H new ATOM 0 HA GLU A 67 181.405 -1.881 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.480 -2.803 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 67 182.996 -3.905 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.846 -1.969 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.362 -0.889 8.586 1.00 0.00 H new ATOM 1036 N GLU A 68 180.700 -5.052 8.061 1.00 0.00 N ATOM 1037 CA GLU A 68 180.324 -6.327 7.461 1.00 0.00 C ATOM 1038 C GLU A 68 179.132 -6.161 6.520 1.00 0.00 C ATOM 1039 O GLU A 68 178.985 -6.908 5.553 1.00 0.00 O ATOM 1040 CB GLU A 68 179.988 -7.341 8.558 1.00 0.00 C ATOM 1041 CG GLU A 68 181.161 -8.229 8.941 1.00 0.00 C ATOM 1042 CD GLU A 68 181.147 -8.611 10.409 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.142 -9.199 10.860 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.141 -8.321 11.107 1.00 0.00 O ATOM 0 H GLU A 68 180.779 -5.073 9.078 1.00 0.00 H new ATOM 0 HA GLU A 68 181.169 -6.692 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.643 -6.806 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.162 -7.968 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.141 -9.134 8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.093 -7.712 8.712 1.00 0.00 H new ATOM 1051 N TYR A 69 178.286 -5.176 6.810 1.00 0.00 N ATOM 1052 CA TYR A 69 177.108 -4.913 5.988 1.00 0.00 C ATOM 1053 C TYR A 69 177.105 -3.475 5.476 1.00 0.00 C ATOM 1054 O TYR A 69 177.566 -2.561 6.159 1.00 0.00 O ATOM 1055 CB TYR A 69 175.829 -5.176 6.786 1.00 0.00 C ATOM 1056 CG TYR A 69 175.812 -6.512 7.494 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.508 -7.681 6.808 1.00 0.00 C ATOM 1058 CD2 TYR A 69 176.097 -6.604 8.850 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.490 -8.903 7.453 1.00 0.00 C ATOM 1060 CE2 TYR A 69 176.081 -7.822 9.503 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.777 -8.968 8.800 1.00 0.00 C ATOM 1062 OH TYR A 69 175.760 -10.183 9.446 1.00 0.00 O ATOM 0 H TYR A 69 178.394 -4.548 7.606 1.00 0.00 H new ATOM 0 HA TYR A 69 177.144 -5.587 5.132 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.703 -4.383 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.974 -5.122 6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.282 -7.634 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.335 -5.708 9.404 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.252 -9.803 6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 69 176.305 -7.876 10.558 1.00 0.00 H new ATOM 0 HH TYR A 69 175.985 -10.054 10.391 1.00 0.00 H new ATOM 1072 N ALA A 70 176.569 -3.283 4.274 1.00 0.00 N ATOM 1073 CA ALA A 70 176.488 -1.956 3.673 1.00 0.00 C ATOM 1074 C ALA A 70 175.091 -1.377 3.859 1.00 0.00 C ATOM 1075 O ALA A 70 174.097 -2.096 3.752 1.00 0.00 O ATOM 1076 CB ALA A 70 176.850 -2.021 2.196 1.00 0.00 C ATOM 0 H ALA A 70 176.184 -4.031 3.697 1.00 0.00 H new ATOM 0 HA ALA A 70 177.202 -1.301 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.785 -1.024 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.867 -2.399 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 70 176.158 -2.687 1.681 1.00 0.00 H new ATOM 1082 N GLU A 71 175.014 -0.080 4.150 1.00 0.00 N ATOM 1083 CA GLU A 71 173.728 0.569 4.364 1.00 0.00 C ATOM 1084 C GLU A 71 173.342 1.446 3.179 1.00 0.00 C ATOM 1085 O GLU A 71 174.125 2.280 2.726 1.00 0.00 O ATOM 1086 CB GLU A 71 173.766 1.408 5.644 1.00 0.00 C ATOM 1087 CG GLU A 71 172.429 2.038 6.008 1.00 0.00 C ATOM 1088 CD GLU A 71 171.505 1.074 6.724 1.00 0.00 C ATOM 1089 OE1 GLU A 71 171.696 0.861 7.940 1.00 0.00 O ATOM 1090 OE2 GLU A 71 170.591 0.531 6.070 1.00 0.00 O ATOM 0 H GLU A 71 175.822 0.536 4.242 1.00 0.00 H new ATOM 0 HA GLU A 71 172.974 -0.212 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.097 0.778 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.509 2.197 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.602 2.908 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.942 2.396 5.101 1.00 0.00 H new ATOM 1097 N VAL A 72 172.120 1.258 2.692 1.00 0.00 N ATOM 1098 CA VAL A 72 171.612 2.037 1.571 1.00 0.00 C ATOM 1099 C VAL A 72 170.222 2.575 1.892 1.00 0.00 C ATOM 1100 O VAL A 72 169.311 1.817 2.223 1.00 0.00 O ATOM 1101 CB VAL A 72 171.584 1.204 0.265 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.321 1.465 -0.549 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.820 1.505 -0.566 1.00 0.00 C ATOM 0 H VAL A 72 171.462 0.570 3.058 1.00 0.00 H new ATOM 0 HA VAL A 72 172.289 2.876 1.411 1.00 0.00 H new ATOM 0 HB VAL A 72 171.580 0.150 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.342 0.861 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.445 1.200 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.272 2.521 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.794 0.916 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.841 2.566 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.713 1.249 0.004 1.00 0.00 H new ATOM 1113 N TRP A 73 170.076 3.890 1.807 1.00 0.00 N ATOM 1114 CA TRP A 73 168.802 4.534 2.105 1.00 0.00 C ATOM 1115 C TRP A 73 168.107 5.014 0.838 1.00 0.00 C ATOM 1116 O TRP A 73 168.755 5.444 -0.118 1.00 0.00 O ATOM 1117 CB TRP A 73 169.017 5.703 3.068 1.00 0.00 C ATOM 1118 CG TRP A 73 169.066 5.268 4.499 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.316 4.007 4.953 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.857 6.080 5.660 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.272 3.980 6.324 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.992 5.240 6.782 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.568 7.432 5.863 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.847 5.706 8.084 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.426 7.895 7.158 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.564 7.034 8.254 1.00 0.00 C ATOM 0 H TRP A 73 170.821 4.531 1.535 1.00 0.00 H new ATOM 0 HA TRP A 73 168.155 3.794 2.577 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.947 6.211 2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.213 6.427 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.519 3.153 4.324 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.423 3.157 6.907 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.458 8.103 5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.954 5.044 8.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.205 8.938 7.327 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.445 7.426 9.253 1.00 0.00 H new ATOM 1137 N VAL A 74 166.778 4.948 0.847 1.00 0.00 N ATOM 1138 CA VAL A 74 165.976 5.383 -0.289 1.00 0.00 C ATOM 1139 C VAL A 74 164.916 6.376 0.163 1.00 0.00 C ATOM 1140 O VAL A 74 163.902 5.992 0.741 1.00 0.00 O ATOM 1141 CB VAL A 74 165.283 4.201 -0.992 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.770 4.630 -2.357 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.225 3.009 -1.112 1.00 0.00 C ATOM 0 H VAL A 74 166.233 4.595 1.634 1.00 0.00 H new ATOM 0 HA VAL A 74 166.657 5.855 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 74 164.432 3.889 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.282 3.786 -2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 74 164.054 5.443 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.605 4.969 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.711 2.188 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.102 3.295 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.537 2.690 -0.117 1.00 0.00 H new ATOM 1153 N GLY A 75 165.171 7.654 -0.084 1.00 0.00 N ATOM 1154 CA GLY A 75 164.239 8.691 0.330 1.00 0.00 C ATOM 1155 C GLY A 75 163.557 9.392 -0.829 1.00 0.00 C ATOM 1156 O GLY A 75 163.241 8.772 -1.844 1.00 0.00 O ATOM 0 H GLY A 75 166.005 7.994 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.479 8.249 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.773 9.430 0.928 1.00 0.00 H new ATOM 1160 N LEU A 76 163.338 10.696 -0.671 1.00 0.00 N ATOM 1161 CA LEU A 76 162.693 11.504 -1.711 1.00 0.00 C ATOM 1162 C LEU A 76 163.389 12.857 -1.834 1.00 0.00 C ATOM 1163 O LEU A 76 162.792 13.909 -1.603 1.00 0.00 O ATOM 1164 CB LEU A 76 161.192 11.697 -1.418 1.00 0.00 C ATOM 1165 CG LEU A 76 160.250 11.349 -2.577 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.601 9.992 -3.170 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.800 11.372 -2.108 1.00 0.00 C ATOM 0 H LEU A 76 163.597 11.218 0.166 1.00 0.00 H new ATOM 0 HA LEU A 76 162.783 10.971 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.925 11.084 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.024 12.736 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 76 160.373 12.101 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.920 9.766 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.625 10.012 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.510 9.225 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.144 11.123 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.664 10.643 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.553 12.367 -1.737 1.00 0.00 H new ATOM 1179 N VAL A 77 164.669 12.807 -2.184 1.00 0.00 N ATOM 1180 CA VAL A 77 165.490 14.007 -2.327 1.00 0.00 C ATOM 1181 C VAL A 77 164.802 15.093 -3.141 1.00 0.00 C ATOM 1182 O VAL A 77 163.715 14.894 -3.684 1.00 0.00 O ATOM 1183 CB VAL A 77 166.843 13.681 -2.976 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.741 12.961 -1.986 1.00 0.00 C ATOM 1185 CG2 VAL A 77 166.646 12.853 -4.235 1.00 0.00 C ATOM 0 H VAL A 77 165.167 11.938 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 77 165.646 14.383 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 77 167.328 14.615 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.697 12.736 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.907 13.597 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.264 12.033 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.616 12.632 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.142 11.920 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.039 13.412 -4.947 1.00 0.00 H new ATOM 1195 N ASN A 78 165.453 16.249 -3.208 1.00 0.00 N ATOM 1196 CA ASN A 78 164.925 17.390 -3.940 1.00 0.00 C ATOM 1197 C ASN A 78 165.989 17.986 -4.870 1.00 0.00 C ATOM 1198 O ASN A 78 166.626 17.261 -5.634 1.00 0.00 O ATOM 1199 CB ASN A 78 164.381 18.430 -2.951 1.00 0.00 C ATOM 1200 CG ASN A 78 165.414 18.859 -1.928 1.00 0.00 C ATOM 1201 OD1 ASN A 78 166.472 19.382 -2.277 1.00 0.00 O ATOM 1202 ND2 ASN A 78 165.109 18.639 -0.654 1.00 0.00 N ATOM 0 H ASN A 78 166.353 16.419 -2.760 1.00 0.00 H new ATOM 0 HA ASN A 78 164.102 17.060 -4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 78 164.036 19.305 -3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 78 163.514 18.017 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 78 165.764 18.907 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 78 164.220 18.202 -0.410 1.00 0.00 H new ATOM 1209 N GLU A 79 166.161 19.303 -4.827 1.00 0.00 N ATOM 1210 CA GLU A 79 167.123 19.984 -5.689 1.00 0.00 C ATOM 1211 C GLU A 79 168.567 19.843 -5.201 1.00 0.00 C ATOM 1212 O GLU A 79 169.501 20.007 -5.987 1.00 0.00 O ATOM 1213 CB GLU A 79 166.766 21.468 -5.798 1.00 0.00 C ATOM 1214 CG GLU A 79 165.325 21.719 -6.211 1.00 0.00 C ATOM 1215 CD GLU A 79 164.824 23.082 -5.774 1.00 0.00 C ATOM 1216 OE1 GLU A 79 165.382 24.097 -6.241 1.00 0.00 O ATOM 1217 OE2 GLU A 79 163.874 23.134 -4.965 1.00 0.00 O ATOM 0 H GLU A 79 165.645 19.923 -4.202 1.00 0.00 H new ATOM 0 HA GLU A 79 167.063 19.504 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 79 166.948 21.948 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 79 167.430 21.941 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 165.241 21.635 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 164.688 20.946 -5.781 1.00 0.00 H new ATOM 1224 N GLN A 80 168.765 19.560 -3.915 1.00 0.00 N ATOM 1225 CA GLN A 80 170.110 19.432 -3.379 1.00 0.00 C ATOM 1226 C GLN A 80 170.582 17.978 -3.381 1.00 0.00 C ATOM 1227 O GLN A 80 171.184 17.518 -4.351 1.00 0.00 O ATOM 1228 CB GLN A 80 170.183 20.033 -1.969 1.00 0.00 C ATOM 1229 CG GLN A 80 168.903 19.889 -1.156 1.00 0.00 C ATOM 1230 CD GLN A 80 169.121 20.125 0.326 1.00 0.00 C ATOM 1231 OE1 GLN A 80 168.411 20.913 0.951 1.00 0.00 O ATOM 1232 NE2 GLN A 80 170.107 19.443 0.899 1.00 0.00 N ATOM 0 H GLN A 80 168.018 19.417 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 80 170.784 19.990 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.999 19.556 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.430 21.092 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.161 20.596 -1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.494 18.890 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 80 170.672 18.800 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 80 170.299 19.563 1.894 1.00 0.00 H new ATOM 1241 N ASP A 81 170.324 17.263 -2.293 1.00 0.00 N ATOM 1242 CA ASP A 81 170.748 15.868 -2.187 1.00 0.00 C ATOM 1243 C ASP A 81 170.208 15.202 -0.923 1.00 0.00 C ATOM 1244 O ASP A 81 169.956 13.999 -0.912 1.00 0.00 O ATOM 1245 CB ASP A 81 172.275 15.783 -2.202 1.00 0.00 C ATOM 1246 CG ASP A 81 172.909 16.558 -1.063 1.00 0.00 C ATOM 1247 OD1 ASP A 81 172.761 16.130 0.101 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.552 17.594 -1.336 1.00 0.00 O ATOM 0 H ASP A 81 169.828 17.620 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 81 170.339 15.335 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.578 14.738 -2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.648 16.167 -3.151 1.00 0.00 H new ATOM 1253 N GLU A 82 170.037 15.979 0.141 1.00 0.00 N ATOM 1254 CA GLU A 82 169.526 15.440 1.396 1.00 0.00 C ATOM 1255 C GLU A 82 168.077 14.997 1.231 1.00 0.00 C ATOM 1256 O GLU A 82 167.169 15.825 1.173 1.00 0.00 O ATOM 1257 CB GLU A 82 169.632 16.483 2.509 1.00 0.00 C ATOM 1258 CG GLU A 82 171.053 16.955 2.768 1.00 0.00 C ATOM 1259 CD GLU A 82 171.127 18.023 3.842 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.375 17.921 4.833 1.00 0.00 O ATOM 1261 OE2 GLU A 82 171.938 18.961 3.691 1.00 0.00 O ATOM 0 H GLU A 82 170.243 16.978 0.160 1.00 0.00 H new ATOM 0 HA GLU A 82 170.130 14.575 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.014 17.343 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 82 169.224 16.063 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 82 171.666 16.104 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 82 171.476 17.346 1.843 1.00 0.00 H new ATOM 1268 N MET A 83 167.867 13.686 1.139 1.00 0.00 N ATOM 1269 CA MET A 83 166.522 13.142 0.960 1.00 0.00 C ATOM 1270 C MET A 83 165.545 13.721 1.979 1.00 0.00 C ATOM 1271 O MET A 83 164.342 13.787 1.727 1.00 0.00 O ATOM 1272 CB MET A 83 166.520 11.606 1.031 1.00 0.00 C ATOM 1273 CG MET A 83 167.489 11.007 2.040 1.00 0.00 C ATOM 1274 SD MET A 83 167.604 9.213 1.896 1.00 0.00 S ATOM 1275 CE MET A 83 168.108 9.038 0.185 1.00 0.00 C ATOM 0 H MET A 83 168.605 12.984 1.185 1.00 0.00 H new ATOM 0 HA MET A 83 166.191 13.436 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 83 165.512 11.270 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 83 166.758 11.211 0.043 1.00 0.00 H new ATOM 0 HG2 MET A 83 168.477 11.445 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 83 167.168 11.269 3.048 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.358 7.996 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.292 9.348 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 83 168.981 9.663 -0.003 1.00 0.00 H new ATOM 1285 N ASP A 84 166.064 14.145 3.127 1.00 0.00 N ATOM 1286 CA ASP A 84 165.235 14.725 4.185 1.00 0.00 C ATOM 1287 C ASP A 84 164.264 13.700 4.781 1.00 0.00 C ATOM 1288 O ASP A 84 163.768 13.882 5.893 1.00 0.00 O ATOM 1289 CB ASP A 84 164.457 15.928 3.647 1.00 0.00 C ATOM 1290 CG ASP A 84 165.111 17.248 4.006 1.00 0.00 C ATOM 1291 OD1 ASP A 84 166.358 17.317 3.983 1.00 0.00 O ATOM 1292 OD2 ASP A 84 164.377 18.211 4.309 1.00 0.00 O ATOM 0 H ASP A 84 167.058 14.099 3.351 1.00 0.00 H new ATOM 0 HA ASP A 84 165.904 15.049 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 84 164.376 15.849 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 84 163.442 15.908 4.045 1.00 0.00 H new ATOM 1297 N ASP A 85 163.993 12.630 4.040 1.00 0.00 N ATOM 1298 CA ASP A 85 163.085 11.589 4.491 1.00 0.00 C ATOM 1299 C ASP A 85 163.384 10.288 3.758 1.00 0.00 C ATOM 1300 O ASP A 85 163.511 10.268 2.532 1.00 0.00 O ATOM 1301 CB ASP A 85 161.631 12.008 4.257 1.00 0.00 C ATOM 1302 CG ASP A 85 160.852 12.137 5.551 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.076 11.313 6.463 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.018 13.061 5.653 1.00 0.00 O ATOM 0 H ASP A 85 164.395 12.464 3.117 1.00 0.00 H new ATOM 0 HA ASP A 85 163.230 11.435 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.611 12.960 3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.143 11.275 3.614 1.00 0.00 H new ATOM 1309 N VAL A 86 163.505 9.207 4.515 1.00 0.00 N ATOM 1310 CA VAL A 86 163.802 7.902 3.939 1.00 0.00 C ATOM 1311 C VAL A 86 162.543 7.044 3.842 1.00 0.00 C ATOM 1312 O VAL A 86 161.750 6.970 4.780 1.00 0.00 O ATOM 1313 CB VAL A 86 164.900 7.156 4.750 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.943 7.646 6.190 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.702 5.644 4.703 1.00 0.00 C ATOM 0 H VAL A 86 163.402 9.207 5.530 1.00 0.00 H new ATOM 0 HA VAL A 86 164.183 8.074 2.932 1.00 0.00 H new ATOM 0 HB VAL A 86 165.858 7.381 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.719 7.108 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 86 165.163 8.713 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.978 7.468 6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.487 5.156 5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.730 5.391 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 86 164.747 5.303 3.669 1.00 0.00 H new ATOM 1325 N PHE A 87 162.377 6.394 2.695 1.00 0.00 N ATOM 1326 CA PHE A 87 161.228 5.531 2.453 1.00 0.00 C ATOM 1327 C PHE A 87 161.530 4.109 2.903 1.00 0.00 C ATOM 1328 O PHE A 87 160.657 3.407 3.413 1.00 0.00 O ATOM 1329 CB PHE A 87 160.867 5.534 0.967 1.00 0.00 C ATOM 1330 CG PHE A 87 159.849 6.571 0.597 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.498 6.277 0.644 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.243 7.837 0.201 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.557 7.228 0.303 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.307 8.792 -0.142 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.962 8.487 -0.090 1.00 0.00 C ATOM 0 H PHE A 87 163.030 6.450 1.913 1.00 0.00 H new ATOM 0 HA PHE A 87 160.384 5.914 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.772 5.701 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.487 4.550 0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.176 5.293 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.294 8.081 0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.505 6.987 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.627 9.776 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.228 9.233 -0.357 1.00 0.00 H new ATOM 1345 N ALA A 88 162.778 3.693 2.715 1.00 0.00 N ATOM 1346 CA ALA A 88 163.211 2.359 3.104 1.00 0.00 C ATOM 1347 C ALA A 88 164.722 2.328 3.293 1.00 0.00 C ATOM 1348 O ALA A 88 165.432 3.223 2.836 1.00 0.00 O ATOM 1349 CB ALA A 88 162.784 1.333 2.062 1.00 0.00 C ATOM 0 H ALA A 88 163.510 4.265 2.293 1.00 0.00 H new ATOM 0 HA ALA A 88 162.736 2.104 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.116 0.342 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.698 1.339 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.232 1.583 1.100 1.00 0.00 H new ATOM 1355 N LYS A 89 165.208 1.295 3.965 1.00 0.00 N ATOM 1356 CA LYS A 89 166.637 1.142 4.215 1.00 0.00 C ATOM 1357 C LYS A 89 167.052 -0.281 3.868 1.00 0.00 C ATOM 1358 O LYS A 89 166.258 -1.204 4.015 1.00 0.00 O ATOM 1359 CB LYS A 89 166.958 1.461 5.681 1.00 0.00 C ATOM 1360 CG LYS A 89 165.853 2.234 6.395 1.00 0.00 C ATOM 1361 CD LYS A 89 166.413 3.176 7.444 1.00 0.00 C ATOM 1362 CE LYS A 89 165.304 3.876 8.215 1.00 0.00 C ATOM 1363 NZ LYS A 89 165.800 5.086 8.926 1.00 0.00 N ATOM 0 H LYS A 89 164.632 0.546 4.349 1.00 0.00 H new ATOM 0 HA LYS A 89 167.195 1.840 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.141 0.529 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.881 2.040 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.278 2.803 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.165 1.532 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.042 2.618 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 89 167.049 3.920 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.507 4.160 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 89 164.870 3.183 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 165.782 4.917 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.774 5.290 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 165.190 5.897 8.698 1.00 0.00 H new ATOM 1377 N PHE A 90 168.276 -0.468 3.384 1.00 0.00 N ATOM 1378 CA PHE A 90 168.719 -1.806 3.004 1.00 0.00 C ATOM 1379 C PHE A 90 170.119 -2.134 3.510 1.00 0.00 C ATOM 1380 O PHE A 90 171.048 -1.336 3.390 1.00 0.00 O ATOM 1381 CB PHE A 90 168.682 -1.956 1.483 1.00 0.00 C ATOM 1382 CG PHE A 90 167.309 -1.799 0.896 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.707 -0.552 0.833 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.621 -2.897 0.406 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.444 -0.404 0.293 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.358 -2.755 -0.136 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.769 -1.507 -0.193 1.00 0.00 C ATOM 0 H PHE A 90 168.966 0.271 3.247 1.00 0.00 H new ATOM 0 HA PHE A 90 168.031 -2.509 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.345 -1.215 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 90 169.073 -2.937 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.231 0.314 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 90 167.077 -3.875 0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 90 164.985 0.573 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.832 -3.619 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.782 -1.394 -0.617 1.00 0.00 H new ATOM 1397 N LEU A 91 170.253 -3.342 4.045 1.00 0.00 N ATOM 1398 CA LEU A 91 171.529 -3.838 4.544 1.00 0.00 C ATOM 1399 C LEU A 91 171.902 -5.105 3.785 1.00 0.00 C ATOM 1400 O LEU A 91 171.076 -6.005 3.635 1.00 0.00 O ATOM 1401 CB LEU A 91 171.455 -4.125 6.045 1.00 0.00 C ATOM 1402 CG LEU A 91 170.611 -3.143 6.858 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.166 -3.783 8.161 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.393 -1.867 7.128 1.00 0.00 C ATOM 0 H LEU A 91 169.483 -4.003 4.145 1.00 0.00 H new ATOM 0 HA LEU A 91 172.292 -3.076 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 91 171.053 -5.128 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.468 -4.128 6.448 1.00 0.00 H new ATOM 0 HG LEU A 91 169.724 -2.885 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.566 -3.072 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.570 -4.670 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.042 -4.067 8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.778 -1.179 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.297 -2.106 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.666 -1.400 6.182 1.00 0.00 H new ATOM 1416 N ILE A 92 173.135 -5.174 3.291 1.00 0.00 N ATOM 1417 CA ILE A 92 173.574 -6.344 2.532 1.00 0.00 C ATOM 1418 C ILE A 92 174.940 -6.841 2.996 1.00 0.00 C ATOM 1419 O ILE A 92 175.860 -6.054 3.219 1.00 0.00 O ATOM 1420 CB ILE A 92 173.635 -6.061 1.008 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.345 -4.588 0.707 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.666 -6.967 0.254 1.00 0.00 C ATOM 1423 CD1 ILE A 92 171.906 -4.199 0.942 1.00 0.00 C ATOM 0 H ILE A 92 173.840 -4.445 3.400 1.00 0.00 H new ATOM 0 HA ILE A 92 172.828 -7.116 2.719 1.00 0.00 H new ATOM 0 HB ILE A 92 174.647 -6.279 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 92 173.988 -3.965 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.605 -4.379 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.724 -6.753 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.931 -8.010 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.650 -6.786 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 92 171.772 -3.143 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 92 171.258 -4.797 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.647 -4.376 1.986 1.00 0.00 H new ATOM 1435 N SER A 93 175.059 -8.159 3.127 1.00 0.00 N ATOM 1436 CA SER A 93 176.309 -8.780 3.552 1.00 0.00 C ATOM 1437 C SER A 93 177.410 -8.531 2.526 1.00 0.00 C ATOM 1438 O SER A 93 177.227 -8.775 1.333 1.00 0.00 O ATOM 1439 CB SER A 93 176.113 -10.283 3.754 1.00 0.00 C ATOM 1440 OG SER A 93 177.070 -10.806 4.660 1.00 0.00 O ATOM 0 H SER A 93 174.303 -8.819 2.944 1.00 0.00 H new ATOM 0 HA SER A 93 176.609 -8.331 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.108 -10.474 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.197 -10.796 2.796 1.00 0.00 H new ATOM 0 HG SER A 93 176.922 -11.768 4.773 1.00 0.00 H new ATOM 1446 N HIS A 94 178.552 -8.041 2.997 1.00 0.00 N ATOM 1447 CA HIS A 94 179.682 -7.754 2.119 1.00 0.00 C ATOM 1448 C HIS A 94 180.354 -9.039 1.641 1.00 0.00 C ATOM 1449 O HIS A 94 180.993 -9.060 0.589 1.00 0.00 O ATOM 1450 CB HIS A 94 180.703 -6.873 2.841 1.00 0.00 C ATOM 1451 CG HIS A 94 180.394 -5.410 2.770 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.951 -4.573 1.831 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.590 -4.633 3.533 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.509 -3.343 2.018 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.680 -3.352 3.045 1.00 0.00 N ATOM 0 H HIS A 94 178.720 -7.834 3.982 1.00 0.00 H new ATOM 0 HA HIS A 94 179.300 -7.224 1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.754 -7.174 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.689 -7.048 2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.990 -4.959 4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.779 -2.478 1.431 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.187 -2.540 3.416 1.00 0.00 H new ATOM 1464 N ARG A 95 180.213 -10.108 2.420 1.00 0.00 N ATOM 1465 CA ARG A 95 180.814 -11.394 2.074 1.00 0.00 C ATOM 1466 C ARG A 95 180.430 -11.822 0.661 1.00 0.00 C ATOM 1467 O ARG A 95 179.411 -11.389 0.123 1.00 0.00 O ATOM 1468 CB ARG A 95 180.390 -12.467 3.081 1.00 0.00 C ATOM 1469 CG ARG A 95 181.555 -13.080 3.841 1.00 0.00 C ATOM 1470 CD ARG A 95 181.101 -13.716 5.145 1.00 0.00 C ATOM 1471 NE ARG A 95 181.873 -13.232 6.287 1.00 0.00 N ATOM 1472 CZ ARG A 95 181.659 -12.062 6.884 1.00 0.00 C ATOM 1473 NH1 ARG A 95 180.697 -11.255 6.453 1.00 0.00 N ATOM 1474 NH2 ARG A 95 182.407 -11.697 7.916 1.00 0.00 N ATOM 0 H ARG A 95 179.688 -10.110 3.295 1.00 0.00 H new ATOM 0 HA ARG A 95 181.897 -11.278 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.692 -12.029 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.854 -13.257 2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 95 182.041 -13.832 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 95 182.298 -12.311 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.044 -13.502 5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 95 181.199 -14.799 5.074 1.00 0.00 H new ATOM 0 HE ARG A 95 182.620 -13.826 6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 95 180.117 -11.531 5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 95 180.538 -10.359 6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 95 183.147 -12.313 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 95 182.243 -10.800 8.373 1.00 0.00 H new ATOM 1488 N GLU A 96 181.257 -12.676 0.067 1.00 0.00 N ATOM 1489 CA GLU A 96 181.014 -13.167 -1.283 1.00 0.00 C ATOM 1490 C GLU A 96 179.940 -14.251 -1.283 1.00 0.00 C ATOM 1491 O GLU A 96 178.887 -14.093 -1.900 1.00 0.00 O ATOM 1492 CB GLU A 96 182.310 -13.713 -1.883 1.00 0.00 C ATOM 1493 CG GLU A 96 182.474 -13.403 -3.362 1.00 0.00 C ATOM 1494 CD GLU A 96 182.186 -14.602 -4.244 1.00 0.00 C ATOM 1495 OE1 GLU A 96 183.108 -15.417 -4.458 1.00 0.00 O ATOM 1496 OE2 GLU A 96 181.038 -14.727 -4.721 1.00 0.00 O ATOM 0 H GLU A 96 182.104 -13.043 0.502 1.00 0.00 H new ATOM 0 HA GLU A 96 180.660 -12.335 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 96 183.157 -13.297 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 96 182.339 -14.793 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.805 -12.587 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 96 183.491 -13.057 -3.546 1.00 0.00 H new ATOM 1503 N GLU A 97 180.210 -15.349 -0.583 1.00 0.00 N ATOM 1504 CA GLU A 97 179.261 -16.452 -0.500 1.00 0.00 C ATOM 1505 C GLU A 97 178.256 -16.203 0.620 1.00 0.00 C ATOM 1506 O GLU A 97 178.569 -15.531 1.602 1.00 0.00 O ATOM 1507 CB GLU A 97 179.996 -17.774 -0.265 1.00 0.00 C ATOM 1508 CG GLU A 97 180.605 -17.898 1.122 1.00 0.00 C ATOM 1509 CD GLU A 97 181.462 -19.140 1.274 1.00 0.00 C ATOM 1510 OE1 GLU A 97 182.413 -19.306 0.481 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.183 -19.946 2.187 1.00 0.00 O ATOM 0 H GLU A 97 181.077 -15.498 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 97 178.723 -16.516 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 97 179.301 -18.599 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.786 -17.877 -1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 97 181.211 -17.016 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 97 179.807 -17.918 1.865 1.00 0.00 H new ATOM 1518 N ASP A 98 177.050 -16.746 0.467 1.00 0.00 N ATOM 1519 CA ASP A 98 175.999 -16.577 1.470 1.00 0.00 C ATOM 1520 C ASP A 98 175.840 -15.105 1.847 1.00 0.00 C ATOM 1521 O ASP A 98 176.653 -14.554 2.588 1.00 0.00 O ATOM 1522 CB ASP A 98 176.317 -17.408 2.716 1.00 0.00 C ATOM 1523 CG ASP A 98 175.238 -18.430 3.019 1.00 0.00 C ATOM 1524 OD1 ASP A 98 175.037 -19.344 2.193 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.595 -18.316 4.084 1.00 0.00 O ATOM 0 H ASP A 98 176.776 -17.306 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 98 175.059 -16.926 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 98 177.269 -17.920 2.575 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.436 -16.744 3.572 1.00 0.00 H new ATOM 1530 N ARG A 99 174.792 -14.471 1.335 1.00 0.00 N ATOM 1531 CA ARG A 99 174.544 -13.064 1.623 1.00 0.00 C ATOM 1532 C ARG A 99 173.124 -12.856 2.144 1.00 0.00 C ATOM 1533 O ARG A 99 172.152 -13.271 1.513 1.00 0.00 O ATOM 1534 CB ARG A 99 174.787 -12.221 0.360 1.00 0.00 C ATOM 1535 CG ARG A 99 174.054 -10.882 0.336 1.00 0.00 C ATOM 1536 CD ARG A 99 172.676 -11.013 -0.294 1.00 0.00 C ATOM 1537 NE ARG A 99 172.643 -10.492 -1.658 1.00 0.00 N ATOM 1538 CZ ARG A 99 171.694 -10.792 -2.543 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.699 -11.605 -2.210 1.00 0.00 N ATOM 1540 NH2 ARG A 99 171.739 -10.277 -3.764 1.00 0.00 N ATOM 0 H ARG A 99 174.103 -14.906 0.721 1.00 0.00 H new ATOM 0 HA ARG A 99 175.235 -12.741 2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 99 175.857 -12.036 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 99 174.484 -12.801 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.956 -10.501 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 99 174.643 -10.154 -0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 99 172.379 -12.062 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 99 171.947 -10.479 0.315 1.00 0.00 H new ATOM 0 HE ARG A 99 173.390 -9.862 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 99 170.658 -12.004 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.975 -11.831 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 99 172.501 -9.651 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 99 171.012 -10.507 -4.442 1.00 0.00 H new ATOM 1554 N GLU A 100 173.015 -12.202 3.295 1.00 0.00 N ATOM 1555 CA GLU A 100 171.718 -11.926 3.900 1.00 0.00 C ATOM 1556 C GLU A 100 171.415 -10.434 3.829 1.00 0.00 C ATOM 1557 O GLU A 100 172.307 -9.603 4.003 1.00 0.00 O ATOM 1558 CB GLU A 100 171.687 -12.395 5.360 1.00 0.00 C ATOM 1559 CG GLU A 100 172.518 -13.642 5.630 1.00 0.00 C ATOM 1560 CD GLU A 100 172.773 -13.863 7.108 1.00 0.00 C ATOM 1561 OE1 GLU A 100 171.905 -14.462 7.777 1.00 0.00 O ATOM 1562 OE2 GLU A 100 173.840 -13.435 7.597 1.00 0.00 O ATOM 0 H GLU A 100 173.811 -11.853 3.828 1.00 0.00 H new ATOM 0 HA GLU A 100 170.957 -12.474 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.046 -11.587 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.654 -12.591 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.005 -14.512 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 100 173.472 -13.559 5.109 1.00 0.00 H new ATOM 1569 N PHE A 101 170.157 -10.097 3.567 1.00 0.00 N ATOM 1570 CA PHE A 101 169.754 -8.700 3.469 1.00 0.00 C ATOM 1571 C PHE A 101 168.450 -8.448 4.219 1.00 0.00 C ATOM 1572 O PHE A 101 167.541 -9.278 4.204 1.00 0.00 O ATOM 1573 CB PHE A 101 169.599 -8.295 2.002 1.00 0.00 C ATOM 1574 CG PHE A 101 168.494 -9.023 1.290 1.00 0.00 C ATOM 1575 CD1 PHE A 101 168.684 -10.315 0.827 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.266 -8.414 1.084 1.00 0.00 C ATOM 1577 CE1 PHE A 101 167.669 -10.987 0.171 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.248 -9.081 0.429 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.450 -10.369 -0.028 1.00 0.00 C ATOM 0 H PHE A 101 169.403 -10.768 3.420 1.00 0.00 H new ATOM 0 HA PHE A 101 170.534 -8.093 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.410 -7.223 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.539 -8.480 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 101 169.635 -10.803 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 101 167.103 -7.407 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 101 167.829 -11.994 -0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 101 165.296 -8.596 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.656 -10.892 -0.540 1.00 0.00 H new ATOM 1589 N HIS A 102 168.365 -7.291 4.868 1.00 0.00 N ATOM 1590 CA HIS A 102 167.172 -6.919 5.618 1.00 0.00 C ATOM 1591 C HIS A 102 166.844 -5.445 5.398 1.00 0.00 C ATOM 1592 O HIS A 102 167.703 -4.576 5.546 1.00 0.00 O ATOM 1593 CB HIS A 102 167.328 -7.220 7.118 1.00 0.00 C ATOM 1594 CG HIS A 102 168.745 -7.278 7.619 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.127 -6.748 8.833 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.868 -7.821 7.082 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.418 -6.960 9.020 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.890 -7.608 7.973 1.00 0.00 N ATOM 0 H HIS A 102 169.110 -6.594 4.889 1.00 0.00 H new ATOM 0 HA HIS A 102 166.345 -7.523 5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.792 -6.457 7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.845 -8.173 7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.943 -8.327 6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.990 -6.654 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.858 -7.903 7.846 1.00 0.00 H new ATOM 1607 N VAL A 103 165.598 -5.180 5.020 1.00 0.00 N ATOM 1608 CA VAL A 103 165.154 -3.816 4.749 1.00 0.00 C ATOM 1609 C VAL A 103 164.086 -3.349 5.733 1.00 0.00 C ATOM 1610 O VAL A 103 163.139 -4.075 6.035 1.00 0.00 O ATOM 1611 CB VAL A 103 164.605 -3.689 3.310 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.518 -4.721 3.062 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.082 -2.283 3.035 1.00 0.00 C ATOM 0 H VAL A 103 164.877 -5.891 4.894 1.00 0.00 H new ATOM 0 HA VAL A 103 166.031 -3.179 4.866 1.00 0.00 H new ATOM 0 HB VAL A 103 165.429 -3.877 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 103 163.143 -4.617 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.929 -5.722 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.701 -4.566 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.703 -2.229 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.278 -2.051 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.891 -1.563 3.161 1.00 0.00 H new ATOM 1623 N ILE A 104 164.235 -2.112 6.202 1.00 0.00 N ATOM 1624 CA ILE A 104 163.274 -1.516 7.123 1.00 0.00 C ATOM 1625 C ILE A 104 162.416 -0.491 6.388 1.00 0.00 C ATOM 1626 O ILE A 104 162.931 0.483 5.840 1.00 0.00 O ATOM 1627 CB ILE A 104 163.957 -0.833 8.333 1.00 0.00 C ATOM 1628 CG1 ILE A 104 165.454 -0.618 8.079 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.743 -1.663 9.589 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.061 0.467 8.927 1.00 0.00 C ATOM 0 H ILE A 104 165.015 -1.502 5.957 1.00 0.00 H new ATOM 0 HA ILE A 104 162.655 -2.327 7.505 1.00 0.00 H new ATOM 0 HB ILE A 104 163.501 0.147 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.983 -1.552 8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 104 165.604 -0.372 7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 104 164.227 -1.175 10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.675 -1.756 9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.173 -2.654 9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 104 167.121 0.562 8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.558 1.412 8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.944 0.214 9.981 1.00 0.00 H new ATOM 1642 N TRP A 105 161.108 -0.725 6.364 1.00 0.00 N ATOM 1643 CA TRP A 105 160.187 0.175 5.676 1.00 0.00 C ATOM 1644 C TRP A 105 159.455 1.086 6.654 1.00 0.00 C ATOM 1645 O TRP A 105 159.196 0.711 7.798 1.00 0.00 O ATOM 1646 CB TRP A 105 159.172 -0.628 4.860 1.00 0.00 C ATOM 1647 CG TRP A 105 159.804 -1.488 3.805 1.00 0.00 C ATOM 1648 CD1 TRP A 105 160.251 -2.768 3.962 1.00 0.00 C ATOM 1649 CD2 TRP A 105 160.064 -1.139 2.435 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.761 -3.241 2.778 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.660 -2.261 1.827 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.850 0.007 1.660 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 161.041 -2.270 0.487 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.228 -0.004 0.333 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.817 -1.136 -0.243 1.00 0.00 C ATOM 0 H TRP A 105 160.662 -1.526 6.811 1.00 0.00 H new ATOM 0 HA TRP A 105 160.778 0.801 5.008 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.593 -1.259 5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.472 0.060 4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 105 160.210 -3.328 4.884 1.00 0.00 H new ATOM 0 HE1 TRP A 105 161.152 -4.172 2.631 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.396 0.886 2.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.497 -3.142 0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.067 0.876 -0.272 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.100 -1.113 -1.285 1.00 0.00 H new ATOM 1666 N LYS A 106 159.119 2.284 6.188 1.00 0.00 N ATOM 1667 CA LYS A 106 158.411 3.259 7.006 1.00 0.00 C ATOM 1668 C LYS A 106 157.021 2.750 7.377 1.00 0.00 C ATOM 1669 O LYS A 106 156.413 1.980 6.634 1.00 0.00 O ATOM 1670 CB LYS A 106 158.293 4.584 6.253 1.00 0.00 C ATOM 1671 CG LYS A 106 158.078 5.783 7.161 1.00 0.00 C ATOM 1672 CD LYS A 106 157.361 6.910 6.436 1.00 0.00 C ATOM 1673 CE LYS A 106 158.282 8.096 6.197 1.00 0.00 C ATOM 1674 NZ LYS A 106 158.135 9.135 7.254 1.00 0.00 N ATOM 0 H LYS A 106 159.328 2.603 5.242 1.00 0.00 H new ATOM 0 HA LYS A 106 158.979 3.413 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 106 159.198 4.741 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.464 4.519 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 106 157.496 5.481 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.040 6.140 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 106 156.981 6.546 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 106 156.499 7.230 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 106 159.316 7.752 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 106 158.064 8.535 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 158.780 9.926 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 157.155 9.482 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 158.368 8.723 8.180 1.00 0.00 H new ATOM 1688 N LYS A 107 156.524 3.186 8.529 1.00 0.00 N ATOM 1689 CA LYS A 107 155.204 2.775 8.995 1.00 0.00 C ATOM 1690 C LYS A 107 154.563 3.867 9.846 1.00 0.00 C ATOM 1691 O LYS A 107 153.383 4.192 9.599 1.00 0.00 O ATOM 1692 CB LYS A 107 155.304 1.478 9.800 1.00 0.00 C ATOM 1693 CG LYS A 107 156.108 1.616 11.082 1.00 0.00 C ATOM 1694 CD LYS A 107 156.124 0.317 11.871 1.00 0.00 C ATOM 1695 CE LYS A 107 154.932 0.222 12.809 1.00 0.00 C ATOM 1696 NZ LYS A 107 153.649 0.089 12.066 1.00 0.00 N ATOM 1697 OXT LYS A 107 155.247 4.388 10.752 1.00 0.00 O ATOM 0 H LYS A 107 157.014 3.823 9.157 1.00 0.00 H new ATOM 0 HA LYS A 107 154.575 2.604 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.299 1.135 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.759 0.708 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 107 157.130 1.910 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.683 2.411 11.696 1.00 0.00 H new ATOM 0 HD2 LYS A 107 156.115 -0.528 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 107 157.047 0.250 12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 107 155.058 -0.635 13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 107 154.895 1.110 13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 152.940 -0.367 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 153.310 1.032 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 153.799 -0.491 11.216 1.00 0.00 H new