USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 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 98 THR OG1 : rot 140:sc= 0.84 USER MOD Set 1.2: A 125 THR OG1 : rot -168:sc= 0.953 USER MOD Single : A 52 THR OG1 : rot 23:sc= 0.152 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 158:sc= -0.131 (180deg=-0.625) USER MOD Single : A 86 THR OG1 : rot -20:sc= 0.162 USER MOD Single : A 91 TYR OH : rot 179:sc= 0.781 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= -0.045 (180deg=-0.252) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 139:sc= -0.0597 (180deg=-2.85!) USER MOD Single : A 122 THR OG1 : rot 157:sc= 0.216 USER MOD Single : A 124 MET CE :methyl 139:sc= -0.166 (180deg=-1.02) USER MOD Single : A 126 LYS NZ :NH3+ -179:sc= 0.557 (180deg=0.556) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -9.836 7.805 10.344 1.00 0.00 N ATOM 147 CA THR A 52 -8.823 7.389 9.365 1.00 0.00 C ATOM 148 C THR A 52 -9.172 6.006 8.788 1.00 0.00 C ATOM 149 O THR A 52 -9.694 5.144 9.507 1.00 0.00 O ATOM 150 CB THR A 52 -7.408 7.366 10.032 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.154 8.629 10.668 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.275 7.073 9.033 1.00 0.00 C ATOM 0 HA THR A 52 -8.809 8.108 8.546 1.00 0.00 H new ATOM 0 HB THR A 52 -7.418 6.556 10.761 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.005 9.071 10.868 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.319 7.071 9.557 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.439 6.099 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.263 7.842 8.260 1.00 0.00 H new ATOM 160 N VAL A 53 -8.873 5.801 7.498 1.00 0.00 N ATOM 161 CA VAL A 53 -9.214 4.563 6.801 1.00 0.00 C ATOM 162 C VAL A 53 -7.962 3.678 6.798 1.00 0.00 C ATOM 163 O VAL A 53 -6.946 4.058 6.225 1.00 0.00 O ATOM 164 CB VAL A 53 -9.709 4.827 5.329 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.227 3.523 4.665 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.786 5.945 5.287 1.00 0.00 C ATOM 0 H VAL A 53 -8.391 6.486 6.916 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.039 4.072 7.316 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.851 5.173 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.561 3.739 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.424 2.787 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.060 3.126 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.107 6.103 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.643 5.648 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.366 6.870 5.682 1.00 0.00 H new ATOM 176 N ARG A 54 -8.018 2.555 7.521 1.00 0.00 N ATOM 177 CA ARG A 54 -6.945 1.550 7.546 1.00 0.00 C ATOM 178 C ARG A 54 -7.378 0.335 6.705 1.00 0.00 C ATOM 179 O ARG A 54 -8.368 -0.338 7.022 1.00 0.00 O ATOM 180 CB ARG A 54 -6.595 1.158 9.016 1.00 0.00 C ATOM 181 CG ARG A 54 -5.691 -0.085 9.172 1.00 0.00 C ATOM 182 CD ARG A 54 -5.253 -0.354 10.636 1.00 0.00 C ATOM 183 NE ARG A 54 -4.005 0.343 10.969 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.245 0.123 12.054 1.00 0.00 C ATOM 185 NH1 ARG A 54 -3.633 -0.712 13.010 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.078 0.741 12.167 1.00 0.00 N ATOM 0 H ARG A 54 -8.815 2.314 8.111 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.036 1.962 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.104 2.006 9.493 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.524 0.981 9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.221 -0.959 8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.803 0.042 8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.042 -0.032 11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.121 -1.426 10.785 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.686 1.060 10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.524 -1.201 12.929 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.040 -0.864 13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.765 1.377 11.434 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.493 0.581 12.987 1.00 0.00 H new ATOM 200 N LEU A 55 -6.625 0.079 5.628 1.00 0.00 N ATOM 201 CA LEU A 55 -6.883 -1.006 4.669 1.00 0.00 C ATOM 202 C LEU A 55 -5.815 -2.102 4.909 1.00 0.00 C ATOM 203 O LEU A 55 -4.661 -1.787 5.225 1.00 0.00 O ATOM 204 CB LEU A 55 -6.823 -0.434 3.200 1.00 0.00 C ATOM 205 CG LEU A 55 -7.863 -0.984 2.159 1.00 0.00 C ATOM 206 CD1 LEU A 55 -7.705 -0.271 0.794 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.788 -2.519 1.989 1.00 0.00 C ATOM 0 H LEU A 55 -5.801 0.632 5.393 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.875 -1.437 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.945 0.648 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.824 -0.622 2.807 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.852 -0.762 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.435 -0.668 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.868 0.799 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.700 -0.441 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.530 -2.841 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.793 -2.799 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.989 -3.001 2.946 1.00 0.00 H new ATOM 219 N PHE A 56 -6.213 -3.380 4.788 1.00 0.00 N ATOM 220 CA PHE A 56 -5.307 -4.539 4.935 1.00 0.00 C ATOM 221 C PHE A 56 -5.300 -5.318 3.612 1.00 0.00 C ATOM 222 O PHE A 56 -6.315 -5.358 2.914 1.00 0.00 O ATOM 223 CB PHE A 56 -5.787 -5.483 6.073 1.00 0.00 C ATOM 224 CG PHE A 56 -6.028 -4.807 7.419 1.00 0.00 C ATOM 225 CD1 PHE A 56 -4.987 -4.609 8.316 1.00 0.00 C ATOM 226 CD2 PHE A 56 -7.305 -4.387 7.793 1.00 0.00 C ATOM 227 CE1 PHE A 56 -5.211 -4.013 9.544 1.00 0.00 C ATOM 228 CE2 PHE A 56 -7.528 -3.787 9.016 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.481 -3.605 9.892 1.00 0.00 C ATOM 0 H PHE A 56 -7.177 -3.643 4.584 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.309 -4.179 5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.711 -5.967 5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.045 -6.270 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.989 -4.925 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.132 -4.534 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.390 -3.867 10.231 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.522 -3.461 9.285 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.655 -3.142 10.852 1.00 0.00 H new ATOM 239 N GLY A 57 -4.166 -5.937 3.275 1.00 0.00 N ATOM 240 CA GLY A 57 -4.086 -6.812 2.104 1.00 0.00 C ATOM 241 C GLY A 57 -2.670 -7.259 1.820 1.00 0.00 C ATOM 242 O GLY A 57 -1.771 -7.007 2.617 1.00 0.00 O ATOM 0 H GLY A 57 -3.293 -5.849 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.716 -7.687 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.481 -6.288 1.234 1.00 0.00 H new ATOM 246 N THR A 58 -2.482 -7.891 0.659 1.00 0.00 N ATOM 247 CA THR A 58 -1.192 -8.434 0.212 1.00 0.00 C ATOM 248 C THR A 58 -0.747 -7.691 -1.060 1.00 0.00 C ATOM 249 O THR A 58 -1.574 -7.375 -1.917 1.00 0.00 O ATOM 250 CB THR A 58 -1.319 -9.971 -0.066 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.926 -10.610 1.066 1.00 0.00 O ATOM 252 CG2 THR A 58 0.048 -10.627 -0.338 1.00 0.00 C ATOM 0 H THR A 58 -3.235 -8.044 -0.011 1.00 0.00 H new ATOM 0 HA THR A 58 -0.445 -8.291 0.993 1.00 0.00 H new ATOM 0 HB THR A 58 -1.934 -10.095 -0.957 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.008 -11.571 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.090 -11.692 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.508 -10.162 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.695 -10.492 0.529 1.00 0.00 H new ATOM 260 N VAL A 59 0.559 -7.407 -1.160 1.00 0.00 N ATOM 261 CA VAL A 59 1.145 -6.673 -2.297 1.00 0.00 C ATOM 262 C VAL A 59 1.275 -7.602 -3.522 1.00 0.00 C ATOM 263 O VAL A 59 1.856 -8.690 -3.414 1.00 0.00 O ATOM 264 CB VAL A 59 2.562 -6.097 -1.927 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.151 -5.237 -3.074 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.510 -5.305 -0.600 1.00 0.00 C ATOM 0 H VAL A 59 1.243 -7.679 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 59 0.481 -5.843 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 59 3.232 -6.945 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.130 -4.858 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.254 -5.848 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.485 -4.399 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.502 -4.918 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.811 -4.475 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.180 -5.963 0.204 1.00 0.00 H new ATOM 276 N ALA A 60 0.729 -7.164 -4.670 1.00 0.00 N ATOM 277 CA ALA A 60 0.829 -7.896 -5.949 1.00 0.00 C ATOM 278 C ALA A 60 2.166 -7.604 -6.649 1.00 0.00 C ATOM 279 O ALA A 60 2.748 -6.523 -6.472 1.00 0.00 O ATOM 280 CB ALA A 60 -0.351 -7.526 -6.875 1.00 0.00 C ATOM 0 H ALA A 60 0.205 -6.292 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 60 0.785 -8.963 -5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.263 -8.074 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.291 -7.788 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.333 -6.455 -7.077 1.00 0.00 H new ATOM 286 N ALA A 61 2.651 -8.588 -7.427 1.00 0.00 N ATOM 287 CA ALA A 61 3.794 -8.398 -8.345 1.00 0.00 C ATOM 288 C ALA A 61 3.316 -7.705 -9.629 1.00 0.00 C ATOM 289 O ALA A 61 4.046 -6.915 -10.246 1.00 0.00 O ATOM 290 CB ALA A 61 4.470 -9.744 -8.668 1.00 0.00 C ATOM 0 H ALA A 61 2.266 -9.533 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 61 4.535 -7.765 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.308 -9.577 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.833 -10.199 -7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.748 -10.409 -9.141 1.00 0.00 H new ATOM 296 N ASP A 62 2.058 -7.993 -9.994 1.00 0.00 N ATOM 297 CA ASP A 62 1.423 -7.466 -11.199 1.00 0.00 C ATOM 298 C ASP A 62 0.786 -6.109 -10.859 1.00 0.00 C ATOM 299 O ASP A 62 -0.286 -6.049 -10.247 1.00 0.00 O ATOM 300 CB ASP A 62 0.371 -8.474 -11.730 1.00 0.00 C ATOM 301 CG ASP A 62 0.965 -9.872 -12.004 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.658 -10.047 -13.028 1.00 0.00 O ATOM 303 OD2 ASP A 62 0.751 -10.798 -11.185 1.00 0.00 O ATOM 0 H ASP A 62 1.450 -8.606 -9.451 1.00 0.00 H new ATOM 0 HA ASP A 62 2.161 -7.322 -11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.437 -8.564 -11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.067 -8.084 -12.649 1.00 0.00 H new ATOM 308 N GLY A 63 1.486 -5.024 -11.222 1.00 0.00 N ATOM 309 CA GLY A 63 1.029 -3.665 -10.934 1.00 0.00 C ATOM 310 C GLY A 63 1.725 -3.094 -9.712 1.00 0.00 C ATOM 311 O GLY A 63 1.117 -2.945 -8.645 1.00 0.00 O ATOM 0 H GLY A 63 2.376 -5.067 -11.719 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.220 -3.025 -11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.049 -3.669 -10.772 1.00 0.00 H new ATOM 315 N LEU A 64 3.019 -2.790 -9.875 1.00 0.00 N ATOM 316 CA LEU A 64 3.858 -2.211 -8.820 1.00 0.00 C ATOM 317 C LEU A 64 4.846 -1.238 -9.492 1.00 0.00 C ATOM 318 O LEU A 64 5.795 -1.657 -10.161 1.00 0.00 O ATOM 319 CB LEU A 64 4.578 -3.351 -8.024 1.00 0.00 C ATOM 320 CG LEU A 64 5.140 -2.998 -6.594 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.427 -4.283 -5.786 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.409 -2.101 -6.657 1.00 0.00 C ATOM 0 H LEU A 64 3.517 -2.941 -10.752 1.00 0.00 H new ATOM 0 HA LEU A 64 3.263 -1.659 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.878 -4.179 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.408 -3.713 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 64 4.366 -2.424 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.814 -4.016 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.505 -4.854 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.164 -4.888 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.755 -1.888 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.194 -2.620 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.169 -1.166 -7.163 1.00 0.00 H new ATOM 334 N THR A 65 4.565 0.061 -9.337 1.00 0.00 N ATOM 335 CA THR A 65 5.347 1.165 -9.912 1.00 0.00 C ATOM 336 C THR A 65 5.768 2.128 -8.787 1.00 0.00 C ATOM 337 O THR A 65 4.909 2.708 -8.126 1.00 0.00 O ATOM 338 CB THR A 65 4.486 1.926 -10.983 1.00 0.00 C ATOM 339 OG1 THR A 65 3.933 0.970 -11.909 1.00 0.00 O ATOM 340 CG2 THR A 65 5.289 2.982 -11.765 1.00 0.00 C ATOM 0 H THR A 65 3.765 0.384 -8.793 1.00 0.00 H new ATOM 0 HA THR A 65 6.238 0.768 -10.398 1.00 0.00 H new ATOM 0 HB THR A 65 3.699 2.456 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.393 1.438 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.638 3.472 -12.489 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.685 3.725 -11.072 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.114 2.498 -12.288 1.00 0.00 H new ATOM 348 N MET A 66 7.084 2.305 -8.578 1.00 0.00 N ATOM 349 CA MET A 66 7.606 3.163 -7.491 1.00 0.00 C ATOM 350 C MET A 66 7.769 4.594 -8.017 1.00 0.00 C ATOM 351 O MET A 66 8.151 4.785 -9.182 1.00 0.00 O ATOM 352 CB MET A 66 8.957 2.626 -6.935 1.00 0.00 C ATOM 353 CG MET A 66 8.909 1.190 -6.374 1.00 0.00 C ATOM 354 SD MET A 66 10.392 0.744 -5.436 1.00 0.00 S ATOM 355 CE MET A 66 10.286 1.857 -4.033 1.00 0.00 C ATOM 0 H MET A 66 7.809 1.867 -9.146 1.00 0.00 H new ATOM 0 HA MET A 66 6.894 3.153 -6.666 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.700 2.664 -7.731 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.300 3.296 -6.147 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.035 1.087 -5.731 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.783 0.488 -7.198 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.871 1.456 -3.205 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.677 2.835 -4.314 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.245 1.957 -3.726 1.00 0.00 H new ATOM 365 N LEU A 67 7.477 5.591 -7.157 1.00 0.00 N ATOM 366 CA LEU A 67 7.442 7.013 -7.558 1.00 0.00 C ATOM 367 C LEU A 67 8.856 7.503 -7.933 1.00 0.00 C ATOM 368 O LEU A 67 9.780 7.412 -7.123 1.00 0.00 O ATOM 369 CB LEU A 67 6.827 7.888 -6.427 1.00 0.00 C ATOM 370 CG LEU A 67 5.416 7.447 -5.899 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.851 8.475 -4.887 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.421 7.171 -7.056 1.00 0.00 C ATOM 0 H LEU A 67 7.260 5.436 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 67 6.806 7.109 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.520 7.897 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.752 8.913 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 67 5.548 6.503 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.873 8.143 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.529 8.560 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.753 9.446 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.458 6.869 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.293 8.076 -7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.811 6.374 -7.689 1.00 0.00 H new ATOM 384 N ASP A 68 9.008 8.004 -9.173 1.00 0.00 N ATOM 385 CA ASP A 68 10.314 8.426 -9.726 1.00 0.00 C ATOM 386 C ASP A 68 10.660 9.835 -9.229 1.00 0.00 C ATOM 387 O ASP A 68 9.872 10.770 -9.425 1.00 0.00 O ATOM 388 CB ASP A 68 10.283 8.413 -11.274 1.00 0.00 C ATOM 389 CG ASP A 68 10.033 7.019 -11.870 1.00 0.00 C ATOM 390 OD1 ASP A 68 8.862 6.580 -11.911 1.00 0.00 O ATOM 391 OD2 ASP A 68 11.007 6.354 -12.296 1.00 0.00 O ATOM 0 H ASP A 68 8.231 8.129 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 68 11.075 7.723 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.504 9.092 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.231 8.796 -11.652 1.00 0.00 H new ATOM 396 N GLY A 69 11.828 9.970 -8.574 1.00 0.00 N ATOM 397 CA GLY A 69 12.278 11.247 -8.010 1.00 0.00 C ATOM 398 C GLY A 69 11.401 11.731 -6.848 1.00 0.00 C ATOM 399 O GLY A 69 11.374 12.930 -6.547 1.00 0.00 O ATOM 0 H GLY A 69 12.479 9.200 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.306 11.143 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.282 12.003 -8.795 1.00 0.00 H new ATOM 403 N ALA A 70 10.703 10.790 -6.194 1.00 0.00 N ATOM 404 CA ALA A 70 9.767 11.074 -5.090 1.00 0.00 C ATOM 405 C ALA A 70 9.712 9.854 -4.138 1.00 0.00 C ATOM 406 O ALA A 70 9.823 8.717 -4.610 1.00 0.00 O ATOM 407 CB ALA A 70 8.359 11.404 -5.639 1.00 0.00 C ATOM 0 H ALA A 70 10.772 9.797 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 70 10.120 11.944 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.684 11.610 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.417 12.279 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.983 10.555 -6.210 1.00 0.00 H new ATOM 413 N PRO A 71 9.573 10.065 -2.787 1.00 0.00 N ATOM 414 CA PRO A 71 9.428 8.956 -1.829 1.00 0.00 C ATOM 415 C PRO A 71 8.009 8.345 -1.905 1.00 0.00 C ATOM 416 O PRO A 71 7.007 9.040 -1.683 1.00 0.00 O ATOM 417 CB PRO A 71 9.711 9.629 -0.459 1.00 0.00 C ATOM 418 CG PRO A 71 9.299 11.060 -0.643 1.00 0.00 C ATOM 419 CD PRO A 71 9.564 11.389 -2.099 1.00 0.00 C ATOM 0 HA PRO A 71 10.100 8.120 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.143 9.153 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.765 9.552 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.246 11.197 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.868 11.717 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.791 12.042 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.515 11.906 -2.222 1.00 0.00 H new ATOM 427 N GLY A 72 7.937 7.060 -2.286 1.00 0.00 N ATOM 428 CA GLY A 72 6.684 6.321 -2.279 1.00 0.00 C ATOM 429 C GLY A 72 6.634 5.211 -3.320 1.00 0.00 C ATOM 430 O GLY A 72 7.619 4.954 -4.029 1.00 0.00 O ATOM 0 H GLY A 72 8.741 6.517 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.530 5.889 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.861 7.013 -2.456 1.00 0.00 H new ATOM 434 N VAL A 73 5.458 4.580 -3.411 1.00 0.00 N ATOM 435 CA VAL A 73 5.182 3.478 -4.334 1.00 0.00 C ATOM 436 C VAL A 73 3.670 3.370 -4.585 1.00 0.00 C ATOM 437 O VAL A 73 2.860 3.432 -3.657 1.00 0.00 O ATOM 438 CB VAL A 73 5.742 2.095 -3.806 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.193 1.744 -2.396 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.473 0.956 -4.825 1.00 0.00 C ATOM 0 H VAL A 73 4.656 4.828 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 73 5.697 3.701 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 73 6.822 2.201 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.604 0.787 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.484 2.521 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.106 1.678 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.869 0.018 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.399 0.858 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.962 1.191 -5.771 1.00 0.00 H new ATOM 450 N ARG A 74 3.303 3.263 -5.858 1.00 0.00 N ATOM 451 CA ARG A 74 1.968 2.858 -6.284 1.00 0.00 C ATOM 452 C ARG A 74 1.974 1.337 -6.502 1.00 0.00 C ATOM 453 O ARG A 74 2.870 0.812 -7.158 1.00 0.00 O ATOM 454 CB ARG A 74 1.566 3.602 -7.577 1.00 0.00 C ATOM 455 CG ARG A 74 0.235 3.129 -8.198 1.00 0.00 C ATOM 456 CD ARG A 74 -0.224 4.027 -9.351 1.00 0.00 C ATOM 457 NE ARG A 74 -0.532 5.399 -8.887 1.00 0.00 N ATOM 458 CZ ARG A 74 -0.268 6.517 -9.556 1.00 0.00 C ATOM 459 NH1 ARG A 74 0.338 6.490 -10.737 1.00 0.00 N ATOM 460 NH2 ARG A 74 -0.619 7.681 -9.046 1.00 0.00 N ATOM 0 H ARG A 74 3.935 3.458 -6.635 1.00 0.00 H new ATOM 0 HA ARG A 74 1.235 3.115 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.493 4.668 -7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.360 3.480 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.349 2.107 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.536 3.110 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.554 4.067 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.108 3.594 -9.820 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.985 5.494 -7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.611 5.598 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.530 7.361 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.091 7.721 -8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.419 8.542 -9.555 1.00 0.00 H new ATOM 474 N PHE A 75 0.983 0.637 -5.938 1.00 0.00 N ATOM 475 CA PHE A 75 0.904 -0.829 -6.013 1.00 0.00 C ATOM 476 C PHE A 75 -0.553 -1.298 -6.006 1.00 0.00 C ATOM 477 O PHE A 75 -1.458 -0.573 -5.576 1.00 0.00 O ATOM 478 CB PHE A 75 1.725 -1.500 -4.867 1.00 0.00 C ATOM 479 CG PHE A 75 1.292 -1.139 -3.436 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.657 0.083 -2.865 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.533 -2.023 -2.658 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.288 0.406 -1.570 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.168 -1.696 -1.361 1.00 0.00 C ATOM 484 CZ PHE A 75 0.541 -0.480 -0.819 1.00 0.00 C ATOM 0 H PHE A 75 0.217 1.066 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 75 1.349 -1.141 -6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.660 -2.582 -4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.773 -1.228 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.237 0.787 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.228 -2.972 -3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.585 1.354 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.409 -2.393 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.249 -0.224 0.189 1.00 0.00 H new ATOM 494 N ARG A 76 -0.750 -2.529 -6.489 1.00 0.00 N ATOM 495 CA ARG A 76 -2.056 -3.180 -6.576 1.00 0.00 C ATOM 496 C ARG A 76 -2.239 -4.061 -5.332 1.00 0.00 C ATOM 497 O ARG A 76 -1.513 -5.048 -5.145 1.00 0.00 O ATOM 498 CB ARG A 76 -2.126 -4.008 -7.885 1.00 0.00 C ATOM 499 CG ARG A 76 -3.472 -4.718 -8.148 1.00 0.00 C ATOM 500 CD ARG A 76 -3.495 -5.450 -9.503 1.00 0.00 C ATOM 501 NE ARG A 76 -4.720 -6.264 -9.674 1.00 0.00 N ATOM 502 CZ ARG A 76 -5.587 -6.183 -10.697 1.00 0.00 C ATOM 503 NH1 ARG A 76 -5.471 -5.242 -11.633 1.00 0.00 N ATOM 504 NH2 ARG A 76 -6.589 -7.043 -10.766 1.00 0.00 N ATOM 0 H ARG A 76 0.012 -3.111 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.862 -2.447 -6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.913 -3.347 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.337 -4.759 -7.862 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.665 -5.433 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.278 -3.985 -8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.429 -4.720 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.619 -6.093 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.925 -6.950 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.712 -4.563 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.142 -5.201 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.698 -7.758 -10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.253 -6.991 -11.538 1.00 0.00 H new ATOM 518 N LEU A 77 -3.177 -3.668 -4.468 1.00 0.00 N ATOM 519 CA LEU A 77 -3.428 -4.338 -3.185 1.00 0.00 C ATOM 520 C LEU A 77 -4.538 -5.392 -3.353 1.00 0.00 C ATOM 521 O LEU A 77 -5.672 -5.062 -3.719 1.00 0.00 O ATOM 522 CB LEU A 77 -3.817 -3.306 -2.090 1.00 0.00 C ATOM 523 CG LEU A 77 -3.835 -3.863 -0.632 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.425 -4.323 -0.203 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.419 -2.836 0.359 1.00 0.00 C ATOM 0 H LEU A 77 -3.790 -2.870 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.512 -4.836 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.118 -2.471 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.805 -2.908 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.491 -4.734 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.462 -4.707 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.079 -5.109 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.737 -3.478 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.416 -3.258 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.813 -1.930 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.442 -2.593 0.071 1.00 0.00 H new ATOM 537 N GLU A 78 -4.178 -6.660 -3.117 1.00 0.00 N ATOM 538 CA GLU A 78 -5.097 -7.807 -3.181 1.00 0.00 C ATOM 539 C GLU A 78 -5.475 -8.254 -1.753 1.00 0.00 C ATOM 540 O GLU A 78 -4.633 -8.816 -1.039 1.00 0.00 O ATOM 541 CB GLU A 78 -4.401 -8.990 -3.903 1.00 0.00 C ATOM 542 CG GLU A 78 -3.814 -8.682 -5.282 1.00 0.00 C ATOM 543 CD GLU A 78 -3.132 -9.922 -5.889 1.00 0.00 C ATOM 544 OE1 GLU A 78 -1.979 -10.232 -5.503 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.762 -10.622 -6.716 1.00 0.00 O ATOM 0 H GLU A 78 -3.224 -6.924 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.994 -7.512 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.600 -9.359 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.123 -9.800 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.605 -8.337 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.091 -7.871 -5.199 1.00 0.00 H new ATOM 552 N ASP A 79 -6.720 -7.986 -1.341 1.00 0.00 N ATOM 553 CA ASP A 79 -7.282 -8.522 -0.091 1.00 0.00 C ATOM 554 C ASP A 79 -7.346 -10.065 -0.210 1.00 0.00 C ATOM 555 O ASP A 79 -8.158 -10.571 -0.950 1.00 0.00 O ATOM 556 CB ASP A 79 -8.698 -7.929 0.152 1.00 0.00 C ATOM 557 CG ASP A 79 -8.708 -6.395 0.308 1.00 0.00 C ATOM 558 OD1 ASP A 79 -8.635 -5.678 -0.720 1.00 0.00 O ATOM 559 OD2 ASP A 79 -8.837 -5.898 1.452 1.00 0.00 O ATOM 0 H ASP A 79 -7.366 -7.393 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.654 -8.246 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.346 -8.205 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.122 -8.380 1.049 1.00 0.00 H new ATOM 659 N THR A 86 -9.522 -5.760 -6.067 1.00 0.00 N ATOM 660 CA THR A 86 -8.133 -5.283 -6.095 1.00 0.00 C ATOM 661 C THR A 86 -8.129 -3.745 -6.183 1.00 0.00 C ATOM 662 O THR A 86 -8.541 -3.171 -7.199 1.00 0.00 O ATOM 663 CB THR A 86 -7.341 -5.914 -7.293 1.00 0.00 C ATOM 664 OG1 THR A 86 -8.100 -5.784 -8.507 1.00 0.00 O ATOM 665 CG2 THR A 86 -7.020 -7.400 -7.062 1.00 0.00 C ATOM 0 HA THR A 86 -7.632 -5.593 -5.178 1.00 0.00 H new ATOM 0 HB THR A 86 -6.398 -5.372 -7.372 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.044 -5.639 -8.289 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.471 -7.791 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.413 -7.506 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.948 -7.958 -6.940 1.00 0.00 H new ATOM 673 N VAL A 87 -7.691 -3.093 -5.101 1.00 0.00 N ATOM 674 CA VAL A 87 -7.678 -1.621 -4.989 1.00 0.00 C ATOM 675 C VAL A 87 -6.252 -1.122 -5.225 1.00 0.00 C ATOM 676 O VAL A 87 -5.298 -1.708 -4.715 1.00 0.00 O ATOM 677 CB VAL A 87 -8.176 -1.147 -3.565 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.253 0.410 -3.458 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.534 -1.803 -3.215 1.00 0.00 C ATOM 0 H VAL A 87 -7.333 -3.568 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.356 -1.208 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.438 -1.476 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.600 0.690 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.265 0.836 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.949 0.792 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.859 -1.464 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.277 -1.520 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.423 -2.887 -3.206 1.00 0.00 H new ATOM 689 N TRP A 88 -6.106 -0.038 -5.997 1.00 0.00 N ATOM 690 CA TRP A 88 -4.803 0.603 -6.227 1.00 0.00 C ATOM 691 C TRP A 88 -4.499 1.530 -5.057 1.00 0.00 C ATOM 692 O TRP A 88 -5.410 2.111 -4.475 1.00 0.00 O ATOM 693 CB TRP A 88 -4.807 1.366 -7.575 1.00 0.00 C ATOM 694 CG TRP A 88 -4.839 0.435 -8.764 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.940 -0.019 -9.441 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.706 -0.179 -9.389 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.554 -0.854 -10.456 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.187 -0.967 -10.444 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.323 -0.114 -9.167 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.345 -1.706 -11.263 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.489 -0.853 -9.980 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.999 -1.629 -11.027 1.00 0.00 C ATOM 0 H TRP A 88 -6.882 0.418 -6.478 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.020 -0.153 -6.289 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.672 2.028 -7.612 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.920 1.997 -7.635 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.962 0.243 -9.209 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.181 -1.317 -11.114 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.919 0.501 -8.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.738 -2.321 -12.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.423 -0.832 -9.805 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.318 -2.177 -11.661 1.00 0.00 H new ATOM 713 N VAL A 89 -3.223 1.629 -4.684 1.00 0.00 N ATOM 714 CA VAL A 89 -2.784 2.408 -3.526 1.00 0.00 C ATOM 715 C VAL A 89 -1.596 3.282 -3.927 1.00 0.00 C ATOM 716 O VAL A 89 -0.579 2.782 -4.401 1.00 0.00 O ATOM 717 CB VAL A 89 -2.383 1.498 -2.296 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.911 2.365 -1.093 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.543 0.549 -1.889 1.00 0.00 C ATOM 0 H VAL A 89 -2.460 1.168 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.625 3.025 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.546 0.872 -2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.641 1.716 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.044 2.956 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.717 3.032 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.233 -0.062 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.416 1.140 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.795 -0.098 -2.729 1.00 0.00 H new ATOM 729 N LEU A 90 -1.764 4.594 -3.747 1.00 0.00 N ATOM 730 CA LEU A 90 -0.691 5.568 -3.889 1.00 0.00 C ATOM 731 C LEU A 90 -0.128 5.830 -2.493 1.00 0.00 C ATOM 732 O LEU A 90 -0.686 6.623 -1.723 1.00 0.00 O ATOM 733 CB LEU A 90 -1.195 6.890 -4.537 1.00 0.00 C ATOM 734 CG LEU A 90 -0.105 7.981 -4.788 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.937 7.507 -5.826 1.00 0.00 C ATOM 736 CD2 LEU A 90 -0.741 9.336 -5.192 1.00 0.00 C ATOM 0 H LEU A 90 -2.661 5.010 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 90 0.080 5.176 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.667 6.649 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.968 7.315 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 90 0.423 8.141 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.681 8.289 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.428 6.604 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.438 7.293 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.046 10.072 -5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.319 9.208 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.398 9.682 -4.394 1.00 0.00 H new ATOM 748 N TYR A 91 0.928 5.093 -2.149 1.00 0.00 N ATOM 749 CA TYR A 91 1.693 5.327 -0.924 1.00 0.00 C ATOM 750 C TYR A 91 2.713 6.444 -1.199 1.00 0.00 C ATOM 751 O TYR A 91 3.531 6.314 -2.104 1.00 0.00 O ATOM 752 CB TYR A 91 2.413 4.027 -0.453 1.00 0.00 C ATOM 753 CG TYR A 91 3.386 4.247 0.715 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.927 4.721 1.945 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.757 4.016 0.586 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.796 4.948 2.992 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.627 4.234 1.638 1.00 0.00 C ATOM 758 CZ TYR A 91 5.144 4.706 2.835 1.00 0.00 C ATOM 759 OH TYR A 91 6.016 4.937 3.879 1.00 0.00 O ATOM 0 H TYR A 91 1.277 4.317 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 91 1.017 5.627 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.663 3.294 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.960 3.600 -1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.873 4.913 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.146 3.659 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.420 5.316 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.682 4.034 1.520 1.00 0.00 H new ATOM 0 HH TYR A 91 6.926 4.698 3.604 1.00 0.00 H new ATOM 769 N LYS A 92 2.599 7.561 -0.470 1.00 0.00 N ATOM 770 CA LYS A 92 3.596 8.636 -0.481 1.00 0.00 C ATOM 771 C LYS A 92 4.340 8.636 0.868 1.00 0.00 C ATOM 772 O LYS A 92 3.751 8.932 1.918 1.00 0.00 O ATOM 773 CB LYS A 92 2.901 9.998 -0.750 1.00 0.00 C ATOM 774 CG LYS A 92 2.211 10.096 -2.133 1.00 0.00 C ATOM 775 CD LYS A 92 1.535 11.466 -2.371 1.00 0.00 C ATOM 776 CE LYS A 92 0.392 11.752 -1.380 1.00 0.00 C ATOM 777 NZ LYS A 92 -0.196 13.094 -1.578 1.00 0.00 N ATOM 0 H LYS A 92 1.808 7.744 0.147 1.00 0.00 H new ATOM 0 HA LYS A 92 4.321 8.474 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.158 10.174 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.642 10.794 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.949 9.920 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.463 9.308 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.284 12.254 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.144 11.501 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.385 10.996 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.768 11.669 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.961 13.243 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.538 13.818 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.579 13.166 -2.542 1.00 0.00 H new ATOM 791 N GLY A 93 5.625 8.258 0.821 1.00 0.00 N ATOM 792 CA GLY A 93 6.488 8.182 2.000 1.00 0.00 C ATOM 793 C GLY A 93 7.686 7.271 1.766 1.00 0.00 C ATOM 794 O GLY A 93 7.764 6.608 0.729 1.00 0.00 O ATOM 0 H GLY A 93 6.095 7.995 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.837 9.181 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.912 7.814 2.849 1.00 0.00 H new ATOM 798 N ALA A 94 8.608 7.221 2.739 1.00 0.00 N ATOM 799 CA ALA A 94 9.804 6.358 2.669 1.00 0.00 C ATOM 800 C ALA A 94 9.392 4.877 2.709 1.00 0.00 C ATOM 801 O ALA A 94 8.821 4.422 3.704 1.00 0.00 O ATOM 802 CB ALA A 94 10.758 6.691 3.824 1.00 0.00 C ATOM 0 H ALA A 94 8.549 7.774 3.594 1.00 0.00 H new ATOM 0 HA ALA A 94 10.323 6.542 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.638 6.050 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.064 7.735 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.251 6.525 4.774 1.00 0.00 H new ATOM 808 N VAL A 95 9.651 4.154 1.605 1.00 0.00 N ATOM 809 CA VAL A 95 9.268 2.741 1.463 1.00 0.00 C ATOM 810 C VAL A 95 10.309 1.842 2.174 1.00 0.00 C ATOM 811 O VAL A 95 11.470 1.805 1.749 1.00 0.00 O ATOM 812 CB VAL A 95 9.138 2.313 -0.055 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.606 0.859 -0.205 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.251 3.307 -0.835 1.00 0.00 C ATOM 0 H VAL A 95 10.131 4.533 0.789 1.00 0.00 H new ATOM 0 HA VAL A 95 8.290 2.615 1.927 1.00 0.00 H new ATOM 0 HB VAL A 95 10.140 2.337 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.532 0.606 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.291 0.168 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.621 0.782 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.178 2.990 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.255 3.331 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.693 4.302 -0.789 1.00 0.00 H new ATOM 824 N PRO A 96 9.921 1.125 3.278 1.00 0.00 N ATOM 825 CA PRO A 96 10.808 0.139 3.937 1.00 0.00 C ATOM 826 C PRO A 96 11.071 -1.090 3.028 1.00 0.00 C ATOM 827 O PRO A 96 10.240 -1.450 2.185 1.00 0.00 O ATOM 828 CB PRO A 96 10.030 -0.239 5.225 1.00 0.00 C ATOM 829 CG PRO A 96 8.592 0.018 4.889 1.00 0.00 C ATOM 830 CD PRO A 96 8.606 1.227 3.973 1.00 0.00 C ATOM 0 HA PRO A 96 11.801 0.534 4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.193 -1.282 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.352 0.364 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.143 -0.844 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.006 0.212 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.776 1.204 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.521 2.157 4.535 1.00 0.00 H new ATOM 838 N ASP A 97 12.244 -1.715 3.225 1.00 0.00 N ATOM 839 CA ASP A 97 12.726 -2.873 2.427 1.00 0.00 C ATOM 840 C ASP A 97 11.836 -4.124 2.616 1.00 0.00 C ATOM 841 O ASP A 97 11.894 -5.061 1.805 1.00 0.00 O ATOM 842 CB ASP A 97 14.192 -3.216 2.810 1.00 0.00 C ATOM 843 CG ASP A 97 15.175 -2.055 2.575 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.077 -1.029 3.290 1.00 0.00 O ATOM 845 OD2 ASP A 97 16.039 -2.143 1.665 1.00 0.00 O ATOM 0 H ASP A 97 12.900 -1.431 3.953 1.00 0.00 H new ATOM 0 HA ASP A 97 12.675 -2.583 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.227 -3.504 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.518 -4.080 2.231 1.00 0.00 H new ATOM 850 N THR A 98 11.015 -4.120 3.689 1.00 0.00 N ATOM 851 CA THR A 98 10.096 -5.228 4.029 1.00 0.00 C ATOM 852 C THR A 98 8.923 -5.311 3.023 1.00 0.00 C ATOM 853 O THR A 98 8.309 -6.377 2.860 1.00 0.00 O ATOM 854 CB THR A 98 9.558 -5.074 5.500 1.00 0.00 C ATOM 855 OG1 THR A 98 8.764 -6.214 5.881 1.00 0.00 O ATOM 856 CG2 THR A 98 8.740 -3.781 5.684 1.00 0.00 C ATOM 0 H THR A 98 10.971 -3.343 4.348 1.00 0.00 H new ATOM 0 HA THR A 98 10.658 -6.160 3.965 1.00 0.00 H new ATOM 0 HB THR A 98 10.431 -5.015 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.962 -6.455 6.810 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.389 -3.716 6.714 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.368 -2.918 5.460 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.884 -3.793 5.009 1.00 0.00 H new ATOM 864 N PHE A 99 8.618 -4.168 2.371 1.00 0.00 N ATOM 865 CA PHE A 99 7.601 -4.078 1.308 1.00 0.00 C ATOM 866 C PHE A 99 8.088 -4.853 0.072 1.00 0.00 C ATOM 867 O PHE A 99 9.152 -4.542 -0.474 1.00 0.00 O ATOM 868 CB PHE A 99 7.329 -2.589 0.945 1.00 0.00 C ATOM 869 CG PHE A 99 6.405 -2.371 -0.268 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.019 -2.360 -0.127 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.932 -2.176 -1.552 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.196 -2.161 -1.218 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.106 -1.983 -2.638 1.00 0.00 C ATOM 874 CZ PHE A 99 4.741 -1.976 -2.471 1.00 0.00 C ATOM 0 H PHE A 99 9.075 -3.278 2.571 1.00 0.00 H new ATOM 0 HA PHE A 99 6.668 -4.517 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.889 -2.095 1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.283 -2.099 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.582 -2.509 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.003 -2.177 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.124 -2.150 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.531 -1.837 -3.620 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.095 -1.825 -3.323 1.00 0.00 H new ATOM 884 N LYS A 100 7.300 -5.849 -0.354 1.00 0.00 N ATOM 885 CA LYS A 100 7.590 -6.658 -1.549 1.00 0.00 C ATOM 886 C LYS A 100 6.338 -7.457 -1.964 1.00 0.00 C ATOM 887 O LYS A 100 5.450 -7.676 -1.135 1.00 0.00 O ATOM 888 CB LYS A 100 8.790 -7.620 -1.290 1.00 0.00 C ATOM 889 CG LYS A 100 8.579 -8.672 -0.181 1.00 0.00 C ATOM 890 CD LYS A 100 9.827 -9.559 0.020 1.00 0.00 C ATOM 891 CE LYS A 100 9.673 -10.538 1.188 1.00 0.00 C ATOM 892 NZ LYS A 100 9.360 -9.842 2.465 1.00 0.00 N ATOM 0 H LYS A 100 6.439 -6.119 0.122 1.00 0.00 H new ATOM 0 HA LYS A 100 7.865 -5.986 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.021 -8.141 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.664 -7.020 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.338 -8.168 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.725 -9.300 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.021 -10.119 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.695 -8.924 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.880 -11.251 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.593 -11.111 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.497 -10.498 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.992 -9.024 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.372 -9.517 2.450 1.00 0.00 H new ATOM 906 N PRO A 101 6.227 -7.893 -3.261 1.00 0.00 N ATOM 907 CA PRO A 101 5.146 -8.806 -3.696 1.00 0.00 C ATOM 908 C PRO A 101 5.158 -10.134 -2.895 1.00 0.00 C ATOM 909 O PRO A 101 6.145 -10.879 -2.925 1.00 0.00 O ATOM 910 CB PRO A 101 5.436 -9.033 -5.205 1.00 0.00 C ATOM 911 CG PRO A 101 6.858 -8.610 -5.410 1.00 0.00 C ATOM 912 CD PRO A 101 7.105 -7.511 -4.403 1.00 0.00 C ATOM 0 HA PRO A 101 4.153 -8.392 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.295 -10.079 -5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.759 -8.447 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.541 -9.445 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.018 -8.253 -6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.153 -7.464 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.842 -6.532 -4.803 1.00 0.00 H new ATOM 920 N GLY A 102 4.070 -10.388 -2.150 1.00 0.00 N ATOM 921 CA GLY A 102 3.936 -11.602 -1.337 1.00 0.00 C ATOM 922 C GLY A 102 3.771 -11.317 0.149 1.00 0.00 C ATOM 923 O GLY A 102 3.343 -12.206 0.898 1.00 0.00 O ATOM 0 H GLY A 102 3.266 -9.762 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.076 -12.173 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.816 -12.228 -1.484 1.00 0.00 H new ATOM 927 N VAL A 103 4.119 -10.093 0.599 1.00 0.00 N ATOM 928 CA VAL A 103 3.951 -9.693 2.017 1.00 0.00 C ATOM 929 C VAL A 103 2.609 -8.948 2.202 1.00 0.00 C ATOM 930 O VAL A 103 2.139 -8.273 1.276 1.00 0.00 O ATOM 931 CB VAL A 103 5.158 -8.800 2.534 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.105 -7.348 1.996 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.253 -8.827 4.080 1.00 0.00 C ATOM 0 H VAL A 103 4.517 -9.365 0.005 1.00 0.00 H new ATOM 0 HA VAL A 103 3.945 -10.603 2.617 1.00 0.00 H new ATOM 0 HB VAL A 103 6.068 -9.244 2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.955 -6.785 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.145 -7.362 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.178 -6.874 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.089 -8.207 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.328 -8.442 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.410 -9.852 4.417 1.00 0.00 H new ATOM 943 N GLU A 104 1.991 -9.099 3.387 1.00 0.00 N ATOM 944 CA GLU A 104 0.804 -8.331 3.761 1.00 0.00 C ATOM 945 C GLU A 104 1.224 -7.001 4.367 1.00 0.00 C ATOM 946 O GLU A 104 2.078 -6.965 5.252 1.00 0.00 O ATOM 947 CB GLU A 104 -0.078 -9.093 4.771 1.00 0.00 C ATOM 948 CG GLU A 104 -0.770 -10.337 4.205 1.00 0.00 C ATOM 949 CD GLU A 104 -1.759 -10.965 5.197 1.00 0.00 C ATOM 950 OE1 GLU A 104 -2.863 -10.401 5.381 1.00 0.00 O ATOM 951 OE2 GLU A 104 -1.435 -11.997 5.820 1.00 0.00 O ATOM 0 H GLU A 104 2.303 -9.754 4.104 1.00 0.00 H new ATOM 0 HA GLU A 104 0.219 -8.167 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.539 -9.391 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.839 -8.413 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.299 -10.069 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.016 -11.075 3.933 1.00 0.00 H new ATOM 958 N VAL A 105 0.621 -5.919 3.866 1.00 0.00 N ATOM 959 CA VAL A 105 0.822 -4.567 4.391 1.00 0.00 C ATOM 960 C VAL A 105 -0.452 -4.055 5.081 1.00 0.00 C ATOM 961 O VAL A 105 -1.573 -4.509 4.806 1.00 0.00 O ATOM 962 CB VAL A 105 1.279 -3.557 3.276 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.665 -3.947 2.715 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.223 -3.420 2.144 1.00 0.00 C ATOM 0 H VAL A 105 -0.026 -5.958 3.078 1.00 0.00 H new ATOM 0 HA VAL A 105 1.625 -4.629 5.126 1.00 0.00 H new ATOM 0 HB VAL A 105 1.368 -2.575 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.960 -3.234 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.400 -3.936 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.615 -4.947 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.581 -2.712 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.062 -4.392 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.716 -3.060 2.564 1.00 0.00 H new ATOM 974 N ILE A 106 -0.230 -3.116 5.995 1.00 0.00 N ATOM 975 CA ILE A 106 -1.255 -2.399 6.749 1.00 0.00 C ATOM 976 C ILE A 106 -0.999 -0.920 6.477 1.00 0.00 C ATOM 977 O ILE A 106 0.111 -0.432 6.716 1.00 0.00 O ATOM 978 CB ILE A 106 -1.157 -2.681 8.296 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.247 -4.211 8.590 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.237 -1.893 9.074 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.095 -4.597 10.055 1.00 0.00 C ATOM 0 H ILE A 106 0.714 -2.819 6.243 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.251 -2.719 6.442 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.183 -2.334 8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.209 -4.578 8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.476 -4.722 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.146 -2.106 10.139 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.101 -0.825 8.905 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.226 -2.192 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.172 -5.680 10.156 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.122 -4.267 10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.882 -4.121 10.640 1.00 0.00 H new ATOM 993 N ILE A 107 -1.992 -0.231 5.924 1.00 0.00 N ATOM 994 CA ILE A 107 -1.840 1.147 5.436 1.00 0.00 C ATOM 995 C ILE A 107 -2.979 2.032 5.961 1.00 0.00 C ATOM 996 O ILE A 107 -4.148 1.658 5.874 1.00 0.00 O ATOM 997 CB ILE A 107 -1.804 1.172 3.858 1.00 0.00 C ATOM 998 CG1 ILE A 107 -2.991 0.344 3.257 1.00 0.00 C ATOM 999 CG2 ILE A 107 -0.443 0.668 3.319 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -3.039 0.294 1.745 1.00 0.00 C ATOM 0 H ILE A 107 -2.931 -0.609 5.798 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.896 1.543 5.810 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.922 2.208 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.931 -0.676 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.928 0.765 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.450 0.697 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.356 1.307 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.276 -0.356 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.895 -0.302 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.135 1.306 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.122 -0.158 1.367 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.624 3.190 6.542 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.604 4.184 7.005 1.00 0.00 C ATOM 1014 C GLU A 108 -3.576 5.383 6.056 1.00 0.00 C ATOM 1015 O GLU A 108 -2.545 5.679 5.430 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.325 4.672 8.456 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.327 3.580 9.545 1.00 0.00 C ATOM 1018 CD GLU A 108 -2.036 2.749 9.583 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -1.022 3.252 10.103 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -2.020 1.598 9.104 1.00 0.00 O ATOM 0 H GLU A 108 -1.654 3.462 6.703 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.584 3.706 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.356 5.171 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.073 5.420 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.477 4.049 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.174 2.914 9.379 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.723 6.051 5.949 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.856 7.270 5.175 1.00 0.00 C ATOM 1029 C GLY A 109 -6.311 7.548 4.883 1.00 0.00 C ATOM 1030 O GLY A 109 -7.107 7.713 5.820 1.00 0.00 O ATOM 0 H GLY A 109 -5.588 5.755 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.422 8.106 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.301 7.178 4.241 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.662 7.597 3.592 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.046 7.748 3.170 1.00 0.00 C ATOM 1036 C GLY A 110 -8.321 7.095 1.832 1.00 0.00 C ATOM 1037 O GLY A 110 -7.392 6.757 1.088 1.00 0.00 O ATOM 0 H GLY A 110 -5.996 7.533 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.702 7.313 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.290 8.809 3.110 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.601 6.891 1.538 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.074 6.449 0.223 1.00 0.00 C ATOM 1043 C LEU A 111 -11.212 7.376 -0.217 1.00 0.00 C ATOM 1044 O LEU A 111 -12.241 7.473 0.465 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.533 4.965 0.283 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.121 4.345 -1.033 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.146 4.474 -2.225 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.540 2.867 -0.803 1.00 0.00 C ATOM 0 H LEU A 111 -10.353 7.029 2.214 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.268 6.503 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.681 4.359 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.287 4.875 1.065 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.011 4.917 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.597 4.031 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.937 5.527 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.216 3.955 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.945 2.456 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.670 2.286 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.299 2.821 -0.022 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.995 8.069 -1.344 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.977 8.997 -1.920 1.00 0.00 C ATOM 1062 C ALA A 112 -12.977 8.199 -2.781 1.00 0.00 C ATOM 1063 O ALA A 112 -12.544 7.349 -3.566 1.00 0.00 O ATOM 1064 CB ALA A 112 -11.267 10.078 -2.759 1.00 0.00 C ATOM 0 H ALA A 112 -10.131 8.001 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.518 9.502 -1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.008 10.758 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.580 10.638 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.710 9.604 -3.567 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.320 8.445 -2.649 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.357 7.687 -3.410 1.00 0.00 C ATOM 1072 C PRO A 113 -15.324 7.975 -4.931 1.00 0.00 C ATOM 1073 O PRO A 113 -15.774 7.152 -5.744 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.684 8.166 -2.766 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.369 9.540 -2.249 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.939 9.467 -1.755 1.00 0.00 C ATOM 0 HA PRO A 113 -15.207 6.609 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.494 8.191 -3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.999 7.501 -1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.476 10.289 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.048 9.822 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.436 10.430 -1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.890 9.169 -0.708 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.790 9.155 -5.289 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.591 9.546 -6.686 1.00 0.00 C ATOM 1086 C GLY A 114 -13.370 8.863 -7.321 1.00 0.00 C ATOM 1087 O GLY A 114 -13.248 8.810 -8.550 1.00 0.00 O ATOM 0 H GLY A 114 -14.486 9.860 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.483 9.295 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.469 10.628 -6.743 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.467 8.338 -6.466 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.232 7.644 -6.887 1.00 0.00 C ATOM 1093 C GLU A 115 -11.334 6.134 -6.622 1.00 0.00 C ATOM 1094 O GLU A 115 -12.127 5.684 -5.788 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.997 8.219 -6.141 1.00 0.00 C ATOM 1096 CG GLU A 115 -9.707 9.704 -6.418 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.430 10.191 -5.711 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -8.325 10.005 -4.483 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.530 10.752 -6.367 1.00 0.00 O ATOM 0 H GLU A 115 -12.576 8.385 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.110 7.807 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.144 8.086 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.119 7.635 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.606 9.858 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.554 10.305 -6.088 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.536 5.361 -7.373 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.344 3.914 -7.139 1.00 0.00 C ATOM 1108 C ASP A 116 -8.926 3.659 -6.604 1.00 0.00 C ATOM 1109 O ASP A 116 -8.378 2.550 -6.739 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.603 3.116 -8.447 1.00 0.00 C ATOM 1111 CG ASP A 116 -12.033 3.297 -8.993 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -12.997 3.018 -8.248 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -12.202 3.710 -10.163 1.00 0.00 O ATOM 0 H ASP A 116 -10.001 5.719 -8.164 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.061 3.571 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -9.888 3.433 -9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.423 2.057 -8.261 1.00 0.00 H new ATOM 1118 N THR A 117 -8.359 4.689 -5.942 1.00 0.00 N ATOM 1119 CA THR A 117 -7.002 4.650 -5.405 1.00 0.00 C ATOM 1120 C THR A 117 -6.980 5.197 -3.958 1.00 0.00 C ATOM 1121 O THR A 117 -7.393 6.335 -3.693 1.00 0.00 O ATOM 1122 CB THR A 117 -5.977 5.404 -6.324 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.685 5.417 -5.700 1.00 0.00 O ATOM 1124 CG2 THR A 117 -6.397 6.846 -6.651 1.00 0.00 C ATOM 0 H THR A 117 -8.841 5.571 -5.769 1.00 0.00 H new ATOM 0 HA THR A 117 -6.684 3.608 -5.383 1.00 0.00 H new ATOM 0 HB THR A 117 -5.947 4.859 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.048 5.887 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 117 -5.644 7.308 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.356 6.837 -7.169 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.489 7.417 -5.727 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.524 4.342 -3.036 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.322 4.666 -1.618 1.00 0.00 C ATOM 1134 C PHE A 118 -4.997 5.438 -1.465 1.00 0.00 C ATOM 1135 O PHE A 118 -3.979 4.995 -1.989 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.284 3.331 -0.816 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.079 3.479 0.694 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -4.797 3.540 1.245 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.162 3.550 1.559 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -4.618 3.667 2.606 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -6.973 3.678 2.917 1.00 0.00 C ATOM 1142 CZ PHE A 118 -5.704 3.736 3.437 1.00 0.00 C ATOM 0 H PHE A 118 -6.278 3.378 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.130 5.290 -1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.218 2.796 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.483 2.709 -1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -3.935 3.487 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.165 3.504 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -3.620 3.712 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -7.827 3.733 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.562 3.836 4.503 1.00 0.00 H new ATOM 1152 N LYS A 119 -4.994 6.580 -0.759 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.743 7.320 -0.474 1.00 0.00 C ATOM 1154 C LYS A 119 -3.249 6.955 0.943 1.00 0.00 C ATOM 1155 O LYS A 119 -3.950 7.182 1.934 1.00 0.00 O ATOM 1156 CB LYS A 119 -3.884 8.876 -0.680 1.00 0.00 C ATOM 1157 CG LYS A 119 -4.881 9.646 0.233 1.00 0.00 C ATOM 1158 CD LYS A 119 -6.389 9.474 -0.115 1.00 0.00 C ATOM 1159 CE LYS A 119 -6.819 10.132 -1.438 1.00 0.00 C ATOM 1160 NZ LYS A 119 -6.296 9.441 -2.648 1.00 0.00 N ATOM 0 H LYS A 119 -5.834 7.013 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.992 7.012 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.898 9.321 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.176 9.051 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.726 9.323 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.637 10.707 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.619 8.410 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.986 9.893 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.908 10.154 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.478 11.167 -1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.039 9.404 -3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.475 9.962 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.008 8.473 -2.398 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.052 6.340 1.012 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.434 5.882 2.268 1.00 0.00 C ATOM 1176 C ALA A 120 -0.226 6.752 2.602 1.00 0.00 C ATOM 1177 O ALA A 120 0.635 6.967 1.745 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.008 4.411 2.121 1.00 0.00 C ATOM 0 H ALA A 120 -1.483 6.146 0.188 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.156 5.965 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.550 4.070 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.883 3.799 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.288 4.320 1.307 1.00 0.00 H new ATOM 1184 N ARG A 121 -0.176 7.276 3.836 1.00 0.00 N ATOM 1185 CA ARG A 121 0.988 8.044 4.335 1.00 0.00 C ATOM 1186 C ARG A 121 1.894 7.137 5.201 1.00 0.00 C ATOM 1187 O ARG A 121 3.009 7.527 5.579 1.00 0.00 O ATOM 1188 CB ARG A 121 0.547 9.316 5.136 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.001 9.097 6.575 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.366 8.408 6.612 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.823 8.146 7.991 1.00 0.00 N ATOM 1192 CZ ARG A 121 -2.924 8.675 8.555 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -3.720 9.501 7.878 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -3.221 8.368 9.805 1.00 0.00 N ATOM 0 H ARG A 121 -0.931 7.184 4.515 1.00 0.00 H new ATOM 0 HA ARG A 121 1.555 8.389 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.403 9.988 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.220 9.830 4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.714 8.499 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.077 10.062 7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.099 9.031 6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.311 7.467 6.065 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.260 7.515 8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.500 9.744 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.550 9.890 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.618 7.736 10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.053 8.763 10.243 1.00 0.00 H new ATOM 1208 N THR A 122 1.399 5.919 5.501 1.00 0.00 N ATOM 1209 CA THR A 122 2.069 4.930 6.364 1.00 0.00 C ATOM 1210 C THR A 122 2.001 3.536 5.705 1.00 0.00 C ATOM 1211 O THR A 122 1.071 3.249 4.938 1.00 0.00 O ATOM 1212 CB THR A 122 1.413 4.875 7.784 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.019 4.780 7.657 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.769 6.096 8.641 1.00 0.00 C ATOM 0 H THR A 122 0.503 5.590 5.141 1.00 0.00 H new ATOM 0 HA THR A 122 3.109 5.233 6.483 1.00 0.00 H new ATOM 0 HB THR A 122 1.808 3.993 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.393 4.378 8.469 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.289 6.009 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.850 6.146 8.772 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.421 7.002 8.145 1.00 0.00 H new ATOM 1222 N LEU A 123 2.995 2.692 6.018 1.00 0.00 N ATOM 1223 CA LEU A 123 3.174 1.365 5.408 1.00 0.00 C ATOM 1224 C LEU A 123 3.863 0.449 6.433 1.00 0.00 C ATOM 1225 O LEU A 123 5.045 0.645 6.752 1.00 0.00 O ATOM 1226 CB LEU A 123 4.038 1.492 4.126 1.00 0.00 C ATOM 1227 CG LEU A 123 4.224 0.208 3.262 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.900 -0.222 2.603 1.00 0.00 C ATOM 1229 CD2 LEU A 123 5.336 0.409 2.217 1.00 0.00 C ATOM 0 H LEU A 123 3.708 2.915 6.712 1.00 0.00 H new ATOM 0 HA LEU A 123 2.209 0.941 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 123 3.595 2.262 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 123 5.026 1.848 4.418 1.00 0.00 H new ATOM 0 HG LEU A 123 4.531 -0.601 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.065 -1.120 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.160 -0.429 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.537 0.579 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.448 -0.500 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.073 1.239 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.275 0.631 2.723 1.00 0.00 H new ATOM 1241 N MET A 124 3.112 -0.531 6.956 1.00 0.00 N ATOM 1242 CA MET A 124 3.580 -1.441 8.022 1.00 0.00 C ATOM 1243 C MET A 124 3.173 -2.881 7.687 1.00 0.00 C ATOM 1244 O MET A 124 1.987 -3.192 7.662 1.00 0.00 O ATOM 1245 CB MET A 124 2.955 -1.009 9.383 1.00 0.00 C ATOM 1246 CG MET A 124 3.281 -1.923 10.581 1.00 0.00 C ATOM 1247 SD MET A 124 2.480 -1.395 12.117 1.00 0.00 S ATOM 1248 CE MET A 124 0.735 -1.488 11.690 1.00 0.00 C ATOM 0 H MET A 124 2.157 -0.719 6.652 1.00 0.00 H new ATOM 0 HA MET A 124 4.666 -1.390 8.096 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.295 0.000 9.615 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.872 -0.962 9.268 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.971 -2.942 10.348 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.361 -1.945 10.730 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.177 -1.907 12.528 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.361 -0.488 11.468 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.608 -2.125 10.815 1.00 0.00 H new ATOM 1258 N THR A 125 4.156 -3.753 7.430 1.00 0.00 N ATOM 1259 CA THR A 125 3.895 -5.161 7.095 1.00 0.00 C ATOM 1260 C THR A 125 3.565 -5.975 8.363 1.00 0.00 C ATOM 1261 O THR A 125 4.012 -5.639 9.465 1.00 0.00 O ATOM 1262 CB THR A 125 5.108 -5.795 6.341 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.288 -5.705 7.145 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.363 -5.108 4.987 1.00 0.00 C ATOM 0 H THR A 125 5.146 -3.507 7.448 1.00 0.00 H new ATOM 0 HA THR A 125 3.030 -5.189 6.432 1.00 0.00 H new ATOM 0 HB THR A 125 4.863 -6.840 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.073 -5.919 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.214 -5.578 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 125 4.479 -5.207 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.576 -4.051 5.150 1.00 0.00 H new ATOM 1272 N LYS A 126 2.763 -7.034 8.192 1.00 0.00 N ATOM 1273 CA LYS A 126 2.411 -7.959 9.287 1.00 0.00 C ATOM 1274 C LYS A 126 3.608 -8.881 9.587 1.00 0.00 C ATOM 1275 O LYS A 126 3.905 -9.187 10.750 1.00 0.00 O ATOM 1276 CB LYS A 126 1.157 -8.789 8.910 1.00 0.00 C ATOM 1277 CG LYS A 126 -0.104 -7.944 8.641 1.00 0.00 C ATOM 1278 CD LYS A 126 -1.344 -8.811 8.338 1.00 0.00 C ATOM 1279 CE LYS A 126 -2.596 -7.965 8.069 1.00 0.00 C ATOM 1280 NZ LYS A 126 -3.778 -8.814 7.778 1.00 0.00 N ATOM 0 H LYS A 126 2.339 -7.276 7.296 1.00 0.00 H new ATOM 0 HA LYS A 126 2.177 -7.384 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.380 -9.380 8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.945 -9.492 9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.308 -7.315 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.083 -7.276 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.141 -9.441 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.533 -9.478 9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.804 -7.336 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.411 -7.298 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -4.601 -8.209 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.582 -9.408 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.980 -9.421 8.598 1.00 0.00 H new