USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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 -123:sc= 0.223 USER MOD Set 1.2: A 125 THR OG1 : rot 18:sc= 0.0653 USER MOD Single : A 52 THR OG1 : rot 33:sc= 0.0443 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -145:sc= -1.56 (180deg=-2.76!) USER MOD Single : A 86 THR OG1 : rot -34:sc= 0.212 USER MOD Single : A 91 TYR OH : rot -179:sc= 0.567 USER MOD Single : A 92 LYS NZ :NH3+ 137:sc= -0.114 (180deg=-1.78!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 23:sc= 0.0451 USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 0.412 (180deg=0.347) USER MOD Single : A 122 THR OG1 : rot 134:sc= -1.28! USER MOD Single : A 124 MET CE :methyl -111:sc= -0.379 (180deg=-3.02!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -10.324 7.342 9.825 1.00 0.00 N ATOM 147 CA THR A 52 -9.182 6.886 8.993 1.00 0.00 C ATOM 148 C THR A 52 -9.351 5.392 8.641 1.00 0.00 C ATOM 149 O THR A 52 -9.778 4.588 9.483 1.00 0.00 O ATOM 150 CB THR A 52 -7.802 7.122 9.711 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.648 8.518 9.993 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.587 6.666 8.879 1.00 0.00 C ATOM 0 HA THR A 52 -9.180 7.478 8.078 1.00 0.00 H new ATOM 0 HB THR A 52 -7.823 6.521 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.525 8.913 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.671 6.859 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.667 5.599 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.562 7.217 7.939 1.00 0.00 H new ATOM 160 N VAL A 53 -9.015 5.039 7.396 1.00 0.00 N ATOM 161 CA VAL A 53 -9.313 3.718 6.841 1.00 0.00 C ATOM 162 C VAL A 53 -8.057 2.845 6.944 1.00 0.00 C ATOM 163 O VAL A 53 -7.067 3.090 6.251 1.00 0.00 O ATOM 164 CB VAL A 53 -9.791 3.803 5.347 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.294 2.422 4.839 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.860 4.904 5.162 1.00 0.00 C ATOM 0 H VAL A 53 -8.530 5.660 6.748 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.129 3.278 7.414 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.932 4.081 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.618 2.512 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.486 1.694 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.131 2.091 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.170 4.938 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.723 4.683 5.790 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.442 5.869 5.448 1.00 0.00 H new ATOM 176 N ARG A 54 -8.095 1.870 7.852 1.00 0.00 N ATOM 177 CA ARG A 54 -7.029 0.884 8.035 1.00 0.00 C ATOM 178 C ARG A 54 -7.463 -0.420 7.350 1.00 0.00 C ATOM 179 O ARG A 54 -8.403 -1.082 7.799 1.00 0.00 O ATOM 180 CB ARG A 54 -6.735 0.687 9.546 1.00 0.00 C ATOM 181 CG ARG A 54 -5.596 -0.307 9.872 1.00 0.00 C ATOM 182 CD ARG A 54 -5.188 -0.246 11.353 1.00 0.00 C ATOM 183 NE ARG A 54 -4.215 -1.300 11.724 1.00 0.00 N ATOM 184 CZ ARG A 54 -3.064 -1.102 12.382 1.00 0.00 C ATOM 185 NH1 ARG A 54 -2.634 0.124 12.655 1.00 0.00 N ATOM 186 NH2 ARG A 54 -2.334 -2.144 12.756 1.00 0.00 N ATOM 0 H ARG A 54 -8.879 1.741 8.491 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.100 1.226 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.486 1.655 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.646 0.343 10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.916 -1.319 9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.731 -0.085 9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.756 0.732 11.566 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.078 -0.344 11.975 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.440 -2.258 11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.182 0.933 12.363 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.756 0.257 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.649 -3.090 12.543 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.457 -1.999 13.257 1.00 0.00 H new ATOM 200 N LEU A 55 -6.793 -0.749 6.240 1.00 0.00 N ATOM 201 CA LEU A 55 -7.142 -1.886 5.372 1.00 0.00 C ATOM 202 C LEU A 55 -5.981 -2.897 5.434 1.00 0.00 C ATOM 203 O LEU A 55 -4.808 -2.511 5.391 1.00 0.00 O ATOM 204 CB LEU A 55 -7.420 -1.354 3.925 1.00 0.00 C ATOM 205 CG LEU A 55 -8.093 -2.312 2.875 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.608 -1.518 1.652 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.156 -3.443 2.397 1.00 0.00 C ATOM 0 H LEU A 55 -5.980 -0.227 5.912 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.049 -2.394 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.051 -0.470 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.469 -1.025 3.507 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.931 -2.779 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.069 -2.204 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.345 -0.784 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.774 -1.006 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.680 -4.069 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.272 -3.010 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.854 -4.050 3.250 1.00 0.00 H new ATOM 219 N PHE A 56 -6.327 -4.182 5.547 1.00 0.00 N ATOM 220 CA PHE A 56 -5.367 -5.291 5.681 1.00 0.00 C ATOM 221 C PHE A 56 -5.383 -6.082 4.366 1.00 0.00 C ATOM 222 O PHE A 56 -6.459 -6.428 3.875 1.00 0.00 O ATOM 223 CB PHE A 56 -5.772 -6.205 6.877 1.00 0.00 C ATOM 224 CG PHE A 56 -5.941 -5.452 8.195 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.115 -4.742 8.467 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.930 -5.429 9.148 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.263 -4.036 9.640 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.078 -4.714 10.317 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.243 -4.021 10.566 1.00 0.00 C ATOM 0 H PHE A 56 -7.299 -4.491 5.548 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.364 -4.912 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.707 -6.711 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.014 -6.978 7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.918 -4.748 7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.017 -5.978 8.971 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.177 -3.495 9.834 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.277 -4.697 11.041 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.356 -3.467 11.486 1.00 0.00 H new ATOM 239 N GLY A 57 -4.206 -6.376 3.805 1.00 0.00 N ATOM 240 CA GLY A 57 -4.119 -7.031 2.494 1.00 0.00 C ATOM 241 C GLY A 57 -2.754 -7.634 2.246 1.00 0.00 C ATOM 242 O GLY A 57 -1.901 -7.665 3.144 1.00 0.00 O ATOM 0 H GLY A 57 -3.304 -6.172 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.877 -7.812 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.341 -6.305 1.712 1.00 0.00 H new ATOM 246 N THR A 58 -2.551 -8.144 1.034 1.00 0.00 N ATOM 247 CA THR A 58 -1.260 -8.645 0.559 1.00 0.00 C ATOM 248 C THR A 58 -0.937 -7.984 -0.788 1.00 0.00 C ATOM 249 O THR A 58 -1.821 -7.818 -1.636 1.00 0.00 O ATOM 250 CB THR A 58 -1.279 -10.200 0.419 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.736 -10.781 1.653 1.00 0.00 O ATOM 252 CG2 THR A 58 0.115 -10.772 0.066 1.00 0.00 C ATOM 0 H THR A 58 -3.293 -8.223 0.339 1.00 0.00 H new ATOM 0 HA THR A 58 -0.487 -8.393 1.286 1.00 0.00 H new ATOM 0 HB THR A 58 -1.955 -10.453 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.751 -11.757 1.569 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.052 -11.857 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.452 -10.351 -0.881 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.825 -10.512 0.851 1.00 0.00 H new ATOM 260 N VAL A 59 0.334 -7.613 -0.968 1.00 0.00 N ATOM 261 CA VAL A 59 0.815 -6.893 -2.147 1.00 0.00 C ATOM 262 C VAL A 59 0.970 -7.879 -3.302 1.00 0.00 C ATOM 263 O VAL A 59 1.710 -8.866 -3.183 1.00 0.00 O ATOM 264 CB VAL A 59 2.197 -6.189 -1.864 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.685 -5.366 -3.083 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.113 -5.313 -0.598 1.00 0.00 C ATOM 0 H VAL A 59 1.068 -7.808 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 59 0.090 -6.121 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 59 2.936 -6.971 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.640 -4.897 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.807 -6.026 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.951 -4.595 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.077 -4.836 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.349 -4.547 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.853 -5.935 0.258 1.00 0.00 H new ATOM 276 N ALA A 60 0.237 -7.628 -4.393 1.00 0.00 N ATOM 277 CA ALA A 60 0.351 -8.421 -5.616 1.00 0.00 C ATOM 278 C ALA A 60 1.735 -8.225 -6.252 1.00 0.00 C ATOM 279 O ALA A 60 2.273 -7.105 -6.290 1.00 0.00 O ATOM 280 CB ALA A 60 -0.765 -8.069 -6.618 1.00 0.00 C ATOM 0 H ALA A 60 -0.447 -6.874 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 60 0.235 -9.472 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.652 -8.676 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.736 -8.268 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.697 -7.014 -6.882 1.00 0.00 H new ATOM 286 N ALA A 61 2.304 -9.338 -6.726 1.00 0.00 N ATOM 287 CA ALA A 61 3.550 -9.339 -7.510 1.00 0.00 C ATOM 288 C ALA A 61 3.259 -8.856 -8.951 1.00 0.00 C ATOM 289 O ALA A 61 4.169 -8.464 -9.687 1.00 0.00 O ATOM 290 CB ALA A 61 4.187 -10.735 -7.497 1.00 0.00 C ATOM 0 H ALA A 61 1.914 -10.269 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 61 4.265 -8.650 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.107 -10.720 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.413 -11.022 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.494 -11.455 -7.931 1.00 0.00 H new ATOM 296 N ASP A 62 1.969 -8.912 -9.332 1.00 0.00 N ATOM 297 CA ASP A 62 1.451 -8.329 -10.577 1.00 0.00 C ATOM 298 C ASP A 62 0.863 -6.936 -10.271 1.00 0.00 C ATOM 299 O ASP A 62 -0.173 -6.834 -9.606 1.00 0.00 O ATOM 300 CB ASP A 62 0.367 -9.258 -11.196 1.00 0.00 C ATOM 301 CG ASP A 62 -0.310 -8.650 -12.440 1.00 0.00 C ATOM 302 OD1 ASP A 62 0.360 -8.523 -13.495 1.00 0.00 O ATOM 303 OD2 ASP A 62 -1.507 -8.293 -12.377 1.00 0.00 O ATOM 0 H ASP A 62 1.250 -9.371 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 62 2.260 -8.228 -11.300 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.824 -10.210 -11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.393 -9.472 -10.444 1.00 0.00 H new ATOM 308 N GLY A 63 1.549 -5.874 -10.732 1.00 0.00 N ATOM 309 CA GLY A 63 1.069 -4.493 -10.569 1.00 0.00 C ATOM 310 C GLY A 63 1.695 -3.796 -9.365 1.00 0.00 C ATOM 311 O GLY A 63 1.006 -3.447 -8.403 1.00 0.00 O ATOM 0 H GLY A 63 2.441 -5.949 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.294 -3.925 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.015 -4.499 -10.458 1.00 0.00 H new ATOM 315 N LEU A 64 3.017 -3.595 -9.429 1.00 0.00 N ATOM 316 CA LEU A 64 3.779 -2.840 -8.420 1.00 0.00 C ATOM 317 C LEU A 64 4.743 -1.922 -9.185 1.00 0.00 C ATOM 318 O LEU A 64 5.519 -2.397 -10.022 1.00 0.00 O ATOM 319 CB LEU A 64 4.531 -3.820 -7.451 1.00 0.00 C ATOM 320 CG LEU A 64 5.084 -3.230 -6.095 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.508 -4.356 -5.129 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.256 -2.234 -6.296 1.00 0.00 C ATOM 0 H LEU A 64 3.595 -3.954 -10.189 1.00 0.00 H new ATOM 0 HA LEU A 64 3.123 -2.240 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.853 -4.638 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.370 -4.252 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 64 4.259 -2.670 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.885 -3.919 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.648 -4.989 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.291 -4.957 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.590 -1.865 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.082 -2.740 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.921 -1.396 -6.907 1.00 0.00 H new ATOM 334 N THR A 65 4.673 -0.609 -8.910 1.00 0.00 N ATOM 335 CA THR A 65 5.543 0.401 -9.539 1.00 0.00 C ATOM 336 C THR A 65 5.827 1.542 -8.552 1.00 0.00 C ATOM 337 O THR A 65 4.925 1.999 -7.849 1.00 0.00 O ATOM 338 CB THR A 65 4.898 0.965 -10.851 1.00 0.00 C ATOM 339 OG1 THR A 65 4.633 -0.117 -11.759 1.00 0.00 O ATOM 340 CG2 THR A 65 5.792 2.001 -11.565 1.00 0.00 C ATOM 0 H THR A 65 4.009 -0.216 -8.243 1.00 0.00 H new ATOM 0 HA THR A 65 6.484 -0.080 -9.807 1.00 0.00 H new ATOM 0 HB THR A 65 3.977 1.469 -10.557 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.228 0.236 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.291 2.354 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.976 2.843 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.741 1.538 -11.835 1.00 0.00 H new ATOM 348 N MET A 66 7.088 2.009 -8.534 1.00 0.00 N ATOM 349 CA MET A 66 7.547 3.072 -7.617 1.00 0.00 C ATOM 350 C MET A 66 7.180 4.448 -8.207 1.00 0.00 C ATOM 351 O MET A 66 7.073 4.585 -9.434 1.00 0.00 O ATOM 352 CB MET A 66 9.082 2.964 -7.401 1.00 0.00 C ATOM 353 CG MET A 66 9.567 1.560 -7.009 1.00 0.00 C ATOM 354 SD MET A 66 8.806 0.940 -5.496 1.00 0.00 S ATOM 355 CE MET A 66 9.366 2.148 -4.296 1.00 0.00 C ATOM 0 H MET A 66 7.819 1.661 -9.154 1.00 0.00 H new ATOM 0 HA MET A 66 7.056 2.956 -6.651 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.588 3.268 -8.317 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.378 3.668 -6.624 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.354 0.869 -7.824 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.649 1.579 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.543 1.656 -3.340 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.292 2.606 -4.645 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.605 2.918 -4.173 1.00 0.00 H new ATOM 365 N LEU A 67 7.000 5.466 -7.350 1.00 0.00 N ATOM 366 CA LEU A 67 6.585 6.819 -7.797 1.00 0.00 C ATOM 367 C LEU A 67 7.738 7.537 -8.533 1.00 0.00 C ATOM 368 O LEU A 67 8.894 7.462 -8.111 1.00 0.00 O ATOM 369 CB LEU A 67 6.058 7.659 -6.600 1.00 0.00 C ATOM 370 CG LEU A 67 4.811 7.067 -5.862 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.284 8.025 -4.773 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.709 6.674 -6.858 1.00 0.00 C ATOM 0 H LEU A 67 7.134 5.384 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 67 5.765 6.707 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.865 7.776 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.806 8.656 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 67 5.132 6.157 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.418 7.579 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.066 8.203 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.994 8.971 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.856 6.266 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.395 7.554 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.093 5.922 -7.548 1.00 0.00 H new ATOM 384 N ASP A 68 7.391 8.225 -9.637 1.00 0.00 N ATOM 385 CA ASP A 68 8.364 8.850 -10.562 1.00 0.00 C ATOM 386 C ASP A 68 9.083 10.043 -9.909 1.00 0.00 C ATOM 387 O ASP A 68 8.448 11.058 -9.609 1.00 0.00 O ATOM 388 CB ASP A 68 7.646 9.323 -11.848 1.00 0.00 C ATOM 389 CG ASP A 68 6.969 8.176 -12.614 1.00 0.00 C ATOM 390 OD1 ASP A 68 7.646 7.498 -13.420 1.00 0.00 O ATOM 391 OD2 ASP A 68 5.763 7.932 -12.404 1.00 0.00 O ATOM 0 H ASP A 68 6.420 8.366 -9.917 1.00 0.00 H new ATOM 0 HA ASP A 68 9.111 8.097 -10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.896 10.069 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.368 9.813 -12.501 1.00 0.00 H new ATOM 396 N GLY A 69 10.401 9.881 -9.681 1.00 0.00 N ATOM 397 CA GLY A 69 11.250 10.932 -9.101 1.00 0.00 C ATOM 398 C GLY A 69 10.809 11.364 -7.701 1.00 0.00 C ATOM 399 O GLY A 69 10.987 12.527 -7.320 1.00 0.00 O ATOM 0 H GLY A 69 10.903 9.019 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.279 10.574 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.243 11.800 -9.760 1.00 0.00 H new ATOM 403 N ALA A 70 10.215 10.423 -6.943 1.00 0.00 N ATOM 404 CA ALA A 70 9.633 10.699 -5.620 1.00 0.00 C ATOM 405 C ALA A 70 9.679 9.426 -4.739 1.00 0.00 C ATOM 406 O ALA A 70 9.443 8.325 -5.254 1.00 0.00 O ATOM 407 CB ALA A 70 8.182 11.196 -5.771 1.00 0.00 C ATOM 0 H ALA A 70 10.126 9.449 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 70 10.219 11.479 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.762 11.397 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.171 12.111 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.586 10.432 -6.271 1.00 0.00 H new ATOM 413 N PRO A 71 10.030 9.554 -3.411 1.00 0.00 N ATOM 414 CA PRO A 71 9.963 8.427 -2.446 1.00 0.00 C ATOM 415 C PRO A 71 8.497 8.001 -2.196 1.00 0.00 C ATOM 416 O PRO A 71 7.710 8.751 -1.606 1.00 0.00 O ATOM 417 CB PRO A 71 10.627 9.001 -1.160 1.00 0.00 C ATOM 418 CG PRO A 71 10.475 10.486 -1.287 1.00 0.00 C ATOM 419 CD PRO A 71 10.545 10.789 -2.767 1.00 0.00 C ATOM 0 HA PRO A 71 10.465 7.528 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.137 8.628 -0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.676 8.714 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.526 10.818 -0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.264 11.006 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.939 11.657 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.565 11.008 -3.082 1.00 0.00 H new ATOM 427 N GLY A 72 8.145 6.803 -2.678 1.00 0.00 N ATOM 428 CA GLY A 72 6.792 6.273 -2.565 1.00 0.00 C ATOM 429 C GLY A 72 6.565 5.125 -3.529 1.00 0.00 C ATOM 430 O GLY A 72 7.444 4.806 -4.340 1.00 0.00 O ATOM 0 H GLY A 72 8.794 6.178 -3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.617 5.933 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.071 7.066 -2.765 1.00 0.00 H new ATOM 434 N VAL A 73 5.367 4.525 -3.473 1.00 0.00 N ATOM 435 CA VAL A 73 5.024 3.359 -4.299 1.00 0.00 C ATOM 436 C VAL A 73 3.505 3.281 -4.517 1.00 0.00 C ATOM 437 O VAL A 73 2.718 3.578 -3.616 1.00 0.00 O ATOM 438 CB VAL A 73 5.557 2.014 -3.662 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.957 1.751 -2.257 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.326 0.812 -4.614 1.00 0.00 C ATOM 0 H VAL A 73 4.613 4.832 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 73 5.514 3.486 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 73 6.632 2.130 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.353 0.816 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.223 2.570 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.872 1.682 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.703 -0.099 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.259 0.704 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.853 0.985 -5.552 1.00 0.00 H new ATOM 450 N ARG A 74 3.111 2.940 -5.749 1.00 0.00 N ATOM 451 CA ARG A 74 1.745 2.533 -6.079 1.00 0.00 C ATOM 452 C ARG A 74 1.753 1.019 -6.313 1.00 0.00 C ATOM 453 O ARG A 74 2.599 0.513 -7.058 1.00 0.00 O ATOM 454 CB ARG A 74 1.243 3.265 -7.342 1.00 0.00 C ATOM 455 CG ARG A 74 -0.245 3.028 -7.676 1.00 0.00 C ATOM 456 CD ARG A 74 -0.650 3.655 -9.025 1.00 0.00 C ATOM 457 NE ARG A 74 -0.301 5.095 -9.113 1.00 0.00 N ATOM 458 CZ ARG A 74 -1.126 6.076 -9.507 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.378 5.820 -9.837 1.00 0.00 N ATOM 460 NH2 ARG A 74 -0.689 7.328 -9.571 1.00 0.00 N ATOM 0 H ARG A 74 3.740 2.940 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 74 1.072 2.792 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.407 4.335 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.847 2.949 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.443 1.956 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.864 3.447 -6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.158 3.116 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.724 3.536 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 74 0.648 5.361 -8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.731 4.864 -9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.992 6.578 -10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.276 7.545 -9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.318 8.073 -9.871 1.00 0.00 H new ATOM 474 N PHE A 75 0.818 0.302 -5.695 1.00 0.00 N ATOM 475 CA PHE A 75 0.783 -1.169 -5.752 1.00 0.00 C ATOM 476 C PHE A 75 -0.659 -1.680 -5.776 1.00 0.00 C ATOM 477 O PHE A 75 -1.573 -1.017 -5.281 1.00 0.00 O ATOM 478 CB PHE A 75 1.586 -1.794 -4.574 1.00 0.00 C ATOM 479 CG PHE A 75 1.129 -1.398 -3.164 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.500 -0.166 -2.608 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.367 -2.264 -2.373 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.117 0.185 -1.327 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.010 -1.910 -1.087 1.00 0.00 C ATOM 484 CZ PHE A 75 0.369 -0.688 -0.566 1.00 0.00 C ATOM 0 H PHE A 75 0.066 0.714 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 75 1.262 -1.482 -6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.534 -2.879 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.634 -1.516 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.096 0.521 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.068 -3.223 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.404 1.144 -0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.601 -2.590 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.079 -0.416 0.438 1.00 0.00 H new ATOM 494 N ARG A 76 -0.831 -2.879 -6.337 1.00 0.00 N ATOM 495 CA ARG A 76 -2.127 -3.525 -6.506 1.00 0.00 C ATOM 496 C ARG A 76 -2.370 -4.412 -5.285 1.00 0.00 C ATOM 497 O ARG A 76 -1.911 -5.552 -5.216 1.00 0.00 O ATOM 498 CB ARG A 76 -2.133 -4.332 -7.829 1.00 0.00 C ATOM 499 CG ARG A 76 -3.469 -5.003 -8.193 1.00 0.00 C ATOM 500 CD ARG A 76 -3.381 -5.756 -9.531 1.00 0.00 C ATOM 501 NE ARG A 76 -4.595 -6.540 -9.820 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.617 -7.846 -10.123 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.495 -8.561 -10.155 1.00 0.00 N ATOM 504 NH2 ARG A 76 -5.766 -8.431 -10.399 1.00 0.00 N ATOM 0 H ARG A 76 -0.054 -3.437 -6.693 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.933 -2.795 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.849 -3.664 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.365 -5.103 -7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.755 -5.697 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.252 -4.247 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.215 -5.041 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.518 -6.422 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.489 -6.050 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.601 -8.116 -9.947 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.529 -9.554 -10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.631 -7.890 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.790 -9.424 -10.630 1.00 0.00 H new ATOM 518 N LEU A 77 -3.020 -3.831 -4.283 1.00 0.00 N ATOM 519 CA LEU A 77 -3.308 -4.508 -3.027 1.00 0.00 C ATOM 520 C LEU A 77 -4.511 -5.451 -3.184 1.00 0.00 C ATOM 521 O LEU A 77 -5.614 -5.019 -3.535 1.00 0.00 O ATOM 522 CB LEU A 77 -3.581 -3.476 -1.905 1.00 0.00 C ATOM 523 CG LEU A 77 -3.710 -4.079 -0.478 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.432 -4.831 -0.084 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.047 -3.003 0.560 1.00 0.00 C ATOM 0 H LEU A 77 -3.363 -2.871 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.436 -5.101 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.775 -2.742 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.500 -2.939 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.536 -4.790 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.547 -5.244 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.254 -5.641 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.586 -4.144 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.129 -3.461 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.258 -2.251 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.994 -2.530 0.300 1.00 0.00 H new ATOM 537 N GLU A 78 -4.262 -6.734 -2.932 1.00 0.00 N ATOM 538 CA GLU A 78 -5.297 -7.763 -2.870 1.00 0.00 C ATOM 539 C GLU A 78 -5.743 -7.882 -1.407 1.00 0.00 C ATOM 540 O GLU A 78 -4.992 -8.392 -0.572 1.00 0.00 O ATOM 541 CB GLU A 78 -4.771 -9.108 -3.430 1.00 0.00 C ATOM 542 CG GLU A 78 -4.334 -9.014 -4.905 1.00 0.00 C ATOM 543 CD GLU A 78 -4.080 -10.379 -5.553 1.00 0.00 C ATOM 544 OE1 GLU A 78 -5.064 -11.102 -5.819 1.00 0.00 O ATOM 545 OE2 GLU A 78 -2.913 -10.744 -5.809 1.00 0.00 O ATOM 0 H GLU A 78 -3.322 -7.093 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.151 -7.491 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.927 -9.442 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.550 -9.865 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.103 -8.489 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.426 -8.415 -4.970 1.00 0.00 H new ATOM 552 N ASP A 79 -6.937 -7.341 -1.118 1.00 0.00 N ATOM 553 CA ASP A 79 -7.512 -7.242 0.249 1.00 0.00 C ATOM 554 C ASP A 79 -7.663 -8.644 0.898 1.00 0.00 C ATOM 555 O ASP A 79 -7.980 -9.629 0.222 1.00 0.00 O ATOM 556 CB ASP A 79 -8.893 -6.502 0.162 1.00 0.00 C ATOM 557 CG ASP A 79 -9.517 -5.977 1.483 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.086 -6.359 2.587 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.469 -5.161 1.402 1.00 0.00 O ATOM 0 H ASP A 79 -7.548 -6.950 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.836 -6.672 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.777 -5.655 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.609 -7.182 -0.300 1.00 0.00 H new ATOM 659 N THR A 86 -9.189 -5.976 -5.614 1.00 0.00 N ATOM 660 CA THR A 86 -7.889 -5.510 -6.087 1.00 0.00 C ATOM 661 C THR A 86 -7.936 -3.977 -6.194 1.00 0.00 C ATOM 662 O THR A 86 -8.471 -3.414 -7.158 1.00 0.00 O ATOM 663 CB THR A 86 -7.518 -6.180 -7.456 1.00 0.00 C ATOM 664 OG1 THR A 86 -8.636 -6.104 -8.359 1.00 0.00 O ATOM 665 CG2 THR A 86 -7.110 -7.655 -7.279 1.00 0.00 C ATOM 0 HA THR A 86 -7.108 -5.796 -5.382 1.00 0.00 H new ATOM 0 HB THR A 86 -6.666 -5.637 -7.866 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.472 -6.176 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.861 -8.083 -8.250 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.242 -7.716 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.938 -8.211 -6.839 1.00 0.00 H new ATOM 673 N VAL A 87 -7.402 -3.330 -5.157 1.00 0.00 N ATOM 674 CA VAL A 87 -7.398 -1.876 -4.999 1.00 0.00 C ATOM 675 C VAL A 87 -5.970 -1.372 -5.212 1.00 0.00 C ATOM 676 O VAL A 87 -5.031 -1.952 -4.674 1.00 0.00 O ATOM 677 CB VAL A 87 -7.896 -1.465 -3.555 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.954 0.080 -3.384 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.259 -2.131 -3.222 1.00 0.00 C ATOM 0 H VAL A 87 -6.948 -3.816 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.074 -1.432 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.164 -1.836 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.301 0.322 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.960 0.500 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.642 0.502 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.577 -1.830 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.006 -1.815 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.153 -3.215 -3.258 1.00 0.00 H new ATOM 689 N TRP A 88 -5.807 -0.292 -5.971 1.00 0.00 N ATOM 690 CA TRP A 88 -4.507 0.351 -6.157 1.00 0.00 C ATOM 691 C TRP A 88 -4.313 1.339 -5.019 1.00 0.00 C ATOM 692 O TRP A 88 -5.219 2.107 -4.713 1.00 0.00 O ATOM 693 CB TRP A 88 -4.443 1.062 -7.521 1.00 0.00 C ATOM 694 CG TRP A 88 -4.515 0.106 -8.688 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.634 -0.312 -9.350 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.412 -0.557 -9.308 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.286 -1.175 -10.355 1.00 0.00 N ATOM 698 CE2 TRP A 88 -3.930 -1.343 -10.347 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.030 -0.545 -9.085 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.115 -2.123 -11.161 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.224 -1.322 -9.889 1.00 0.00 C ATOM 702 CH2 TRP A 88 -1.767 -2.095 -10.923 1.00 0.00 C ATOM 0 H TRP A 88 -6.569 0.162 -6.474 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.710 -0.393 -6.146 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.264 1.776 -7.592 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.517 1.634 -7.583 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.643 -0.007 -9.116 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.934 -1.620 -11.004 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.604 0.061 -8.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.531 -2.729 -11.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.158 -1.335 -9.719 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.108 -2.682 -11.546 1.00 0.00 H new ATOM 713 N VAL A 89 -3.157 1.281 -4.368 1.00 0.00 N ATOM 714 CA VAL A 89 -2.846 2.110 -3.212 1.00 0.00 C ATOM 715 C VAL A 89 -1.690 3.040 -3.573 1.00 0.00 C ATOM 716 O VAL A 89 -0.584 2.582 -3.874 1.00 0.00 O ATOM 717 CB VAL A 89 -2.486 1.224 -1.968 1.00 0.00 C ATOM 718 CG1 VAL A 89 -2.187 2.092 -0.726 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.609 0.193 -1.683 1.00 0.00 C ATOM 0 H VAL A 89 -2.401 0.649 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.720 2.704 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.576 0.671 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.941 1.447 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.345 2.751 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.064 2.691 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.338 -0.410 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.543 0.718 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.737 -0.455 -2.550 1.00 0.00 H new ATOM 729 N LEU A 90 -1.979 4.349 -3.559 1.00 0.00 N ATOM 730 CA LEU A 90 -0.999 5.398 -3.826 1.00 0.00 C ATOM 731 C LEU A 90 -0.382 5.837 -2.485 1.00 0.00 C ATOM 732 O LEU A 90 -0.944 6.667 -1.758 1.00 0.00 O ATOM 733 CB LEU A 90 -1.674 6.597 -4.554 1.00 0.00 C ATOM 734 CG LEU A 90 -0.712 7.691 -5.107 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.251 7.112 -6.162 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.502 8.895 -5.666 1.00 0.00 C ATOM 0 H LEU A 90 -2.913 4.708 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.213 5.022 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.264 6.207 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.371 7.070 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.106 8.050 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.908 7.901 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.850 6.320 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.323 6.704 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.805 9.643 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.151 8.560 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.108 9.333 -4.873 1.00 0.00 H new ATOM 748 N TYR A 91 0.759 5.219 -2.161 1.00 0.00 N ATOM 749 CA TYR A 91 1.513 5.487 -0.933 1.00 0.00 C ATOM 750 C TYR A 91 2.572 6.575 -1.187 1.00 0.00 C ATOM 751 O TYR A 91 3.504 6.372 -1.973 1.00 0.00 O ATOM 752 CB TYR A 91 2.183 4.184 -0.396 1.00 0.00 C ATOM 753 CG TYR A 91 3.176 4.418 0.761 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.749 4.946 1.984 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.539 4.138 0.617 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.643 5.171 3.016 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.427 4.354 1.649 1.00 0.00 C ATOM 758 CZ TYR A 91 4.978 4.878 2.840 1.00 0.00 C ATOM 759 OH TYR A 91 5.871 5.096 3.870 1.00 0.00 O ATOM 0 H TYR A 91 1.190 4.509 -2.753 1.00 0.00 H new ATOM 0 HA TYR A 91 0.818 5.846 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.404 3.500 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.706 3.693 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.705 5.182 2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.903 3.745 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.296 5.575 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.472 4.113 1.523 1.00 0.00 H new ATOM 0 HH TYR A 91 6.774 4.851 3.577 1.00 0.00 H new ATOM 769 N LYS A 92 2.388 7.728 -0.534 1.00 0.00 N ATOM 770 CA LYS A 92 3.405 8.782 -0.431 1.00 0.00 C ATOM 771 C LYS A 92 4.229 8.532 0.842 1.00 0.00 C ATOM 772 O LYS A 92 3.660 8.421 1.934 1.00 0.00 O ATOM 773 CB LYS A 92 2.734 10.197 -0.390 1.00 0.00 C ATOM 774 CG LYS A 92 2.463 10.856 -1.768 1.00 0.00 C ATOM 775 CD LYS A 92 1.631 9.982 -2.730 1.00 0.00 C ATOM 776 CE LYS A 92 1.333 10.707 -4.053 1.00 0.00 C ATOM 777 NZ LYS A 92 2.563 11.237 -4.701 1.00 0.00 N ATOM 0 H LYS A 92 1.517 7.959 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 92 4.056 8.757 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.788 10.114 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.371 10.864 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.943 11.801 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.417 11.091 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.169 9.057 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.693 9.705 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.834 10.020 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.642 11.529 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.527 11.045 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.624 12.263 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.399 10.774 -4.291 1.00 0.00 H new ATOM 791 N GLY A 93 5.549 8.398 0.688 1.00 0.00 N ATOM 792 CA GLY A 93 6.451 8.234 1.833 1.00 0.00 C ATOM 793 C GLY A 93 7.598 7.278 1.543 1.00 0.00 C ATOM 794 O GLY A 93 7.578 6.570 0.534 1.00 0.00 O ATOM 0 H GLY A 93 6.018 8.400 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.856 9.206 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.884 7.866 2.688 1.00 0.00 H new ATOM 798 N ALA A 94 8.580 7.235 2.457 1.00 0.00 N ATOM 799 CA ALA A 94 9.749 6.355 2.341 1.00 0.00 C ATOM 800 C ALA A 94 9.320 4.877 2.451 1.00 0.00 C ATOM 801 O ALA A 94 8.722 4.471 3.451 1.00 0.00 O ATOM 802 CB ALA A 94 10.779 6.717 3.422 1.00 0.00 C ATOM 0 H ALA A 94 8.584 7.812 3.298 1.00 0.00 H new ATOM 0 HA ALA A 94 10.211 6.495 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.645 6.062 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.093 7.753 3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.331 6.594 4.408 1.00 0.00 H new ATOM 808 N VAL A 95 9.603 4.109 1.394 1.00 0.00 N ATOM 809 CA VAL A 95 9.231 2.690 1.280 1.00 0.00 C ATOM 810 C VAL A 95 10.262 1.804 2.023 1.00 0.00 C ATOM 811 O VAL A 95 11.461 1.888 1.722 1.00 0.00 O ATOM 812 CB VAL A 95 9.137 2.283 -0.237 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.742 0.796 -0.419 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.158 3.224 -0.979 1.00 0.00 C ATOM 0 H VAL A 95 10.105 4.459 0.578 1.00 0.00 H new ATOM 0 HA VAL A 95 8.256 2.538 1.742 1.00 0.00 H new ATOM 0 HB VAL A 95 10.128 2.394 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.689 0.561 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.489 0.160 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.769 0.619 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.100 2.934 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.169 3.150 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.515 4.251 -0.906 1.00 0.00 H new ATOM 824 N PRO A 96 9.819 0.942 2.997 1.00 0.00 N ATOM 825 CA PRO A 96 10.733 0.062 3.765 1.00 0.00 C ATOM 826 C PRO A 96 11.218 -1.157 2.936 1.00 0.00 C ATOM 827 O PRO A 96 10.543 -1.576 1.984 1.00 0.00 O ATOM 828 CB PRO A 96 9.864 -0.370 4.971 1.00 0.00 C ATOM 829 CG PRO A 96 8.462 -0.382 4.432 1.00 0.00 C ATOM 830 CD PRO A 96 8.398 0.758 3.432 1.00 0.00 C ATOM 0 HA PRO A 96 11.655 0.564 4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.157 -1.353 5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.964 0.326 5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.234 -1.335 3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.734 -0.243 5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.752 0.513 2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.000 1.665 3.886 1.00 0.00 H new ATOM 838 N ASP A 97 12.394 -1.715 3.311 1.00 0.00 N ATOM 839 CA ASP A 97 13.012 -2.894 2.626 1.00 0.00 C ATOM 840 C ASP A 97 12.156 -4.166 2.779 1.00 0.00 C ATOM 841 O ASP A 97 12.275 -5.106 1.983 1.00 0.00 O ATOM 842 CB ASP A 97 14.444 -3.179 3.166 1.00 0.00 C ATOM 843 CG ASP A 97 15.445 -2.053 2.853 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.563 -1.102 3.657 1.00 0.00 O ATOM 845 OD2 ASP A 97 16.115 -2.103 1.798 1.00 0.00 O ATOM 0 H ASP A 97 12.946 -1.367 4.095 1.00 0.00 H new ATOM 0 HA ASP A 97 13.069 -2.635 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.396 -3.324 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.809 -4.111 2.735 1.00 0.00 H new ATOM 850 N THR A 98 11.310 -4.177 3.819 1.00 0.00 N ATOM 851 CA THR A 98 10.377 -5.278 4.094 1.00 0.00 C ATOM 852 C THR A 98 9.186 -5.265 3.102 1.00 0.00 C ATOM 853 O THR A 98 8.559 -6.301 2.869 1.00 0.00 O ATOM 854 CB THR A 98 9.866 -5.233 5.575 1.00 0.00 C ATOM 855 OG1 THR A 98 8.924 -6.290 5.811 1.00 0.00 O ATOM 856 CG2 THR A 98 9.242 -3.877 5.949 1.00 0.00 C ATOM 0 H THR A 98 11.254 -3.417 4.497 1.00 0.00 H new ATOM 0 HA THR A 98 10.922 -6.211 3.954 1.00 0.00 H new ATOM 0 HB THR A 98 10.739 -5.371 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.080 -5.910 6.134 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.906 -3.905 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.985 -3.089 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.392 -3.676 5.297 1.00 0.00 H new ATOM 864 N PHE A 99 8.877 -4.081 2.526 1.00 0.00 N ATOM 865 CA PHE A 99 7.874 -3.960 1.453 1.00 0.00 C ATOM 866 C PHE A 99 8.463 -4.535 0.154 1.00 0.00 C ATOM 867 O PHE A 99 9.378 -3.952 -0.438 1.00 0.00 O ATOM 868 CB PHE A 99 7.423 -2.487 1.247 1.00 0.00 C ATOM 869 CG PHE A 99 6.371 -2.317 0.146 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.015 -2.467 0.425 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.738 -2.026 -1.169 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.072 -2.339 -0.570 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.794 -1.901 -2.160 1.00 0.00 C ATOM 874 CZ PHE A 99 4.462 -2.052 -1.860 1.00 0.00 C ATOM 0 H PHE A 99 9.311 -3.196 2.790 1.00 0.00 H new ATOM 0 HA PHE A 99 6.986 -4.524 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.021 -2.104 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.294 -1.880 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.699 -2.686 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.782 -1.897 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.024 -2.464 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.099 -1.684 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.719 -1.946 -2.637 1.00 0.00 H new ATOM 884 N LYS A 100 7.930 -5.680 -0.262 1.00 0.00 N ATOM 885 CA LYS A 100 8.351 -6.389 -1.479 1.00 0.00 C ATOM 886 C LYS A 100 7.112 -6.993 -2.194 1.00 0.00 C ATOM 887 O LYS A 100 6.053 -7.132 -1.571 1.00 0.00 O ATOM 888 CB LYS A 100 9.408 -7.472 -1.097 1.00 0.00 C ATOM 889 CG LYS A 100 8.912 -8.553 -0.114 1.00 0.00 C ATOM 890 CD LYS A 100 10.010 -9.576 0.251 1.00 0.00 C ATOM 891 CE LYS A 100 9.486 -10.714 1.139 1.00 0.00 C ATOM 892 NZ LYS A 100 10.551 -11.696 1.444 1.00 0.00 N ATOM 0 H LYS A 100 7.180 -6.154 0.242 1.00 0.00 H new ATOM 0 HA LYS A 100 8.818 -5.699 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.750 -7.962 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.273 -6.974 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.552 -8.073 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.064 -9.078 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.428 -9.997 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.822 -9.063 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.093 -10.301 2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.658 -11.216 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.165 -12.452 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.908 -12.107 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.329 -11.220 1.943 1.00 0.00 H new ATOM 906 N PRO A 101 7.200 -7.324 -3.528 1.00 0.00 N ATOM 907 CA PRO A 101 6.092 -7.981 -4.266 1.00 0.00 C ATOM 908 C PRO A 101 5.782 -9.385 -3.695 1.00 0.00 C ATOM 909 O PRO A 101 6.509 -10.349 -3.951 1.00 0.00 O ATOM 910 CB PRO A 101 6.608 -8.026 -5.736 1.00 0.00 C ATOM 911 CG PRO A 101 8.101 -7.948 -5.616 1.00 0.00 C ATOM 912 CD PRO A 101 8.360 -7.052 -4.429 1.00 0.00 C ATOM 0 HA PRO A 101 5.145 -7.448 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.298 -8.943 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.213 -7.195 -6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.535 -8.936 -5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.547 -7.539 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.308 -7.289 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.405 -6.003 -4.720 1.00 0.00 H new ATOM 920 N GLY A 102 4.723 -9.468 -2.867 1.00 0.00 N ATOM 921 CA GLY A 102 4.336 -10.720 -2.206 1.00 0.00 C ATOM 922 C GLY A 102 4.242 -10.596 -0.690 1.00 0.00 C ATOM 923 O GLY A 102 3.733 -11.513 -0.031 1.00 0.00 O ATOM 0 H GLY A 102 4.120 -8.676 -2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.373 -11.047 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.061 -11.494 -2.456 1.00 0.00 H new ATOM 927 N VAL A 103 4.736 -9.472 -0.124 1.00 0.00 N ATOM 928 CA VAL A 103 4.642 -9.209 1.330 1.00 0.00 C ATOM 929 C VAL A 103 3.186 -8.873 1.709 1.00 0.00 C ATOM 930 O VAL A 103 2.442 -8.302 0.908 1.00 0.00 O ATOM 931 CB VAL A 103 5.607 -8.048 1.817 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.082 -6.642 1.436 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.884 -8.152 3.341 1.00 0.00 C ATOM 0 H VAL A 103 5.203 -8.734 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 103 4.963 -10.119 1.836 1.00 0.00 H new ATOM 0 HB VAL A 103 6.552 -8.182 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.780 -5.884 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.990 -6.569 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.106 -6.481 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.548 -7.343 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.944 -8.075 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.354 -9.110 3.561 1.00 0.00 H new ATOM 943 N GLU A 104 2.773 -9.261 2.916 1.00 0.00 N ATOM 944 CA GLU A 104 1.493 -8.837 3.484 1.00 0.00 C ATOM 945 C GLU A 104 1.684 -7.433 4.078 1.00 0.00 C ATOM 946 O GLU A 104 2.723 -7.179 4.695 1.00 0.00 O ATOM 947 CB GLU A 104 1.045 -9.853 4.559 1.00 0.00 C ATOM 948 CG GLU A 104 1.015 -11.316 4.077 1.00 0.00 C ATOM 949 CD GLU A 104 0.516 -12.296 5.156 1.00 0.00 C ATOM 950 OE1 GLU A 104 1.300 -12.659 6.055 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.668 -12.688 5.120 1.00 0.00 O ATOM 0 H GLU A 104 3.314 -9.875 3.525 1.00 0.00 H new ATOM 0 HA GLU A 104 0.714 -8.800 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.716 -9.779 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.050 -9.578 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.371 -11.391 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.017 -11.610 3.763 1.00 0.00 H new ATOM 958 N VAL A 105 0.729 -6.508 3.850 1.00 0.00 N ATOM 959 CA VAL A 105 0.783 -5.135 4.415 1.00 0.00 C ATOM 960 C VAL A 105 -0.524 -4.764 5.132 1.00 0.00 C ATOM 961 O VAL A 105 -1.543 -5.458 5.043 1.00 0.00 O ATOM 962 CB VAL A 105 1.092 -4.016 3.339 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.523 -4.132 2.782 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.040 -3.996 2.209 1.00 0.00 C ATOM 0 H VAL A 105 -0.095 -6.684 3.276 1.00 0.00 H new ATOM 0 HA VAL A 105 1.610 -5.164 5.124 1.00 0.00 H new ATOM 0 HB VAL A 105 1.026 -3.058 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.692 -3.345 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.240 -4.028 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.651 -5.105 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.290 -3.214 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.031 -4.962 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.945 -3.799 2.632 1.00 0.00 H new ATOM 974 N ILE A 106 -0.427 -3.633 5.835 1.00 0.00 N ATOM 975 CA ILE A 106 -1.512 -2.963 6.549 1.00 0.00 C ATOM 976 C ILE A 106 -1.365 -1.464 6.229 1.00 0.00 C ATOM 977 O ILE A 106 -0.409 -0.816 6.684 1.00 0.00 O ATOM 978 CB ILE A 106 -1.417 -3.192 8.109 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.393 -4.722 8.453 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.563 -2.453 8.850 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.144 -5.053 9.917 1.00 0.00 C ATOM 0 H ILE A 106 0.459 -3.135 5.925 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.477 -3.361 6.236 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.476 -2.766 8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.346 -5.160 8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.620 -5.201 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.475 -2.627 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.496 -1.384 8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.524 -2.829 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.146 -6.135 10.051 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.177 -4.652 10.221 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.930 -4.610 10.529 1.00 0.00 H new ATOM 993 N ILE A 107 -2.276 -0.939 5.404 1.00 0.00 N ATOM 994 CA ILE A 107 -2.266 0.468 4.953 1.00 0.00 C ATOM 995 C ILE A 107 -3.243 1.290 5.814 1.00 0.00 C ATOM 996 O ILE A 107 -4.228 0.750 6.334 1.00 0.00 O ATOM 997 CB ILE A 107 -2.672 0.587 3.430 1.00 0.00 C ATOM 998 CG1 ILE A 107 -4.132 0.074 3.197 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.666 -0.179 2.532 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.666 0.225 1.783 1.00 0.00 C ATOM 0 H ILE A 107 -3.052 -1.480 5.023 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.253 0.855 5.065 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.640 1.641 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.175 -0.980 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.797 0.607 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.965 -0.084 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.668 0.240 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.657 -1.232 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.684 -0.162 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.665 1.279 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -4.033 -0.333 1.093 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.932 2.580 6.000 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.794 3.534 6.712 1.00 0.00 C ATOM 1014 C GLU A 108 -3.850 4.833 5.897 1.00 0.00 C ATOM 1015 O GLU A 108 -2.834 5.247 5.321 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.259 3.813 8.141 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.028 2.562 9.007 1.00 0.00 C ATOM 1018 CD GLU A 108 -2.524 2.887 10.421 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -1.355 3.316 10.564 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -3.282 2.711 11.394 1.00 0.00 O ATOM 0 H GLU A 108 -2.066 2.995 5.657 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.794 3.113 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.319 4.359 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.964 4.467 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.960 2.002 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.305 1.914 8.511 1.00 0.00 H new ATOM 1027 N GLY A 109 -5.042 5.442 5.820 1.00 0.00 N ATOM 1028 CA GLY A 109 -5.222 6.719 5.130 1.00 0.00 C ATOM 1029 C GLY A 109 -6.687 7.000 4.838 1.00 0.00 C ATOM 1030 O GLY A 109 -7.498 7.063 5.767 1.00 0.00 O ATOM 0 H GLY A 109 -5.897 5.066 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.812 7.523 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.660 6.710 4.196 1.00 0.00 H new ATOM 1034 N GLY A 110 -7.026 7.166 3.552 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.405 7.394 3.134 1.00 0.00 C ATOM 1036 C GLY A 110 -8.568 7.339 1.628 1.00 0.00 C ATOM 1037 O GLY A 110 -7.580 7.311 0.883 1.00 0.00 O ATOM 0 H GLY A 110 -6.355 7.145 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.050 6.645 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.736 8.367 3.497 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.825 7.305 1.186 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.192 7.296 -0.232 1.00 0.00 C ATOM 1043 C LEU A 111 -11.039 8.545 -0.524 1.00 0.00 C ATOM 1044 O LEU A 111 -12.230 8.584 -0.194 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.966 5.987 -0.560 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.281 5.723 -2.063 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.985 5.532 -2.880 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.244 4.522 -2.236 1.00 0.00 C ATOM 0 H LEU A 111 -10.630 7.283 1.812 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.304 7.321 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.388 5.145 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.908 6.001 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.789 6.605 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.237 5.350 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.373 6.431 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.429 4.681 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.443 4.365 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.787 3.626 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.180 4.729 -1.718 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.406 9.570 -1.115 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.059 10.862 -1.385 1.00 0.00 C ATOM 1062 C ALA A 112 -11.875 10.778 -2.692 1.00 0.00 C ATOM 1063 O ALA A 112 -11.350 10.277 -3.689 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.010 11.987 -1.470 1.00 0.00 C ATOM 0 H ALA A 112 -9.433 9.528 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.739 11.092 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.509 12.935 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.470 12.053 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.308 11.770 -2.275 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.184 11.217 -2.689 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.007 11.368 -3.924 1.00 0.00 C ATOM 1072 C PRO A 113 -13.266 12.150 -5.035 1.00 0.00 C ATOM 1073 O PRO A 113 -13.195 13.383 -5.005 1.00 0.00 O ATOM 1074 CB PRO A 113 -15.263 12.128 -3.419 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.393 11.691 -1.992 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.977 11.561 -1.475 1.00 0.00 C ATOM 0 HA PRO A 113 -14.244 10.412 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -15.136 13.208 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.148 11.868 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.958 12.419 -1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.925 10.743 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.630 12.489 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.899 10.785 -0.713 1.00 0.00 H new ATOM 1084 N GLY A 114 -12.664 11.391 -5.957 1.00 0.00 N ATOM 1085 CA GLY A 114 -11.796 11.929 -7.004 1.00 0.00 C ATOM 1086 C GLY A 114 -10.703 10.929 -7.327 1.00 0.00 C ATOM 1087 O GLY A 114 -10.503 10.551 -8.484 1.00 0.00 O ATOM 0 H GLY A 114 -12.768 10.377 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.380 12.145 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.355 12.870 -6.676 1.00 0.00 H new ATOM 1091 N GLU A 115 -10.009 10.483 -6.268 1.00 0.00 N ATOM 1092 CA GLU A 115 -9.002 9.420 -6.346 1.00 0.00 C ATOM 1093 C GLU A 115 -9.685 8.043 -6.247 1.00 0.00 C ATOM 1094 O GLU A 115 -10.351 7.744 -5.253 1.00 0.00 O ATOM 1095 CB GLU A 115 -7.927 9.564 -5.218 1.00 0.00 C ATOM 1096 CG GLU A 115 -6.942 10.744 -5.382 1.00 0.00 C ATOM 1097 CD GLU A 115 -7.553 12.128 -5.084 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.513 12.572 -3.919 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.070 12.787 -6.013 1.00 0.00 O ATOM 0 H GLU A 115 -10.134 10.855 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.494 9.508 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.441 9.673 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.353 8.639 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.091 10.586 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.557 10.742 -6.402 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.542 7.235 -7.311 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.913 5.801 -7.301 1.00 0.00 C ATOM 1108 C ASP A 116 -8.881 5.003 -6.473 1.00 0.00 C ATOM 1109 O ASP A 116 -9.198 3.970 -5.875 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.999 5.254 -8.755 1.00 0.00 C ATOM 1111 CG ASP A 116 -10.376 3.762 -8.837 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -11.581 3.434 -8.744 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -9.473 2.910 -8.992 1.00 0.00 O ATOM 0 H ASP A 116 -9.166 7.553 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.894 5.687 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.735 5.836 -9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.038 5.404 -9.247 1.00 0.00 H new ATOM 1118 N THR A 117 -7.657 5.554 -6.421 1.00 0.00 N ATOM 1119 CA THR A 117 -6.518 4.954 -5.712 1.00 0.00 C ATOM 1120 C THR A 117 -6.548 5.386 -4.230 1.00 0.00 C ATOM 1121 O THR A 117 -6.909 6.528 -3.914 1.00 0.00 O ATOM 1122 CB THR A 117 -5.153 5.338 -6.385 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.060 4.674 -5.730 1.00 0.00 O ATOM 1124 CG2 THR A 117 -4.901 6.856 -6.380 1.00 0.00 C ATOM 0 H THR A 117 -7.430 6.438 -6.876 1.00 0.00 H new ATOM 0 HA THR A 117 -6.606 3.869 -5.769 1.00 0.00 H new ATOM 0 HB THR A 117 -5.217 5.011 -7.423 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.391 3.874 -5.271 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.944 7.068 -6.857 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.698 7.359 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.882 7.218 -5.352 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.202 4.451 -3.335 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.227 4.675 -1.886 1.00 0.00 C ATOM 1134 C PHE A 118 -5.011 5.519 -1.471 1.00 0.00 C ATOM 1135 O PHE A 118 -3.866 5.092 -1.639 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.221 3.323 -1.124 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.365 3.471 0.394 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.251 3.660 1.217 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.620 3.428 0.989 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.392 3.798 2.582 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.754 3.564 2.350 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.645 3.749 3.147 1.00 0.00 C ATOM 0 H PHE A 118 -5.896 3.514 -3.598 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.142 5.210 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.034 2.701 -1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.292 2.797 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.265 3.699 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.498 3.286 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.522 3.944 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.736 3.526 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.760 3.856 4.216 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.278 6.703 -0.923 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.253 7.636 -0.439 1.00 0.00 C ATOM 1154 C LYS A 119 -3.703 7.137 0.913 1.00 0.00 C ATOM 1155 O LYS A 119 -4.339 7.345 1.957 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.909 9.038 -0.282 1.00 0.00 C ATOM 1157 CG LYS A 119 -5.744 9.487 -1.510 1.00 0.00 C ATOM 1158 CD LYS A 119 -6.701 10.657 -1.195 1.00 0.00 C ATOM 1159 CE LYS A 119 -5.977 11.964 -0.844 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.176 12.478 -1.985 1.00 0.00 N ATOM 0 H LYS A 119 -6.229 7.050 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.423 7.699 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.552 9.030 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.127 9.775 -0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.069 9.784 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.323 8.640 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.347 10.829 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.346 10.374 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.708 12.715 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.324 11.798 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.800 13.418 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.388 11.827 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.780 12.548 -2.829 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.556 6.432 0.885 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.933 5.861 2.094 1.00 0.00 C ATOM 1176 C ALA A 120 -0.976 6.875 2.739 1.00 0.00 C ATOM 1177 O ALA A 120 0.040 7.256 2.137 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.195 4.554 1.762 1.00 0.00 C ATOM 0 H ALA A 120 -2.037 6.243 0.027 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.723 5.632 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.743 4.151 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.902 3.830 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.416 4.753 1.026 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.334 7.328 3.958 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.493 8.224 4.773 1.00 0.00 C ATOM 1186 C ARG A 121 0.635 7.434 5.469 1.00 0.00 C ATOM 1187 O ARG A 121 1.748 7.940 5.629 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.351 8.987 5.829 1.00 0.00 C ATOM 1189 CG ARG A 121 -2.133 8.081 6.808 1.00 0.00 C ATOM 1190 CD ARG A 121 -2.856 8.856 7.924 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.908 9.525 8.827 1.00 0.00 N ATOM 1192 CZ ARG A 121 -2.171 9.919 10.083 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -3.376 9.733 10.617 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -1.213 10.471 10.805 1.00 0.00 N ATOM 0 H ARG A 121 -2.217 7.081 4.405 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.041 8.957 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.696 9.640 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.060 9.629 5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.866 7.502 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.443 7.369 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.520 9.598 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.481 8.171 8.496 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.970 9.705 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.113 9.286 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -3.563 10.037 11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.282 10.595 10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.404 10.773 11.760 1.00 0.00 H new ATOM 1208 N THR A 122 0.337 6.186 5.866 1.00 0.00 N ATOM 1209 CA THR A 122 1.280 5.306 6.583 1.00 0.00 C ATOM 1210 C THR A 122 1.175 3.871 6.024 1.00 0.00 C ATOM 1211 O THR A 122 0.088 3.429 5.619 1.00 0.00 O ATOM 1212 CB THR A 122 1.017 5.326 8.138 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.388 5.203 8.391 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.542 6.615 8.812 1.00 0.00 C ATOM 0 H THR A 122 -0.572 5.754 5.698 1.00 0.00 H new ATOM 0 HA THR A 122 2.292 5.677 6.423 1.00 0.00 H new ATOM 0 HB THR A 122 1.561 4.484 8.566 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.537 4.535 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.335 6.577 9.881 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.617 6.697 8.653 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.044 7.482 8.377 1.00 0.00 H new ATOM 1222 N LEU A 123 2.320 3.160 6.008 1.00 0.00 N ATOM 1223 CA LEU A 123 2.449 1.802 5.437 1.00 0.00 C ATOM 1224 C LEU A 123 3.279 0.924 6.381 1.00 0.00 C ATOM 1225 O LEU A 123 4.487 1.138 6.546 1.00 0.00 O ATOM 1226 CB LEU A 123 3.136 1.869 4.044 1.00 0.00 C ATOM 1227 CG LEU A 123 3.413 0.510 3.320 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.104 -0.184 2.905 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.366 0.705 2.117 1.00 0.00 C ATOM 0 H LEU A 123 3.193 3.516 6.396 1.00 0.00 H new ATOM 0 HA LEU A 123 1.455 1.371 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.515 2.481 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.086 2.390 4.160 1.00 0.00 H new ATOM 0 HG LEU A 123 3.913 -0.150 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.334 -1.125 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.500 -0.382 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.549 0.462 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.541 -0.255 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.915 1.395 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.314 1.113 2.466 1.00 0.00 H new ATOM 1241 N MET A 124 2.623 -0.065 6.986 1.00 0.00 N ATOM 1242 CA MET A 124 3.263 -1.040 7.874 1.00 0.00 C ATOM 1243 C MET A 124 3.008 -2.439 7.326 1.00 0.00 C ATOM 1244 O MET A 124 1.859 -2.856 7.205 1.00 0.00 O ATOM 1245 CB MET A 124 2.706 -0.929 9.321 1.00 0.00 C ATOM 1246 CG MET A 124 3.292 -1.954 10.311 1.00 0.00 C ATOM 1247 SD MET A 124 2.515 -1.890 11.938 1.00 0.00 S ATOM 1248 CE MET A 124 0.813 -2.317 11.551 1.00 0.00 C ATOM 0 H MET A 124 1.620 -0.215 6.873 1.00 0.00 H new ATOM 0 HA MET A 124 4.333 -0.838 7.912 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.904 0.075 9.697 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.623 -1.050 9.290 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.176 -2.956 9.899 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.362 -1.776 10.419 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.177 -1.444 11.695 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.747 -2.646 10.514 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.481 -3.120 12.209 1.00 0.00 H new ATOM 1258 N THR A 125 4.081 -3.157 7.005 1.00 0.00 N ATOM 1259 CA THR A 125 3.996 -4.543 6.549 1.00 0.00 C ATOM 1260 C THR A 125 3.623 -5.456 7.738 1.00 0.00 C ATOM 1261 O THR A 125 3.981 -5.171 8.886 1.00 0.00 O ATOM 1262 CB THR A 125 5.356 -4.988 5.916 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.413 -4.774 6.856 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.683 -4.215 4.620 1.00 0.00 C ATOM 0 H THR A 125 5.034 -2.795 7.053 1.00 0.00 H new ATOM 0 HA THR A 125 3.223 -4.625 5.785 1.00 0.00 H new ATOM 0 HB THR A 125 5.264 -6.045 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.036 -4.674 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.636 -4.561 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 125 4.897 -4.388 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.747 -3.149 4.838 1.00 0.00 H new ATOM 1272 N LYS A 126 2.867 -6.525 7.466 1.00 0.00 N ATOM 1273 CA LYS A 126 2.525 -7.538 8.479 1.00 0.00 C ATOM 1274 C LYS A 126 3.791 -8.313 8.883 1.00 0.00 C ATOM 1275 O LYS A 126 3.955 -8.695 10.040 1.00 0.00 O ATOM 1276 CB LYS A 126 1.430 -8.489 7.929 1.00 0.00 C ATOM 1277 CG LYS A 126 0.933 -9.620 8.879 1.00 0.00 C ATOM 1278 CD LYS A 126 0.033 -9.142 10.061 1.00 0.00 C ATOM 1279 CE LYS A 126 0.802 -8.505 11.229 1.00 0.00 C ATOM 1280 NZ LYS A 126 -0.086 -8.150 12.359 1.00 0.00 N ATOM 0 H LYS A 126 2.475 -6.715 6.544 1.00 0.00 H new ATOM 0 HA LYS A 126 2.127 -7.049 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.569 -7.885 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.810 -8.954 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.376 -10.349 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.801 -10.137 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.690 -8.420 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.534 -9.994 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.569 -9.197 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 126 1.315 -7.610 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.477 -7.724 13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.803 -7.469 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.557 -9.007 12.713 1.00 0.00 H new