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 -150:sc= 1.07 USER MOD Set 1.2: A 125 THR OG1 : rot -145:sc= 1.26 USER MOD Single : A 52 THR OG1 : rot 42:sc= 0.241 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -154:sc= -0.193 (180deg=-1.08) USER MOD Single : A 86 THR OG1 : rot -29:sc= 0.856 USER MOD Single : A 91 TYR OH : rot 177:sc= 1.08 USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= -1.53! (180deg=-3.29!) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00584) USER MOD Single : A 117 THR OG1 : rot 9:sc=-0.00826 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 124 MET CE :methyl -171:sc=-0.00966 (180deg=-0.104) USER MOD Single : A 126 LYS NZ :NH3+ 177:sc= 0.142 (180deg=0.14) USER MOD ----------------------------------------------------------------- ATOM 146 N THR A 52 -9.169 8.828 9.478 1.00 0.00 N ATOM 147 CA THR A 52 -8.292 7.932 8.745 1.00 0.00 C ATOM 148 C THR A 52 -8.872 6.508 8.686 1.00 0.00 C ATOM 149 O THR A 52 -9.392 5.995 9.686 1.00 0.00 O ATOM 150 CB THR A 52 -6.890 7.915 9.426 1.00 0.00 C ATOM 151 OG1 THR A 52 -6.449 9.261 9.657 1.00 0.00 O ATOM 152 CG2 THR A 52 -5.847 7.189 8.577 1.00 0.00 C ATOM 0 HA THR A 52 -8.200 8.294 7.721 1.00 0.00 H new ATOM 0 HB THR A 52 -6.992 7.378 10.369 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.200 9.800 9.984 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.886 7.202 9.091 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.160 6.157 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.750 7.689 7.613 1.00 0.00 H new ATOM 160 N VAL A 53 -8.766 5.880 7.508 1.00 0.00 N ATOM 161 CA VAL A 53 -9.210 4.505 7.275 1.00 0.00 C ATOM 162 C VAL A 53 -7.973 3.605 7.184 1.00 0.00 C ATOM 163 O VAL A 53 -7.010 3.948 6.498 1.00 0.00 O ATOM 164 CB VAL A 53 -10.052 4.372 5.955 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.561 2.916 5.758 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.226 5.379 5.940 1.00 0.00 C ATOM 0 H VAL A 53 -8.364 6.321 6.681 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.853 4.206 8.103 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.397 4.611 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.140 2.855 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.710 2.238 5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.190 2.633 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.792 5.265 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.880 5.188 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.835 6.395 6.003 1.00 0.00 H new ATOM 176 N ARG A 54 -8.002 2.471 7.887 1.00 0.00 N ATOM 177 CA ARG A 54 -6.923 1.478 7.860 1.00 0.00 C ATOM 178 C ARG A 54 -7.467 0.145 7.332 1.00 0.00 C ATOM 179 O ARG A 54 -8.465 -0.368 7.840 1.00 0.00 O ATOM 180 CB ARG A 54 -6.307 1.313 9.272 1.00 0.00 C ATOM 181 CG ARG A 54 -5.147 0.294 9.341 1.00 0.00 C ATOM 182 CD ARG A 54 -4.399 0.334 10.681 1.00 0.00 C ATOM 183 NE ARG A 54 -5.276 0.077 11.837 1.00 0.00 N ATOM 184 CZ ARG A 54 -5.376 0.851 12.928 1.00 0.00 C ATOM 185 NH1 ARG A 54 -4.734 2.018 12.999 1.00 0.00 N ATOM 186 NH2 ARG A 54 -6.127 0.452 13.940 1.00 0.00 N ATOM 0 H ARG A 54 -8.779 2.213 8.495 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.132 1.819 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.945 2.283 9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.090 1.003 9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.541 -0.709 9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.445 0.495 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.599 -0.406 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.928 1.310 10.799 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.857 -0.761 11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.158 2.332 12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.819 2.597 13.835 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.624 -0.437 13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.210 1.033 14.774 1.00 0.00 H new ATOM 200 N LEU A 55 -6.798 -0.403 6.306 1.00 0.00 N ATOM 201 CA LEU A 55 -7.166 -1.679 5.675 1.00 0.00 C ATOM 202 C LEU A 55 -5.965 -2.618 5.671 1.00 0.00 C ATOM 203 O LEU A 55 -4.839 -2.229 6.017 1.00 0.00 O ATOM 204 CB LEU A 55 -7.677 -1.448 4.227 1.00 0.00 C ATOM 205 CG LEU A 55 -9.016 -0.671 4.109 1.00 0.00 C ATOM 206 CD1 LEU A 55 -9.336 -0.318 2.640 1.00 0.00 C ATOM 207 CD2 LEU A 55 -10.177 -1.455 4.759 1.00 0.00 C ATOM 0 H LEU A 55 -5.977 0.033 5.887 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.972 -2.135 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.912 -0.905 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.795 -2.417 3.743 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.900 0.265 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.280 0.225 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.539 0.304 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.416 -1.234 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.101 -0.885 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.290 -2.418 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.961 -1.616 5.815 1.00 0.00 H new ATOM 219 N PHE A 56 -6.228 -3.860 5.267 1.00 0.00 N ATOM 220 CA PHE A 56 -5.238 -4.951 5.270 1.00 0.00 C ATOM 221 C PHE A 56 -5.338 -5.714 3.938 1.00 0.00 C ATOM 222 O PHE A 56 -6.420 -5.810 3.349 1.00 0.00 O ATOM 223 CB PHE A 56 -5.483 -5.922 6.466 1.00 0.00 C ATOM 224 CG PHE A 56 -5.573 -5.240 7.835 1.00 0.00 C ATOM 225 CD1 PHE A 56 -4.439 -5.031 8.609 1.00 0.00 C ATOM 226 CD2 PHE A 56 -6.797 -4.792 8.336 1.00 0.00 C ATOM 227 CE1 PHE A 56 -4.521 -4.395 9.836 1.00 0.00 C ATOM 228 CE2 PHE A 56 -6.877 -4.158 9.562 1.00 0.00 C ATOM 229 CZ PHE A 56 -5.738 -3.960 10.310 1.00 0.00 C ATOM 0 H PHE A 56 -7.144 -4.147 4.923 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.239 -4.529 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.407 -6.471 6.287 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.677 -6.655 6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.479 -5.370 8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.696 -4.943 7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.628 -4.240 10.423 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.833 -3.818 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.799 -3.464 11.267 1.00 0.00 H new ATOM 239 N GLY A 57 -4.201 -6.233 3.480 1.00 0.00 N ATOM 240 CA GLY A 57 -4.133 -7.047 2.271 1.00 0.00 C ATOM 241 C GLY A 57 -2.712 -7.490 1.999 1.00 0.00 C ATOM 242 O GLY A 57 -1.829 -7.291 2.838 1.00 0.00 O ATOM 0 H GLY A 57 -3.300 -6.100 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.776 -7.920 2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.509 -6.477 1.422 1.00 0.00 H new ATOM 246 N THR A 58 -2.476 -8.079 0.826 1.00 0.00 N ATOM 247 CA THR A 58 -1.141 -8.552 0.425 1.00 0.00 C ATOM 248 C THR A 58 -0.725 -7.853 -0.882 1.00 0.00 C ATOM 249 O THR A 58 -1.569 -7.572 -1.739 1.00 0.00 O ATOM 250 CB THR A 58 -1.139 -10.108 0.262 1.00 0.00 C ATOM 251 OG1 THR A 58 -1.627 -10.706 1.471 1.00 0.00 O ATOM 252 CG2 THR A 58 0.254 -10.680 -0.059 1.00 0.00 C ATOM 0 H THR A 58 -3.199 -8.243 0.126 1.00 0.00 H new ATOM 0 HA THR A 58 -0.417 -8.302 1.201 1.00 0.00 H new ATOM 0 HB THR A 58 -1.784 -10.344 -0.584 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.630 -11.681 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.188 -11.763 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.618 -10.250 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.944 -10.432 0.748 1.00 0.00 H new ATOM 260 N VAL A 59 0.575 -7.554 -1.008 1.00 0.00 N ATOM 261 CA VAL A 59 1.133 -6.854 -2.172 1.00 0.00 C ATOM 262 C VAL A 59 1.180 -7.787 -3.388 1.00 0.00 C ATOM 263 O VAL A 59 1.905 -8.788 -3.367 1.00 0.00 O ATOM 264 CB VAL A 59 2.584 -6.336 -1.868 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.152 -5.515 -3.049 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.626 -5.532 -0.552 1.00 0.00 C ATOM 0 H VAL A 59 1.272 -7.792 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 59 0.486 -6.004 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 59 3.224 -7.209 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.157 -5.173 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.189 -6.139 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.511 -4.654 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.644 -5.187 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.960 -4.673 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.304 -6.168 0.273 1.00 0.00 H new ATOM 276 N ALA A 60 0.409 -7.463 -4.430 1.00 0.00 N ATOM 277 CA ALA A 60 0.440 -8.192 -5.700 1.00 0.00 C ATOM 278 C ALA A 60 1.649 -7.731 -6.526 1.00 0.00 C ATOM 279 O ALA A 60 2.066 -6.566 -6.454 1.00 0.00 O ATOM 280 CB ALA A 60 -0.882 -7.994 -6.464 1.00 0.00 C ATOM 0 H ALA A 60 -0.254 -6.688 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 60 0.546 -9.260 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.844 -8.542 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.710 -8.367 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.030 -6.933 -6.667 1.00 0.00 H new ATOM 286 N ALA A 61 2.198 -8.665 -7.317 1.00 0.00 N ATOM 287 CA ALA A 61 3.342 -8.410 -8.207 1.00 0.00 C ATOM 288 C ALA A 61 2.912 -7.622 -9.454 1.00 0.00 C ATOM 289 O ALA A 61 3.744 -7.240 -10.279 1.00 0.00 O ATOM 290 CB ALA A 61 4.010 -9.735 -8.598 1.00 0.00 C ATOM 0 H ALA A 61 1.858 -9.626 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 61 4.067 -7.799 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.855 -9.536 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.361 -10.244 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.288 -10.368 -9.115 1.00 0.00 H new ATOM 296 N ASP A 62 1.596 -7.412 -9.579 1.00 0.00 N ATOM 297 CA ASP A 62 0.983 -6.651 -10.660 1.00 0.00 C ATOM 298 C ASP A 62 0.883 -5.170 -10.270 1.00 0.00 C ATOM 299 O ASP A 62 0.415 -4.847 -9.170 1.00 0.00 O ATOM 300 CB ASP A 62 -0.436 -7.197 -10.958 1.00 0.00 C ATOM 301 CG ASP A 62 -0.459 -8.703 -11.243 1.00 0.00 C ATOM 302 OD1 ASP A 62 -0.494 -9.501 -10.279 1.00 0.00 O ATOM 303 OD2 ASP A 62 -0.420 -9.102 -12.425 1.00 0.00 O ATOM 0 H ASP A 62 0.917 -7.778 -8.912 1.00 0.00 H new ATOM 0 HA ASP A 62 1.604 -6.751 -11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.085 -6.985 -10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.850 -6.666 -11.815 1.00 0.00 H new ATOM 308 N GLY A 63 1.351 -4.282 -11.160 1.00 0.00 N ATOM 309 CA GLY A 63 1.131 -2.837 -11.027 1.00 0.00 C ATOM 310 C GLY A 63 1.966 -2.183 -9.929 1.00 0.00 C ATOM 311 O GLY A 63 1.683 -1.046 -9.528 1.00 0.00 O ATOM 0 H GLY A 63 1.889 -4.544 -11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.358 -2.356 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.075 -2.657 -10.823 1.00 0.00 H new ATOM 315 N LEU A 64 3.002 -2.895 -9.457 1.00 0.00 N ATOM 316 CA LEU A 64 3.923 -2.397 -8.432 1.00 0.00 C ATOM 317 C LEU A 64 4.904 -1.414 -9.105 1.00 0.00 C ATOM 318 O LEU A 64 5.943 -1.809 -9.645 1.00 0.00 O ATOM 319 CB LEU A 64 4.634 -3.596 -7.724 1.00 0.00 C ATOM 320 CG LEU A 64 5.269 -3.320 -6.307 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.586 -4.644 -5.581 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.543 -2.435 -6.382 1.00 0.00 C ATOM 0 H LEU A 64 3.222 -3.837 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 64 3.392 -1.857 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.910 -4.404 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.423 -3.959 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 64 4.523 -2.766 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.023 -4.429 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.667 -5.215 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.292 -5.225 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.937 -2.278 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.296 -2.932 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.292 -1.473 -6.828 1.00 0.00 H new ATOM 334 N THR A 65 4.495 -0.145 -9.120 1.00 0.00 N ATOM 335 CA THR A 65 5.263 0.966 -9.680 1.00 0.00 C ATOM 336 C THR A 65 5.720 1.900 -8.544 1.00 0.00 C ATOM 337 O THR A 65 4.897 2.396 -7.775 1.00 0.00 O ATOM 338 CB THR A 65 4.409 1.759 -10.730 1.00 0.00 C ATOM 339 OG1 THR A 65 3.864 0.840 -11.695 1.00 0.00 O ATOM 340 CG2 THR A 65 5.239 2.835 -11.465 1.00 0.00 C ATOM 0 H THR A 65 3.597 0.145 -8.733 1.00 0.00 H new ATOM 0 HA THR A 65 6.139 0.567 -10.191 1.00 0.00 H new ATOM 0 HB THR A 65 3.611 2.267 -10.189 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.329 1.334 -12.351 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.605 3.357 -12.181 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.632 3.549 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.066 2.359 -11.992 1.00 0.00 H new ATOM 348 N MET A 66 7.035 2.144 -8.464 1.00 0.00 N ATOM 349 CA MET A 66 7.627 3.050 -7.466 1.00 0.00 C ATOM 350 C MET A 66 7.448 4.484 -7.985 1.00 0.00 C ATOM 351 O MET A 66 7.590 4.712 -9.195 1.00 0.00 O ATOM 352 CB MET A 66 9.134 2.727 -7.260 1.00 0.00 C ATOM 353 CG MET A 66 9.438 1.272 -6.856 1.00 0.00 C ATOM 354 SD MET A 66 8.763 0.804 -5.243 1.00 0.00 S ATOM 355 CE MET A 66 9.635 1.913 -4.132 1.00 0.00 C ATOM 0 H MET A 66 7.720 1.719 -9.089 1.00 0.00 H new ATOM 0 HA MET A 66 7.135 2.929 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.668 2.951 -8.184 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.531 3.392 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.035 0.602 -7.616 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.518 1.127 -6.843 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.690 1.465 -3.140 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.643 2.087 -4.508 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.102 2.862 -4.072 1.00 0.00 H new ATOM 365 N LEU A 67 7.112 5.444 -7.104 1.00 0.00 N ATOM 366 CA LEU A 67 6.863 6.836 -7.525 1.00 0.00 C ATOM 367 C LEU A 67 8.162 7.501 -8.024 1.00 0.00 C ATOM 368 O LEU A 67 9.216 7.373 -7.396 1.00 0.00 O ATOM 369 CB LEU A 67 6.204 7.651 -6.381 1.00 0.00 C ATOM 370 CG LEU A 67 4.765 7.199 -5.961 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.182 8.137 -4.880 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.823 7.100 -7.186 1.00 0.00 C ATOM 0 H LEU A 67 7.007 5.284 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 67 6.163 6.820 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.850 7.599 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.161 8.697 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 67 4.845 6.201 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.182 7.800 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.824 8.120 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.128 9.153 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.833 6.784 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.752 8.074 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.221 6.372 -7.893 1.00 0.00 H new ATOM 384 N ASP A 68 8.081 8.178 -9.179 1.00 0.00 N ATOM 385 CA ASP A 68 9.244 8.806 -9.835 1.00 0.00 C ATOM 386 C ASP A 68 9.457 10.213 -9.278 1.00 0.00 C ATOM 387 O ASP A 68 8.569 11.056 -9.401 1.00 0.00 O ATOM 388 CB ASP A 68 9.024 8.864 -11.370 1.00 0.00 C ATOM 389 CG ASP A 68 8.849 7.476 -12.009 1.00 0.00 C ATOM 390 OD1 ASP A 68 9.868 6.796 -12.270 1.00 0.00 O ATOM 391 OD2 ASP A 68 7.696 7.058 -12.253 1.00 0.00 O ATOM 0 H ASP A 68 7.206 8.307 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 68 10.132 8.208 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.142 9.468 -11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.873 9.366 -11.834 1.00 0.00 H new ATOM 396 N GLY A 69 10.625 10.451 -8.655 1.00 0.00 N ATOM 397 CA GLY A 69 10.970 11.761 -8.087 1.00 0.00 C ATOM 398 C GLY A 69 10.404 11.950 -6.685 1.00 0.00 C ATOM 399 O GLY A 69 11.149 12.193 -5.722 1.00 0.00 O ATOM 0 H GLY A 69 11.350 9.744 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.054 11.867 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.591 12.548 -8.739 1.00 0.00 H new ATOM 403 N ALA A 70 9.072 11.848 -6.572 1.00 0.00 N ATOM 404 CA ALA A 70 8.372 11.887 -5.282 1.00 0.00 C ATOM 405 C ALA A 70 8.579 10.552 -4.523 1.00 0.00 C ATOM 406 O ALA A 70 8.579 9.490 -5.157 1.00 0.00 O ATOM 407 CB ALA A 70 6.881 12.161 -5.507 1.00 0.00 C ATOM 0 H ALA A 70 8.450 11.736 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 70 8.784 12.692 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.367 12.189 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.759 13.120 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.455 11.370 -6.124 1.00 0.00 H new ATOM 413 N PRO A 71 8.791 10.576 -3.169 1.00 0.00 N ATOM 414 CA PRO A 71 8.928 9.335 -2.375 1.00 0.00 C ATOM 415 C PRO A 71 7.574 8.603 -2.208 1.00 0.00 C ATOM 416 O PRO A 71 6.535 9.238 -1.966 1.00 0.00 O ATOM 417 CB PRO A 71 9.503 9.839 -1.030 1.00 0.00 C ATOM 418 CG PRO A 71 8.978 11.238 -0.899 1.00 0.00 C ATOM 419 CD PRO A 71 8.932 11.794 -2.312 1.00 0.00 C ATOM 0 HA PRO A 71 9.568 8.591 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.177 9.213 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.593 9.822 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.988 11.243 -0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.625 11.841 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.093 12.477 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.838 12.350 -2.553 1.00 0.00 H new ATOM 427 N GLY A 72 7.590 7.274 -2.385 1.00 0.00 N ATOM 428 CA GLY A 72 6.408 6.436 -2.209 1.00 0.00 C ATOM 429 C GLY A 72 6.352 5.285 -3.205 1.00 0.00 C ATOM 430 O GLY A 72 7.333 5.021 -3.916 1.00 0.00 O ATOM 0 H GLY A 72 8.426 6.755 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.399 6.035 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.513 7.049 -2.317 1.00 0.00 H new ATOM 434 N VAL A 73 5.193 4.611 -3.271 1.00 0.00 N ATOM 435 CA VAL A 73 4.979 3.462 -4.171 1.00 0.00 C ATOM 436 C VAL A 73 3.480 3.225 -4.387 1.00 0.00 C ATOM 437 O VAL A 73 2.708 3.223 -3.433 1.00 0.00 O ATOM 438 CB VAL A 73 5.665 2.142 -3.629 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.177 1.760 -2.202 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.476 0.962 -4.623 1.00 0.00 C ATOM 0 H VAL A 73 4.378 4.845 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 73 5.448 3.708 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 73 6.732 2.352 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.678 0.848 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.411 2.568 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.100 1.596 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.958 0.069 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.412 0.769 -4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.926 1.219 -5.582 1.00 0.00 H new ATOM 450 N ARG A 74 3.081 3.058 -5.649 1.00 0.00 N ATOM 451 CA ARG A 74 1.733 2.619 -6.010 1.00 0.00 C ATOM 452 C ARG A 74 1.779 1.128 -6.398 1.00 0.00 C ATOM 453 O ARG A 74 2.694 0.701 -7.089 1.00 0.00 O ATOM 454 CB ARG A 74 1.163 3.479 -7.163 1.00 0.00 C ATOM 455 CG ARG A 74 -0.313 3.165 -7.498 1.00 0.00 C ATOM 456 CD ARG A 74 -0.887 4.087 -8.583 1.00 0.00 C ATOM 457 NE ARG A 74 -2.295 3.767 -8.876 1.00 0.00 N ATOM 458 CZ ARG A 74 -3.095 4.445 -9.712 1.00 0.00 C ATOM 459 NH1 ARG A 74 -2.640 5.477 -10.417 1.00 0.00 N ATOM 460 NH2 ARG A 74 -4.352 4.065 -9.849 1.00 0.00 N ATOM 0 H ARG A 74 3.687 3.224 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 74 1.069 2.746 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.250 4.532 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.770 3.324 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.393 2.129 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.914 3.259 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.809 5.125 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.295 3.992 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.697 2.959 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.666 5.766 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.265 5.979 -11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.703 3.265 -9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.972 4.571 -10.481 1.00 0.00 H new ATOM 474 N PHE A 75 0.786 0.350 -5.950 1.00 0.00 N ATOM 475 CA PHE A 75 0.735 -1.106 -6.193 1.00 0.00 C ATOM 476 C PHE A 75 -0.694 -1.619 -6.062 1.00 0.00 C ATOM 477 O PHE A 75 -1.570 -0.907 -5.579 1.00 0.00 O ATOM 478 CB PHE A 75 1.700 -1.873 -5.234 1.00 0.00 C ATOM 479 CG PHE A 75 1.406 -1.719 -3.734 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.856 -0.605 -3.023 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.696 -2.700 -3.034 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.613 -0.482 -1.666 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.457 -2.579 -1.679 1.00 0.00 C ATOM 484 CZ PHE A 75 0.913 -1.471 -0.996 1.00 0.00 C ATOM 0 H PHE A 75 -0.004 0.705 -5.411 1.00 0.00 H new ATOM 0 HA PHE A 75 1.072 -1.292 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.667 -2.933 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.718 -1.532 -5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.401 0.171 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.328 -3.567 -3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.969 0.385 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.086 -3.351 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.724 -1.375 0.063 1.00 0.00 H new ATOM 494 N ARG A 76 -0.918 -2.863 -6.493 1.00 0.00 N ATOM 495 CA ARG A 76 -2.227 -3.519 -6.395 1.00 0.00 C ATOM 496 C ARG A 76 -2.280 -4.326 -5.096 1.00 0.00 C ATOM 497 O ARG A 76 -1.408 -5.156 -4.842 1.00 0.00 O ATOM 498 CB ARG A 76 -2.460 -4.425 -7.630 1.00 0.00 C ATOM 499 CG ARG A 76 -2.747 -3.636 -8.914 1.00 0.00 C ATOM 500 CD ARG A 76 -2.865 -4.504 -10.180 1.00 0.00 C ATOM 501 NE ARG A 76 -3.890 -5.550 -10.070 1.00 0.00 N ATOM 502 CZ ARG A 76 -4.175 -6.471 -11.008 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.493 -6.522 -12.156 1.00 0.00 N ATOM 504 NH2 ARG A 76 -5.150 -7.335 -10.791 1.00 0.00 N ATOM 0 H ARG A 76 -0.197 -3.445 -6.920 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.021 -2.772 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.581 -5.050 -7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.296 -5.095 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.674 -3.077 -8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.952 -2.905 -9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.098 -3.864 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.901 -4.969 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.433 -5.581 -9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.742 -5.855 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.724 -7.228 -12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.678 -7.300 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.375 -8.038 -11.495 1.00 0.00 H new ATOM 518 N LEU A 77 -3.291 -4.051 -4.269 1.00 0.00 N ATOM 519 CA LEU A 77 -3.479 -4.714 -2.975 1.00 0.00 C ATOM 520 C LEU A 77 -4.623 -5.715 -3.082 1.00 0.00 C ATOM 521 O LEU A 77 -5.737 -5.338 -3.438 1.00 0.00 O ATOM 522 CB LEU A 77 -3.820 -3.692 -1.865 1.00 0.00 C ATOM 523 CG LEU A 77 -3.825 -4.272 -0.419 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.388 -4.540 0.048 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.579 -3.363 0.570 1.00 0.00 C ATOM 0 H LEU A 77 -4.008 -3.357 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.548 -5.218 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.101 -2.874 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.801 -3.265 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.366 -5.218 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.404 -4.945 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.915 -5.257 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.823 -3.608 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.555 -3.809 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.102 -2.383 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.614 -3.253 0.246 1.00 0.00 H new ATOM 537 N GLU A 78 -4.354 -6.966 -2.717 1.00 0.00 N ATOM 538 CA GLU A 78 -5.364 -8.023 -2.694 1.00 0.00 C ATOM 539 C GLU A 78 -6.304 -7.761 -1.505 1.00 0.00 C ATOM 540 O GLU A 78 -5.954 -8.058 -0.356 1.00 0.00 O ATOM 541 CB GLU A 78 -4.657 -9.396 -2.587 1.00 0.00 C ATOM 542 CG GLU A 78 -3.668 -9.660 -3.744 1.00 0.00 C ATOM 543 CD GLU A 78 -2.827 -10.928 -3.544 1.00 0.00 C ATOM 544 OE1 GLU A 78 -3.291 -12.028 -3.907 1.00 0.00 O ATOM 545 OE2 GLU A 78 -1.698 -10.832 -3.017 1.00 0.00 O ATOM 0 H GLU A 78 -3.427 -7.277 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.957 -8.030 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.121 -9.449 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.409 -10.185 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.225 -9.745 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.002 -8.803 -3.847 1.00 0.00 H new ATOM 552 N ASP A 79 -7.458 -7.123 -1.805 1.00 0.00 N ATOM 553 CA ASP A 79 -8.423 -6.656 -0.790 1.00 0.00 C ATOM 554 C ASP A 79 -8.950 -7.820 0.063 1.00 0.00 C ATOM 555 O ASP A 79 -9.380 -8.849 -0.469 1.00 0.00 O ATOM 556 CB ASP A 79 -9.596 -5.887 -1.465 1.00 0.00 C ATOM 557 CG ASP A 79 -10.706 -5.434 -0.485 1.00 0.00 C ATOM 558 OD1 ASP A 79 -10.386 -5.030 0.657 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.903 -5.491 -0.847 1.00 0.00 O ATOM 0 H ASP A 79 -7.745 -6.918 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.900 -5.971 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.196 -5.010 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.040 -6.524 -2.230 1.00 0.00 H new ATOM 659 N THR A 86 -8.409 -5.907 -6.684 1.00 0.00 N ATOM 660 CA THR A 86 -7.179 -5.330 -6.147 1.00 0.00 C ATOM 661 C THR A 86 -7.299 -3.800 -6.155 1.00 0.00 C ATOM 662 O THR A 86 -7.630 -3.201 -7.181 1.00 0.00 O ATOM 663 CB THR A 86 -5.919 -5.795 -6.951 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.158 -5.641 -8.358 1.00 0.00 O ATOM 665 CG2 THR A 86 -5.530 -7.258 -6.650 1.00 0.00 C ATOM 0 HA THR A 86 -7.046 -5.682 -5.124 1.00 0.00 H new ATOM 0 HB THR A 86 -5.086 -5.166 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.117 -5.734 -8.539 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.650 -7.528 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.307 -7.364 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.357 -7.916 -6.915 1.00 0.00 H new ATOM 673 N VAL A 87 -7.038 -3.186 -5.001 1.00 0.00 N ATOM 674 CA VAL A 87 -7.160 -1.733 -4.804 1.00 0.00 C ATOM 675 C VAL A 87 -5.766 -1.111 -4.879 1.00 0.00 C ATOM 676 O VAL A 87 -4.830 -1.630 -4.272 1.00 0.00 O ATOM 677 CB VAL A 87 -7.823 -1.409 -3.407 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.962 0.124 -3.156 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.194 -2.121 -3.281 1.00 0.00 C ATOM 0 H VAL A 87 -6.732 -3.684 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.799 -1.316 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.156 -1.792 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.423 0.293 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.975 0.587 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.585 0.565 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.638 -1.888 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.856 -1.778 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.053 -3.199 -3.365 1.00 0.00 H new ATOM 689 N TRP A 88 -5.636 -0.005 -5.617 1.00 0.00 N ATOM 690 CA TRP A 88 -4.358 0.690 -5.779 1.00 0.00 C ATOM 691 C TRP A 88 -4.016 1.431 -4.492 1.00 0.00 C ATOM 692 O TRP A 88 -4.820 2.198 -3.995 1.00 0.00 O ATOM 693 CB TRP A 88 -4.427 1.691 -6.951 1.00 0.00 C ATOM 694 CG TRP A 88 -4.641 1.048 -8.299 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.813 0.957 -8.992 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.646 0.412 -9.106 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.601 0.325 -10.184 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.280 -0.029 -10.275 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.275 0.171 -8.951 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.588 -0.686 -11.298 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.595 -0.475 -9.960 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.250 -0.905 -11.120 1.00 0.00 C ATOM 0 H TRP A 88 -6.411 0.432 -6.117 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.585 -0.046 -5.997 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.236 2.397 -6.765 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.502 2.267 -6.978 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.767 1.330 -8.649 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.312 0.145 -10.893 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.760 0.486 -8.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.093 -1.009 -12.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.535 -0.653 -9.854 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.689 -1.418 -11.887 1.00 0.00 H new ATOM 713 N VAL A 89 -2.838 1.187 -3.956 1.00 0.00 N ATOM 714 CA VAL A 89 -2.362 1.849 -2.748 1.00 0.00 C ATOM 715 C VAL A 89 -1.272 2.847 -3.133 1.00 0.00 C ATOM 716 O VAL A 89 -0.161 2.447 -3.482 1.00 0.00 O ATOM 717 CB VAL A 89 -1.830 0.785 -1.733 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.255 1.447 -0.467 1.00 0.00 C ATOM 719 CG2 VAL A 89 -2.941 -0.225 -1.371 1.00 0.00 C ATOM 0 H VAL A 89 -2.174 0.518 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.177 2.388 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.016 0.244 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.895 0.677 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.429 2.103 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.034 2.031 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.551 -0.957 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.781 0.304 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.277 -0.736 -2.274 1.00 0.00 H new ATOM 729 N LEU A 90 -1.617 4.136 -3.093 1.00 0.00 N ATOM 730 CA LEU A 90 -0.693 5.223 -3.404 1.00 0.00 C ATOM 731 C LEU A 90 -0.023 5.666 -2.097 1.00 0.00 C ATOM 732 O LEU A 90 -0.550 6.505 -1.355 1.00 0.00 O ATOM 733 CB LEU A 90 -1.447 6.406 -4.069 1.00 0.00 C ATOM 734 CG LEU A 90 -0.562 7.587 -4.570 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.384 7.136 -5.701 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.436 8.778 -5.018 1.00 0.00 C ATOM 0 H LEU A 90 -2.553 4.454 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 90 0.064 4.883 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.014 6.019 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.170 6.798 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 90 0.056 7.918 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.988 7.982 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.037 6.344 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.204 6.763 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.796 9.590 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.092 8.463 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.038 9.124 -4.178 1.00 0.00 H new ATOM 748 N TYR A 91 1.129 5.053 -1.822 1.00 0.00 N ATOM 749 CA TYR A 91 1.943 5.342 -0.643 1.00 0.00 C ATOM 750 C TYR A 91 2.829 6.561 -0.922 1.00 0.00 C ATOM 751 O TYR A 91 3.222 6.802 -2.066 1.00 0.00 O ATOM 752 CB TYR A 91 2.794 4.107 -0.232 1.00 0.00 C ATOM 753 CG TYR A 91 3.715 4.357 0.969 1.00 0.00 C ATOM 754 CD1 TYR A 91 3.185 4.740 2.205 1.00 0.00 C ATOM 755 CD2 TYR A 91 5.104 4.239 0.868 1.00 0.00 C ATOM 756 CE1 TYR A 91 4.007 4.987 3.287 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.920 4.482 1.951 1.00 0.00 C ATOM 758 CZ TYR A 91 5.369 4.859 3.157 1.00 0.00 C ATOM 759 OH TYR A 91 6.189 5.100 4.238 1.00 0.00 O ATOM 0 H TYR A 91 1.528 4.331 -2.422 1.00 0.00 H new ATOM 0 HA TYR A 91 1.285 5.569 0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.125 3.279 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.400 3.796 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.116 4.844 2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.545 3.952 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.580 5.280 4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.991 4.377 1.855 1.00 0.00 H new ATOM 0 HH TYR A 91 7.119 4.917 3.990 1.00 0.00 H new ATOM 769 N LYS A 92 3.136 7.308 0.154 1.00 0.00 N ATOM 770 CA LYS A 92 3.909 8.556 0.113 1.00 0.00 C ATOM 771 C LYS A 92 4.901 8.560 1.286 1.00 0.00 C ATOM 772 O LYS A 92 4.493 8.410 2.445 1.00 0.00 O ATOM 773 CB LYS A 92 2.954 9.777 0.157 1.00 0.00 C ATOM 774 CG LYS A 92 2.083 9.944 -1.116 1.00 0.00 C ATOM 775 CD LYS A 92 0.819 10.819 -0.903 1.00 0.00 C ATOM 776 CE LYS A 92 -0.303 10.105 -0.108 1.00 0.00 C ATOM 777 NZ LYS A 92 0.061 9.795 1.301 1.00 0.00 N ATOM 0 H LYS A 92 2.845 7.052 1.097 1.00 0.00 H new ATOM 0 HA LYS A 92 4.473 8.624 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.299 9.682 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.544 10.682 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.691 10.387 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.776 8.958 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.103 11.730 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.428 11.121 -1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.194 10.732 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.563 9.178 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.795 9.808 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.499 8.853 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.734 10.507 1.651 1.00 0.00 H new ATOM 791 N GLY A 93 6.195 8.691 0.972 1.00 0.00 N ATOM 792 CA GLY A 93 7.269 8.735 1.970 1.00 0.00 C ATOM 793 C GLY A 93 8.283 7.629 1.754 1.00 0.00 C ATOM 794 O GLY A 93 8.268 6.957 0.706 1.00 0.00 O ATOM 0 H GLY A 93 6.528 8.770 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.770 9.702 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.841 8.646 2.969 1.00 0.00 H new ATOM 798 N ALA A 94 9.172 7.447 2.746 1.00 0.00 N ATOM 799 CA ALA A 94 10.210 6.409 2.717 1.00 0.00 C ATOM 800 C ALA A 94 9.573 5.009 2.763 1.00 0.00 C ATOM 801 O ALA A 94 8.911 4.652 3.745 1.00 0.00 O ATOM 802 CB ALA A 94 11.194 6.606 3.883 1.00 0.00 C ATOM 0 H ALA A 94 9.189 8.018 3.591 1.00 0.00 H new ATOM 0 HA ALA A 94 10.766 6.495 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.958 5.830 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.667 7.584 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.655 6.544 4.828 1.00 0.00 H new ATOM 808 N VAL A 95 9.775 4.239 1.683 1.00 0.00 N ATOM 809 CA VAL A 95 9.151 2.920 1.488 1.00 0.00 C ATOM 810 C VAL A 95 9.902 1.860 2.303 1.00 0.00 C ATOM 811 O VAL A 95 11.133 1.785 2.193 1.00 0.00 O ATOM 812 CB VAL A 95 9.146 2.510 -0.041 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.438 1.146 -0.275 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.512 3.627 -0.905 1.00 0.00 C ATOM 0 H VAL A 95 10.382 4.517 0.912 1.00 0.00 H new ATOM 0 HA VAL A 95 8.118 2.982 1.831 1.00 0.00 H new ATOM 0 HB VAL A 95 10.184 2.386 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.458 0.903 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.955 0.367 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.404 1.210 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.519 3.325 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.485 3.797 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.086 4.547 -0.789 1.00 0.00 H new ATOM 824 N PRO A 96 9.188 1.040 3.154 1.00 0.00 N ATOM 825 CA PRO A 96 9.833 -0.053 3.916 1.00 0.00 C ATOM 826 C PRO A 96 10.524 -1.055 2.963 1.00 0.00 C ATOM 827 O PRO A 96 9.947 -1.440 1.948 1.00 0.00 O ATOM 828 CB PRO A 96 8.659 -0.707 4.708 1.00 0.00 C ATOM 829 CG PRO A 96 7.411 -0.267 3.995 1.00 0.00 C ATOM 830 CD PRO A 96 7.721 1.108 3.440 1.00 0.00 C ATOM 0 HA PRO A 96 10.623 0.298 4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.746 -1.793 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.655 -0.380 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.150 -0.962 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.562 -0.232 4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.145 1.318 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.487 1.894 4.158 1.00 0.00 H new ATOM 838 N ASP A 97 11.779 -1.425 3.270 1.00 0.00 N ATOM 839 CA ASP A 97 12.556 -2.400 2.466 1.00 0.00 C ATOM 840 C ASP A 97 11.907 -3.800 2.512 1.00 0.00 C ATOM 841 O ASP A 97 12.036 -4.596 1.573 1.00 0.00 O ATOM 842 CB ASP A 97 14.028 -2.464 2.954 1.00 0.00 C ATOM 843 CG ASP A 97 14.182 -2.974 4.399 1.00 0.00 C ATOM 844 OD1 ASP A 97 14.046 -2.165 5.345 1.00 0.00 O ATOM 845 OD2 ASP A 97 14.437 -4.173 4.602 1.00 0.00 O ATOM 0 H ASP A 97 12.286 -1.062 4.077 1.00 0.00 H new ATOM 0 HA ASP A 97 12.551 -2.060 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.594 -3.114 2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.469 -1.470 2.880 1.00 0.00 H new ATOM 850 N THR A 98 11.174 -4.059 3.606 1.00 0.00 N ATOM 851 CA THR A 98 10.460 -5.325 3.841 1.00 0.00 C ATOM 852 C THR A 98 9.208 -5.464 2.941 1.00 0.00 C ATOM 853 O THR A 98 8.622 -6.555 2.845 1.00 0.00 O ATOM 854 CB THR A 98 10.073 -5.438 5.341 1.00 0.00 C ATOM 855 OG1 THR A 98 9.394 -4.238 5.747 1.00 0.00 O ATOM 856 CG2 THR A 98 11.307 -5.652 6.235 1.00 0.00 C ATOM 0 H THR A 98 11.059 -3.386 4.363 1.00 0.00 H new ATOM 0 HA THR A 98 11.131 -6.142 3.578 1.00 0.00 H new ATOM 0 HB THR A 98 9.421 -6.304 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.563 -4.072 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.993 -5.726 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.813 -6.572 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.990 -4.810 6.121 1.00 0.00 H new ATOM 864 N PHE A 99 8.812 -4.338 2.315 1.00 0.00 N ATOM 865 CA PHE A 99 7.771 -4.299 1.274 1.00 0.00 C ATOM 866 C PHE A 99 8.253 -5.100 0.051 1.00 0.00 C ATOM 867 O PHE A 99 9.294 -4.797 -0.532 1.00 0.00 O ATOM 868 CB PHE A 99 7.454 -2.823 0.907 1.00 0.00 C ATOM 869 CG PHE A 99 6.593 -2.615 -0.334 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.215 -2.776 -0.287 1.00 0.00 C ATOM 871 CD2 PHE A 99 7.172 -2.254 -1.552 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.449 -2.586 -1.413 1.00 0.00 C ATOM 873 CE2 PHE A 99 6.402 -2.063 -2.672 1.00 0.00 C ATOM 874 CZ PHE A 99 5.039 -2.232 -2.604 1.00 0.00 C ATOM 0 H PHE A 99 9.211 -3.422 2.521 1.00 0.00 H new ATOM 0 HA PHE A 99 6.850 -4.754 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.952 -2.358 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.396 -2.294 0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.740 -3.053 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.242 -2.123 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.378 -2.715 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.866 -1.780 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.432 -2.087 -3.485 1.00 0.00 H new ATOM 884 N LYS A 100 7.482 -6.120 -0.313 1.00 0.00 N ATOM 885 CA LYS A 100 7.824 -7.069 -1.386 1.00 0.00 C ATOM 886 C LYS A 100 6.527 -7.681 -1.949 1.00 0.00 C ATOM 887 O LYS A 100 5.506 -7.711 -1.239 1.00 0.00 O ATOM 888 CB LYS A 100 8.753 -8.193 -0.832 1.00 0.00 C ATOM 889 CG LYS A 100 8.176 -8.934 0.392 1.00 0.00 C ATOM 890 CD LYS A 100 8.972 -10.193 0.780 1.00 0.00 C ATOM 891 CE LYS A 100 8.442 -10.838 2.072 1.00 0.00 C ATOM 892 NZ LYS A 100 8.745 -10.028 3.291 1.00 0.00 N ATOM 0 H LYS A 100 6.586 -6.320 0.132 1.00 0.00 H new ATOM 0 HA LYS A 100 8.354 -6.545 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.945 -8.916 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.714 -7.756 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.153 -8.252 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.144 -9.217 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.922 -10.917 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.022 -9.931 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.363 -10.972 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.879 -11.830 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.395 -10.526 4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.773 -9.892 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.278 -9.102 3.217 1.00 0.00 H new ATOM 906 N PRO A 101 6.526 -8.185 -3.225 1.00 0.00 N ATOM 907 CA PRO A 101 5.360 -8.897 -3.783 1.00 0.00 C ATOM 908 C PRO A 101 5.143 -10.235 -3.048 1.00 0.00 C ATOM 909 O PRO A 101 5.859 -11.210 -3.294 1.00 0.00 O ATOM 910 CB PRO A 101 5.715 -9.102 -5.290 1.00 0.00 C ATOM 911 CG PRO A 101 6.902 -8.210 -5.539 1.00 0.00 C ATOM 912 CD PRO A 101 7.629 -8.100 -4.220 1.00 0.00 C ATOM 0 HA PRO A 101 4.426 -8.347 -3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.954 -10.144 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.877 -8.832 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.551 -8.630 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.585 -7.229 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.354 -8.904 -4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.176 -7.161 -4.137 1.00 0.00 H new ATOM 920 N GLY A 102 4.187 -10.251 -2.098 1.00 0.00 N ATOM 921 CA GLY A 102 3.891 -11.450 -1.306 1.00 0.00 C ATOM 922 C GLY A 102 3.882 -11.213 0.190 1.00 0.00 C ATOM 923 O GLY A 102 3.626 -12.156 0.945 1.00 0.00 O ATOM 0 H GLY A 102 3.609 -9.444 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.919 -11.841 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.630 -12.217 -1.538 1.00 0.00 H new ATOM 927 N VAL A 103 4.181 -9.981 0.653 1.00 0.00 N ATOM 928 CA VAL A 103 4.053 -9.648 2.088 1.00 0.00 C ATOM 929 C VAL A 103 2.677 -9.012 2.372 1.00 0.00 C ATOM 930 O VAL A 103 2.150 -8.251 1.546 1.00 0.00 O ATOM 931 CB VAL A 103 5.210 -8.699 2.612 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.130 -7.276 2.007 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.231 -8.638 4.162 1.00 0.00 C ATOM 0 H VAL A 103 4.507 -9.213 0.067 1.00 0.00 H new ATOM 0 HA VAL A 103 4.144 -10.588 2.633 1.00 0.00 H new ATOM 0 HB VAL A 103 6.148 -9.139 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.945 -6.668 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.212 -7.337 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.176 -6.820 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.035 -7.979 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.277 -8.254 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.395 -9.638 4.563 1.00 0.00 H new ATOM 943 N GLU A 104 2.090 -9.369 3.525 1.00 0.00 N ATOM 944 CA GLU A 104 0.888 -8.727 4.042 1.00 0.00 C ATOM 945 C GLU A 104 1.258 -7.339 4.577 1.00 0.00 C ATOM 946 O GLU A 104 2.068 -7.220 5.502 1.00 0.00 O ATOM 947 CB GLU A 104 0.255 -9.564 5.171 1.00 0.00 C ATOM 948 CG GLU A 104 -0.346 -10.916 4.748 1.00 0.00 C ATOM 949 CD GLU A 104 -1.069 -11.617 5.914 1.00 0.00 C ATOM 950 OE1 GLU A 104 -2.191 -11.179 6.272 1.00 0.00 O ATOM 951 OE2 GLU A 104 -0.509 -12.567 6.503 1.00 0.00 O ATOM 0 H GLU A 104 2.444 -10.116 4.122 1.00 0.00 H new ATOM 0 HA GLU A 104 0.160 -8.640 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.015 -9.748 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.529 -8.971 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.047 -10.760 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.446 -11.563 4.371 1.00 0.00 H new ATOM 958 N VAL A 105 0.687 -6.302 3.965 1.00 0.00 N ATOM 959 CA VAL A 105 0.891 -4.914 4.395 1.00 0.00 C ATOM 960 C VAL A 105 -0.386 -4.332 5.013 1.00 0.00 C ATOM 961 O VAL A 105 -1.512 -4.724 4.673 1.00 0.00 O ATOM 962 CB VAL A 105 1.400 -3.990 3.224 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.840 -4.362 2.796 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.436 -4.013 2.017 1.00 0.00 C ATOM 0 H VAL A 105 0.070 -6.397 3.158 1.00 0.00 H new ATOM 0 HA VAL A 105 1.671 -4.938 5.156 1.00 0.00 H new ATOM 0 HB VAL A 105 1.420 -2.969 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.160 -3.706 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.513 -4.246 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.862 -5.397 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.822 -3.364 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.352 -5.031 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.547 -3.660 2.329 1.00 0.00 H new ATOM 974 N ILE A 106 -0.173 -3.401 5.947 1.00 0.00 N ATOM 975 CA ILE A 106 -1.221 -2.628 6.591 1.00 0.00 C ATOM 976 C ILE A 106 -1.175 -1.216 6.004 1.00 0.00 C ATOM 977 O ILE A 106 -0.204 -0.482 6.220 1.00 0.00 O ATOM 978 CB ILE A 106 -0.998 -2.569 8.143 1.00 0.00 C ATOM 979 CG1 ILE A 106 -0.908 -4.007 8.741 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.107 -1.743 8.833 1.00 0.00 C ATOM 981 CD1 ILE A 106 -0.739 -4.069 10.244 1.00 0.00 C ATOM 0 H ILE A 106 0.761 -3.163 6.280 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.191 -3.093 6.415 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.049 -2.066 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.811 -4.553 8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.070 -4.525 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.927 -1.719 9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.100 -0.726 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.077 -2.201 8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.687 -5.110 10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.180 -3.556 10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.588 -3.585 10.726 1.00 0.00 H new ATOM 993 N ILE A 107 -2.213 -0.855 5.245 1.00 0.00 N ATOM 994 CA ILE A 107 -2.303 0.465 4.602 1.00 0.00 C ATOM 995 C ILE A 107 -3.187 1.368 5.471 1.00 0.00 C ATOM 996 O ILE A 107 -4.171 0.903 6.055 1.00 0.00 O ATOM 997 CB ILE A 107 -2.871 0.352 3.131 1.00 0.00 C ATOM 998 CG1 ILE A 107 -4.389 -0.047 3.106 1.00 0.00 C ATOM 999 CG2 ILE A 107 -2.032 -0.674 2.321 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -5.045 -0.018 1.736 1.00 0.00 C ATOM 0 H ILE A 107 -3.011 -1.462 5.058 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.306 0.898 4.519 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.792 1.337 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.491 -1.051 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.936 0.626 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.427 -0.748 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.994 -0.345 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.085 -1.650 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.091 -0.309 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.983 0.989 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -4.532 -0.713 1.072 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.816 2.640 5.596 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.554 3.596 6.428 1.00 0.00 C ATOM 1014 C GLU A 108 -3.535 4.973 5.750 1.00 0.00 C ATOM 1015 O GLU A 108 -2.490 5.428 5.290 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.936 3.647 7.859 1.00 0.00 C ATOM 1017 CG GLU A 108 -3.793 4.422 8.871 1.00 0.00 C ATOM 1018 CD GLU A 108 -3.236 4.463 10.304 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -3.135 3.400 10.942 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -2.948 5.563 10.821 1.00 0.00 O ATOM 0 H GLU A 108 -2.002 3.038 5.128 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.592 3.280 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.793 2.629 8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.949 4.107 7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.911 5.445 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.788 3.977 8.897 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.708 5.616 5.680 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.880 6.900 5.002 1.00 0.00 C ATOM 1029 C GLY A 109 -6.354 7.155 4.719 1.00 0.00 C ATOM 1030 O GLY A 109 -7.090 7.535 5.624 1.00 0.00 O ATOM 0 H GLY A 109 -5.567 5.255 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.477 7.702 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.317 6.904 4.068 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.788 6.958 3.460 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.217 6.986 3.128 1.00 0.00 C ATOM 1036 C GLY A 110 -8.459 7.034 1.626 1.00 0.00 C ATOM 1037 O GLY A 110 -7.653 7.603 0.885 1.00 0.00 O ATOM 0 H GLY A 110 -6.173 6.780 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.702 6.103 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.680 7.855 3.597 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.557 6.413 1.176 1.00 0.00 N ATOM 1042 CA LEU A 111 -10.009 6.451 -0.231 1.00 0.00 C ATOM 1043 C LEU A 111 -11.204 7.411 -0.363 1.00 0.00 C ATOM 1044 O LEU A 111 -11.989 7.571 0.581 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.386 5.014 -0.706 1.00 0.00 C ATOM 1046 CG LEU A 111 -10.915 4.851 -2.177 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.914 5.400 -3.209 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.252 3.374 -2.484 1.00 0.00 C ATOM 0 H LEU A 111 -10.167 5.863 1.781 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.202 6.817 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.506 4.381 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.147 4.625 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.829 5.439 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.317 5.268 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.744 6.460 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.971 4.861 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.616 3.289 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.356 2.764 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.022 3.026 -1.795 1.00 0.00 H new ATOM 1060 N ALA A 112 -11.326 8.045 -1.539 1.00 0.00 N ATOM 1061 CA ALA A 112 -12.406 9.004 -1.845 1.00 0.00 C ATOM 1062 C ALA A 112 -13.307 8.461 -2.987 1.00 0.00 C ATOM 1063 O ALA A 112 -12.826 7.677 -3.817 1.00 0.00 O ATOM 1064 CB ALA A 112 -11.803 10.369 -2.201 1.00 0.00 C ATOM 0 H ALA A 112 -10.675 7.908 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.036 9.131 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.604 11.073 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.220 10.740 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.156 10.265 -3.072 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.638 8.849 -3.026 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.588 8.413 -4.085 1.00 0.00 C ATOM 1072 C PRO A 113 -15.098 8.714 -5.522 1.00 0.00 C ATOM 1073 O PRO A 113 -15.217 7.870 -6.415 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.883 9.203 -3.761 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.792 9.492 -2.298 1.00 0.00 C ATOM 1076 CD PRO A 113 -15.327 9.709 -2.016 1.00 0.00 C ATOM 0 HA PRO A 113 -15.718 7.331 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.943 10.122 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.773 8.619 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -17.376 10.374 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -17.185 8.663 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.049 10.757 -2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.068 9.417 -0.998 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.534 9.917 -5.724 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.016 10.339 -7.036 1.00 0.00 C ATOM 1086 C GLY A 114 -12.527 10.051 -7.211 1.00 0.00 C ATOM 1087 O GLY A 114 -11.836 10.749 -7.965 1.00 0.00 O ATOM 0 H GLY A 114 -14.425 10.618 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.574 9.829 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.191 11.407 -7.163 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.044 8.994 -6.539 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.615 8.650 -6.468 1.00 0.00 C ATOM 1093 C GLU A 115 -10.409 7.161 -6.791 1.00 0.00 C ATOM 1094 O GLU A 115 -11.070 6.301 -6.212 1.00 0.00 O ATOM 1095 CB GLU A 115 -10.077 8.985 -5.056 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.583 8.735 -4.846 1.00 0.00 C ATOM 1097 CD GLU A 115 -7.683 9.596 -5.737 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.374 10.742 -5.348 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -7.289 9.141 -6.833 1.00 0.00 O ATOM 0 H GLU A 115 -12.641 8.347 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.063 9.234 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.285 10.034 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.633 8.397 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.335 8.926 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.369 7.683 -5.037 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.492 6.879 -7.731 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.209 5.507 -8.206 1.00 0.00 C ATOM 1108 C ASP A 116 -8.062 4.825 -7.436 1.00 0.00 C ATOM 1109 O ASP A 116 -7.759 3.654 -7.695 1.00 0.00 O ATOM 1110 CB ASP A 116 -8.905 5.532 -9.730 1.00 0.00 C ATOM 1111 CG ASP A 116 -7.615 6.289 -10.098 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -7.593 7.533 -10.007 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -6.613 5.647 -10.475 1.00 0.00 O ATOM 0 H ASP A 116 -8.924 7.594 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.101 4.910 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.828 4.507 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.745 5.992 -10.250 1.00 0.00 H new ATOM 1118 N THR A 117 -7.408 5.546 -6.511 1.00 0.00 N ATOM 1119 CA THR A 117 -6.334 4.966 -5.673 1.00 0.00 C ATOM 1120 C THR A 117 -6.522 5.354 -4.190 1.00 0.00 C ATOM 1121 O THR A 117 -6.860 6.490 -3.873 1.00 0.00 O ATOM 1122 CB THR A 117 -4.908 5.376 -6.195 1.00 0.00 C ATOM 1123 OG1 THR A 117 -3.884 4.649 -5.483 1.00 0.00 O ATOM 1124 CG2 THR A 117 -4.637 6.889 -6.082 1.00 0.00 C ATOM 0 H THR A 117 -7.600 6.530 -6.321 1.00 0.00 H new ATOM 0 HA THR A 117 -6.405 3.881 -5.748 1.00 0.00 H new ATOM 0 HB THR A 117 -4.883 5.120 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.300 3.954 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.638 7.109 -6.458 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.374 7.436 -6.670 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.707 7.194 -5.038 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.285 4.400 -3.276 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.334 4.632 -1.826 1.00 0.00 C ATOM 1134 C PHE A 118 -5.093 5.447 -1.437 1.00 0.00 C ATOM 1135 O PHE A 118 -3.958 5.014 -1.660 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.365 3.262 -1.068 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.441 3.345 0.470 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.300 3.602 1.240 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.647 3.140 1.148 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.365 3.657 2.621 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.704 3.194 2.532 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.565 3.450 3.265 1.00 0.00 C ATOM 0 H PHE A 118 -6.052 3.439 -3.526 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.235 5.182 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.222 2.691 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.472 2.699 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.352 3.760 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.546 2.937 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.474 3.863 3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.645 3.035 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.613 3.488 4.343 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.331 6.636 -0.878 1.00 0.00 N ATOM 1153 CA LYS A 119 -4.274 7.519 -0.387 1.00 0.00 C ATOM 1154 C LYS A 119 -3.656 6.895 0.870 1.00 0.00 C ATOM 1155 O LYS A 119 -4.219 7.012 1.961 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.877 8.907 -0.058 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.883 9.944 0.529 1.00 0.00 C ATOM 1158 CD LYS A 119 -4.580 11.024 1.395 1.00 0.00 C ATOM 1159 CE LYS A 119 -5.233 10.436 2.674 1.00 0.00 C ATOM 1160 NZ LYS A 119 -5.877 11.476 3.511 1.00 0.00 N ATOM 0 H LYS A 119 -6.270 7.014 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.501 7.644 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.311 9.320 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.694 8.770 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.139 9.425 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.348 10.429 -0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.850 11.782 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.343 11.525 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.976 9.691 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.474 9.920 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.298 11.033 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.165 12.174 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.621 11.952 2.962 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.539 6.175 0.709 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.815 5.590 1.841 1.00 0.00 C ATOM 1176 C ALA A 120 -0.833 6.621 2.409 1.00 0.00 C ATOM 1177 O ALA A 120 0.220 6.905 1.816 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.081 4.311 1.435 1.00 0.00 C ATOM 0 H ALA A 120 -2.116 5.984 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.538 5.318 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.555 3.904 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.801 3.578 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.363 4.538 0.647 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.236 7.216 3.531 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.361 8.043 4.369 1.00 0.00 C ATOM 1186 C ARG A 121 0.784 7.185 4.924 1.00 0.00 C ATOM 1187 O ARG A 121 1.944 7.604 4.947 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.180 8.660 5.541 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.327 9.409 6.592 1.00 0.00 C ATOM 1190 CD ARG A 121 -1.169 10.100 7.669 1.00 0.00 C ATOM 1191 NE ARG A 121 -0.341 10.944 8.547 1.00 0.00 N ATOM 1192 CZ ARG A 121 -0.747 12.081 9.132 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -1.987 12.526 8.982 1.00 0.00 N ATOM 1194 NH2 ARG A 121 0.097 12.768 9.857 1.00 0.00 N ATOM 0 H ARG A 121 -2.188 7.138 3.889 1.00 0.00 H new ATOM 0 HA ARG A 121 0.057 8.850 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.916 9.350 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.733 7.864 6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.353 8.703 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.289 10.154 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.937 10.711 7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.684 9.348 8.267 1.00 0.00 H new ATOM 0 HE ARG A 121 0.616 10.640 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.652 12.001 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.276 13.393 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.055 12.438 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.203 13.634 10.306 1.00 0.00 H new ATOM 1208 N THR A 122 0.428 5.968 5.337 1.00 0.00 N ATOM 1209 CA THR A 122 1.311 5.087 6.105 1.00 0.00 C ATOM 1210 C THR A 122 1.234 3.659 5.537 1.00 0.00 C ATOM 1211 O THR A 122 0.157 3.211 5.109 1.00 0.00 O ATOM 1212 CB THR A 122 0.890 5.106 7.620 1.00 0.00 C ATOM 1213 OG1 THR A 122 0.435 6.420 7.970 1.00 0.00 O ATOM 1214 CG2 THR A 122 2.050 4.737 8.556 1.00 0.00 C ATOM 0 H THR A 122 -0.488 5.562 5.147 1.00 0.00 H new ATOM 0 HA THR A 122 2.340 5.438 6.027 1.00 0.00 H new ATOM 0 HB THR A 122 0.101 4.364 7.743 1.00 0.00 H new ATOM 0 HG1 THR A 122 0.170 6.434 8.913 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.706 4.765 9.590 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.404 3.734 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.864 5.450 8.425 1.00 0.00 H new ATOM 1222 N LEU A 123 2.379 2.959 5.533 1.00 0.00 N ATOM 1223 CA LEU A 123 2.491 1.575 5.049 1.00 0.00 C ATOM 1224 C LEU A 123 3.347 0.781 6.038 1.00 0.00 C ATOM 1225 O LEU A 123 4.478 1.176 6.340 1.00 0.00 O ATOM 1226 CB LEU A 123 3.140 1.537 3.638 1.00 0.00 C ATOM 1227 CG LEU A 123 3.197 0.149 2.925 1.00 0.00 C ATOM 1228 CD1 LEU A 123 1.783 -0.334 2.539 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.131 0.193 1.694 1.00 0.00 C ATOM 0 H LEU A 123 3.262 3.342 5.869 1.00 0.00 H new ATOM 0 HA LEU A 123 1.496 1.136 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.594 2.227 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.158 1.917 3.722 1.00 0.00 H new ATOM 0 HG LEU A 123 3.613 -0.572 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.852 -1.303 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.173 -0.428 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.324 0.387 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.151 -0.787 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.763 0.934 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.138 0.463 2.011 1.00 0.00 H new ATOM 1241 N MET A 124 2.803 -0.327 6.534 1.00 0.00 N ATOM 1242 CA MET A 124 3.496 -1.241 7.455 1.00 0.00 C ATOM 1243 C MET A 124 3.541 -2.628 6.812 1.00 0.00 C ATOM 1244 O MET A 124 2.676 -2.952 6.017 1.00 0.00 O ATOM 1245 CB MET A 124 2.717 -1.308 8.802 1.00 0.00 C ATOM 1246 CG MET A 124 3.385 -2.127 9.924 1.00 0.00 C ATOM 1247 SD MET A 124 2.251 -2.524 11.286 1.00 0.00 S ATOM 1248 CE MET A 124 1.576 -0.918 11.724 1.00 0.00 C ATOM 0 H MET A 124 1.854 -0.625 6.308 1.00 0.00 H new ATOM 0 HA MET A 124 4.509 -0.888 7.650 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.564 -0.291 9.162 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.730 -1.729 8.609 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.779 -3.053 9.505 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.235 -1.569 10.317 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.996 -1.005 12.643 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.391 -0.210 11.876 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.931 -0.563 10.920 1.00 0.00 H new ATOM 1258 N THR A 125 4.554 -3.425 7.136 1.00 0.00 N ATOM 1259 CA THR A 125 4.588 -4.859 6.795 1.00 0.00 C ATOM 1260 C THR A 125 4.396 -5.670 8.085 1.00 0.00 C ATOM 1261 O THR A 125 4.838 -5.244 9.162 1.00 0.00 O ATOM 1262 CB THR A 125 5.935 -5.244 6.107 1.00 0.00 C ATOM 1263 OG1 THR A 125 7.038 -4.918 6.968 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.104 -4.522 4.759 1.00 0.00 C ATOM 0 H THR A 125 5.379 -3.103 7.643 1.00 0.00 H new ATOM 0 HA THR A 125 3.788 -5.081 6.089 1.00 0.00 H new ATOM 0 HB THR A 125 5.918 -6.318 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.798 -4.617 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 125 7.052 -4.813 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.285 -4.797 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.094 -3.444 4.920 1.00 0.00 H new ATOM 1272 N LYS A 126 3.716 -6.818 7.990 1.00 0.00 N ATOM 1273 CA LYS A 126 3.487 -7.700 9.147 1.00 0.00 C ATOM 1274 C LYS A 126 4.680 -8.653 9.336 1.00 0.00 C ATOM 1275 O LYS A 126 5.050 -8.987 10.468 1.00 0.00 O ATOM 1276 CB LYS A 126 2.175 -8.503 8.961 1.00 0.00 C ATOM 1277 CG LYS A 126 0.921 -7.645 8.692 1.00 0.00 C ATOM 1278 CD LYS A 126 -0.357 -8.505 8.610 1.00 0.00 C ATOM 1279 CE LYS A 126 -1.581 -7.709 8.137 1.00 0.00 C ATOM 1280 NZ LYS A 126 -2.785 -8.571 8.038 1.00 0.00 N ATOM 0 H LYS A 126 3.311 -7.162 7.119 1.00 0.00 H new ATOM 0 HA LYS A 126 3.391 -7.084 10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.306 -9.199 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.003 -9.102 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.810 -6.905 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.050 -7.096 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.186 -9.338 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.565 -8.933 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.774 -6.890 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -1.372 -7.261 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.605 -7.992 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.627 -9.307 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.968 -9.018 8.959 1.00 0.00 H new