USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ -173:sc= -3.28 (180deg=-3.43) USER MOD Set 1.2: A 185 SER OG : rot 8:sc= 0.292 USER MOD Set 2.1: A 18 THR OG1 : rot 148:sc= 0.272 USER MOD Set 2.2: A 20 TYR OH : rot 180:sc= 0.289 USER MOD Set 2.3: A 61 GLN : amide:sc= -0.199 K(o=0.36,f=-1.8!) USER MOD Single : A 60 TYR OH : rot -102:sc= 0.461 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 129:sc= 0.00472 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc=-0.00782 X(o=-0.0078,f=-0.0078) USER MOD Single : A 97 THR OG1 : rot -160:sc= -0.784 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -0.0789 (180deg=-0.713) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -130:sc= -0.232 (180deg=-3.07!) USER MOD Single : A 142 SER OG : rot 33:sc= 0.437 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 SER OG : rot 100:sc= -0.0237 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.455 -4.511 -11.729 1.00 0.00 N ATOM 276 CA THR A 18 12.494 -4.236 -10.297 1.00 0.00 C ATOM 277 C THR A 18 11.160 -4.579 -9.643 1.00 0.00 C ATOM 278 O THR A 18 10.125 -4.629 -10.309 1.00 0.00 O ATOM 279 CB THR A 18 12.836 -2.767 -10.048 1.00 0.00 C ATOM 280 OG1 THR A 18 11.873 -1.919 -10.646 1.00 0.00 O ATOM 281 CG2 THR A 18 14.195 -2.369 -10.583 1.00 0.00 C ATOM 0 HA THR A 18 13.268 -4.861 -9.852 1.00 0.00 H new ATOM 0 HB THR A 18 12.843 -2.653 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.773 -1.106 -10.107 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.374 -1.315 -10.373 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.966 -2.971 -10.102 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.225 -2.534 -11.660 1.00 0.00 H new ATOM 289 N TRP A 19 11.189 -4.815 -8.336 1.00 0.00 N ATOM 290 CA TRP A 19 9.981 -5.153 -7.593 1.00 0.00 C ATOM 291 C TRP A 19 9.964 -4.460 -6.233 1.00 0.00 C ATOM 292 O TRP A 19 10.986 -4.391 -5.549 1.00 0.00 O ATOM 293 CB TRP A 19 9.879 -6.668 -7.406 1.00 0.00 C ATOM 294 CG TRP A 19 9.089 -7.345 -8.483 1.00 0.00 C ATOM 295 CD1 TRP A 19 9.524 -7.685 -9.731 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.721 -7.765 -8.407 1.00 0.00 C ATOM 297 NE1 TRP A 19 8.513 -8.292 -10.436 1.00 0.00 N ATOM 298 CE2 TRP A 19 7.396 -8.353 -9.644 1.00 0.00 C ATOM 299 CE3 TRP A 19 6.740 -7.703 -7.413 1.00 0.00 C ATOM 300 CZ2 TRP A 19 6.132 -8.872 -9.912 1.00 0.00 C ATOM 301 CZ3 TRP A 19 5.487 -8.219 -7.681 1.00 0.00 C ATOM 302 CH2 TRP A 19 5.192 -8.798 -8.921 1.00 0.00 C ATOM 0 H TRP A 19 12.036 -4.778 -7.769 1.00 0.00 H new ATOM 0 HA TRP A 19 9.123 -4.805 -8.168 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.883 -7.092 -7.380 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.419 -6.878 -6.441 1.00 0.00 H new ATOM 0 HD1 TRP A 19 10.519 -7.503 -10.110 1.00 0.00 H new ATOM 0 HE1 TRP A 19 8.582 -8.640 -11.392 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.958 -7.260 -6.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 5.902 -9.317 -10.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.721 -8.175 -6.921 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.203 -9.194 -9.099 1.00 0.00 H new ATOM 313 N TYR A 20 8.799 -3.953 -5.850 1.00 0.00 N ATOM 314 CA TYR A 20 8.646 -3.267 -4.572 1.00 0.00 C ATOM 315 C TYR A 20 7.421 -3.786 -3.825 1.00 0.00 C ATOM 316 O TYR A 20 6.356 -3.969 -4.413 1.00 0.00 O ATOM 317 CB TYR A 20 8.524 -1.757 -4.788 1.00 0.00 C ATOM 318 CG TYR A 20 9.496 -1.207 -5.809 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.349 -1.494 -7.161 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.560 -0.403 -5.420 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.235 -0.995 -8.095 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.450 0.101 -6.350 1.00 0.00 C ATOM 323 CZ TYR A 20 11.283 -0.198 -7.686 1.00 0.00 C ATOM 324 OH TYR A 20 12.168 0.301 -8.614 1.00 0.00 O ATOM 0 H TYR A 20 7.945 -4.004 -6.406 1.00 0.00 H new ATOM 0 HA TYR A 20 9.532 -3.468 -3.970 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.507 -1.526 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.684 -1.249 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.529 -2.117 -7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.694 -0.168 -4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.108 -1.228 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.272 0.726 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 20 12.846 0.844 -8.160 1.00 0.00 H new ATOM 334 N ALA A 21 7.579 -4.025 -2.527 1.00 0.00 N ATOM 335 CA ALA A 21 6.482 -4.526 -1.707 1.00 0.00 C ATOM 336 C ALA A 21 6.562 -3.985 -0.283 1.00 0.00 C ATOM 337 O ALA A 21 7.651 -3.782 0.255 1.00 0.00 O ATOM 338 CB ALA A 21 6.487 -6.048 -1.696 1.00 0.00 C ATOM 0 H ALA A 21 8.453 -3.880 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 21 5.547 -4.177 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.663 -6.410 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.370 -6.420 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.431 -6.406 -1.286 1.00 0.00 H new ATOM 344 N GLY A 22 5.400 -3.756 0.321 1.00 0.00 N ATOM 345 CA GLY A 22 5.359 -3.242 1.677 1.00 0.00 C ATOM 346 C GLY A 22 3.943 -3.013 2.168 1.00 0.00 C ATOM 347 O GLY A 22 2.979 -3.299 1.458 1.00 0.00 O ATOM 0 H GLY A 22 4.487 -3.917 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.862 -3.943 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.913 -2.304 1.724 1.00 0.00 H new ATOM 351 N GLY A 23 3.817 -2.496 3.385 1.00 0.00 N ATOM 352 CA GLY A 23 2.504 -2.237 3.948 1.00 0.00 C ATOM 353 C GLY A 23 2.451 -0.931 4.716 1.00 0.00 C ATOM 354 O GLY A 23 3.458 -0.493 5.278 1.00 0.00 O ATOM 0 H GLY A 23 4.600 -2.252 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.766 -2.214 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.228 -3.057 4.611 1.00 0.00 H new ATOM 358 N LYS A 24 1.277 -0.305 4.740 1.00 0.00 N ATOM 359 CA LYS A 24 1.106 0.960 5.444 1.00 0.00 C ATOM 360 C LYS A 24 -0.183 0.967 6.262 1.00 0.00 C ATOM 361 O LYS A 24 -1.142 0.267 5.941 1.00 0.00 O ATOM 362 CB LYS A 24 1.097 2.127 4.452 1.00 0.00 C ATOM 363 CG LYS A 24 2.101 1.976 3.319 1.00 0.00 C ATOM 364 CD LYS A 24 1.921 3.057 2.266 1.00 0.00 C ATOM 365 CE LYS A 24 2.085 4.447 2.859 1.00 0.00 C ATOM 366 NZ LYS A 24 0.778 5.033 3.269 1.00 0.00 N ATOM 0 H LYS A 24 0.434 -0.652 4.282 1.00 0.00 H new ATOM 0 HA LYS A 24 1.948 1.076 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.097 2.224 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.307 3.051 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.113 2.023 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.986 0.995 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.649 2.913 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.932 2.967 1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.748 4.397 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.562 5.100 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.916 6.023 3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.114 4.995 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.390 4.491 4.067 1.00 0.00 H new ATOM 380 N LEU A 25 -0.191 1.770 7.321 1.00 0.00 N ATOM 381 CA LEU A 25 -1.354 1.882 8.194 1.00 0.00 C ATOM 382 C LEU A 25 -1.809 3.335 8.296 1.00 0.00 C ATOM 383 O LEU A 25 -0.995 4.258 8.229 1.00 0.00 O ATOM 384 CB LEU A 25 -1.026 1.332 9.587 1.00 0.00 C ATOM 385 CG LEU A 25 -2.091 1.583 10.659 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.358 0.796 10.356 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.553 1.225 12.037 1.00 0.00 C ATOM 0 H LEU A 25 0.598 2.355 7.596 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.166 1.294 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.863 0.257 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.087 1.773 9.921 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.341 2.644 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.100 0.989 11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.754 1.103 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.128 -0.269 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.322 1.409 12.787 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.273 0.172 12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.678 1.837 12.256 1.00 0.00 H new ATOM 399 N GLY A 26 -3.114 3.528 8.458 1.00 0.00 N ATOM 400 CA GLY A 26 -3.657 4.869 8.567 1.00 0.00 C ATOM 401 C GLY A 26 -4.926 4.915 9.395 1.00 0.00 C ATOM 402 O GLY A 26 -5.431 3.879 9.826 1.00 0.00 O ATOM 0 H GLY A 26 -3.805 2.780 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.910 5.525 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.864 5.256 7.569 1.00 0.00 H new ATOM 799 N GLY A 53 -6.987 1.513 9.897 1.00 0.00 N ATOM 800 CA GLY A 53 -7.061 0.703 8.695 1.00 0.00 C ATOM 801 C GLY A 53 -5.692 0.285 8.193 1.00 0.00 C ATOM 802 O GLY A 53 -4.794 1.117 8.057 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.658 -0.186 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.576 1.263 7.914 1.00 0.00 H new ATOM 806 N ALA A 54 -5.534 -1.006 7.915 1.00 0.00 N ATOM 807 CA ALA A 54 -4.266 -1.531 7.424 1.00 0.00 C ATOM 808 C ALA A 54 -4.359 -1.879 5.945 1.00 0.00 C ATOM 809 O ALA A 54 -5.317 -2.516 5.507 1.00 0.00 O ATOM 810 CB ALA A 54 -3.850 -2.750 8.233 1.00 0.00 C ATOM 0 H ALA A 54 -6.268 -1.706 8.022 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.507 -0.758 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.901 -3.131 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.737 -2.470 9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.613 -3.523 8.144 1.00 0.00 H new ATOM 816 N GLY A 55 -3.362 -1.457 5.175 1.00 0.00 N ATOM 817 CA GLY A 55 -3.364 -1.739 3.754 1.00 0.00 C ATOM 818 C GLY A 55 -1.993 -2.111 3.225 1.00 0.00 C ATOM 819 O GLY A 55 -0.992 -1.495 3.586 1.00 0.00 O ATOM 0 H GLY A 55 -2.557 -0.927 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.059 -2.553 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.731 -0.865 3.216 1.00 0.00 H new ATOM 823 N ALA A 56 -1.953 -3.120 2.361 1.00 0.00 N ATOM 824 CA ALA A 56 -0.700 -3.572 1.772 1.00 0.00 C ATOM 825 C ALA A 56 -0.530 -2.999 0.371 1.00 0.00 C ATOM 826 O ALA A 56 -1.503 -2.836 -0.366 1.00 0.00 O ATOM 827 CB ALA A 56 -0.653 -5.093 1.736 1.00 0.00 C ATOM 0 H ALA A 56 -2.775 -3.640 2.054 1.00 0.00 H new ATOM 0 HA ALA A 56 0.123 -3.213 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.289 -5.418 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.731 -5.484 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.483 -5.469 1.138 1.00 0.00 H new ATOM 833 N PHE A 57 0.710 -2.688 0.004 1.00 0.00 N ATOM 834 CA PHE A 57 0.990 -2.126 -1.310 1.00 0.00 C ATOM 835 C PHE A 57 2.214 -2.778 -1.943 1.00 0.00 C ATOM 836 O PHE A 57 3.251 -2.941 -1.299 1.00 0.00 O ATOM 837 CB PHE A 57 1.199 -0.614 -1.204 1.00 0.00 C ATOM 838 CG PHE A 57 0.022 0.109 -0.613 1.00 0.00 C ATOM 839 CD1 PHE A 57 -1.214 0.074 -1.239 1.00 0.00 C ATOM 840 CD2 PHE A 57 0.151 0.819 0.570 1.00 0.00 C ATOM 841 CE1 PHE A 57 -2.300 0.735 -0.696 1.00 0.00 C ATOM 842 CE2 PHE A 57 -0.932 1.483 1.116 1.00 0.00 C ATOM 843 CZ PHE A 57 -2.158 1.440 0.483 1.00 0.00 C ATOM 0 H PHE A 57 1.531 -2.815 0.595 1.00 0.00 H new ATOM 0 HA PHE A 57 0.131 -2.327 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.081 -0.418 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.403 -0.212 -2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.330 -0.476 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.107 0.854 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.258 0.700 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.819 2.035 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.005 1.957 0.909 1.00 0.00 H new ATOM 853 N GLY A 58 2.082 -3.147 -3.213 1.00 0.00 N ATOM 854 CA GLY A 58 3.177 -3.775 -3.929 1.00 0.00 C ATOM 855 C GLY A 58 3.140 -3.460 -5.410 1.00 0.00 C ATOM 856 O GLY A 58 2.122 -3.665 -6.069 1.00 0.00 O ATOM 0 H GLY A 58 1.231 -3.021 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.125 -3.438 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.132 -4.855 -3.787 1.00 0.00 H new ATOM 860 N GLY A 59 4.251 -2.953 -5.937 1.00 0.00 N ATOM 861 CA GLY A 59 4.308 -2.612 -7.346 1.00 0.00 C ATOM 862 C GLY A 59 5.466 -3.276 -8.066 1.00 0.00 C ATOM 863 O GLY A 59 6.350 -3.855 -7.434 1.00 0.00 O ATOM 0 H GLY A 59 5.109 -2.773 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.373 -2.905 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.394 -1.530 -7.450 1.00 0.00 H new ATOM 867 N TYR A 60 5.458 -3.188 -9.392 1.00 0.00 N ATOM 868 CA TYR A 60 6.512 -3.779 -10.206 1.00 0.00 C ATOM 869 C TYR A 60 6.762 -2.945 -11.459 1.00 0.00 C ATOM 870 O TYR A 60 5.821 -2.514 -12.127 1.00 0.00 O ATOM 871 CB TYR A 60 6.140 -5.210 -10.597 1.00 0.00 C ATOM 872 CG TYR A 60 4.849 -5.310 -11.378 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.827 -5.101 -12.752 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.651 -5.613 -10.742 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.649 -5.190 -13.469 1.00 0.00 C ATOM 876 CE2 TYR A 60 2.470 -5.705 -11.452 1.00 0.00 C ATOM 877 CZ TYR A 60 2.474 -5.492 -12.815 1.00 0.00 C ATOM 878 OH TYR A 60 1.299 -5.585 -13.525 1.00 0.00 O ATOM 0 H TYR A 60 4.731 -2.712 -9.926 1.00 0.00 H new ATOM 0 HA TYR A 60 7.428 -3.798 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.948 -5.637 -11.191 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.056 -5.814 -9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.746 -4.865 -13.268 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.643 -5.779 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.649 -5.024 -14.536 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.548 -5.943 -10.943 1.00 0.00 H new ATOM 0 HH TYR A 60 0.774 -4.768 -13.397 1.00 0.00 H new ATOM 888 N GLN A 61 8.033 -2.722 -11.770 1.00 0.00 N ATOM 889 CA GLN A 61 8.409 -1.939 -12.941 1.00 0.00 C ATOM 890 C GLN A 61 8.527 -2.829 -14.174 1.00 0.00 C ATOM 891 O GLN A 61 9.084 -3.925 -14.109 1.00 0.00 O ATOM 892 CB GLN A 61 9.731 -1.213 -12.693 1.00 0.00 C ATOM 893 CG GLN A 61 9.847 0.111 -13.429 1.00 0.00 C ATOM 894 CD GLN A 61 11.284 0.484 -13.736 1.00 0.00 C ATOM 895 OE1 GLN A 61 12.185 -0.351 -13.655 1.00 0.00 O ATOM 896 NE2 GLN A 61 11.506 1.745 -14.089 1.00 0.00 N ATOM 0 H GLN A 61 8.822 -3.073 -11.227 1.00 0.00 H new ATOM 0 HA GLN A 61 7.627 -1.201 -13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.843 -1.035 -11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.554 -1.861 -12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.283 0.055 -14.360 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.392 0.898 -12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.729 2.404 -14.143 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.453 2.055 -14.306 1.00 0.00 H new ATOM 970 N LEU A 66 7.212 3.958 -15.919 1.00 0.00 N ATOM 971 CA LEU A 66 6.313 3.778 -14.783 1.00 0.00 C ATOM 972 C LEU A 66 6.130 2.300 -14.455 1.00 0.00 C ATOM 973 O LEU A 66 6.450 1.429 -15.263 1.00 0.00 O ATOM 974 CB LEU A 66 4.954 4.415 -15.083 1.00 0.00 C ATOM 975 CG LEU A 66 4.472 4.260 -16.528 1.00 0.00 C ATOM 976 CD1 LEU A 66 3.027 3.784 -16.565 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.621 5.572 -17.286 1.00 0.00 C ATOM 0 HA LEU A 66 6.760 4.268 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.209 3.977 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.007 5.477 -14.845 1.00 0.00 H new ATOM 0 HG LEU A 66 5.093 3.508 -17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.704 3.680 -17.601 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.949 2.820 -16.062 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.392 4.510 -16.058 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.273 5.442 -18.311 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.027 6.344 -16.797 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.669 5.871 -17.294 1.00 0.00 H new ATOM 989 N GLY A 67 5.609 2.026 -13.262 1.00 0.00 N ATOM 990 CA GLY A 67 5.387 0.653 -12.846 1.00 0.00 C ATOM 991 C GLY A 67 3.989 0.430 -12.308 1.00 0.00 C ATOM 992 O GLY A 67 3.313 1.377 -11.905 1.00 0.00 O ATOM 0 H GLY A 67 5.337 2.731 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.558 -0.012 -13.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.115 0.387 -12.080 1.00 0.00 H new ATOM 996 N PHE A 68 3.552 -0.825 -12.299 1.00 0.00 N ATOM 997 CA PHE A 68 2.224 -1.169 -11.804 1.00 0.00 C ATOM 998 C PHE A 68 2.228 -1.282 -10.283 1.00 0.00 C ATOM 999 O PHE A 68 3.213 -1.722 -9.691 1.00 0.00 O ATOM 1000 CB PHE A 68 1.749 -2.485 -12.425 1.00 0.00 C ATOM 1001 CG PHE A 68 0.305 -2.469 -12.836 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.088 -1.851 -14.012 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.662 -3.071 -12.045 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.417 -1.835 -14.393 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.992 -3.058 -12.421 1.00 0.00 C ATOM 1006 CZ PHE A 68 -2.369 -2.439 -13.596 1.00 0.00 C ATOM 0 H PHE A 68 4.098 -1.621 -12.629 1.00 0.00 H new ATOM 0 HA PHE A 68 1.537 -0.373 -12.091 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.364 -2.708 -13.297 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.906 -3.292 -11.709 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.652 -1.376 -14.639 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.372 -3.556 -11.124 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.710 -1.351 -15.313 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.735 -3.531 -11.797 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.408 -2.427 -13.892 1.00 0.00 H new ATOM 1016 N GLU A 69 1.129 -0.879 -9.656 1.00 0.00 N ATOM 1017 CA GLU A 69 1.020 -0.937 -8.204 1.00 0.00 C ATOM 1018 C GLU A 69 -0.308 -1.554 -7.778 1.00 0.00 C ATOM 1019 O GLU A 69 -1.377 -1.117 -8.207 1.00 0.00 O ATOM 1020 CB GLU A 69 1.162 0.466 -7.609 1.00 0.00 C ATOM 1021 CG GLU A 69 2.231 0.563 -6.531 1.00 0.00 C ATOM 1022 CD GLU A 69 1.758 0.034 -5.191 1.00 0.00 C ATOM 1023 OE1 GLU A 69 0.919 -0.892 -5.181 1.00 0.00 O ATOM 1024 OE2 GLU A 69 2.225 0.546 -4.153 1.00 0.00 O ATOM 0 H GLU A 69 0.304 -0.510 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 69 1.825 -1.569 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.398 1.169 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.204 0.772 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.112 0.005 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.536 1.604 -6.420 1.00 0.00 H new ATOM 1031 N MET A 70 -0.230 -2.571 -6.924 1.00 0.00 N ATOM 1032 CA MET A 70 -1.422 -3.248 -6.428 1.00 0.00 C ATOM 1033 C MET A 70 -1.647 -2.920 -4.957 1.00 0.00 C ATOM 1034 O MET A 70 -0.717 -2.972 -4.152 1.00 0.00 O ATOM 1035 CB MET A 70 -1.294 -4.762 -6.615 1.00 0.00 C ATOM 1036 CG MET A 70 -0.040 -5.349 -5.987 1.00 0.00 C ATOM 1037 SD MET A 70 -0.295 -7.023 -5.367 1.00 0.00 S ATOM 1038 CE MET A 70 0.058 -7.987 -6.836 1.00 0.00 C ATOM 0 H MET A 70 0.648 -2.944 -6.561 1.00 0.00 H new ATOM 0 HA MET A 70 -2.280 -2.896 -7.001 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.169 -5.248 -6.183 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.297 -4.990 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.762 -5.357 -6.725 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.286 -4.708 -5.168 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.057 -9.047 -6.612 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.634 -7.707 -7.630 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.080 -7.794 -7.161 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.883 -2.578 -4.611 1.00 0.00 N ATOM 1049 CA GLY A 71 -3.197 -2.241 -3.236 1.00 0.00 C ATOM 1050 C GLY A 71 -4.059 -3.287 -2.558 1.00 0.00 C ATOM 1051 O GLY A 71 -4.835 -3.985 -3.211 1.00 0.00 O ATOM 0 H GLY A 71 -3.671 -2.528 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.270 -2.121 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.711 -1.280 -3.210 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.925 -3.391 -1.240 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.698 -4.355 -0.465 1.00 0.00 C ATOM 1057 C TYR A 72 -5.363 -3.674 0.726 1.00 0.00 C ATOM 1058 O TYR A 72 -4.684 -3.135 1.599 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.798 -5.492 0.021 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.504 -6.529 -1.040 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.529 -7.105 -1.779 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.199 -6.932 -1.301 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -4.265 -8.054 -2.749 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.927 -7.881 -2.270 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.963 -8.438 -2.990 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.695 -9.381 -3.954 1.00 0.00 O ATOM 0 H TYR A 72 -3.288 -2.819 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.473 -4.769 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.857 -5.072 0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.272 -5.980 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.550 -6.806 -1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.386 -6.498 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.074 -8.492 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.908 -8.184 -2.462 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.005 -9.041 -4.561 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.691 -3.696 0.753 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.443 -3.074 1.838 1.00 0.00 C ATOM 1078 C ASP A 73 -7.798 -4.094 2.917 1.00 0.00 C ATOM 1079 O ASP A 73 -8.454 -5.100 2.641 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.717 -2.426 1.296 1.00 0.00 C ATOM 1081 CG ASP A 73 -9.024 -1.102 1.969 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.222 -0.158 1.818 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -10.069 -1.011 2.649 1.00 0.00 O ATOM 0 H ASP A 73 -7.269 -4.137 0.037 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.812 -2.306 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.613 -2.269 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.557 -3.106 1.439 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.360 -3.824 4.144 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.630 -4.712 5.268 1.00 0.00 C ATOM 1090 C TRP A 74 -7.980 -3.918 6.523 1.00 0.00 C ATOM 1091 O TRP A 74 -7.223 -3.045 6.953 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.419 -5.606 5.539 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.789 -6.973 6.028 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.251 -7.303 7.270 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.726 -8.196 5.286 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.479 -8.656 7.345 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -7.166 -9.226 6.139 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -6.343 -8.521 3.981 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -7.232 -10.556 5.730 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -6.408 -9.840 3.576 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -6.851 -10.845 4.448 1.00 0.00 C ATOM 0 H TRP A 74 -6.816 -2.995 4.384 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.485 -5.335 5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.834 -5.701 4.624 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.779 -5.124 6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.414 -6.603 8.076 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.825 -9.155 8.165 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.002 -7.754 3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.572 -11.331 6.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.113 -10.102 2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -6.892 -11.867 4.101 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.089 -8.266 1.889 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.753 -8.149 1.319 1.00 0.00 C ATOM 1363 C GLN A 92 -10.739 -7.124 0.190 1.00 0.00 C ATOM 1364 O GLN A 92 -11.517 -7.222 -0.759 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.278 -9.506 0.797 1.00 0.00 C ATOM 1366 CG GLN A 92 -11.153 -10.072 -0.311 1.00 0.00 C ATOM 1367 CD GLN A 92 -11.237 -11.585 -0.272 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -12.207 -12.151 0.234 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -10.220 -12.248 -0.807 1.00 0.00 N ATOM 0 HA GLN A 92 -10.075 -7.813 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.257 -9.407 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.250 -10.215 1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.156 -9.654 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.758 -9.759 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.437 -11.738 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.221 -13.268 -0.810 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.855 -6.138 0.299 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.769 -5.110 -0.722 1.00 0.00 C ATOM 1380 C GLY A 93 -8.619 -5.328 -1.684 1.00 0.00 C ATOM 1381 O GLY A 93 -7.500 -5.631 -1.269 1.00 0.00 O ATOM 0 H GLY A 93 -9.199 -6.032 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.704 -5.082 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.655 -4.138 -0.243 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.895 -5.159 -2.974 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.878 -5.321 -4.008 1.00 0.00 C ATOM 1387 C VAL A 94 -7.853 -4.097 -4.915 1.00 0.00 C ATOM 1388 O VAL A 94 -8.846 -3.775 -5.566 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.115 -6.587 -4.863 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.332 -7.763 -4.305 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.598 -6.922 -4.946 1.00 0.00 C ATOM 0 H VAL A 94 -9.818 -4.909 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.919 -5.431 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.759 -6.383 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.512 -8.645 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.268 -7.527 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.654 -7.962 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.735 -7.817 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.987 -7.100 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.134 -6.089 -5.401 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.719 -3.401 -4.937 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.582 -2.197 -5.748 1.00 0.00 C ATOM 1403 C GLN A 95 -5.664 -2.418 -6.944 1.00 0.00 C ATOM 1404 O GLN A 95 -4.679 -3.154 -6.865 1.00 0.00 O ATOM 1405 CB GLN A 95 -6.049 -1.047 -4.892 1.00 0.00 C ATOM 1406 CG GLN A 95 -7.133 -0.116 -4.378 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.658 0.759 -3.235 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -7.064 0.575 -2.087 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.793 1.718 -3.543 1.00 0.00 N ATOM 0 H GLN A 95 -5.885 -3.650 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.571 -1.944 -6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.504 -1.460 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.335 -0.470 -5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.480 0.517 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.987 -0.707 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.483 1.835 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.438 2.338 -2.815 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.993 -1.757 -8.049 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.212 -1.844 -9.275 1.00 0.00 C ATOM 1420 C LEU A 96 -4.918 -0.437 -9.785 1.00 0.00 C ATOM 1421 O LEU A 96 -5.829 0.271 -10.217 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.977 -2.647 -10.331 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.350 -2.665 -11.730 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.339 -4.080 -12.291 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.102 -1.727 -12.665 1.00 0.00 C ATOM 0 H LEU A 96 -6.808 -1.147 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.271 -2.355 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.072 -3.675 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.986 -2.242 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.320 -2.318 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.891 -4.074 -13.284 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.758 -4.727 -11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.361 -4.453 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.643 -1.753 -13.653 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.142 -2.045 -12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.060 -0.711 -12.272 1.00 0.00 H new ATOM 1437 N THR A 97 -3.657 -0.018 -9.710 1.00 0.00 N ATOM 1438 CA THR A 97 -3.296 1.324 -10.145 1.00 0.00 C ATOM 1439 C THR A 97 -1.868 1.389 -10.666 1.00 0.00 C ATOM 1440 O THR A 97 -1.088 0.449 -10.510 1.00 0.00 O ATOM 1441 CB THR A 97 -3.461 2.312 -8.984 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.296 2.338 -8.178 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.633 1.998 -8.078 1.00 0.00 C ATOM 0 H THR A 97 -2.881 -0.579 -9.358 1.00 0.00 H new ATOM 0 HA THR A 97 -3.964 1.593 -10.963 1.00 0.00 H new ATOM 0 HB THR A 97 -3.641 3.277 -9.459 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.516 2.707 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.686 2.740 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.557 2.021 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.502 1.007 -7.644 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.532 2.524 -11.270 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.196 2.746 -11.802 1.00 0.00 C ATOM 1453 C ALA A 98 0.596 3.646 -10.863 1.00 0.00 C ATOM 1454 O ALA A 98 0.081 4.657 -10.378 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.273 3.360 -13.192 1.00 0.00 C ATOM 0 H ALA A 98 -2.172 3.307 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 98 0.315 1.787 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.735 3.520 -13.576 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.812 2.686 -13.858 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.797 4.315 -13.140 1.00 0.00 H new ATOM 1461 N LYS A 99 1.839 3.268 -10.593 1.00 0.00 N ATOM 1462 CA LYS A 99 2.689 4.039 -9.695 1.00 0.00 C ATOM 1463 C LYS A 99 3.936 4.554 -10.407 1.00 0.00 C ATOM 1464 O LYS A 99 4.633 3.803 -11.092 1.00 0.00 O ATOM 1465 CB LYS A 99 3.092 3.190 -8.487 1.00 0.00 C ATOM 1466 CG LYS A 99 4.020 3.907 -7.518 1.00 0.00 C ATOM 1467 CD LYS A 99 5.305 3.125 -7.291 1.00 0.00 C ATOM 1468 CE LYS A 99 5.282 2.385 -5.963 1.00 0.00 C ATOM 1469 NZ LYS A 99 5.089 3.313 -4.813 1.00 0.00 N ATOM 0 H LYS A 99 2.280 2.435 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 99 2.114 4.901 -9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.192 2.882 -7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.581 2.282 -8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.260 4.896 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.510 4.054 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.446 2.412 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.155 3.807 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.480 1.647 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.216 1.839 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.394 2.846 -3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.655 4.173 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.084 3.569 -4.738 1.00 0.00 H new ATOM 1483 N LEU A 100 4.214 5.840 -10.223 1.00 0.00 N ATOM 1484 CA LEU A 100 5.381 6.471 -10.822 1.00 0.00 C ATOM 1485 C LEU A 100 6.131 7.280 -9.772 1.00 0.00 C ATOM 1486 O LEU A 100 5.567 8.179 -9.148 1.00 0.00 O ATOM 1487 CB LEU A 100 4.968 7.370 -11.992 1.00 0.00 C ATOM 1488 CG LEU A 100 4.241 8.659 -11.603 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.239 9.783 -11.357 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.248 9.056 -12.684 1.00 0.00 C ATOM 0 H LEU A 100 3.642 6.468 -9.659 1.00 0.00 H new ATOM 0 HA LEU A 100 6.040 5.692 -11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.861 7.633 -12.559 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.324 6.797 -12.659 1.00 0.00 H new ATOM 0 HG LEU A 100 3.692 8.479 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.703 10.691 -11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.913 9.500 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.815 9.963 -12.264 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.740 9.975 -12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.778 9.218 -13.623 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.514 8.261 -12.814 1.00 0.00 H new ATOM 1502 N GLY A 101 7.401 6.946 -9.567 1.00 0.00 N ATOM 1503 CA GLY A 101 8.194 7.647 -8.576 1.00 0.00 C ATOM 1504 C GLY A 101 9.357 8.410 -9.177 1.00 0.00 C ATOM 1505 O GLY A 101 9.528 8.447 -10.396 1.00 0.00 O ATOM 0 H GLY A 101 7.893 6.206 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.554 8.342 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.575 6.929 -7.850 1.00 0.00 H new ATOM 1509 N TYR A 102 10.156 9.022 -8.311 1.00 0.00 N ATOM 1510 CA TYR A 102 11.316 9.795 -8.742 1.00 0.00 C ATOM 1511 C TYR A 102 12.238 10.094 -7.557 1.00 0.00 C ATOM 1512 O TYR A 102 11.811 10.692 -6.570 1.00 0.00 O ATOM 1513 CB TYR A 102 10.860 11.105 -9.389 1.00 0.00 C ATOM 1514 CG TYR A 102 11.633 11.474 -10.636 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.865 12.108 -10.549 1.00 0.00 C ATOM 1516 CD2 TYR A 102 11.129 11.187 -11.897 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.574 12.448 -11.688 1.00 0.00 C ATOM 1518 CE2 TYR A 102 11.831 11.523 -13.040 1.00 0.00 C ATOM 1519 CZ TYR A 102 13.051 12.154 -12.929 1.00 0.00 C ATOM 1520 OH TYR A 102 13.753 12.491 -14.064 1.00 0.00 O ATOM 0 H TYR A 102 10.021 8.998 -7.300 1.00 0.00 H new ATOM 0 HA TYR A 102 11.870 9.206 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 102 9.802 11.026 -9.639 1.00 0.00 H new ATOM 0 HB3 TYR A 102 10.957 11.911 -8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 102 13.276 12.339 -9.578 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.173 10.693 -11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 102 14.531 12.941 -11.605 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.425 11.292 -14.014 1.00 0.00 H new ATOM 0 HH TYR A 102 13.247 12.214 -14.856 1.00 0.00 H new ATOM 1530 N PRO A 103 13.520 9.682 -7.634 1.00 0.00 N ATOM 1531 CA PRO A 103 14.489 9.915 -6.554 1.00 0.00 C ATOM 1532 C PRO A 103 14.853 11.389 -6.408 1.00 0.00 C ATOM 1533 O PRO A 103 14.523 12.207 -7.268 1.00 0.00 O ATOM 1534 CB PRO A 103 15.724 9.105 -6.983 1.00 0.00 C ATOM 1535 CG PRO A 103 15.264 8.231 -8.102 1.00 0.00 C ATOM 1536 CD PRO A 103 14.127 8.957 -8.758 1.00 0.00 C ATOM 0 HA PRO A 103 14.086 9.618 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.531 9.763 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.110 8.511 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.071 8.049 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.942 7.258 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.475 9.635 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.422 8.269 -9.225 1.00 0.00 H new ATOM 1601 N LEU A 108 16.153 9.416 -0.904 1.00 0.00 N ATOM 1602 CA LEU A 108 14.862 10.094 -0.818 1.00 0.00 C ATOM 1603 C LEU A 108 14.172 10.086 -2.177 1.00 0.00 C ATOM 1604 O LEU A 108 14.742 10.536 -3.170 1.00 0.00 O ATOM 1605 CB LEU A 108 15.029 11.541 -0.324 1.00 0.00 C ATOM 1606 CG LEU A 108 16.427 11.921 0.177 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.666 13.411 -0.004 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.600 11.523 1.638 1.00 0.00 C ATOM 0 HA LEU A 108 14.245 9.555 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.760 12.215 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.316 11.714 0.482 1.00 0.00 H new ATOM 0 HG LEU A 108 17.165 11.378 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.663 13.666 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.586 13.667 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.921 13.970 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.599 11.801 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.856 12.037 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.470 10.446 1.739 1.00 0.00 H new ATOM 1620 N ASP A 109 12.950 9.567 -2.222 1.00 0.00 N ATOM 1621 CA ASP A 109 12.207 9.504 -3.477 1.00 0.00 C ATOM 1622 C ASP A 109 10.720 9.761 -3.263 1.00 0.00 C ATOM 1623 O ASP A 109 10.202 9.612 -2.157 1.00 0.00 O ATOM 1624 CB ASP A 109 12.401 8.138 -4.143 1.00 0.00 C ATOM 1625 CG ASP A 109 13.826 7.628 -4.035 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.311 7.455 -2.897 1.00 0.00 O ATOM 1627 OD2 ASP A 109 14.456 7.400 -5.090 1.00 0.00 O ATOM 0 H ASP A 109 12.456 9.187 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 109 12.598 10.286 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.726 7.416 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.124 8.209 -5.195 1.00 0.00 H new ATOM 1632 N ILE A 110 10.040 10.139 -4.341 1.00 0.00 N ATOM 1633 CA ILE A 110 8.609 10.407 -4.295 1.00 0.00 C ATOM 1634 C ILE A 110 7.852 9.390 -5.144 1.00 0.00 C ATOM 1635 O ILE A 110 8.413 8.812 -6.075 1.00 0.00 O ATOM 1636 CB ILE A 110 8.284 11.829 -4.797 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.704 11.993 -6.260 1.00 0.00 C ATOM 1638 CG2 ILE A 110 8.966 12.870 -3.922 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.617 12.573 -7.139 1.00 0.00 C ATOM 0 H ILE A 110 10.461 10.267 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 110 8.295 10.326 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 110 7.206 11.980 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.581 12.638 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.000 11.022 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.726 13.868 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.616 12.768 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.045 12.721 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.984 12.661 -8.161 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.746 11.917 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.336 13.559 -6.768 1.00 0.00 H new ATOM 1651 N TYR A 111 6.583 9.166 -4.815 1.00 0.00 N ATOM 1652 CA TYR A 111 5.770 8.206 -5.553 1.00 0.00 C ATOM 1653 C TYR A 111 4.327 8.682 -5.696 1.00 0.00 C ATOM 1654 O TYR A 111 3.737 9.211 -4.751 1.00 0.00 O ATOM 1655 CB TYR A 111 5.800 6.844 -4.857 1.00 0.00 C ATOM 1656 CG TYR A 111 7.164 6.193 -4.857 1.00 0.00 C ATOM 1657 CD1 TYR A 111 7.654 5.567 -5.995 1.00 0.00 C ATOM 1658 CD2 TYR A 111 7.960 6.204 -3.719 1.00 0.00 C ATOM 1659 CE1 TYR A 111 8.902 4.970 -6.001 1.00 0.00 C ATOM 1660 CE2 TYR A 111 9.208 5.610 -3.716 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.674 4.995 -4.858 1.00 0.00 C ATOM 1662 OH TYR A 111 10.916 4.401 -4.859 1.00 0.00 O ATOM 0 H TYR A 111 6.099 9.633 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 111 6.195 8.114 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.464 6.965 -3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.090 6.179 -5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.051 5.546 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.598 6.684 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.269 4.488 -6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.815 5.628 -2.823 1.00 0.00 H new ATOM 0 HH TYR A 111 11.331 4.508 -3.977 1.00 0.00 H new ATOM 1672 N THR A 112 3.767 8.478 -6.885 1.00 0.00 N ATOM 1673 CA THR A 112 2.389 8.868 -7.167 1.00 0.00 C ATOM 1674 C THR A 112 1.596 7.673 -7.684 1.00 0.00 C ATOM 1675 O THR A 112 2.015 6.997 -8.623 1.00 0.00 O ATOM 1676 CB THR A 112 2.356 10.002 -8.192 1.00 0.00 C ATOM 1677 OG1 THR A 112 3.180 11.077 -7.779 1.00 0.00 O ATOM 1678 CG2 THR A 112 0.967 10.554 -8.428 1.00 0.00 C ATOM 0 H THR A 112 4.249 8.043 -7.672 1.00 0.00 H new ATOM 0 HA THR A 112 1.933 9.219 -6.241 1.00 0.00 H new ATOM 0 HB THR A 112 2.718 9.562 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.146 11.791 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.014 11.355 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.318 9.760 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.567 10.945 -7.493 1.00 0.00 H new ATOM 1686 N ARG A 113 0.452 7.407 -7.058 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.390 6.282 -7.450 1.00 0.00 C ATOM 1688 C ARG A 113 -1.748 6.755 -7.961 1.00 0.00 C ATOM 1689 O ARG A 113 -2.446 7.513 -7.288 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.582 5.336 -6.264 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.101 3.918 -6.526 1.00 0.00 C ATOM 1692 CD ARG A 113 -0.508 2.982 -5.400 1.00 0.00 C ATOM 1693 NE ARG A 113 0.323 3.167 -4.210 1.00 0.00 N ATOM 1694 CZ ARG A 113 -0.141 3.140 -2.961 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -1.428 2.919 -2.723 1.00 0.00 N ATOM 1696 NH2 ARG A 113 0.689 3.329 -1.944 1.00 0.00 N ATOM 0 H ARG A 113 0.088 7.955 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 113 0.111 5.753 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.049 5.737 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.639 5.308 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.515 3.559 -7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.984 3.913 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.553 3.155 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.430 1.949 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 113 1.321 3.327 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.072 2.768 -3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.773 2.900 -1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.680 3.495 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.336 3.309 -0.987 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.123 6.286 -9.150 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.406 6.651 -9.750 1.00 0.00 C ATOM 1712 C LEU A 114 -4.065 5.430 -10.388 1.00 0.00 C ATOM 1713 O LEU A 114 -3.480 4.784 -11.257 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.213 7.750 -10.798 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.479 8.154 -11.561 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.463 9.642 -11.885 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.617 7.336 -12.836 1.00 0.00 C ATOM 0 H LEU A 114 -1.558 5.653 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.057 7.028 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.808 8.633 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.465 7.416 -11.518 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.339 7.951 -10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.371 9.906 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.413 10.215 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.594 9.871 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.522 7.636 -13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.750 7.507 -13.474 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.679 6.277 -12.584 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.283 5.115 -9.949 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.993 3.968 -10.492 1.00 0.00 C ATOM 1731 C GLY A 115 -7.352 3.769 -9.850 1.00 0.00 C ATOM 1732 O GLY A 115 -8.085 4.732 -9.628 1.00 0.00 O ATOM 0 H GLY A 115 -5.789 5.632 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.118 4.098 -11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.391 3.071 -10.347 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.693 2.517 -9.550 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.977 2.232 -8.937 1.00 0.00 C ATOM 1738 C GLY A 116 -8.903 1.136 -7.893 1.00 0.00 C ATOM 1739 O GLY A 116 -7.941 0.369 -7.854 1.00 0.00 O ATOM 0 H GLY A 116 -7.106 1.700 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.363 3.141 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.687 1.942 -9.711 1.00 0.00 H new ATOM 1743 N MET A 117 -9.924 1.066 -7.044 1.00 0.00 N ATOM 1744 CA MET A 117 -9.978 0.059 -5.991 1.00 0.00 C ATOM 1745 C MET A 117 -11.206 -0.831 -6.156 1.00 0.00 C ATOM 1746 O MET A 117 -12.281 -0.360 -6.535 1.00 0.00 O ATOM 1747 CB MET A 117 -9.999 0.729 -4.615 1.00 0.00 C ATOM 1748 CG MET A 117 -11.235 1.578 -4.367 1.00 0.00 C ATOM 1749 SD MET A 117 -11.675 1.667 -2.621 1.00 0.00 S ATOM 1750 CE MET A 117 -12.509 3.252 -2.562 1.00 0.00 C ATOM 0 H MET A 117 -10.726 1.696 -7.065 1.00 0.00 H new ATOM 0 HA MET A 117 -9.086 -0.563 -6.069 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.937 -0.040 -3.845 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.113 1.355 -4.512 1.00 0.00 H new ATOM 0 HG2 MET A 117 -11.062 2.585 -4.746 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.073 1.166 -4.929 1.00 0.00 H new ATOM 0 HE1 MET A 117 -12.098 3.849 -1.748 1.00 0.00 H new ATOM 0 HE2 MET A 117 -12.362 3.776 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 117 -13.575 3.096 -2.395 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.040 -2.120 -5.868 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.133 -3.078 -5.983 1.00 0.00 C ATOM 1762 C VAL A 118 -12.198 -3.972 -4.749 1.00 0.00 C ATOM 1763 O VAL A 118 -11.220 -4.631 -4.396 1.00 0.00 O ATOM 1764 CB VAL A 118 -11.988 -3.967 -7.237 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.350 -4.448 -7.709 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.263 -3.225 -8.355 1.00 0.00 C ATOM 0 H VAL A 118 -10.158 -2.524 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.052 -2.499 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.388 -4.836 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.229 -5.073 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.826 -5.027 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.974 -3.589 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.175 -3.875 -9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.827 -2.332 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.268 -2.937 -8.015 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.355 -3.992 -4.094 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.540 -4.806 -2.900 1.00 0.00 C ATOM 1778 C TRP A 119 -14.849 -5.587 -2.968 1.00 0.00 C ATOM 1779 O TRP A 119 -15.741 -5.253 -3.748 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.521 -3.928 -1.647 1.00 0.00 C ATOM 1781 CG TRP A 119 -14.580 -2.869 -1.648 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -14.429 -1.556 -1.993 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -15.956 -3.032 -1.285 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -15.625 -0.894 -1.866 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -16.579 -1.778 -1.433 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -16.722 -4.117 -0.849 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -17.930 -1.581 -1.162 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -18.064 -3.919 -0.580 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -18.656 -2.660 -0.737 1.00 0.00 C ATOM 0 H TRP A 119 -14.177 -3.454 -4.370 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.716 -5.518 -2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.649 -4.559 -0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.543 -3.454 -1.559 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.503 -1.104 -2.318 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.779 0.095 -2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.274 -5.092 -0.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -18.389 -0.611 -1.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.666 -4.750 -0.243 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -19.707 -2.538 -0.518 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.582 -0.827 -6.264 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.533 -0.293 -7.124 1.00 0.00 C ATOM 2093 C VAL A 141 -15.502 1.232 -7.067 1.00 0.00 C ATOM 2094 O VAL A 141 -16.542 1.886 -7.156 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.725 -0.742 -8.586 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.061 -0.256 -9.127 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.578 -0.248 -9.456 1.00 0.00 C ATOM 0 HA VAL A 141 -14.586 -0.686 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.725 -1.832 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.176 -0.584 -10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.870 -0.668 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.096 0.833 -9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.733 -0.576 -10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.540 0.841 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.638 -0.655 -9.084 1.00 0.00 H new ATOM 2107 N SER A 142 -14.306 1.795 -6.918 1.00 0.00 N ATOM 2108 CA SER A 142 -14.153 3.246 -6.850 1.00 0.00 C ATOM 2109 C SER A 142 -12.739 3.675 -7.242 1.00 0.00 C ATOM 2110 O SER A 142 -11.758 3.056 -6.831 1.00 0.00 O ATOM 2111 CB SER A 142 -14.476 3.744 -5.441 1.00 0.00 C ATOM 2112 OG SER A 142 -15.851 4.062 -5.315 1.00 0.00 O ATOM 0 H SER A 142 -13.433 1.273 -6.842 1.00 0.00 H new ATOM 0 HA SER A 142 -14.851 3.690 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.208 2.980 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.874 4.624 -5.216 1.00 0.00 H new ATOM 0 HG SER A 142 -16.379 3.460 -5.880 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.616 4.753 -8.043 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.318 5.266 -8.484 1.00 0.00 C ATOM 2120 C PRO A 143 -10.654 6.137 -7.421 1.00 0.00 C ATOM 2121 O PRO A 143 -11.329 6.879 -6.707 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.683 6.100 -9.707 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.051 6.612 -9.415 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.732 5.556 -8.581 1.00 0.00 C ATOM 0 HA PRO A 143 -10.601 4.470 -8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.977 6.917 -9.855 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.670 5.498 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.005 7.560 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.603 6.794 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.326 6.000 -7.782 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.409 4.948 -9.181 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.330 6.044 -7.318 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.590 6.831 -6.337 1.00 0.00 C ATOM 2134 C VAL A 144 -7.132 7.005 -6.745 1.00 0.00 C ATOM 2135 O VAL A 144 -6.624 6.282 -7.604 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.641 6.178 -4.942 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -10.061 6.188 -4.396 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -8.092 4.760 -4.995 1.00 0.00 C ATOM 0 H VAL A 144 -8.752 5.436 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.070 7.809 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 144 -8.014 6.761 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -10.075 5.723 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.413 7.217 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.714 5.632 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.136 4.315 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.689 4.164 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.057 4.783 -5.336 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.464 7.967 -6.119 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.061 8.243 -6.407 1.00 0.00 C ATOM 2150 C PHE A 145 -4.351 8.767 -5.162 1.00 0.00 C ATOM 2151 O PHE A 145 -4.800 9.730 -4.540 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.939 9.258 -7.544 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.838 10.452 -7.383 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.194 10.357 -7.652 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -5.325 11.668 -6.961 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -8.022 11.453 -7.503 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -6.150 12.768 -6.810 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.499 12.660 -7.083 1.00 0.00 C ATOM 0 H PHE A 145 -6.873 8.571 -5.406 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.586 7.311 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.905 9.598 -7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.170 8.764 -8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.608 9.416 -7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.270 11.758 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -9.077 11.366 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.739 13.710 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 145 -8.144 13.518 -6.968 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.246 8.123 -4.797 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.483 8.526 -3.621 1.00 0.00 C ATOM 2170 C ALA A 146 -1.128 9.101 -4.012 1.00 0.00 C ATOM 2171 O ALA A 146 -0.569 8.752 -5.053 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.307 7.343 -2.681 1.00 0.00 C ATOM 0 H ALA A 146 -2.860 7.322 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 146 -3.041 9.308 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.736 7.655 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.285 6.980 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.773 6.545 -3.197 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.601 9.985 -3.169 1.00 0.00 N ATOM 2179 CA GLY A 147 0.688 10.593 -3.443 1.00 0.00 C ATOM 2180 C GLY A 147 1.487 10.839 -2.178 1.00 0.00 C ATOM 2181 O GLY A 147 0.968 11.390 -1.208 1.00 0.00 O ATOM 0 H GLY A 147 -1.044 10.290 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.258 9.947 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.538 11.538 -3.965 1.00 0.00 H new ATOM 2185 N GLY A 148 2.751 10.430 -2.186 1.00 0.00 N ATOM 2186 CA GLY A 148 3.593 10.620 -1.020 1.00 0.00 C ATOM 2187 C GLY A 148 5.071 10.528 -1.341 1.00 0.00 C ATOM 2188 O GLY A 148 5.475 10.677 -2.494 1.00 0.00 O ATOM 0 H GLY A 148 3.206 9.972 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.382 11.595 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.342 9.870 -0.270 1.00 0.00 H new ATOM 2192 N VAL A 149 5.879 10.280 -0.316 1.00 0.00 N ATOM 2193 CA VAL A 149 7.323 10.166 -0.489 1.00 0.00 C ATOM 2194 C VAL A 149 7.868 8.953 0.259 1.00 0.00 C ATOM 2195 O VAL A 149 7.168 8.352 1.073 1.00 0.00 O ATOM 2196 CB VAL A 149 8.052 11.435 -0.004 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.870 12.577 -0.998 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.560 11.835 1.379 1.00 0.00 C ATOM 0 H VAL A 149 5.558 10.154 0.644 1.00 0.00 H new ATOM 0 HA VAL A 149 7.508 10.043 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 149 9.118 11.215 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.393 13.462 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.278 12.286 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.809 12.801 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.085 12.733 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.489 12.034 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.753 11.025 2.082 1.00 0.00 H new ATOM 2208 N GLU A 150 9.118 8.595 -0.022 1.00 0.00 N ATOM 2209 CA GLU A 150 9.744 7.448 0.625 1.00 0.00 C ATOM 2210 C GLU A 150 11.158 7.780 1.087 1.00 0.00 C ATOM 2211 O GLU A 150 11.930 8.412 0.364 1.00 0.00 O ATOM 2212 CB GLU A 150 9.774 6.251 -0.328 1.00 0.00 C ATOM 2213 CG GLU A 150 10.201 4.955 0.338 1.00 0.00 C ATOM 2214 CD GLU A 150 11.081 4.102 -0.556 1.00 0.00 C ATOM 2215 OE1 GLU A 150 12.288 4.404 -0.661 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.563 3.135 -1.151 1.00 0.00 O ATOM 0 H GLU A 150 9.715 9.081 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 150 9.149 7.193 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.783 6.118 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.455 6.469 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.738 5.184 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.315 4.386 0.619 1.00 0.00 H new ATOM 2223 N TRP A 151 11.490 7.338 2.299 1.00 0.00 N ATOM 2224 CA TRP A 151 12.811 7.573 2.870 1.00 0.00 C ATOM 2225 C TRP A 151 13.556 6.255 3.058 1.00 0.00 C ATOM 2226 O TRP A 151 13.067 5.345 3.728 1.00 0.00 O ATOM 2227 CB TRP A 151 12.684 8.299 4.212 1.00 0.00 C ATOM 2228 CG TRP A 151 13.890 9.113 4.565 1.00 0.00 C ATOM 2229 CD1 TRP A 151 14.353 10.218 3.912 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.788 8.887 5.658 1.00 0.00 C ATOM 2231 NE1 TRP A 151 15.483 10.694 4.531 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.771 9.893 5.606 1.00 0.00 C ATOM 2233 CE3 TRP A 151 14.855 7.932 6.676 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 16.808 9.970 6.532 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 15.885 8.010 7.596 1.00 0.00 C ATOM 2236 CH2 TRP A 151 16.849 9.022 7.517 1.00 0.00 C ATOM 0 H TRP A 151 10.859 6.814 2.905 1.00 0.00 H new ATOM 0 HA TRP A 151 13.379 8.198 2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.811 8.951 4.183 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.508 7.565 4.998 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.897 10.655 3.036 1.00 0.00 H new ATOM 0 HE1 TRP A 151 16.020 11.510 4.239 1.00 0.00 H new ATOM 0 HE3 TRP A 151 14.116 7.147 6.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.553 10.750 6.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 15.946 7.278 8.388 1.00 0.00 H new ATOM 0 HH2 TRP A 151 17.642 9.055 8.249 1.00 0.00 H new ATOM 2247 N ALA A 152 14.738 6.158 2.457 1.00 0.00 N ATOM 2248 CA ALA A 152 15.545 4.947 2.554 1.00 0.00 C ATOM 2249 C ALA A 152 16.484 4.995 3.755 1.00 0.00 C ATOM 2250 O ALA A 152 17.199 5.975 3.960 1.00 0.00 O ATOM 2251 CB ALA A 152 16.338 4.741 1.272 1.00 0.00 C ATOM 0 H ALA A 152 15.157 6.902 1.899 1.00 0.00 H new ATOM 0 HA ALA A 152 14.868 4.104 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.937 3.834 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.651 4.646 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.995 5.595 1.109 1.00 0.00 H new ATOM 2257 N VAL A 153 16.480 3.924 4.543 1.00 0.00 N ATOM 2258 CA VAL A 153 17.335 3.835 5.721 1.00 0.00 C ATOM 2259 C VAL A 153 18.350 2.707 5.571 1.00 0.00 C ATOM 2260 O VAL A 153 19.558 2.929 5.647 1.00 0.00 O ATOM 2261 CB VAL A 153 16.511 3.600 7.002 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.407 3.637 8.233 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.395 4.630 7.115 1.00 0.00 C ATOM 0 H VAL A 153 15.893 3.105 4.386 1.00 0.00 H new ATOM 0 HA VAL A 153 17.857 4.788 5.807 1.00 0.00 H new ATOM 0 HB VAL A 153 16.058 2.610 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.805 3.469 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 153 18.165 2.858 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.892 4.611 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.823 4.449 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.826 5.631 7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.736 4.549 6.251 1.00 0.00 H new ATOM 2323 N ILE A 157 15.487 -1.943 3.051 1.00 0.00 N ATOM 2324 CA ILE A 157 14.348 -1.637 3.909 1.00 0.00 C ATOM 2325 C ILE A 157 14.177 -0.131 4.074 1.00 0.00 C ATOM 2326 O ILE A 157 15.050 0.545 4.620 1.00 0.00 O ATOM 2327 CB ILE A 157 14.500 -2.278 5.303 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.861 -3.759 5.175 1.00 0.00 C ATOM 2329 CG2 ILE A 157 13.221 -2.107 6.108 1.00 0.00 C ATOM 2330 CD1 ILE A 157 15.470 -4.343 6.431 1.00 0.00 C ATOM 0 HA ILE A 157 13.466 -2.053 3.422 1.00 0.00 H new ATOM 0 HB ILE A 157 15.309 -1.772 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.964 -4.323 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.561 -3.884 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 157 13.345 -2.565 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 157 13.006 -1.045 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.395 -2.588 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.701 -5.396 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 157 16.385 -3.804 6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.763 -4.250 7.255 1.00 0.00 H new ATOM 2342 N ALA A 158 13.050 0.390 3.599 1.00 0.00 N ATOM 2343 CA ALA A 158 12.772 1.818 3.696 1.00 0.00 C ATOM 2344 C ALA A 158 11.348 2.072 4.177 1.00 0.00 C ATOM 2345 O ALA A 158 10.524 1.160 4.224 1.00 0.00 O ATOM 2346 CB ALA A 158 13.004 2.491 2.351 1.00 0.00 C ATOM 0 H ALA A 158 12.317 -0.154 3.144 1.00 0.00 H new ATOM 0 HA ALA A 158 13.455 2.246 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.793 3.557 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 158 14.041 2.349 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.344 2.049 1.604 1.00 0.00 H new ATOM 2352 N THR A 159 11.065 3.325 4.526 1.00 0.00 N ATOM 2353 CA THR A 159 9.740 3.710 4.996 1.00 0.00 C ATOM 2354 C THR A 159 9.079 4.648 3.992 1.00 0.00 C ATOM 2355 O THR A 159 9.762 5.351 3.247 1.00 0.00 O ATOM 2356 CB THR A 159 9.836 4.390 6.363 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.426 5.673 6.246 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.648 3.600 7.367 1.00 0.00 C ATOM 0 H THR A 159 11.738 4.091 4.491 1.00 0.00 H new ATOM 0 HA THR A 159 9.132 2.811 5.095 1.00 0.00 H new ATOM 0 HB THR A 159 8.810 4.460 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.477 6.092 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.677 4.137 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 159 10.189 2.623 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 159 11.663 3.470 6.992 1.00 0.00 H new ATOM 2366 N ARG A 160 7.751 4.653 3.965 1.00 0.00 N ATOM 2367 CA ARG A 160 7.022 5.504 3.035 1.00 0.00 C ATOM 2368 C ARG A 160 5.828 6.181 3.700 1.00 0.00 C ATOM 2369 O ARG A 160 5.121 5.578 4.512 1.00 0.00 O ATOM 2370 CB ARG A 160 6.550 4.686 1.832 1.00 0.00 C ATOM 2371 CG ARG A 160 5.656 3.514 2.205 1.00 0.00 C ATOM 2372 CD ARG A 160 5.145 2.789 0.971 1.00 0.00 C ATOM 2373 NE ARG A 160 6.236 2.307 0.129 1.00 0.00 N ATOM 2374 CZ ARG A 160 6.055 1.678 -1.030 1.00 0.00 C ATOM 2375 NH1 ARG A 160 4.830 1.453 -1.487 1.00 0.00 N ATOM 2376 NH2 ARG A 160 7.103 1.272 -1.735 1.00 0.00 N ATOM 0 H ARG A 160 7.162 4.082 4.571 1.00 0.00 H new ATOM 0 HA ARG A 160 7.705 6.285 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.010 5.340 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.421 4.311 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.211 2.818 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.811 3.872 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.524 1.947 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.510 3.460 0.393 1.00 0.00 H new ATOM 0 HE ARG A 160 7.193 2.461 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.020 1.763 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.698 0.970 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 160 8.047 1.442 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 160 6.964 0.790 -2.623 1.00 0.00 H new ATOM 2390 N LEU A 161 5.601 7.436 3.325 1.00 0.00 N ATOM 2391 CA LEU A 161 4.485 8.217 3.847 1.00 0.00 C ATOM 2392 C LEU A 161 3.597 8.675 2.696 1.00 0.00 C ATOM 2393 O LEU A 161 4.048 9.396 1.803 1.00 0.00 O ATOM 2394 CB LEU A 161 4.997 9.425 4.636 1.00 0.00 C ATOM 2395 CG LEU A 161 4.206 9.754 5.907 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.956 10.770 6.757 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.820 10.273 5.550 1.00 0.00 C ATOM 0 H LEU A 161 6.182 7.938 2.654 1.00 0.00 H new ATOM 0 HA LEU A 161 3.901 7.591 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 161 6.037 9.246 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.985 10.298 3.983 1.00 0.00 H new ATOM 0 HG LEU A 161 4.093 8.840 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.378 10.991 7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.926 10.362 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.101 11.686 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.271 10.502 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.914 11.176 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.282 9.513 4.984 1.00 0.00 H new ATOM 2409 N GLU A 162 2.341 8.235 2.706 1.00 0.00 N ATOM 2410 CA GLU A 162 1.405 8.585 1.645 1.00 0.00 C ATOM 2411 C GLU A 162 0.347 9.573 2.127 1.00 0.00 C ATOM 2412 O GLU A 162 -0.115 9.501 3.266 1.00 0.00 O ATOM 2413 CB GLU A 162 0.726 7.327 1.103 1.00 0.00 C ATOM 2414 CG GLU A 162 -0.221 7.599 -0.056 1.00 0.00 C ATOM 2415 CD GLU A 162 -1.640 7.143 0.231 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -2.393 7.912 0.862 1.00 0.00 O ATOM 2417 OE2 GLU A 162 -1.996 6.019 -0.178 1.00 0.00 O ATOM 0 H GLU A 162 1.951 7.638 3.435 1.00 0.00 H new ATOM 0 HA GLU A 162 1.976 9.064 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.491 6.622 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.172 6.847 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -0.224 8.667 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 162 0.147 7.091 -0.948 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.035 10.487 1.242 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.046 11.488 1.557 1.00 0.00 C ATOM 2426 C TYR A 163 -2.055 11.605 0.419 1.00 0.00 C ATOM 2427 O TYR A 163 -1.799 11.159 -0.701 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.392 12.845 1.819 1.00 0.00 C ATOM 2429 CG TYR A 163 0.410 13.372 0.649 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -0.220 13.802 -0.512 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.796 13.441 0.707 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.508 14.284 -1.583 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.532 13.921 -0.359 1.00 0.00 C ATOM 2434 CZ TYR A 163 1.883 14.342 -1.501 1.00 0.00 C ATOM 2435 OH TYR A 163 2.612 14.822 -2.564 1.00 0.00 O ATOM 0 H TYR A 163 0.343 10.555 0.297 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.571 11.172 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.167 13.569 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.262 12.761 2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.297 13.759 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.307 13.114 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.003 14.613 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.609 13.966 -0.299 1.00 0.00 H new ATOM 0 HH TYR A 163 3.567 14.797 -2.344 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.205 12.206 0.712 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.252 12.379 -0.288 1.00 0.00 C ATOM 2447 C GLN A 164 -3.923 13.541 -1.221 1.00 0.00 C ATOM 2448 O GLN A 164 -4.078 13.435 -2.438 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.602 12.619 0.393 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.531 11.418 0.336 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.987 11.798 0.526 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.431 12.064 1.643 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -8.739 11.822 -0.568 1.00 0.00 N ATOM 0 H GLN A 164 -3.434 12.581 1.633 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.311 11.466 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.432 12.887 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.092 13.470 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.412 10.917 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.242 10.703 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -8.329 11.594 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -9.727 12.068 -0.503 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.465 10.751 5.897 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.030 10.509 5.996 1.00 0.00 C ATOM 2726 C LEU A 184 -1.748 9.123 6.570 1.00 0.00 C ATOM 2727 O LEU A 184 -2.088 8.834 7.717 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.370 11.578 6.868 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.699 13.022 6.481 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -2.956 13.493 7.195 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.527 13.938 6.802 1.00 0.00 C ATOM 0 HA LEU A 184 -1.610 10.558 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.671 11.418 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.289 11.444 6.826 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.881 13.058 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.174 14.522 6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.794 12.853 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.803 13.442 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.777 14.961 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.315 13.897 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.352 13.613 6.245 1.00 0.00 H new ATOM 2743 N SER A 185 -1.123 8.271 5.764 1.00 0.00 N ATOM 2744 CA SER A 185 -0.793 6.915 6.190 1.00 0.00 C ATOM 2745 C SER A 185 0.716 6.694 6.170 1.00 0.00 C ATOM 2746 O SER A 185 1.426 7.260 5.335 1.00 0.00 O ATOM 2747 CB SER A 185 -1.485 5.892 5.287 1.00 0.00 C ATOM 2748 OG SER A 185 -1.267 4.571 5.752 1.00 0.00 O ATOM 0 H SER A 185 -0.835 8.495 4.812 1.00 0.00 H new ATOM 0 HA SER A 185 -1.148 6.783 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 185 -2.555 6.097 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.110 5.989 4.268 1.00 0.00 H new ATOM 0 HG SER A 185 -0.822 4.601 6.625 1.00 0.00 H new ATOM 2754 N LEU A 186 1.200 5.865 7.091 1.00 0.00 N ATOM 2755 CA LEU A 186 2.630 5.570 7.177 1.00 0.00 C ATOM 2756 C LEU A 186 2.873 4.064 7.147 1.00 0.00 C ATOM 2757 O LEU A 186 2.136 3.296 7.763 1.00 0.00 O ATOM 2758 CB LEU A 186 3.241 6.172 8.453 1.00 0.00 C ATOM 2759 CG LEU A 186 2.307 7.052 9.288 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.458 6.200 10.220 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.111 8.074 10.082 1.00 0.00 C ATOM 0 H LEU A 186 0.627 5.387 7.786 1.00 0.00 H new ATOM 0 HA LEU A 186 3.115 6.023 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.599 5.357 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.112 6.764 8.172 1.00 0.00 H new ATOM 0 HG LEU A 186 1.640 7.586 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.801 6.844 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.857 5.506 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.107 5.638 10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.433 8.692 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.801 7.556 10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.675 8.706 9.396 1.00 0.00 H new ATOM 2773 N GLY A 187 3.909 3.647 6.425 1.00 0.00 N ATOM 2774 CA GLY A 187 4.220 2.232 6.335 1.00 0.00 C ATOM 2775 C GLY A 187 5.669 1.964 5.982 1.00 0.00 C ATOM 2776 O GLY A 187 6.467 2.892 5.850 1.00 0.00 O ATOM 0 H GLY A 187 4.535 4.260 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.990 1.754 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.578 1.772 5.584 1.00 0.00 H new ATOM 2780 N VAL A 188 6.004 0.688 5.824 1.00 0.00 N ATOM 2781 CA VAL A 188 7.362 0.286 5.475 1.00 0.00 C ATOM 2782 C VAL A 188 7.348 -0.692 4.307 1.00 0.00 C ATOM 2783 O VAL A 188 6.456 -1.535 4.204 1.00 0.00 O ATOM 2784 CB VAL A 188 8.099 -0.357 6.669 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.685 0.715 7.574 1.00 0.00 C ATOM 2786 CG2 VAL A 188 7.168 -1.274 7.452 1.00 0.00 C ATOM 0 H VAL A 188 5.351 -0.088 5.933 1.00 0.00 H new ATOM 0 HA VAL A 188 7.897 1.192 5.190 1.00 0.00 H new ATOM 0 HB VAL A 188 8.917 -0.962 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.201 0.243 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.391 1.323 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.884 1.349 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.710 -1.715 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.324 -0.698 7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.803 -2.066 6.798 1.00 0.00 H new ATOM 2796 N SER A 189 8.333 -0.574 3.422 1.00 0.00 N ATOM 2797 CA SER A 189 8.415 -1.448 2.260 1.00 0.00 C ATOM 2798 C SER A 189 9.861 -1.800 1.928 1.00 0.00 C ATOM 2799 O SER A 189 10.798 -1.233 2.493 1.00 0.00 O ATOM 2800 CB SER A 189 7.752 -0.784 1.052 1.00 0.00 C ATOM 2801 OG SER A 189 8.417 0.418 0.702 1.00 0.00 O ATOM 0 H SER A 189 9.082 0.115 3.488 1.00 0.00 H new ATOM 0 HA SER A 189 7.888 -2.371 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.763 -1.470 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.707 -0.573 1.277 1.00 0.00 H new ATOM 0 HG SER A 189 9.017 0.252 -0.055 1.00 0.00 H new ATOM 2807 N TYR A 190 10.028 -2.741 1.004 1.00 0.00 N ATOM 2808 CA TYR A 190 11.354 -3.178 0.585 1.00 0.00 C ATOM 2809 C TYR A 190 11.402 -3.371 -0.928 1.00 0.00 C ATOM 2810 O TYR A 190 10.377 -3.619 -1.566 1.00 0.00 O ATOM 2811 CB TYR A 190 11.729 -4.482 1.290 1.00 0.00 C ATOM 2812 CG TYR A 190 10.739 -5.602 1.060 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.610 -5.731 1.860 1.00 0.00 C ATOM 2814 CD2 TYR A 190 10.932 -6.528 0.044 1.00 0.00 C ATOM 2815 CE1 TYR A 190 8.702 -6.753 1.652 1.00 0.00 C ATOM 2816 CE2 TYR A 190 10.030 -7.551 -0.170 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.917 -7.660 0.636 1.00 0.00 C ATOM 2818 OH TYR A 190 8.015 -8.679 0.426 1.00 0.00 O ATOM 0 H TYR A 190 9.259 -3.216 0.531 1.00 0.00 H new ATOM 0 HA TYR A 190 12.073 -2.406 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.713 -4.801 0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.811 -4.296 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 190 9.439 -5.022 2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 190 11.803 -6.447 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 190 7.829 -6.840 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 190 10.196 -8.263 -0.965 1.00 0.00 H new ATOM 0 HH TYR A 190 8.313 -9.229 -0.328 1.00 0.00 H new ATOM 2828 N ARG A 191 12.598 -3.257 -1.497 1.00 0.00 N ATOM 2829 CA ARG A 191 12.778 -3.419 -2.934 1.00 0.00 C ATOM 2830 C ARG A 191 14.139 -4.035 -3.245 1.00 0.00 C ATOM 2831 O ARG A 191 15.083 -3.904 -2.467 1.00 0.00 O ATOM 2832 CB ARG A 191 12.644 -2.070 -3.641 1.00 0.00 C ATOM 2833 CG ARG A 191 13.608 -1.013 -3.127 1.00 0.00 C ATOM 2834 CD ARG A 191 14.947 -1.085 -3.844 1.00 0.00 C ATOM 2835 NE ARG A 191 15.498 0.242 -4.109 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.121 0.983 -3.195 1.00 0.00 C ATOM 2837 NH1 ARG A 191 16.274 0.532 -1.957 1.00 0.00 N ATOM 2838 NH2 ARG A 191 16.592 2.179 -3.522 1.00 0.00 N ATOM 0 H ARG A 191 13.456 -3.053 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 191 12.002 -4.092 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 191 12.809 -2.211 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 191 11.623 -1.707 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 191 13.172 -0.023 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 191 13.760 -1.147 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 191 15.652 -1.656 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 191 14.826 -1.622 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 191 15.400 0.623 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 191 15.913 -0.387 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 191 16.752 1.104 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.477 2.530 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 191 17.069 2.748 -2.823 1.00 0.00 H new