USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 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 61 GLN : amide:sc= 1.03 K(o=2.3,f=0.49!) USER MOD Set 1.2: A 102 TYR OH : rot 101:sc= 1.22 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -115:sc= 1.31 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.101 K(o=-0.1,f=-1) USER MOD Single : A 95 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.85) USER MOD Single : A 97 THR OG1 : rot -74:sc= -3.72 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.913 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.484 USER MOD Single : A 159 THR OG1 : rot 22:sc= 0.0155 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc=-0.00427 K(o=-0.0043,f=-0.53) USER MOD Single : A 185 SER OG : rot -150:sc= 0 USER MOD Single : A 189 SER OG : rot 99:sc= -0.743 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.603 -3.614 -11.464 1.00 0.00 N ATOM 276 CA THR A 18 12.562 -3.348 -10.030 1.00 0.00 C ATOM 277 C THR A 18 11.212 -3.748 -9.442 1.00 0.00 C ATOM 278 O THR A 18 10.178 -3.632 -10.099 1.00 0.00 O ATOM 279 CB THR A 18 12.831 -1.867 -9.757 1.00 0.00 C ATOM 280 OG1 THR A 18 12.575 -1.553 -8.400 1.00 0.00 O ATOM 281 CG2 THR A 18 11.993 -0.938 -10.609 1.00 0.00 C ATOM 0 HA THR A 18 13.339 -3.945 -9.552 1.00 0.00 H new ATOM 0 HB THR A 18 13.881 -1.714 -10.007 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.754 -0.602 -8.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.234 0.097 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.205 -1.121 -11.663 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.936 -1.120 -10.414 1.00 0.00 H new ATOM 289 N TRP A 19 11.231 -4.224 -8.202 1.00 0.00 N ATOM 290 CA TRP A 19 10.011 -4.645 -7.524 1.00 0.00 C ATOM 291 C TRP A 19 9.937 -4.061 -6.118 1.00 0.00 C ATOM 292 O TRP A 19 10.887 -4.166 -5.341 1.00 0.00 O ATOM 293 CB TRP A 19 9.941 -6.173 -7.456 1.00 0.00 C ATOM 294 CG TRP A 19 9.219 -6.788 -8.616 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.904 -7.155 -8.662 1.00 0.00 C ATOM 296 CD2 TRP A 19 9.772 -7.113 -9.896 1.00 0.00 C ATOM 297 NE1 TRP A 19 7.606 -7.687 -9.893 1.00 0.00 N ATOM 298 CE2 TRP A 19 8.736 -7.672 -10.668 1.00 0.00 C ATOM 299 CE3 TRP A 19 11.043 -6.985 -10.465 1.00 0.00 C ATOM 300 CZ2 TRP A 19 8.933 -8.101 -11.979 1.00 0.00 C ATOM 301 CZ3 TRP A 19 11.236 -7.410 -11.766 1.00 0.00 C ATOM 302 CH2 TRP A 19 10.185 -7.962 -12.509 1.00 0.00 C ATOM 0 H TRP A 19 12.079 -4.328 -7.645 1.00 0.00 H new ATOM 0 HA TRP A 19 9.162 -4.272 -8.097 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.954 -6.574 -7.414 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.443 -6.466 -6.531 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.201 -7.043 -7.849 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.693 -8.036 -10.183 1.00 0.00 H new ATOM 0 HE3 TRP A 19 11.859 -6.562 -9.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 8.126 -8.528 -12.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 12.213 -7.315 -12.217 1.00 0.00 H new ATOM 0 HH2 TRP A 19 10.368 -8.285 -13.523 1.00 0.00 H new ATOM 313 N TYR A 20 8.801 -3.452 -5.793 1.00 0.00 N ATOM 314 CA TYR A 20 8.601 -2.856 -4.477 1.00 0.00 C ATOM 315 C TYR A 20 7.391 -3.474 -3.784 1.00 0.00 C ATOM 316 O TYR A 20 6.342 -3.662 -4.400 1.00 0.00 O ATOM 317 CB TYR A 20 8.421 -1.341 -4.602 1.00 0.00 C ATOM 318 CG TYR A 20 9.546 -0.544 -3.981 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.719 -0.507 -2.604 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.435 0.169 -4.773 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.747 0.220 -2.033 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.466 0.899 -4.209 1.00 0.00 C ATOM 323 CZ TYR A 20 11.616 0.920 -2.840 1.00 0.00 C ATOM 324 OH TYR A 20 12.641 1.645 -2.275 1.00 0.00 O ATOM 0 H TYR A 20 8.005 -3.358 -6.423 1.00 0.00 H new ATOM 0 HA TYR A 20 9.485 -3.057 -3.872 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.341 -1.079 -5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.481 -1.055 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.039 -1.055 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.320 0.154 -5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.868 0.239 -0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.149 1.449 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 20 12.500 2.599 -2.447 1.00 0.00 H new ATOM 334 N ALA A 21 7.543 -3.788 -2.503 1.00 0.00 N ATOM 335 CA ALA A 21 6.460 -4.386 -1.732 1.00 0.00 C ATOM 336 C ALA A 21 6.518 -3.961 -0.270 1.00 0.00 C ATOM 337 O ALA A 21 7.595 -3.878 0.323 1.00 0.00 O ATOM 338 CB ALA A 21 6.509 -5.904 -1.842 1.00 0.00 C ATOM 0 H ALA A 21 8.404 -3.639 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 21 5.517 -4.029 -2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.695 -6.337 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.405 -6.197 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.462 -6.266 -1.457 1.00 0.00 H new ATOM 344 N GLY A 22 5.351 -3.693 0.308 1.00 0.00 N ATOM 345 CA GLY A 22 5.287 -3.280 1.697 1.00 0.00 C ATOM 346 C GLY A 22 3.861 -3.097 2.181 1.00 0.00 C ATOM 347 O GLY A 22 2.926 -3.645 1.597 1.00 0.00 O ATOM 0 H GLY A 22 4.448 -3.755 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.786 -4.024 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.833 -2.344 1.821 1.00 0.00 H new ATOM 351 N GLY A 23 3.695 -2.323 3.247 1.00 0.00 N ATOM 352 CA GLY A 23 2.369 -2.083 3.788 1.00 0.00 C ATOM 353 C GLY A 23 2.255 -0.735 4.468 1.00 0.00 C ATOM 354 O GLY A 23 3.234 -0.222 5.014 1.00 0.00 O ATOM 0 H GLY A 23 4.453 -1.858 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.636 -2.144 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.124 -2.869 4.503 1.00 0.00 H new ATOM 358 N LYS A 24 1.056 -0.156 4.434 1.00 0.00 N ATOM 359 CA LYS A 24 0.824 1.143 5.052 1.00 0.00 C ATOM 360 C LYS A 24 -0.412 1.114 5.946 1.00 0.00 C ATOM 361 O LYS A 24 -1.316 0.302 5.753 1.00 0.00 O ATOM 362 CB LYS A 24 0.662 2.221 3.979 1.00 0.00 C ATOM 363 CG LYS A 24 -0.475 1.950 3.006 1.00 0.00 C ATOM 364 CD LYS A 24 -1.779 2.563 3.490 1.00 0.00 C ATOM 365 CE LYS A 24 -2.965 1.659 3.190 1.00 0.00 C ATOM 366 NZ LYS A 24 -4.168 2.040 3.980 1.00 0.00 N ATOM 0 H LYS A 24 0.236 -0.565 3.987 1.00 0.00 H new ATOM 0 HA LYS A 24 1.691 1.379 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.491 3.182 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.594 2.308 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.222 2.356 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.601 0.874 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.721 2.744 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.927 3.531 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.199 1.708 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.698 0.625 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.954 1.400 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.953 1.969 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.438 3.018 3.751 1.00 0.00 H new ATOM 380 N LEU A 25 -0.436 2.012 6.927 1.00 0.00 N ATOM 381 CA LEU A 25 -1.553 2.104 7.858 1.00 0.00 C ATOM 382 C LEU A 25 -2.090 3.530 7.914 1.00 0.00 C ATOM 383 O LEU A 25 -1.325 4.494 7.869 1.00 0.00 O ATOM 384 CB LEU A 25 -1.117 1.654 9.254 1.00 0.00 C ATOM 385 CG LEU A 25 -2.243 1.145 10.155 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.782 -0.062 10.957 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.726 2.250 11.084 1.00 0.00 C ATOM 0 H LEU A 25 0.309 2.688 7.097 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.348 1.447 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.373 0.864 9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.626 2.490 9.751 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.076 0.839 9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.597 -0.410 11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.487 -0.860 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.931 0.218 11.579 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.527 1.869 11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.899 2.587 11.709 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.098 3.086 10.492 1.00 0.00 H new ATOM 399 N GLY A 26 -3.410 3.656 8.013 1.00 0.00 N ATOM 400 CA GLY A 26 -4.026 4.968 8.072 1.00 0.00 C ATOM 401 C GLY A 26 -5.299 4.977 8.894 1.00 0.00 C ATOM 402 O GLY A 26 -5.791 3.923 9.302 1.00 0.00 O ATOM 0 H GLY A 26 -4.063 2.873 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.318 5.679 8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.249 5.307 7.060 1.00 0.00 H new ATOM 799 N GLY A 53 -7.205 1.333 9.599 1.00 0.00 N ATOM 800 CA GLY A 53 -7.135 0.595 8.351 1.00 0.00 C ATOM 801 C GLY A 53 -5.714 0.230 7.971 1.00 0.00 C ATOM 802 O GLY A 53 -4.799 1.040 8.116 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.730 -0.314 8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.579 1.192 7.554 1.00 0.00 H new ATOM 806 N ALA A 54 -5.528 -0.992 7.482 1.00 0.00 N ATOM 807 CA ALA A 54 -4.207 -1.461 7.080 1.00 0.00 C ATOM 808 C ALA A 54 -4.254 -2.093 5.694 1.00 0.00 C ATOM 809 O ALA A 54 -5.187 -2.829 5.370 1.00 0.00 O ATOM 810 CB ALA A 54 -3.667 -2.452 8.098 1.00 0.00 C ATOM 0 H ALA A 54 -6.275 -1.675 7.355 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.537 -0.602 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.680 -2.794 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.592 -1.968 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.341 -3.306 8.168 1.00 0.00 H new ATOM 816 N GLY A 55 -3.245 -1.805 4.878 1.00 0.00 N ATOM 817 CA GLY A 55 -3.205 -2.359 3.540 1.00 0.00 C ATOM 818 C GLY A 55 -1.794 -2.595 3.041 1.00 0.00 C ATOM 819 O GLY A 55 -0.847 -1.959 3.506 1.00 0.00 O ATOM 0 H GLY A 55 -2.459 -1.201 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.752 -3.302 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.718 -1.682 2.857 1.00 0.00 H new ATOM 823 N ALA A 56 -1.654 -3.510 2.088 1.00 0.00 N ATOM 824 CA ALA A 56 -0.351 -3.831 1.517 1.00 0.00 C ATOM 825 C ALA A 56 -0.210 -3.238 0.121 1.00 0.00 C ATOM 826 O ALA A 56 -1.119 -3.347 -0.704 1.00 0.00 O ATOM 827 CB ALA A 56 -0.148 -5.336 1.477 1.00 0.00 C ATOM 0 H ALA A 56 -2.429 -4.044 1.694 1.00 0.00 H new ATOM 0 HA ALA A 56 0.418 -3.392 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.829 -5.560 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.201 -5.737 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.926 -5.792 0.865 1.00 0.00 H new ATOM 833 N PHE A 57 0.929 -2.606 -0.139 1.00 0.00 N ATOM 834 CA PHE A 57 1.180 -1.992 -1.438 1.00 0.00 C ATOM 835 C PHE A 57 2.405 -2.607 -2.108 1.00 0.00 C ATOM 836 O PHE A 57 3.485 -2.668 -1.520 1.00 0.00 O ATOM 837 CB PHE A 57 1.373 -0.484 -1.285 1.00 0.00 C ATOM 838 CG PHE A 57 0.081 0.284 -1.252 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.769 0.279 -2.348 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.282 1.008 -0.130 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.958 0.983 -2.321 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.470 1.714 -0.098 1.00 0.00 C ATOM 843 CZ PHE A 57 -2.309 1.702 -1.195 1.00 0.00 C ATOM 0 H PHE A 57 1.692 -2.505 0.531 1.00 0.00 H new ATOM 0 HA PHE A 57 0.312 -2.179 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.927 -0.288 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.983 -0.118 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.499 -0.281 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.370 1.022 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.612 0.971 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.742 2.275 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.237 2.253 -1.173 1.00 0.00 H new ATOM 853 N GLY A 58 2.226 -3.056 -3.346 1.00 0.00 N ATOM 854 CA GLY A 58 3.319 -3.657 -4.087 1.00 0.00 C ATOM 855 C GLY A 58 3.242 -3.349 -5.568 1.00 0.00 C ATOM 856 O GLY A 58 2.224 -3.612 -6.209 1.00 0.00 O ATOM 0 H GLY A 58 1.340 -3.014 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.267 -3.294 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.305 -4.737 -3.941 1.00 0.00 H new ATOM 860 N GLY A 59 4.314 -2.785 -6.115 1.00 0.00 N ATOM 861 CA GLY A 59 4.331 -2.448 -7.526 1.00 0.00 C ATOM 862 C GLY A 59 5.549 -2.992 -8.245 1.00 0.00 C ATOM 863 O GLY A 59 6.457 -3.540 -7.619 1.00 0.00 O ATOM 0 H GLY A 59 5.169 -2.556 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.430 -2.839 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.304 -1.364 -7.636 1.00 0.00 H new ATOM 867 N TYR A 60 5.565 -2.840 -9.566 1.00 0.00 N ATOM 868 CA TYR A 60 6.677 -3.317 -10.379 1.00 0.00 C ATOM 869 C TYR A 60 6.789 -2.511 -11.669 1.00 0.00 C ATOM 870 O TYR A 60 5.798 -2.298 -12.369 1.00 0.00 O ATOM 871 CB TYR A 60 6.495 -4.801 -10.706 1.00 0.00 C ATOM 872 CG TYR A 60 5.169 -5.120 -11.360 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.006 -5.211 -10.607 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.083 -5.329 -12.730 1.00 0.00 C ATOM 875 CE1 TYR A 60 2.792 -5.503 -11.202 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.873 -5.621 -13.333 1.00 0.00 C ATOM 877 CZ TYR A 60 2.732 -5.708 -12.563 1.00 0.00 C ATOM 878 OH TYR A 60 1.526 -5.998 -13.159 1.00 0.00 O ATOM 0 H TYR A 60 4.819 -2.390 -10.096 1.00 0.00 H new ATOM 0 HA TYR A 60 7.597 -3.187 -9.808 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.302 -5.120 -11.366 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.586 -5.380 -9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.050 -5.051 -9.540 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.975 -5.262 -13.335 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.896 -5.570 -10.603 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.822 -5.780 -14.400 1.00 0.00 H new ATOM 0 HH TYR A 60 1.657 -6.113 -14.123 1.00 0.00 H new ATOM 888 N GLN A 61 8.001 -2.063 -11.978 1.00 0.00 N ATOM 889 CA GLN A 61 8.245 -1.278 -13.182 1.00 0.00 C ATOM 890 C GLN A 61 8.700 -2.172 -14.331 1.00 0.00 C ATOM 891 O GLN A 61 9.525 -3.066 -14.145 1.00 0.00 O ATOM 892 CB GLN A 61 9.296 -0.201 -12.911 1.00 0.00 C ATOM 893 CG GLN A 61 8.883 0.798 -11.844 1.00 0.00 C ATOM 894 CD GLN A 61 9.793 2.011 -11.796 1.00 0.00 C ATOM 895 OE1 GLN A 61 10.577 2.249 -12.714 1.00 0.00 O ATOM 896 NE2 GLN A 61 9.693 2.784 -10.721 1.00 0.00 N ATOM 0 H GLN A 61 8.831 -2.231 -11.410 1.00 0.00 H new ATOM 0 HA GLN A 61 7.309 -0.797 -13.468 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.226 -0.681 -12.606 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.502 0.335 -13.838 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.860 1.123 -12.033 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.887 0.307 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.029 2.549 -9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.280 3.613 -10.633 1.00 0.00 H new ATOM 970 N LEU A 66 6.864 4.212 -16.187 1.00 0.00 N ATOM 971 CA LEU A 66 5.966 3.959 -15.067 1.00 0.00 C ATOM 972 C LEU A 66 5.782 2.463 -14.835 1.00 0.00 C ATOM 973 O LEU A 66 6.106 1.646 -15.700 1.00 0.00 O ATOM 974 CB LEU A 66 4.609 4.616 -15.322 1.00 0.00 C ATOM 975 CG LEU A 66 4.019 4.361 -16.712 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.680 3.644 -16.606 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.864 5.668 -17.476 1.00 0.00 C ATOM 0 HA LEU A 66 6.414 4.391 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.903 4.259 -14.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.710 5.692 -15.178 1.00 0.00 H new ATOM 0 HG LEU A 66 4.708 3.720 -17.262 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.279 3.473 -17.605 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.818 2.688 -16.102 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.983 4.258 -16.035 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.443 5.466 -18.461 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.198 6.334 -16.927 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.839 6.142 -17.588 1.00 0.00 H new ATOM 989 N GLY A 67 5.261 2.112 -13.665 1.00 0.00 N ATOM 990 CA GLY A 67 5.041 0.715 -13.337 1.00 0.00 C ATOM 991 C GLY A 67 3.646 0.459 -12.802 1.00 0.00 C ATOM 992 O GLY A 67 2.869 1.394 -12.602 1.00 0.00 O ATOM 0 H GLY A 67 4.986 2.771 -12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.203 0.106 -14.226 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.775 0.399 -12.596 1.00 0.00 H new ATOM 996 N PHE A 68 3.327 -0.811 -12.570 1.00 0.00 N ATOM 997 CA PHE A 68 2.014 -1.188 -12.057 1.00 0.00 C ATOM 998 C PHE A 68 2.046 -1.344 -10.539 1.00 0.00 C ATOM 999 O PHE A 68 2.960 -1.957 -9.988 1.00 0.00 O ATOM 1000 CB PHE A 68 1.544 -2.488 -12.706 1.00 0.00 C ATOM 1001 CG PHE A 68 0.954 -2.299 -14.075 1.00 0.00 C ATOM 1002 CD1 PHE A 68 1.773 -2.198 -15.188 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.418 -2.217 -14.247 1.00 0.00 C ATOM 1004 CE1 PHE A 68 1.234 -2.022 -16.448 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -0.963 -2.042 -15.504 1.00 0.00 C ATOM 1006 CZ PHE A 68 -0.136 -1.944 -16.607 1.00 0.00 C ATOM 0 H PHE A 68 3.959 -1.596 -12.729 1.00 0.00 H new ATOM 0 HA PHE A 68 1.312 -0.392 -12.307 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.387 -3.175 -12.775 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.801 -2.958 -12.061 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.845 -2.258 -15.069 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.069 -2.291 -13.388 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.883 -1.945 -17.308 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.035 -1.982 -15.625 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.560 -1.807 -17.591 1.00 0.00 H new ATOM 1016 N GLU A 69 1.042 -0.784 -9.870 1.00 0.00 N ATOM 1017 CA GLU A 69 0.955 -0.859 -8.416 1.00 0.00 C ATOM 1018 C GLU A 69 -0.259 -1.672 -7.978 1.00 0.00 C ATOM 1019 O GLU A 69 -1.385 -1.412 -8.410 1.00 0.00 O ATOM 1020 CB GLU A 69 0.884 0.547 -7.816 1.00 0.00 C ATOM 1021 CG GLU A 69 1.925 0.801 -6.738 1.00 0.00 C ATOM 1022 CD GLU A 69 1.482 0.316 -5.373 1.00 0.00 C ATOM 1023 OE1 GLU A 69 0.624 -0.589 -5.314 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.992 0.844 -4.361 1.00 0.00 O ATOM 0 H GLU A 69 0.278 -0.273 -10.312 1.00 0.00 H new ATOM 0 HA GLU A 69 1.852 -1.360 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.012 1.280 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.109 0.704 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.855 0.303 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.138 1.869 -6.688 1.00 0.00 H new ATOM 1031 N MET A 70 -0.021 -2.648 -7.110 1.00 0.00 N ATOM 1032 CA MET A 70 -1.088 -3.497 -6.596 1.00 0.00 C ATOM 1033 C MET A 70 -1.273 -3.268 -5.101 1.00 0.00 C ATOM 1034 O MET A 70 -0.347 -3.471 -4.315 1.00 0.00 O ATOM 1035 CB MET A 70 -0.776 -4.971 -6.872 1.00 0.00 C ATOM 1036 CG MET A 70 -1.792 -5.651 -7.773 1.00 0.00 C ATOM 1037 SD MET A 70 -1.387 -5.486 -9.523 1.00 0.00 S ATOM 1038 CE MET A 70 -2.460 -6.729 -10.238 1.00 0.00 C ATOM 0 H MET A 70 0.905 -2.871 -6.746 1.00 0.00 H new ATOM 0 HA MET A 70 -2.015 -3.236 -7.106 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.210 -5.045 -7.330 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.728 -5.507 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.850 -6.709 -7.515 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.778 -5.224 -7.590 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.324 -6.748 -11.319 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.212 -7.706 -9.824 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.498 -6.490 -10.007 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.467 -2.835 -4.714 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.738 -2.578 -3.311 1.00 0.00 C ATOM 1050 C GLY A 71 -3.693 -3.585 -2.704 1.00 0.00 C ATOM 1051 O GLY A 71 -4.501 -4.189 -3.409 1.00 0.00 O ATOM 0 H GLY A 71 -3.250 -2.658 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.800 -2.593 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.156 -1.577 -3.204 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.600 -3.764 -1.391 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.462 -4.702 -0.683 1.00 0.00 C ATOM 1057 C TYR A 72 -5.101 -4.035 0.530 1.00 0.00 C ATOM 1058 O TYR A 72 -4.408 -3.651 1.470 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.666 -5.932 -0.245 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.120 -6.743 -1.400 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -2.006 -6.312 -2.109 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -3.718 -7.938 -1.779 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -1.504 -7.050 -3.165 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -3.223 -8.681 -2.832 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.116 -8.232 -3.522 1.00 0.00 C ATOM 1066 OH TYR A 72 -1.620 -8.970 -4.574 1.00 0.00 O ATOM 0 H TYR A 72 -2.935 -3.271 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.253 -5.018 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.838 -5.612 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.305 -6.570 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.524 -5.386 -1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.585 -8.292 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.637 -6.702 -3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.700 -9.608 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.165 -9.775 -4.694 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.421 -3.896 0.497 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.150 -3.269 1.596 1.00 0.00 C ATOM 1078 C ASP A 73 -7.559 -4.300 2.643 1.00 0.00 C ATOM 1079 O ASP A 73 -8.204 -5.302 2.326 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.386 -2.542 1.063 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.401 -1.073 1.439 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.830 -0.753 2.567 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -7.984 -0.243 0.604 1.00 0.00 O ATOM 0 H ASP A 73 -7.008 -4.208 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.488 -2.546 2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.420 -2.637 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.283 -3.023 1.453 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.181 -4.043 3.893 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.507 -4.943 4.994 1.00 0.00 C ATOM 1090 C TRP A 74 -7.914 -4.155 6.238 1.00 0.00 C ATOM 1091 O TRP A 74 -7.332 -3.113 6.547 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.310 -5.842 5.315 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.402 -7.199 4.686 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -5.860 -7.589 3.496 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -7.076 -8.344 5.216 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -6.156 -8.909 3.253 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.903 -9.394 4.294 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -7.811 -8.587 6.380 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -7.435 -10.665 4.502 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -8.340 -9.847 6.584 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -8.149 -10.872 5.650 1.00 0.00 C ATOM 0 H TRP A 74 -6.648 -3.218 4.168 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.349 -5.564 4.687 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.396 -5.353 4.976 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.229 -5.955 6.396 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.283 -6.953 2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.867 -9.441 2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.963 -7.803 7.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.289 -11.458 3.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.911 -10.044 7.479 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.574 -11.846 5.840 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.491 -9.630 0.467 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.354 -8.760 0.750 1.00 0.00 C ATOM 1363 C GLN A 92 -10.299 -7.604 -0.242 1.00 0.00 C ATOM 1364 O GLN A 92 -10.844 -7.692 -1.342 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.049 -9.557 0.694 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.737 -10.121 -0.683 1.00 0.00 C ATOM 1367 CD GLN A 92 -9.021 -11.607 -0.784 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -9.783 -12.160 0.008 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -8.406 -12.262 -1.763 1.00 0.00 N ATOM 0 HA GLN A 92 -10.479 -8.352 1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.227 -8.914 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.104 -10.378 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.327 -9.591 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.688 -9.939 -0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.782 -11.763 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.558 -13.264 -1.880 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.638 -6.518 0.150 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.532 -5.366 -0.723 1.00 0.00 C ATOM 1380 C GLY A 93 -8.421 -5.510 -1.745 1.00 0.00 C ATOM 1381 O GLY A 93 -7.290 -5.848 -1.397 1.00 0.00 O ATOM 0 H GLY A 93 -9.176 -6.417 1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.480 -5.218 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.355 -4.474 -0.122 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.744 -5.245 -3.007 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.763 -5.341 -4.087 1.00 0.00 C ATOM 1387 C VAL A 94 -7.699 -4.031 -4.867 1.00 0.00 C ATOM 1388 O VAL A 94 -8.697 -3.585 -5.432 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.085 -6.500 -5.060 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.246 -7.724 -4.727 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.568 -6.845 -5.032 1.00 0.00 C ATOM 0 H VAL A 94 -9.676 -4.962 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.797 -5.543 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.836 -6.171 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.486 -8.529 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.188 -7.474 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.462 -8.047 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.765 -7.663 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.852 -7.148 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.150 -5.972 -5.326 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.522 -3.413 -4.881 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.333 -2.145 -5.580 1.00 0.00 C ATOM 1403 C GLN A 95 -5.485 -2.319 -6.836 1.00 0.00 C ATOM 1404 O GLN A 95 -4.499 -3.056 -6.838 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.681 -1.122 -4.647 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.440 0.191 -4.557 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.520 1.396 -4.526 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -4.748 1.579 -3.585 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.597 2.226 -5.561 1.00 0.00 N ATOM 0 H GLN A 95 -5.686 -3.768 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.315 -1.783 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.599 -1.553 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.667 -0.923 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.115 0.275 -5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.059 0.188 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.252 2.036 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.002 3.053 -5.597 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.876 -1.621 -7.899 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.160 -1.676 -9.169 1.00 0.00 C ATOM 1420 C LEU A 96 -4.882 -0.263 -9.672 1.00 0.00 C ATOM 1421 O LEU A 96 -5.804 0.461 -10.049 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.982 -2.462 -10.199 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.493 -2.361 -11.648 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.517 -3.728 -12.317 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.349 -1.373 -12.429 1.00 0.00 C ATOM 0 H LEU A 96 -6.690 -1.007 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.208 -2.186 -9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.988 -3.512 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.014 -2.114 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.465 -2.000 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.167 -3.636 -13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.866 -4.412 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.535 -4.117 -12.314 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.989 -1.312 -13.456 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.386 -1.709 -12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.285 -0.389 -11.964 1.00 0.00 H new ATOM 1437 N THR A 97 -3.611 0.134 -9.665 1.00 0.00 N ATOM 1438 CA THR A 97 -3.238 1.473 -10.108 1.00 0.00 C ATOM 1439 C THR A 97 -1.832 1.497 -10.697 1.00 0.00 C ATOM 1440 O THR A 97 -1.073 0.538 -10.564 1.00 0.00 O ATOM 1441 CB THR A 97 -3.324 2.458 -8.937 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.562 3.625 -9.199 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.833 1.879 -7.627 1.00 0.00 C ATOM 0 H THR A 97 -2.830 -0.447 -9.360 1.00 0.00 H new ATOM 0 HA THR A 97 -3.938 1.770 -10.889 1.00 0.00 H new ATOM 0 HB THR A 97 -4.384 2.692 -8.840 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.608 3.419 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.922 2.629 -6.841 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.434 1.008 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.789 1.582 -7.729 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.490 2.614 -11.333 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.172 2.788 -11.932 1.00 0.00 C ATOM 1453 C ALA A 98 0.684 3.704 -11.064 1.00 0.00 C ATOM 1454 O ALA A 98 0.272 4.814 -10.727 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.299 3.350 -13.339 1.00 0.00 C ATOM 0 H ALA A 98 -2.111 3.415 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 98 0.315 1.815 -11.994 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.693 3.474 -13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.880 2.663 -13.954 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.802 4.317 -13.301 1.00 0.00 H new ATOM 1461 N LYS A 99 1.868 3.228 -10.690 1.00 0.00 N ATOM 1462 CA LYS A 99 2.770 4.004 -9.843 1.00 0.00 C ATOM 1463 C LYS A 99 3.926 4.596 -10.642 1.00 0.00 C ATOM 1464 O LYS A 99 4.583 3.901 -11.415 1.00 0.00 O ATOM 1465 CB LYS A 99 3.320 3.128 -8.717 1.00 0.00 C ATOM 1466 CG LYS A 99 3.483 3.862 -7.396 1.00 0.00 C ATOM 1467 CD LYS A 99 4.566 3.231 -6.537 1.00 0.00 C ATOM 1468 CE LYS A 99 5.956 3.626 -7.011 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.900 2.476 -6.988 1.00 0.00 N ATOM 0 H LYS A 99 2.225 2.311 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 99 2.195 4.828 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.653 2.279 -8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.286 2.726 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.731 4.906 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.537 3.853 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.434 3.538 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.466 2.146 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.894 4.024 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.342 4.425 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.835 2.788 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.979 2.111 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.546 1.724 -7.612 1.00 0.00 H new ATOM 1483 N LEU A 100 4.176 5.885 -10.431 1.00 0.00 N ATOM 1484 CA LEU A 100 5.264 6.575 -11.113 1.00 0.00 C ATOM 1485 C LEU A 100 6.050 7.435 -10.126 1.00 0.00 C ATOM 1486 O LEU A 100 5.517 8.383 -9.550 1.00 0.00 O ATOM 1487 CB LEU A 100 4.724 7.436 -12.261 1.00 0.00 C ATOM 1488 CG LEU A 100 4.021 8.730 -11.843 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.017 9.878 -11.771 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.897 9.063 -12.814 1.00 0.00 C ATOM 0 H LEU A 100 3.639 6.472 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 100 5.935 5.826 -11.533 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.553 7.691 -12.921 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.025 6.836 -12.844 1.00 0.00 H new ATOM 0 HG LEU A 100 3.590 8.583 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.500 10.790 -11.472 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.790 9.643 -11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.475 10.024 -12.749 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.408 9.986 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.307 9.191 -13.816 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.170 8.251 -12.821 1.00 0.00 H new ATOM 1502 N GLY A 101 7.319 7.088 -9.928 1.00 0.00 N ATOM 1503 CA GLY A 101 8.160 7.829 -9.006 1.00 0.00 C ATOM 1504 C GLY A 101 9.626 7.465 -9.131 1.00 0.00 C ATOM 1505 O GLY A 101 9.975 6.490 -9.798 1.00 0.00 O ATOM 0 H GLY A 101 7.780 6.305 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.038 8.897 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.828 7.639 -7.985 1.00 0.00 H new ATOM 1509 N TYR A 102 10.488 8.249 -8.490 1.00 0.00 N ATOM 1510 CA TYR A 102 11.926 7.999 -8.533 1.00 0.00 C ATOM 1511 C TYR A 102 12.658 8.812 -7.467 1.00 0.00 C ATOM 1512 O TYR A 102 12.090 9.731 -6.877 1.00 0.00 O ATOM 1513 CB TYR A 102 12.480 8.336 -9.919 1.00 0.00 C ATOM 1514 CG TYR A 102 12.461 7.167 -10.880 1.00 0.00 C ATOM 1515 CD1 TYR A 102 13.255 6.050 -10.662 1.00 0.00 C ATOM 1516 CD2 TYR A 102 11.647 7.183 -12.007 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.241 4.980 -11.537 1.00 0.00 C ATOM 1518 CE2 TYR A 102 11.627 6.117 -12.887 1.00 0.00 C ATOM 1519 CZ TYR A 102 12.426 5.020 -12.649 1.00 0.00 C ATOM 1520 OH TYR A 102 12.409 3.957 -13.523 1.00 0.00 O ATOM 0 H TYR A 102 10.217 9.061 -7.936 1.00 0.00 H new ATOM 0 HA TYR A 102 12.090 6.941 -8.329 1.00 0.00 H new ATOM 0 HB2 TYR A 102 11.899 9.154 -10.344 1.00 0.00 H new ATOM 0 HB3 TYR A 102 13.505 8.693 -9.815 1.00 0.00 H new ATOM 0 HD1 TYR A 102 13.895 6.016 -9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 102 11.020 8.042 -12.198 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.864 4.118 -11.351 1.00 0.00 H new ATOM 0 HE2 TYR A 102 10.988 6.144 -13.757 1.00 0.00 H new ATOM 0 HH TYR A 102 11.615 3.408 -13.354 1.00 0.00 H new ATOM 1530 N PRO A 103 13.940 8.488 -7.210 1.00 0.00 N ATOM 1531 CA PRO A 103 14.749 9.201 -6.214 1.00 0.00 C ATOM 1532 C PRO A 103 14.750 10.706 -6.453 1.00 0.00 C ATOM 1533 O PRO A 103 14.311 11.173 -7.503 1.00 0.00 O ATOM 1534 CB PRO A 103 16.156 8.628 -6.416 1.00 0.00 C ATOM 1535 CG PRO A 103 15.942 7.291 -7.038 1.00 0.00 C ATOM 1536 CD PRO A 103 14.697 7.411 -7.874 1.00 0.00 C ATOM 0 HA PRO A 103 14.365 9.067 -5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.756 9.271 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.687 8.542 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.797 7.006 -7.651 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.826 6.521 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.931 7.663 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.134 6.478 -7.893 1.00 0.00 H new ATOM 1601 N LEU A 108 16.104 9.227 -1.016 1.00 0.00 N ATOM 1602 CA LEU A 108 14.803 9.881 -0.928 1.00 0.00 C ATOM 1603 C LEU A 108 14.101 9.821 -2.281 1.00 0.00 C ATOM 1604 O LEU A 108 14.600 10.362 -3.267 1.00 0.00 O ATOM 1605 CB LEU A 108 14.956 11.341 -0.472 1.00 0.00 C ATOM 1606 CG LEU A 108 16.358 11.746 -0.003 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.540 13.253 -0.100 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.602 11.273 1.423 1.00 0.00 C ATOM 0 HA LEU A 108 14.199 9.356 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.666 11.992 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.254 11.524 0.341 1.00 0.00 H new ATOM 0 HG LEU A 108 17.088 11.268 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.541 13.521 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.409 13.569 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.801 13.750 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.602 11.570 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.864 11.723 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.515 10.187 1.466 1.00 0.00 H new ATOM 1620 N ASP A 109 12.953 9.147 -2.334 1.00 0.00 N ATOM 1621 CA ASP A 109 12.219 9.013 -3.589 1.00 0.00 C ATOM 1622 C ASP A 109 10.775 9.491 -3.461 1.00 0.00 C ATOM 1623 O ASP A 109 10.183 9.451 -2.383 1.00 0.00 O ATOM 1624 CB ASP A 109 12.237 7.559 -4.063 1.00 0.00 C ATOM 1625 CG ASP A 109 13.626 6.950 -4.039 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.341 7.138 -3.034 1.00 0.00 O ATOM 1627 OD2 ASP A 109 13.997 6.283 -5.027 1.00 0.00 O ATOM 0 H ASP A 109 12.516 8.691 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 109 12.719 9.645 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.575 6.967 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.840 7.507 -5.077 1.00 0.00 H new ATOM 1632 N ILE A 110 10.220 9.932 -4.586 1.00 0.00 N ATOM 1633 CA ILE A 110 8.844 10.410 -4.642 1.00 0.00 C ATOM 1634 C ILE A 110 8.067 9.644 -5.710 1.00 0.00 C ATOM 1635 O ILE A 110 8.537 9.499 -6.841 1.00 0.00 O ATOM 1636 CB ILE A 110 8.791 11.927 -4.943 1.00 0.00 C ATOM 1637 CG1 ILE A 110 7.351 12.376 -5.254 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.738 12.276 -6.084 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.050 12.530 -6.735 1.00 0.00 C ATOM 0 H ILE A 110 10.709 9.968 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 110 8.387 10.238 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 110 9.119 12.467 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.657 11.652 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.164 13.328 -4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.689 13.347 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.757 12.005 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.447 11.727 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.016 12.849 -6.865 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.717 13.277 -7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.201 11.575 -7.238 1.00 0.00 H new ATOM 1651 N TYR A 111 6.887 9.144 -5.351 1.00 0.00 N ATOM 1652 CA TYR A 111 6.072 8.386 -6.293 1.00 0.00 C ATOM 1653 C TYR A 111 4.585 8.655 -6.089 1.00 0.00 C ATOM 1654 O TYR A 111 4.149 9.001 -4.989 1.00 0.00 O ATOM 1655 CB TYR A 111 6.351 6.889 -6.149 1.00 0.00 C ATOM 1656 CG TYR A 111 5.959 6.325 -4.803 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.674 5.846 -4.578 1.00 0.00 C ATOM 1658 CD2 TYR A 111 6.872 6.275 -3.757 1.00 0.00 C ATOM 1659 CE1 TYR A 111 4.311 5.330 -3.349 1.00 0.00 C ATOM 1660 CE2 TYR A 111 6.515 5.760 -2.525 1.00 0.00 C ATOM 1661 CZ TYR A 111 5.235 5.289 -2.327 1.00 0.00 C ATOM 1662 OH TYR A 111 4.877 4.774 -1.101 1.00 0.00 O ATOM 0 H TYR A 111 6.478 9.249 -4.423 1.00 0.00 H new ATOM 0 HA TYR A 111 6.341 8.711 -7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.812 6.351 -6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.413 6.709 -6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.948 5.878 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.876 6.644 -3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.309 4.961 -3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.236 5.727 -1.721 1.00 0.00 H new ATOM 0 HH TYR A 111 4.188 4.088 -1.223 1.00 0.00 H new ATOM 1672 N THR A 112 3.812 8.487 -7.157 1.00 0.00 N ATOM 1673 CA THR A 112 2.372 8.703 -7.104 1.00 0.00 C ATOM 1674 C THR A 112 1.633 7.597 -7.852 1.00 0.00 C ATOM 1675 O THR A 112 2.000 7.240 -8.972 1.00 0.00 O ATOM 1676 CB THR A 112 2.016 10.067 -7.703 1.00 0.00 C ATOM 1677 OG1 THR A 112 0.614 10.194 -7.861 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.654 10.314 -9.053 1.00 0.00 C ATOM 0 H THR A 112 4.161 8.201 -8.072 1.00 0.00 H new ATOM 0 HA THR A 112 2.063 8.683 -6.059 1.00 0.00 H new ATOM 0 HB THR A 112 2.403 10.802 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 112 0.406 11.072 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.360 11.298 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.739 10.272 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.323 9.551 -9.757 1.00 0.00 H new ATOM 1686 N ARG A 113 0.592 7.053 -7.227 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.190 5.985 -7.838 1.00 0.00 C ATOM 1688 C ARG A 113 -1.593 6.467 -8.199 1.00 0.00 C ATOM 1689 O ARG A 113 -2.302 7.027 -7.363 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.277 4.781 -6.895 1.00 0.00 C ATOM 1691 CG ARG A 113 -1.151 5.019 -5.673 1.00 0.00 C ATOM 1692 CD ARG A 113 -0.657 4.231 -4.471 1.00 0.00 C ATOM 1693 NE ARG A 113 0.253 5.014 -3.640 1.00 0.00 N ATOM 1694 CZ ARG A 113 0.682 4.627 -2.441 1.00 0.00 C ATOM 1695 NH1 ARG A 113 0.289 3.466 -1.932 1.00 0.00 N ATOM 1696 NH2 ARG A 113 1.508 5.400 -1.750 1.00 0.00 N ATOM 0 H ARG A 113 0.272 7.334 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 113 0.315 5.684 -8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.667 3.926 -7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.728 4.516 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.161 6.082 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.179 4.734 -5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.510 3.911 -3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.150 3.328 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 113 0.579 5.911 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.345 2.866 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.621 3.174 -1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.815 6.292 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.836 5.103 -0.831 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.987 6.238 -9.450 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.308 6.641 -9.926 1.00 0.00 C ATOM 1712 C LEU A 114 -4.058 5.445 -10.507 1.00 0.00 C ATOM 1713 O LEU A 114 -3.566 4.775 -11.417 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.182 7.745 -10.980 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.506 8.228 -11.582 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.469 9.729 -11.835 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.808 7.478 -12.871 1.00 0.00 C ATOM 0 H LEU A 114 -1.410 5.775 -10.152 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.873 7.027 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.673 8.598 -10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.545 7.383 -11.787 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.302 8.023 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.419 10.049 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.299 10.252 -10.894 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.662 9.961 -12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.751 7.833 -13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.007 7.652 -13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.882 6.411 -12.662 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.247 5.175 -9.972 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.037 4.056 -10.453 1.00 0.00 C ATOM 1731 C GLY A 115 -7.343 3.899 -9.698 1.00 0.00 C ATOM 1732 O GLY A 115 -8.070 4.873 -9.498 1.00 0.00 O ATOM 0 H GLY A 115 -5.675 5.710 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.249 4.194 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.455 3.139 -10.361 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.646 2.674 -9.278 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.876 2.429 -8.549 1.00 0.00 C ATOM 1738 C GLY A 116 -8.746 1.310 -7.537 1.00 0.00 C ATOM 1739 O GLY A 116 -7.757 0.578 -7.532 1.00 0.00 O ATOM 0 H GLY A 116 -7.064 1.850 -9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.177 3.343 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.669 2.183 -9.256 1.00 0.00 H new ATOM 1743 N MET A 117 -9.752 1.177 -6.680 1.00 0.00 N ATOM 1744 CA MET A 117 -9.754 0.141 -5.656 1.00 0.00 C ATOM 1745 C MET A 117 -11.059 -0.646 -5.685 1.00 0.00 C ATOM 1746 O MET A 117 -12.137 -0.075 -5.868 1.00 0.00 O ATOM 1747 CB MET A 117 -9.551 0.762 -4.273 1.00 0.00 C ATOM 1748 CG MET A 117 -10.677 1.692 -3.851 1.00 0.00 C ATOM 1749 SD MET A 117 -11.801 0.930 -2.665 1.00 0.00 S ATOM 1750 CE MET A 117 -11.742 2.122 -1.330 1.00 0.00 C ATOM 0 H MET A 117 -10.578 1.775 -6.675 1.00 0.00 H new ATOM 0 HA MET A 117 -8.931 -0.543 -5.864 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.455 -0.036 -3.537 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.612 1.316 -4.267 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.252 2.595 -3.414 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.239 1.999 -4.733 1.00 0.00 H new ATOM 0 HE1 MET A 117 -12.389 1.791 -0.518 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.718 2.210 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 117 -12.083 3.092 -1.693 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.954 -1.958 -5.504 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.124 -2.831 -5.509 1.00 0.00 C ATOM 1762 C VAL A 118 -12.177 -3.673 -4.239 1.00 0.00 C ATOM 1763 O VAL A 118 -11.176 -4.263 -3.832 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.132 -3.770 -6.733 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.553 -4.204 -7.061 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.482 -3.103 -7.940 1.00 0.00 C ATOM 0 H VAL A 118 -10.069 -2.442 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.000 -2.184 -5.558 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.547 -4.656 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.541 -4.866 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.979 -4.731 -6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.159 -3.326 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.501 -3.787 -8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.030 -2.196 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.449 -2.849 -7.703 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.349 -3.725 -3.612 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.522 -4.495 -2.385 1.00 0.00 C ATOM 1778 C TRP A 119 -14.800 -5.328 -2.439 1.00 0.00 C ATOM 1779 O TRP A 119 -15.831 -4.871 -2.931 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.560 -3.562 -1.172 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.619 -4.292 0.135 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.560 -4.682 0.903 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.797 -4.716 0.827 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -13.009 -5.325 2.032 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -14.379 -5.359 2.009 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -16.166 -4.616 0.563 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -15.281 -5.897 2.923 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -17.060 -5.151 1.471 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -16.615 -5.785 2.639 1.00 0.00 C ATOM 0 H TRP A 119 -14.190 -3.245 -3.932 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.672 -5.171 -2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.676 -2.925 -1.185 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.427 -2.906 -1.254 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -11.522 -4.511 0.659 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.419 -5.714 2.767 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.519 -4.129 -0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.940 -6.385 3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.120 -5.079 1.277 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.339 -6.193 3.329 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.237 -0.318 -4.828 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.293 -0.084 -5.913 1.00 0.00 C ATOM 2093 C VAL A 141 -15.314 1.376 -6.352 1.00 0.00 C ATOM 2094 O VAL A 141 -16.363 1.908 -6.715 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.601 -0.982 -7.129 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -16.990 -0.690 -7.673 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.547 -0.804 -8.211 1.00 0.00 C ATOM 0 HA VAL A 141 -14.302 -0.331 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.576 -2.021 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.188 -1.334 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.732 -0.880 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.048 0.354 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.784 -1.447 -9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.532 0.236 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.569 -1.074 -7.814 1.00 0.00 H new ATOM 2107 N SER A 142 -14.152 2.024 -6.314 1.00 0.00 N ATOM 2108 CA SER A 142 -14.054 3.427 -6.708 1.00 0.00 C ATOM 2109 C SER A 142 -12.629 3.793 -7.118 1.00 0.00 C ATOM 2110 O SER A 142 -11.661 3.222 -6.618 1.00 0.00 O ATOM 2111 CB SER A 142 -14.511 4.331 -5.562 1.00 0.00 C ATOM 2112 OG SER A 142 -15.450 3.669 -4.732 1.00 0.00 O ATOM 0 H SER A 142 -13.271 1.604 -6.017 1.00 0.00 H new ATOM 0 HA SER A 142 -14.705 3.576 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.649 4.636 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.956 5.240 -5.967 1.00 0.00 H new ATOM 0 HG SER A 142 -15.725 4.268 -4.007 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.486 4.765 -8.039 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.177 5.218 -8.517 1.00 0.00 C ATOM 2120 C PRO A 143 -10.500 6.165 -7.529 1.00 0.00 C ATOM 2121 O PRO A 143 -11.159 7.005 -6.916 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.523 5.955 -9.809 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.890 6.497 -9.573 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.591 5.502 -8.684 1.00 0.00 C ATOM 0 HA PRO A 143 -10.475 4.395 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.809 6.753 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.505 5.283 -10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.843 7.477 -9.098 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.426 6.623 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.223 5.999 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.234 4.836 -9.259 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.185 6.027 -7.378 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.435 6.878 -6.462 1.00 0.00 C ATOM 2134 C VAL A 144 -6.962 6.949 -6.848 1.00 0.00 C ATOM 2135 O VAL A 144 -6.457 6.091 -7.572 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.545 6.379 -5.007 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.992 6.420 -4.534 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.971 4.976 -4.872 1.00 0.00 C ATOM 0 H VAL A 144 -8.621 5.338 -7.875 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.875 7.873 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.960 7.045 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -10.049 6.064 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.363 7.444 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.602 5.781 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.059 4.645 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.522 4.294 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.920 4.983 -5.162 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.278 7.975 -6.353 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.861 8.162 -6.636 1.00 0.00 C ATOM 2150 C PHE A 145 -4.133 8.676 -5.398 1.00 0.00 C ATOM 2151 O PHE A 145 -4.486 9.718 -4.848 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.676 9.141 -7.796 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.414 10.436 -7.610 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -6.798 10.475 -7.678 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.725 11.613 -7.365 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.479 11.665 -7.505 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.402 12.806 -7.192 1.00 0.00 C ATOM 2158 CZ PHE A 145 -6.781 12.831 -7.263 1.00 0.00 C ATOM 0 H PHE A 145 -6.684 8.692 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.436 7.198 -6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.613 9.352 -7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.015 8.668 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.350 9.566 -7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.647 11.598 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.557 11.683 -7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.853 13.717 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.313 13.762 -7.129 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.119 7.936 -4.959 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.352 8.321 -3.781 1.00 0.00 C ATOM 2170 C ALA A 146 -0.928 8.723 -4.149 1.00 0.00 C ATOM 2171 O ALA A 146 -0.282 8.079 -4.973 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.334 7.182 -2.772 1.00 0.00 C ATOM 0 H ALA A 146 -2.811 7.069 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.838 9.188 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.758 7.481 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.355 6.946 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.876 6.302 -3.224 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.447 9.791 -3.523 1.00 0.00 N ATOM 2179 CA GLY A 147 0.900 10.264 -3.785 1.00 0.00 C ATOM 2180 C GLY A 147 1.696 10.433 -2.507 1.00 0.00 C ATOM 2181 O GLY A 147 1.173 10.923 -1.508 1.00 0.00 O ATOM 0 H GLY A 147 -0.967 10.339 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.411 9.560 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.854 11.216 -4.313 1.00 0.00 H new ATOM 2185 N GLY A 148 2.961 10.023 -2.531 1.00 0.00 N ATOM 2186 CA GLY A 148 3.787 10.145 -1.347 1.00 0.00 C ATOM 2187 C GLY A 148 5.267 10.009 -1.639 1.00 0.00 C ATOM 2188 O GLY A 148 5.693 10.076 -2.794 1.00 0.00 O ATOM 0 H GLY A 148 3.424 9.612 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.602 11.113 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.493 9.382 -0.626 1.00 0.00 H new ATOM 2192 N VAL A 149 6.051 9.816 -0.584 1.00 0.00 N ATOM 2193 CA VAL A 149 7.495 9.671 -0.720 1.00 0.00 C ATOM 2194 C VAL A 149 8.015 8.519 0.133 1.00 0.00 C ATOM 2195 O VAL A 149 7.301 8.002 0.992 1.00 0.00 O ATOM 2196 CB VAL A 149 8.226 10.967 -0.320 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.948 12.068 -1.333 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.814 11.404 1.079 1.00 0.00 C ATOM 0 H VAL A 149 5.710 9.756 0.375 1.00 0.00 H new ATOM 0 HA VAL A 149 7.697 9.458 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 149 9.298 10.771 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.472 12.977 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.296 11.754 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.876 12.263 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.341 12.321 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.739 11.583 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 149 8.067 10.621 1.794 1.00 0.00 H new ATOM 2208 N GLU A 150 9.260 8.119 -0.107 1.00 0.00 N ATOM 2209 CA GLU A 150 9.863 7.025 0.646 1.00 0.00 C ATOM 2210 C GLU A 150 11.293 7.360 1.054 1.00 0.00 C ATOM 2211 O GLU A 150 12.047 7.966 0.288 1.00 0.00 O ATOM 2212 CB GLU A 150 9.846 5.737 -0.181 1.00 0.00 C ATOM 2213 CG GLU A 150 10.660 5.823 -1.460 1.00 0.00 C ATOM 2214 CD GLU A 150 10.820 4.477 -2.139 1.00 0.00 C ATOM 2215 OE1 GLU A 150 9.815 3.743 -2.249 1.00 0.00 O ATOM 2216 OE2 GLU A 150 11.951 4.156 -2.561 1.00 0.00 O ATOM 0 H GLU A 150 9.868 8.534 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 150 9.274 6.878 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 150 10.229 4.919 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 150 8.814 5.491 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.178 6.518 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 150 11.645 6.231 -1.233 1.00 0.00 H new ATOM 2223 N TRP A 151 11.656 6.959 2.270 1.00 0.00 N ATOM 2224 CA TRP A 151 12.992 7.209 2.798 1.00 0.00 C ATOM 2225 C TRP A 151 13.672 5.898 3.183 1.00 0.00 C ATOM 2226 O TRP A 151 13.149 5.129 3.990 1.00 0.00 O ATOM 2227 CB TRP A 151 12.917 8.135 4.014 1.00 0.00 C ATOM 2228 CG TRP A 151 13.934 9.235 3.988 1.00 0.00 C ATOM 2229 CD1 TRP A 151 13.739 10.522 3.577 1.00 0.00 C ATOM 2230 CD2 TRP A 151 15.306 9.146 4.392 1.00 0.00 C ATOM 2231 NE1 TRP A 151 14.904 11.239 3.700 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.882 10.415 4.197 1.00 0.00 C ATOM 2233 CE3 TRP A 151 16.103 8.115 4.898 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 17.216 10.681 4.492 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 17.427 8.380 5.190 1.00 0.00 C ATOM 2236 CH2 TRP A 151 17.973 9.654 4.987 1.00 0.00 C ATOM 0 H TRP A 151 11.040 6.458 2.910 1.00 0.00 H new ATOM 0 HA TRP A 151 13.583 7.692 2.020 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.920 8.573 4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.054 7.545 4.920 1.00 0.00 H new ATOM 0 HD1 TRP A 151 12.805 10.919 3.209 1.00 0.00 H new ATOM 0 HE1 TRP A 151 15.023 12.223 3.461 1.00 0.00 H new ATOM 0 HE3 TRP A 151 15.691 7.129 5.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.638 11.663 4.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 18.052 7.591 5.582 1.00 0.00 H new ATOM 0 HH2 TRP A 151 19.012 9.829 5.226 1.00 0.00 H new ATOM 2247 N ALA A 152 14.840 5.649 2.599 1.00 0.00 N ATOM 2248 CA ALA A 152 15.590 4.430 2.880 1.00 0.00 C ATOM 2249 C ALA A 152 16.420 4.574 4.150 1.00 0.00 C ATOM 2250 O ALA A 152 17.125 5.566 4.333 1.00 0.00 O ATOM 2251 CB ALA A 152 16.483 4.078 1.699 1.00 0.00 C ATOM 0 H ALA A 152 15.287 6.275 1.929 1.00 0.00 H new ATOM 0 HA ALA A 152 14.876 3.621 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.038 3.166 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.869 3.922 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.183 4.893 1.517 1.00 0.00 H new ATOM 2257 N VAL A 153 16.329 3.578 5.026 1.00 0.00 N ATOM 2258 CA VAL A 153 17.073 3.594 6.279 1.00 0.00 C ATOM 2259 C VAL A 153 18.323 2.717 6.186 1.00 0.00 C ATOM 2260 O VAL A 153 19.443 3.217 6.280 1.00 0.00 O ATOM 2261 CB VAL A 153 16.189 3.132 7.461 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.025 2.875 8.708 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.109 4.165 7.750 1.00 0.00 C ATOM 0 H VAL A 153 15.748 2.751 4.891 1.00 0.00 H new ATOM 0 HA VAL A 153 17.382 4.623 6.461 1.00 0.00 H new ATOM 0 HB VAL A 153 15.712 2.194 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.375 2.552 9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.760 2.097 8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.539 3.792 8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.495 3.826 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.575 5.117 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.483 4.293 6.867 1.00 0.00 H new ATOM 2323 N ILE A 157 14.913 -2.216 3.817 1.00 0.00 N ATOM 2324 CA ILE A 157 13.559 -1.833 4.198 1.00 0.00 C ATOM 2325 C ILE A 157 13.466 -0.330 4.435 1.00 0.00 C ATOM 2326 O ILE A 157 14.132 0.212 5.319 1.00 0.00 O ATOM 2327 CB ILE A 157 13.102 -2.572 5.469 1.00 0.00 C ATOM 2328 CG1 ILE A 157 13.387 -4.069 5.346 1.00 0.00 C ATOM 2329 CG2 ILE A 157 11.621 -2.328 5.721 1.00 0.00 C ATOM 2330 CD1 ILE A 157 13.239 -4.822 6.651 1.00 0.00 C ATOM 0 HA ILE A 157 12.904 -2.112 3.373 1.00 0.00 H new ATOM 0 HB ILE A 157 13.664 -2.183 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 157 12.710 -4.500 4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 157 14.400 -4.208 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 157 11.313 -2.857 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 157 11.445 -1.260 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.043 -2.692 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 157 13.456 -5.878 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 157 13.935 -4.417 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 157 12.219 -4.714 7.020 1.00 0.00 H new ATOM 2342 N ALA A 158 12.645 0.340 3.635 1.00 0.00 N ATOM 2343 CA ALA A 158 12.471 1.782 3.753 1.00 0.00 C ATOM 2344 C ALA A 158 11.055 2.137 4.195 1.00 0.00 C ATOM 2345 O ALA A 158 10.143 1.315 4.115 1.00 0.00 O ATOM 2346 CB ALA A 158 12.790 2.454 2.426 1.00 0.00 C ATOM 0 H ALA A 158 12.089 -0.093 2.897 1.00 0.00 H new ATOM 0 HA ALA A 158 13.160 2.144 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.657 3.532 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.822 2.239 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.120 2.074 1.655 1.00 0.00 H new ATOM 2352 N THR A 159 10.880 3.373 4.653 1.00 0.00 N ATOM 2353 CA THR A 159 9.577 3.851 5.100 1.00 0.00 C ATOM 2354 C THR A 159 9.042 4.896 4.130 1.00 0.00 C ATOM 2355 O THR A 159 9.805 5.691 3.585 1.00 0.00 O ATOM 2356 CB THR A 159 9.677 4.442 6.507 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.404 4.858 6.968 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.607 5.634 6.588 1.00 0.00 C ATOM 0 H THR A 159 11.627 4.063 4.724 1.00 0.00 H new ATOM 0 HA THR A 159 8.888 3.007 5.127 1.00 0.00 H new ATOM 0 HB THR A 159 10.080 3.643 7.129 1.00 0.00 H new ATOM 0 HG1 THR A 159 7.705 4.381 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.633 6.006 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.610 5.334 6.285 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.248 6.421 5.925 1.00 0.00 H new ATOM 2366 N ARG A 160 7.733 4.887 3.905 1.00 0.00 N ATOM 2367 CA ARG A 160 7.125 5.838 2.983 1.00 0.00 C ATOM 2368 C ARG A 160 5.829 6.417 3.538 1.00 0.00 C ATOM 2369 O ARG A 160 5.074 5.740 4.239 1.00 0.00 O ATOM 2370 CB ARG A 160 6.856 5.166 1.636 1.00 0.00 C ATOM 2371 CG ARG A 160 5.955 3.946 1.735 1.00 0.00 C ATOM 2372 CD ARG A 160 6.732 2.657 1.515 1.00 0.00 C ATOM 2373 NE ARG A 160 6.522 2.115 0.174 1.00 0.00 N ATOM 2374 CZ ARG A 160 5.441 1.427 -0.186 1.00 0.00 C ATOM 2375 NH1 ARG A 160 4.469 1.197 0.689 1.00 0.00 N ATOM 2376 NH2 ARG A 160 5.331 0.968 -1.425 1.00 0.00 N ATOM 0 H ARG A 160 7.079 4.239 4.343 1.00 0.00 H new ATOM 0 HA ARG A 160 7.828 6.660 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.399 5.891 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.806 4.871 1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.480 3.922 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.157 4.021 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.795 2.843 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.427 1.919 2.257 1.00 0.00 H new ATOM 0 HE ARG A 160 7.246 2.273 -0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.548 1.548 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.643 0.669 0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 160 6.074 1.142 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.503 0.441 -1.702 1.00 0.00 H new ATOM 2390 N LEU A 161 5.576 7.677 3.197 1.00 0.00 N ATOM 2391 CA LEU A 161 4.371 8.372 3.628 1.00 0.00 C ATOM 2392 C LEU A 161 3.526 8.737 2.413 1.00 0.00 C ATOM 2393 O LEU A 161 4.014 9.381 1.481 1.00 0.00 O ATOM 2394 CB LEU A 161 4.736 9.634 4.413 1.00 0.00 C ATOM 2395 CG LEU A 161 3.789 9.984 5.562 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.316 11.180 6.342 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.391 10.264 5.031 1.00 0.00 C ATOM 0 H LEU A 161 6.198 8.241 2.617 1.00 0.00 H new ATOM 0 HA LEU A 161 3.797 7.713 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.741 9.513 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.769 10.476 3.721 1.00 0.00 H new ATOM 0 HG LEU A 161 3.735 9.131 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.630 11.415 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.298 10.943 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.399 12.040 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.729 10.511 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.427 11.101 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.013 9.380 4.517 1.00 0.00 H new ATOM 2409 N GLU A 162 2.265 8.310 2.416 1.00 0.00 N ATOM 2410 CA GLU A 162 1.368 8.585 1.297 1.00 0.00 C ATOM 2411 C GLU A 162 0.194 9.461 1.723 1.00 0.00 C ATOM 2412 O GLU A 162 -0.359 9.296 2.810 1.00 0.00 O ATOM 2413 CB GLU A 162 0.849 7.275 0.702 1.00 0.00 C ATOM 2414 CG GLU A 162 0.067 6.425 1.692 1.00 0.00 C ATOM 2415 CD GLU A 162 0.407 4.951 1.588 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.257 4.242 0.800 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.334 4.504 2.295 1.00 0.00 O ATOM 0 H GLU A 162 1.844 7.776 3.176 1.00 0.00 H new ATOM 0 HA GLU A 162 1.937 9.127 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.212 7.501 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 162 1.693 6.697 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 162 0.273 6.771 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -1.001 6.561 1.519 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.184 10.387 0.847 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.295 11.292 1.114 1.00 0.00 C ATOM 2426 C TYR A 163 -2.210 11.387 -0.103 1.00 0.00 C ATOM 2427 O TYR A 163 -1.792 11.110 -1.228 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.773 12.681 1.487 1.00 0.00 C ATOM 2429 CG TYR A 163 0.329 13.178 0.578 1.00 0.00 C ATOM 2430 CD1 TYR A 163 1.657 12.855 0.827 1.00 0.00 C ATOM 2431 CD2 TYR A 163 0.042 13.967 -0.527 1.00 0.00 C ATOM 2432 CE1 TYR A 163 2.668 13.307 0.000 1.00 0.00 C ATOM 2433 CE2 TYR A 163 1.046 14.423 -1.360 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.358 14.090 -1.092 1.00 0.00 C ATOM 2435 OH TYR A 163 3.360 14.540 -1.919 1.00 0.00 O ATOM 0 H TYR A 163 0.266 10.530 -0.057 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.868 10.895 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.601 13.390 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.404 12.658 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 163 1.903 12.241 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -0.984 14.229 -0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 163 3.696 13.048 0.208 1.00 0.00 H new ATOM 0 HE2 TYR A 163 0.805 15.036 -2.216 1.00 0.00 H new ATOM 0 HH TYR A 163 2.972 15.077 -2.641 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.458 11.780 0.126 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.428 11.908 -0.957 1.00 0.00 C ATOM 2447 C GLN A 164 -4.288 13.257 -1.656 1.00 0.00 C ATOM 2448 O GLN A 164 -3.870 13.327 -2.811 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.851 11.741 -0.422 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.768 10.981 -1.365 1.00 0.00 C ATOM 2451 CD GLN A 164 -8.232 11.128 -1.003 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.694 12.221 -0.672 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -8.970 10.027 -1.062 1.00 0.00 N ATOM 0 H GLN A 164 -3.822 12.015 1.049 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.228 11.120 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.812 11.219 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.276 12.726 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.612 11.338 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.499 9.925 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -8.545 9.143 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -9.962 10.065 -0.828 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.236 10.304 4.644 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.798 10.113 4.790 1.00 0.00 C ATOM 2726 C LEU A 184 -2.500 8.855 5.595 1.00 0.00 C ATOM 2727 O LEU A 184 -3.208 8.538 6.553 1.00 0.00 O ATOM 2728 CB LEU A 184 -2.168 11.331 5.469 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.239 12.631 4.664 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.593 13.298 4.845 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.117 13.573 5.075 1.00 0.00 C ATOM 0 HA LEU A 184 -2.366 9.998 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.661 11.488 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -1.122 11.109 5.681 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.116 12.390 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.625 14.221 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.379 12.626 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.748 13.527 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.182 14.492 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.209 13.808 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.155 13.095 4.891 1.00 0.00 H new ATOM 2743 N SER A 185 -1.455 8.136 5.203 1.00 0.00 N ATOM 2744 CA SER A 185 -1.074 6.910 5.891 1.00 0.00 C ATOM 2745 C SER A 185 0.436 6.698 5.846 1.00 0.00 C ATOM 2746 O SER A 185 1.121 7.198 4.951 1.00 0.00 O ATOM 2747 CB SER A 185 -1.787 5.709 5.267 1.00 0.00 C ATOM 2748 OG SER A 185 -2.103 5.953 3.908 1.00 0.00 O ATOM 0 H SER A 185 -0.858 8.381 4.413 1.00 0.00 H new ATOM 0 HA SER A 185 -1.375 7.004 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.153 4.826 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 185 -2.700 5.495 5.823 1.00 0.00 H new ATOM 0 HG SER A 185 -2.914 5.458 3.667 1.00 0.00 H new ATOM 2754 N LEU A 186 0.946 5.944 6.817 1.00 0.00 N ATOM 2755 CA LEU A 186 2.373 5.651 6.895 1.00 0.00 C ATOM 2756 C LEU A 186 2.617 4.154 6.732 1.00 0.00 C ATOM 2757 O LEU A 186 1.872 3.337 7.270 1.00 0.00 O ATOM 2758 CB LEU A 186 2.954 6.127 8.231 1.00 0.00 C ATOM 2759 CG LEU A 186 2.195 7.272 8.911 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.247 6.728 9.971 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.166 8.268 9.525 1.00 0.00 C ATOM 0 H LEU A 186 0.390 5.524 7.562 1.00 0.00 H new ATOM 0 HA LEU A 186 2.872 6.185 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.987 5.279 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.984 6.444 8.067 1.00 0.00 H new ATOM 0 HG LEU A 186 1.606 7.790 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.717 7.555 10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.528 6.055 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.817 6.185 10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.608 9.073 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.783 7.763 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.804 8.682 8.745 1.00 0.00 H new ATOM 2773 N GLY A 187 3.657 3.798 5.985 1.00 0.00 N ATOM 2774 CA GLY A 187 3.959 2.396 5.773 1.00 0.00 C ATOM 2775 C GLY A 187 5.423 2.139 5.485 1.00 0.00 C ATOM 2776 O GLY A 187 6.199 3.071 5.279 1.00 0.00 O ATOM 0 H GLY A 187 4.292 4.451 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.664 1.830 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.361 2.024 4.941 1.00 0.00 H new ATOM 2780 N VAL A 188 5.795 0.863 5.464 1.00 0.00 N ATOM 2781 CA VAL A 188 7.170 0.467 5.191 1.00 0.00 C ATOM 2782 C VAL A 188 7.212 -0.600 4.103 1.00 0.00 C ATOM 2783 O VAL A 188 6.398 -1.524 4.097 1.00 0.00 O ATOM 2784 CB VAL A 188 7.877 -0.069 6.454 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.448 1.080 7.272 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.929 -0.908 7.297 1.00 0.00 C ATOM 0 H VAL A 188 5.160 0.083 5.634 1.00 0.00 H new ATOM 0 HA VAL A 188 7.698 1.360 4.855 1.00 0.00 H new ATOM 0 HB VAL A 188 8.699 -0.710 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.943 0.684 8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.169 1.632 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.641 1.748 7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.453 -1.273 8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.080 -0.298 7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.574 -1.755 6.711 1.00 0.00 H new ATOM 2796 N SER A 189 8.153 -0.465 3.174 1.00 0.00 N ATOM 2797 CA SER A 189 8.280 -1.418 2.078 1.00 0.00 C ATOM 2798 C SER A 189 9.742 -1.706 1.762 1.00 0.00 C ATOM 2799 O SER A 189 10.646 -1.094 2.331 1.00 0.00 O ATOM 2800 CB SER A 189 7.576 -0.885 0.830 1.00 0.00 C ATOM 2801 OG SER A 189 8.278 0.214 0.278 1.00 0.00 O ATOM 0 H SER A 189 8.836 0.292 3.158 1.00 0.00 H new ATOM 0 HA SER A 189 7.808 -2.350 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.495 -1.679 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.560 -0.581 1.084 1.00 0.00 H new ATOM 0 HG SER A 189 8.834 -0.094 -0.468 1.00 0.00 H new ATOM 2807 N TYR A 190 9.963 -2.643 0.846 1.00 0.00 N ATOM 2808 CA TYR A 190 11.312 -3.019 0.445 1.00 0.00 C ATOM 2809 C TYR A 190 11.394 -3.188 -1.068 1.00 0.00 C ATOM 2810 O TYR A 190 10.384 -3.428 -1.732 1.00 0.00 O ATOM 2811 CB TYR A 190 11.730 -4.317 1.138 1.00 0.00 C ATOM 2812 CG TYR A 190 10.678 -5.403 1.077 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.595 -6.255 -0.016 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.768 -5.573 2.114 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.636 -7.249 -0.076 1.00 0.00 C ATOM 2816 CE2 TYR A 190 8.806 -6.563 2.061 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.744 -7.398 0.965 1.00 0.00 C ATOM 2818 OH TYR A 190 7.787 -8.385 0.910 1.00 0.00 O ATOM 0 H TYR A 190 9.223 -3.156 0.367 1.00 0.00 H new ATOM 0 HA TYR A 190 11.993 -2.222 0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.647 -4.685 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.960 -4.104 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.291 -6.139 -0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 190 9.814 -4.921 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 190 9.586 -7.905 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.105 -6.683 2.874 1.00 0.00 H new ATOM 0 HH TYR A 190 7.240 -8.356 1.722 1.00 0.00 H new ATOM 2828 N ARG A 191 12.602 -3.062 -1.608 1.00 0.00 N ATOM 2829 CA ARG A 191 12.817 -3.200 -3.044 1.00 0.00 C ATOM 2830 C ARG A 191 13.662 -4.431 -3.352 1.00 0.00 C ATOM 2831 O ARG A 191 14.766 -4.587 -2.828 1.00 0.00 O ATOM 2832 CB ARG A 191 13.497 -1.949 -3.602 1.00 0.00 C ATOM 2833 CG ARG A 191 14.699 -1.495 -2.792 1.00 0.00 C ATOM 2834 CD ARG A 191 15.284 -0.200 -3.332 1.00 0.00 C ATOM 2835 NE ARG A 191 16.717 -0.315 -3.596 1.00 0.00 N ATOM 2836 CZ ARG A 191 17.533 0.728 -3.731 1.00 0.00 C ATOM 2837 NH1 ARG A 191 17.062 1.966 -3.628 1.00 0.00 N ATOM 2838 NH2 ARG A 191 18.822 0.534 -3.970 1.00 0.00 N ATOM 0 H ARG A 191 13.447 -2.864 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 191 11.844 -3.320 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.813 -2.145 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 191 12.770 -1.138 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.405 -1.356 -1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.462 -2.273 -2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 191 14.767 0.076 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.111 0.603 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 191 17.115 -1.250 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 191 16.071 2.121 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 191 17.692 2.762 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 191 19.189 -0.414 -4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 191 19.447 1.333 -4.073 1.00 0.00 H new