USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 20 TYR OH : rot -96:sc= 1.27 USER MOD Set 1.2: A 189 SER OG : rot 107:sc= 0.00966 USER MOD Single : A 18 THR OG1 : rot -33:sc= -0.319 USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= 0.0925 (180deg=0.0792) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 70 MET CE :methyl -151:sc= -0.361 (180deg=-1.46!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.1) USER MOD Single : A 95 GLN : amide:sc= -0.816 X(o=-0.82,f=-1.2) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= 0.766 (180deg=0.749) 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= -0.0203 USER MOD Single : A 117 MET CE :methyl 177:sc= 0 (180deg=-0.00517) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 180:sc=-0.00336 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.2) USER MOD Single : A 185 SER OG : rot 180:sc= -0.453 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 11.823 -5.155 -11.673 1.00 0.00 N ATOM 276 CA THR A 18 12.003 -5.077 -10.229 1.00 0.00 C ATOM 277 C THR A 18 10.678 -5.298 -9.507 1.00 0.00 C ATOM 278 O THR A 18 9.615 -4.953 -10.022 1.00 0.00 O ATOM 279 CB THR A 18 12.591 -3.720 -9.838 1.00 0.00 C ATOM 280 OG1 THR A 18 12.204 -2.720 -10.763 1.00 0.00 O ATOM 281 CG2 THR A 18 14.102 -3.721 -9.769 1.00 0.00 C ATOM 0 HA THR A 18 12.697 -5.863 -9.930 1.00 0.00 H new ATOM 0 HB THR A 18 12.198 -3.511 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.124 -3.114 -11.657 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.454 -2.729 -9.487 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.432 -4.448 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.511 -3.987 -10.744 1.00 0.00 H new ATOM 289 N TRP A 19 10.750 -5.879 -8.313 1.00 0.00 N ATOM 290 CA TRP A 19 9.553 -6.147 -7.523 1.00 0.00 C ATOM 291 C TRP A 19 9.504 -5.261 -6.284 1.00 0.00 C ATOM 292 O TRP A 19 10.491 -5.134 -5.559 1.00 0.00 O ATOM 293 CB TRP A 19 9.504 -7.620 -7.113 1.00 0.00 C ATOM 294 CG TRP A 19 8.157 -8.053 -6.623 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.010 -8.148 -7.357 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.815 -8.450 -5.289 1.00 0.00 C ATOM 297 NE1 TRP A 19 5.976 -8.580 -6.563 1.00 0.00 N ATOM 298 CE2 TRP A 19 6.443 -8.772 -5.290 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.533 -8.564 -4.096 1.00 0.00 C ATOM 300 CZ2 TRP A 19 5.779 -9.201 -4.143 1.00 0.00 C ATOM 301 CZ3 TRP A 19 7.871 -8.991 -2.958 1.00 0.00 C ATOM 302 CH2 TRP A 19 6.507 -9.305 -2.990 1.00 0.00 C ATOM 0 H TRP A 19 11.622 -6.172 -7.872 1.00 0.00 H new ATOM 0 HA TRP A 19 8.685 -5.920 -8.142 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.789 -8.237 -7.965 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.242 -7.797 -6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 19 6.928 -7.917 -8.409 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.016 -8.733 -6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.585 -8.323 -4.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.727 -9.443 -4.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.416 -9.084 -2.030 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.019 -9.636 -2.085 1.00 0.00 H new ATOM 313 N TYR A 20 8.347 -4.655 -6.044 1.00 0.00 N ATOM 314 CA TYR A 20 8.161 -3.783 -4.890 1.00 0.00 C ATOM 315 C TYR A 20 7.007 -4.282 -4.028 1.00 0.00 C ATOM 316 O TYR A 20 5.953 -4.654 -4.543 1.00 0.00 O ATOM 317 CB TYR A 20 7.890 -2.351 -5.353 1.00 0.00 C ATOM 318 CG TYR A 20 8.434 -1.293 -4.420 1.00 0.00 C ATOM 319 CD1 TYR A 20 7.684 -0.834 -3.345 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.698 -0.750 -4.619 1.00 0.00 C ATOM 321 CE1 TYR A 20 8.177 0.135 -2.493 1.00 0.00 C ATOM 322 CE2 TYR A 20 10.198 0.220 -3.769 1.00 0.00 C ATOM 323 CZ TYR A 20 9.434 0.659 -2.709 1.00 0.00 C ATOM 324 OH TYR A 20 9.929 1.624 -1.863 1.00 0.00 O ATOM 0 H TYR A 20 7.521 -4.752 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 20 9.073 -3.796 -4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.328 -2.210 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.814 -2.211 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.699 -1.242 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.299 -1.090 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.581 0.481 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.183 0.632 -3.935 1.00 0.00 H new ATOM 0 HH TYR A 20 9.765 2.511 -2.247 1.00 0.00 H new ATOM 334 N ALA A 21 7.210 -4.295 -2.714 1.00 0.00 N ATOM 335 CA ALA A 21 6.176 -4.757 -1.794 1.00 0.00 C ATOM 336 C ALA A 21 6.311 -4.099 -0.426 1.00 0.00 C ATOM 337 O ALA A 21 7.417 -3.807 0.030 1.00 0.00 O ATOM 338 CB ALA A 21 6.231 -6.271 -1.659 1.00 0.00 C ATOM 0 H ALA A 21 8.075 -3.993 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 21 5.209 -4.470 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.455 -6.603 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.071 -6.729 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.207 -6.567 -1.275 1.00 0.00 H new ATOM 344 N GLY A 22 5.174 -3.873 0.228 1.00 0.00 N ATOM 345 CA GLY A 22 5.182 -3.255 1.541 1.00 0.00 C ATOM 346 C GLY A 22 3.786 -3.043 2.090 1.00 0.00 C ATOM 347 O GLY A 22 2.804 -3.499 1.500 1.00 0.00 O ATOM 0 H GLY A 22 4.248 -4.107 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.749 -3.881 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.696 -2.296 1.485 1.00 0.00 H new ATOM 351 N GLY A 23 3.693 -2.350 3.221 1.00 0.00 N ATOM 352 CA GLY A 23 2.400 -2.092 3.828 1.00 0.00 C ATOM 353 C GLY A 23 2.355 -0.762 4.553 1.00 0.00 C ATOM 354 O GLY A 23 3.368 -0.304 5.087 1.00 0.00 O ATOM 0 H GLY A 23 4.489 -1.963 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.630 -2.108 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.165 -2.893 4.529 1.00 0.00 H new ATOM 358 N LYS A 24 1.179 -0.137 4.573 1.00 0.00 N ATOM 359 CA LYS A 24 1.015 1.151 5.237 1.00 0.00 C ATOM 360 C LYS A 24 -0.294 1.210 6.020 1.00 0.00 C ATOM 361 O LYS A 24 -1.279 0.564 5.661 1.00 0.00 O ATOM 362 CB LYS A 24 1.057 2.283 4.210 1.00 0.00 C ATOM 363 CG LYS A 24 0.085 2.091 3.054 1.00 0.00 C ATOM 364 CD LYS A 24 -0.886 3.254 2.938 1.00 0.00 C ATOM 365 CE LYS A 24 -2.214 2.814 2.343 1.00 0.00 C ATOM 366 NZ LYS A 24 -2.142 2.674 0.863 1.00 0.00 N ATOM 0 H LYS A 24 0.331 -0.501 4.139 1.00 0.00 H new ATOM 0 HA LYS A 24 1.838 1.271 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.833 3.225 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.069 2.366 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.642 1.988 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.472 1.165 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.054 3.689 3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.448 4.034 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.511 1.862 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.985 3.539 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.093 2.489 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.770 3.552 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.513 1.883 0.619 1.00 0.00 H new ATOM 380 N LEU A 25 -0.294 2.003 7.089 1.00 0.00 N ATOM 381 CA LEU A 25 -1.475 2.168 7.929 1.00 0.00 C ATOM 382 C LEU A 25 -1.879 3.638 7.991 1.00 0.00 C ATOM 383 O LEU A 25 -1.025 4.526 7.968 1.00 0.00 O ATOM 384 CB LEU A 25 -1.204 1.633 9.341 1.00 0.00 C ATOM 385 CG LEU A 25 -2.301 1.919 10.371 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.491 0.995 10.163 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.754 1.772 11.784 1.00 0.00 C ATOM 0 H LEU A 25 0.516 2.543 7.394 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.295 1.598 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.057 0.555 9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.269 2.063 9.701 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.639 2.946 10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.258 1.216 10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.899 1.147 9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.170 -0.041 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.546 1.979 12.504 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.388 0.755 11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.936 2.477 11.933 1.00 0.00 H new ATOM 399 N GLY A 26 -3.181 3.890 8.064 1.00 0.00 N ATOM 400 CA GLY A 26 -3.666 5.257 8.124 1.00 0.00 C ATOM 401 C GLY A 26 -4.891 5.407 9.002 1.00 0.00 C ATOM 402 O GLY A 26 -5.388 4.429 9.561 1.00 0.00 O ATOM 0 H GLY A 26 -3.908 3.175 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.873 5.903 8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.903 5.598 7.116 1.00 0.00 H new ATOM 799 N GLY A 53 -7.257 2.121 9.576 1.00 0.00 N ATOM 800 CA GLY A 53 -7.274 1.026 8.624 1.00 0.00 C ATOM 801 C GLY A 53 -5.888 0.672 8.126 1.00 0.00 C ATOM 802 O GLY A 53 -5.035 1.548 7.978 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.724 0.150 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.904 1.295 7.776 1.00 0.00 H new ATOM 806 N ALA A 54 -5.661 -0.611 7.868 1.00 0.00 N ATOM 807 CA ALA A 54 -4.364 -1.074 7.384 1.00 0.00 C ATOM 808 C ALA A 54 -4.477 -1.634 5.973 1.00 0.00 C ATOM 809 O ALA A 54 -5.463 -2.287 5.633 1.00 0.00 O ATOM 810 CB ALA A 54 -3.792 -2.121 8.327 1.00 0.00 C ATOM 0 H ALA A 54 -6.356 -1.348 7.985 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.687 -0.220 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.825 -2.457 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.667 -1.688 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.474 -2.970 8.385 1.00 0.00 H new ATOM 816 N GLY A 55 -3.466 -1.376 5.151 1.00 0.00 N ATOM 817 CA GLY A 55 -3.488 -1.868 3.789 1.00 0.00 C ATOM 818 C GLY A 55 -2.103 -2.131 3.235 1.00 0.00 C ATOM 819 O GLY A 55 -1.157 -1.400 3.527 1.00 0.00 O ATOM 0 H GLY A 55 -2.637 -0.838 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.070 -2.789 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.996 -1.142 3.154 1.00 0.00 H new ATOM 823 N ALA A 56 -1.986 -3.180 2.425 1.00 0.00 N ATOM 824 CA ALA A 56 -0.712 -3.541 1.819 1.00 0.00 C ATOM 825 C ALA A 56 -0.623 -3.006 0.395 1.00 0.00 C ATOM 826 O ALA A 56 -1.633 -2.620 -0.195 1.00 0.00 O ATOM 827 CB ALA A 56 -0.530 -5.051 1.831 1.00 0.00 C ATOM 0 H ALA A 56 -2.761 -3.794 2.174 1.00 0.00 H new ATOM 0 HA ALA A 56 0.088 -3.089 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.427 -5.306 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.549 -5.412 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.337 -5.519 1.267 1.00 0.00 H new ATOM 833 N PHE A 57 0.585 -2.983 -0.155 1.00 0.00 N ATOM 834 CA PHE A 57 0.787 -2.491 -1.512 1.00 0.00 C ATOM 835 C PHE A 57 2.001 -3.142 -2.165 1.00 0.00 C ATOM 836 O PHE A 57 3.030 -3.357 -1.522 1.00 0.00 O ATOM 837 CB PHE A 57 0.952 -0.968 -1.507 1.00 0.00 C ATOM 838 CG PHE A 57 2.108 -0.490 -0.678 1.00 0.00 C ATOM 839 CD1 PHE A 57 3.368 -0.356 -1.236 1.00 0.00 C ATOM 840 CD2 PHE A 57 1.934 -0.172 0.659 1.00 0.00 C ATOM 841 CE1 PHE A 57 4.435 0.087 -0.477 1.00 0.00 C ATOM 842 CE2 PHE A 57 2.996 0.271 1.424 1.00 0.00 C ATOM 843 CZ PHE A 57 4.248 0.401 0.855 1.00 0.00 C ATOM 0 H PHE A 57 1.434 -3.297 0.314 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.095 -2.756 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.084 -0.622 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.035 -0.513 -1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.519 -0.601 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.957 -0.271 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.413 0.187 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.847 0.515 2.465 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.079 0.748 1.451 1.00 0.00 H new ATOM 853 N GLY A 58 1.870 -3.447 -3.453 1.00 0.00 N ATOM 854 CA GLY A 58 2.956 -4.065 -4.190 1.00 0.00 C ATOM 855 C GLY A 58 3.186 -3.397 -5.531 1.00 0.00 C ATOM 856 O GLY A 58 2.262 -3.277 -6.335 1.00 0.00 O ATOM 0 H GLY A 58 1.027 -3.276 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.870 -4.014 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.734 -5.121 -4.344 1.00 0.00 H new ATOM 860 N GLY A 59 4.415 -2.955 -5.769 1.00 0.00 N ATOM 861 CA GLY A 59 4.733 -2.292 -7.021 1.00 0.00 C ATOM 862 C GLY A 59 5.363 -3.224 -8.039 1.00 0.00 C ATOM 863 O GLY A 59 6.114 -4.131 -7.682 1.00 0.00 O ATOM 0 H GLY A 59 5.196 -3.043 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.823 -1.865 -7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.413 -1.463 -6.825 1.00 0.00 H new ATOM 867 N TYR A 60 5.057 -2.992 -9.311 1.00 0.00 N ATOM 868 CA TYR A 60 5.596 -3.808 -10.392 1.00 0.00 C ATOM 869 C TYR A 60 6.149 -2.924 -11.507 1.00 0.00 C ATOM 870 O TYR A 60 5.396 -2.230 -12.191 1.00 0.00 O ATOM 871 CB TYR A 60 4.515 -4.738 -10.947 1.00 0.00 C ATOM 872 CG TYR A 60 4.936 -6.190 -11.004 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.631 -6.689 -12.099 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.639 -7.062 -9.964 1.00 0.00 C ATOM 875 CE1 TYR A 60 6.017 -8.015 -12.156 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.022 -8.388 -10.013 1.00 0.00 C ATOM 877 CZ TYR A 60 5.711 -8.859 -11.110 1.00 0.00 C ATOM 878 OH TYR A 60 6.094 -10.181 -11.164 1.00 0.00 O ATOM 0 H TYR A 60 4.437 -2.243 -9.619 1.00 0.00 H new ATOM 0 HA TYR A 60 6.409 -4.413 -9.992 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.621 -4.652 -10.329 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.243 -4.408 -11.949 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.874 -6.030 -12.919 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.099 -6.697 -9.103 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.555 -8.388 -13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.783 -9.053 -9.196 1.00 0.00 H new ATOM 0 HH TYR A 60 5.803 -10.639 -10.348 1.00 0.00 H new ATOM 888 N GLN A 61 7.466 -2.949 -11.680 1.00 0.00 N ATOM 889 CA GLN A 61 8.117 -2.147 -12.708 1.00 0.00 C ATOM 890 C GLN A 61 8.238 -2.923 -14.015 1.00 0.00 C ATOM 891 O GLN A 61 8.587 -4.103 -14.019 1.00 0.00 O ATOM 892 CB GLN A 61 9.504 -1.704 -12.236 1.00 0.00 C ATOM 893 CG GLN A 61 9.506 -1.097 -10.844 1.00 0.00 C ATOM 894 CD GLN A 61 9.450 0.420 -10.867 1.00 0.00 C ATOM 895 OE1 GLN A 61 8.398 1.009 -11.108 1.00 0.00 O ATOM 896 NE2 GLN A 61 10.588 1.058 -10.619 1.00 0.00 N ATOM 0 H GLN A 61 8.103 -3.516 -11.121 1.00 0.00 H new ATOM 0 HA GLN A 61 7.500 -1.266 -12.887 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.175 -2.563 -12.250 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.904 -0.976 -12.942 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.653 -1.480 -10.284 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.404 -1.416 -10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.438 0.528 -10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.612 2.078 -10.624 1.00 0.00 H new ATOM 970 N LEU A 66 7.264 4.193 -15.154 1.00 0.00 N ATOM 971 CA LEU A 66 6.210 3.921 -14.184 1.00 0.00 C ATOM 972 C LEU A 66 5.972 2.423 -14.032 1.00 0.00 C ATOM 973 O LEU A 66 6.400 1.626 -14.868 1.00 0.00 O ATOM 974 CB LEU A 66 4.911 4.611 -14.607 1.00 0.00 C ATOM 975 CG LEU A 66 4.445 4.291 -16.032 1.00 0.00 C ATOM 976 CD1 LEU A 66 3.033 3.722 -16.021 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.515 5.531 -16.909 1.00 0.00 C ATOM 0 HA LEU A 66 6.533 4.316 -13.221 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.122 4.327 -13.910 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.043 5.689 -14.517 1.00 0.00 H new ATOM 0 HG LEU A 66 5.114 3.538 -16.449 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.722 3.502 -17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.014 2.806 -15.430 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.351 4.450 -15.583 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.180 5.284 -17.916 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.872 6.307 -16.494 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.543 5.892 -16.947 1.00 0.00 H new ATOM 989 N GLY A 67 5.284 2.047 -12.959 1.00 0.00 N ATOM 990 CA GLY A 67 4.995 0.646 -12.714 1.00 0.00 C ATOM 991 C GLY A 67 3.606 0.436 -12.142 1.00 0.00 C ATOM 992 O GLY A 67 3.012 1.357 -11.582 1.00 0.00 O ATOM 0 H GLY A 67 4.921 2.688 -12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.089 0.089 -13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.735 0.240 -12.024 1.00 0.00 H new ATOM 996 N PHE A 68 3.088 -0.780 -12.280 1.00 0.00 N ATOM 997 CA PHE A 68 1.761 -1.105 -11.769 1.00 0.00 C ATOM 998 C PHE A 68 1.827 -1.443 -10.283 1.00 0.00 C ATOM 999 O PHE A 68 2.621 -2.285 -9.864 1.00 0.00 O ATOM 1000 CB PHE A 68 1.165 -2.281 -12.546 1.00 0.00 C ATOM 1001 CG PHE A 68 0.859 -1.958 -13.981 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.098 -1.008 -14.303 1.00 0.00 C ATOM 1003 CD2 PHE A 68 1.528 -2.604 -15.008 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -0.381 -0.710 -15.623 1.00 0.00 C ATOM 1005 CE2 PHE A 68 1.250 -2.309 -16.329 1.00 0.00 C ATOM 1006 CZ PHE A 68 0.294 -1.362 -16.637 1.00 0.00 C ATOM 0 H PHE A 68 3.565 -1.555 -12.740 1.00 0.00 H new ATOM 0 HA PHE A 68 1.120 -0.233 -11.901 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.861 -3.119 -12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.249 -2.606 -12.052 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.628 -0.495 -13.514 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.276 -3.347 -14.773 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.129 0.032 -15.861 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.780 -2.819 -17.120 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.074 -1.131 -17.669 1.00 0.00 H new ATOM 1016 N GLU A 69 0.995 -0.778 -9.488 1.00 0.00 N ATOM 1017 CA GLU A 69 0.973 -1.011 -8.051 1.00 0.00 C ATOM 1018 C GLU A 69 -0.354 -1.615 -7.608 1.00 0.00 C ATOM 1019 O GLU A 69 -1.423 -1.076 -7.896 1.00 0.00 O ATOM 1020 CB GLU A 69 1.226 0.296 -7.299 1.00 0.00 C ATOM 1021 CG GLU A 69 1.858 0.099 -5.930 1.00 0.00 C ATOM 1022 CD GLU A 69 1.225 0.970 -4.864 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.020 1.072 -4.841 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.974 1.553 -4.052 1.00 0.00 O ATOM 0 H GLU A 69 0.330 -0.077 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 69 1.766 -1.721 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.875 0.932 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.281 0.826 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.767 -0.948 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.923 0.322 -5.990 1.00 0.00 H new ATOM 1031 N MET A 70 -0.271 -2.733 -6.894 1.00 0.00 N ATOM 1032 CA MET A 70 -1.458 -3.411 -6.393 1.00 0.00 C ATOM 1033 C MET A 70 -1.615 -3.150 -4.901 1.00 0.00 C ATOM 1034 O MET A 70 -0.676 -3.336 -4.129 1.00 0.00 O ATOM 1035 CB MET A 70 -1.365 -4.916 -6.658 1.00 0.00 C ATOM 1036 CG MET A 70 -2.061 -5.353 -7.935 1.00 0.00 C ATOM 1037 SD MET A 70 -1.505 -6.969 -8.512 1.00 0.00 S ATOM 1038 CE MET A 70 0.235 -6.648 -8.786 1.00 0.00 C ATOM 0 H MET A 70 0.608 -3.188 -6.650 1.00 0.00 H new ATOM 0 HA MET A 70 -2.331 -3.020 -6.916 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.315 -5.203 -6.710 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.801 -5.452 -5.815 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.137 -5.383 -7.766 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.881 -4.612 -8.714 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.605 -7.299 -9.578 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.371 -5.607 -9.079 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.790 -6.842 -7.868 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.801 -2.704 -4.499 1.00 0.00 N ATOM 1049 CA GLY A 71 -3.038 -2.413 -3.097 1.00 0.00 C ATOM 1050 C GLY A 71 -3.981 -3.400 -2.440 1.00 0.00 C ATOM 1051 O GLY A 71 -4.770 -4.061 -3.116 1.00 0.00 O ATOM 0 H GLY A 71 -3.598 -2.540 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.087 -2.418 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.450 -1.408 -3.005 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.897 -3.496 -1.119 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.750 -4.405 -0.362 1.00 0.00 C ATOM 1057 C TYR A 72 -5.360 -3.690 0.838 1.00 0.00 C ATOM 1058 O TYR A 72 -4.643 -3.189 1.702 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.947 -5.621 0.105 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.160 -6.852 -0.747 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -5.169 -7.758 -0.451 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -3.350 -7.107 -1.847 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -5.366 -8.885 -1.226 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -3.541 -8.231 -2.627 1.00 0.00 C ATOM 1065 CZ TYR A 72 -4.549 -9.117 -2.313 1.00 0.00 C ATOM 1066 OH TYR A 72 -4.743 -10.238 -3.088 1.00 0.00 O ATOM 0 H TYR A 72 -3.247 -2.955 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.556 -4.743 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.887 -5.368 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.219 -5.851 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.811 -7.579 0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.559 -6.415 -2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.155 -9.580 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.903 -8.415 -3.479 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.085 -10.252 -3.814 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.688 -3.638 0.884 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.388 -2.975 1.979 1.00 0.00 C ATOM 1078 C ASP A 73 -7.773 -3.972 3.068 1.00 0.00 C ATOM 1079 O ASP A 73 -8.405 -4.995 2.796 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.635 -2.259 1.460 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.810 -0.885 2.076 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -9.046 -0.809 3.300 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -8.712 0.115 1.334 1.00 0.00 O ATOM 0 H ASP A 73 -7.300 -4.046 0.177 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.711 -2.239 2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.571 -2.163 0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.515 -2.865 1.675 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.387 -3.660 4.303 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.687 -4.519 5.443 1.00 0.00 C ATOM 1090 C TRP A 74 -8.096 -3.689 6.660 1.00 0.00 C ATOM 1091 O TRP A 74 -7.367 -2.792 7.090 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.472 -5.384 5.788 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.836 -6.738 6.314 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.819 -7.031 7.216 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.222 -7.986 5.972 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.853 -8.384 7.454 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.881 -8.991 6.702 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -5.178 -8.350 5.116 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.532 -10.336 6.603 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -4.830 -9.684 5.019 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -5.506 -10.663 5.759 1.00 0.00 C ATOM 0 H TRP A 74 -6.865 -2.816 4.539 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.521 -5.165 5.170 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.855 -5.502 4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.865 -4.865 6.530 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.474 -6.305 7.675 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.497 -8.859 8.087 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.653 -7.602 4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.052 -11.093 7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -4.024 -9.976 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.211 -11.697 5.661 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.081 -8.834 1.365 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.720 -8.312 1.300 1.00 0.00 C ATOM 1363 C GLN A 92 -10.617 -7.218 0.246 1.00 0.00 C ATOM 1364 O GLN A 92 -11.177 -7.341 -0.845 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.733 -9.438 0.984 1.00 0.00 C ATOM 1366 CG GLN A 92 -9.271 -10.206 2.212 1.00 0.00 C ATOM 1367 CD GLN A 92 -8.145 -11.174 1.903 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -7.354 -10.953 0.987 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -8.067 -12.257 2.670 1.00 0.00 N ATOM 0 HA GLN A 92 -10.470 -7.886 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.199 -10.133 0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.863 -9.016 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.940 -9.501 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.114 -10.756 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.744 -12.401 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.330 -12.944 2.509 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.904 -6.144 0.573 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.755 -5.049 -0.365 1.00 0.00 C ATOM 1380 C GLY A 93 -8.673 -5.302 -1.396 1.00 0.00 C ATOM 1381 O GLY A 93 -7.538 -5.622 -1.048 1.00 0.00 O ATOM 0 H GLY A 93 -9.429 -6.014 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.704 -4.881 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.522 -4.136 0.183 1.00 0.00 H new ATOM 1385 N VAL A 94 -9.025 -5.145 -2.668 1.00 0.00 N ATOM 1386 CA VAL A 94 -8.078 -5.344 -3.759 1.00 0.00 C ATOM 1387 C VAL A 94 -8.167 -4.191 -4.752 1.00 0.00 C ATOM 1388 O VAL A 94 -9.214 -3.963 -5.359 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.327 -6.677 -4.503 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.666 -7.834 -3.768 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.817 -6.935 -4.678 1.00 0.00 C ATOM 0 H VAL A 94 -9.963 -4.880 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.082 -5.380 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.880 -6.598 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.853 -8.762 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.592 -7.660 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.079 -7.910 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.964 -7.878 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.295 -6.987 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.261 -6.125 -5.256 1.00 0.00 H new ATOM 1401 N GLN A 95 -7.069 -3.454 -4.904 1.00 0.00 N ATOM 1402 CA GLN A 95 -7.042 -2.314 -5.816 1.00 0.00 C ATOM 1403 C GLN A 95 -5.925 -2.440 -6.847 1.00 0.00 C ATOM 1404 O GLN A 95 -4.874 -3.026 -6.579 1.00 0.00 O ATOM 1405 CB GLN A 95 -6.877 -1.013 -5.029 1.00 0.00 C ATOM 1406 CG GLN A 95 -5.594 -0.950 -4.220 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.715 -0.060 -2.998 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.551 -0.513 -1.867 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -6.007 1.216 -3.224 1.00 0.00 N ATOM 0 H GLN A 95 -6.192 -3.624 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.991 -2.299 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.900 -0.173 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.727 -0.895 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.318 -1.956 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.787 -0.582 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.135 1.548 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.104 1.863 -2.442 1.00 0.00 H new ATOM 1418 N LEU A 96 -6.167 -1.871 -8.024 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.202 -1.893 -9.117 1.00 0.00 C ATOM 1420 C LEU A 96 -4.916 -0.464 -9.574 1.00 0.00 C ATOM 1421 O LEU A 96 -5.831 0.256 -9.978 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.754 -2.747 -10.269 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.197 -2.445 -11.664 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.061 -3.729 -12.471 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.098 -1.456 -12.392 1.00 0.00 C ATOM 0 H LEU A 96 -7.035 -1.383 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.265 -2.337 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.559 -3.795 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.837 -2.623 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.209 -1.999 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.664 -3.497 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.383 -4.411 -11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.039 -4.199 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.689 -1.251 -13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.097 -1.880 -12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.154 -0.528 -11.823 1.00 0.00 H new ATOM 1437 N THR A 97 -3.654 -0.043 -9.487 1.00 0.00 N ATOM 1438 CA THR A 97 -3.295 1.316 -9.876 1.00 0.00 C ATOM 1439 C THR A 97 -1.881 1.388 -10.441 1.00 0.00 C ATOM 1440 O THR A 97 -1.123 0.421 -10.381 1.00 0.00 O ATOM 1441 CB THR A 97 -3.404 2.253 -8.669 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.246 2.165 -7.859 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.600 1.968 -7.786 1.00 0.00 C ATOM 0 H THR A 97 -2.876 -0.614 -9.156 1.00 0.00 H new ATOM 0 HA THR A 97 -3.990 1.627 -10.656 1.00 0.00 H new ATOM 0 HB THR A 97 -3.518 3.250 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.398 2.645 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.612 2.670 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.516 2.078 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.534 0.950 -7.402 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.537 2.555 -10.975 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.213 2.786 -11.536 1.00 0.00 C ATOM 1453 C ALA A 98 0.590 3.696 -10.617 1.00 0.00 C ATOM 1454 O ALA A 98 0.153 4.803 -10.292 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.324 3.392 -12.928 1.00 0.00 C ATOM 0 H ALA A 98 -2.162 3.359 -11.031 1.00 0.00 H new ATOM 0 HA ALA A 98 0.305 1.831 -11.621 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.674 3.558 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.871 2.710 -13.579 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.855 4.342 -12.870 1.00 0.00 H new ATOM 1461 N LYS A 99 1.750 3.222 -10.180 1.00 0.00 N ATOM 1462 CA LYS A 99 2.593 3.997 -9.276 1.00 0.00 C ATOM 1463 C LYS A 99 3.913 4.386 -9.931 1.00 0.00 C ATOM 1464 O LYS A 99 4.597 3.553 -10.529 1.00 0.00 O ATOM 1465 CB LYS A 99 2.865 3.203 -7.997 1.00 0.00 C ATOM 1466 CG LYS A 99 3.615 3.994 -6.940 1.00 0.00 C ATOM 1467 CD LYS A 99 3.988 3.123 -5.752 1.00 0.00 C ATOM 1468 CE LYS A 99 3.873 3.886 -4.442 1.00 0.00 C ATOM 1469 NZ LYS A 99 5.054 3.663 -3.561 1.00 0.00 N ATOM 0 H LYS A 99 2.128 2.309 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 99 2.056 4.913 -9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.916 2.864 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.440 2.311 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.518 4.422 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.999 4.827 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.338 2.248 -5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.008 2.758 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.772 4.951 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.968 3.576 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.960 4.240 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.107 2.658 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.921 3.935 -4.067 1.00 0.00 H new ATOM 1483 N LEU A 100 4.268 5.661 -9.801 1.00 0.00 N ATOM 1484 CA LEU A 100 5.511 6.173 -10.363 1.00 0.00 C ATOM 1485 C LEU A 100 6.324 6.889 -9.288 1.00 0.00 C ATOM 1486 O LEU A 100 5.824 7.796 -8.621 1.00 0.00 O ATOM 1487 CB LEU A 100 5.224 7.125 -11.528 1.00 0.00 C ATOM 1488 CG LEU A 100 4.609 8.473 -11.140 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.697 9.499 -10.859 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.681 8.969 -12.238 1.00 0.00 C ATOM 0 H LEU A 100 3.710 6.359 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 100 6.090 5.330 -10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.156 7.310 -12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.552 6.626 -12.226 1.00 0.00 H new ATOM 0 HG LEU A 100 4.026 8.334 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.239 10.449 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.324 9.149 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.308 9.635 -11.751 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.252 9.928 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.244 9.090 -13.163 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.880 8.246 -12.392 1.00 0.00 H new ATOM 1502 N GLY A 101 7.574 6.472 -9.122 1.00 0.00 N ATOM 1503 CA GLY A 101 8.433 7.083 -8.124 1.00 0.00 C ATOM 1504 C GLY A 101 9.881 7.146 -8.568 1.00 0.00 C ATOM 1505 O GLY A 101 10.291 6.413 -9.467 1.00 0.00 O ATOM 0 H GLY A 101 8.008 5.722 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.077 8.091 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.365 6.517 -7.195 1.00 0.00 H new ATOM 1509 N TYR A 102 10.656 8.025 -7.940 1.00 0.00 N ATOM 1510 CA TYR A 102 12.068 8.177 -8.288 1.00 0.00 C ATOM 1511 C TYR A 102 12.823 8.983 -7.228 1.00 0.00 C ATOM 1512 O TYR A 102 12.255 9.870 -6.591 1.00 0.00 O ATOM 1513 CB TYR A 102 12.201 8.857 -9.653 1.00 0.00 C ATOM 1514 CG TYR A 102 13.193 8.183 -10.576 1.00 0.00 C ATOM 1515 CD1 TYR A 102 13.074 6.835 -10.893 1.00 0.00 C ATOM 1516 CD2 TYR A 102 14.249 8.895 -11.130 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.979 6.216 -11.732 1.00 0.00 C ATOM 1518 CE2 TYR A 102 15.158 8.284 -11.973 1.00 0.00 C ATOM 1519 CZ TYR A 102 15.019 6.945 -12.270 1.00 0.00 C ATOM 1520 OH TYR A 102 15.923 6.332 -13.109 1.00 0.00 O ATOM 0 H TYR A 102 10.335 8.640 -7.192 1.00 0.00 H new ATOM 0 HA TYR A 102 12.511 7.182 -8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 102 11.224 8.876 -10.136 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.503 9.894 -9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 102 12.259 6.262 -10.476 1.00 0.00 H new ATOM 0 HD2 TYR A 102 14.362 9.944 -10.898 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.873 5.167 -11.966 1.00 0.00 H new ATOM 0 HE2 TYR A 102 15.973 8.852 -12.397 1.00 0.00 H new ATOM 0 HH TYR A 102 16.592 6.985 -13.402 1.00 0.00 H new ATOM 1530 N PRO A 103 14.122 8.684 -7.030 1.00 0.00 N ATOM 1531 CA PRO A 103 14.958 9.384 -6.049 1.00 0.00 C ATOM 1532 C PRO A 103 15.366 10.776 -6.523 1.00 0.00 C ATOM 1533 O PRO A 103 15.126 11.143 -7.673 1.00 0.00 O ATOM 1534 CB PRO A 103 16.186 8.484 -5.930 1.00 0.00 C ATOM 1535 CG PRO A 103 16.289 7.813 -7.256 1.00 0.00 C ATOM 1536 CD PRO A 103 14.878 7.640 -7.751 1.00 0.00 C ATOM 0 HA PRO A 103 14.434 9.545 -5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.082 9.063 -5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.069 7.757 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.874 8.414 -7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.791 6.850 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.814 7.773 -8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.495 6.644 -7.529 1.00 0.00 H new ATOM 1601 N LEU A 108 16.380 9.876 -0.865 1.00 0.00 N ATOM 1602 CA LEU A 108 15.081 10.540 -0.808 1.00 0.00 C ATOM 1603 C LEU A 108 14.346 10.366 -2.131 1.00 0.00 C ATOM 1604 O LEU A 108 14.775 10.887 -3.160 1.00 0.00 O ATOM 1605 CB LEU A 108 15.251 12.031 -0.487 1.00 0.00 C ATOM 1606 CG LEU A 108 16.580 12.417 0.173 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.604 13.904 0.496 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.815 11.593 1.432 1.00 0.00 C ATOM 0 HA LEU A 108 14.492 10.082 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.147 12.598 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.437 12.339 0.169 1.00 0.00 H new ATOM 0 HG LEU A 108 17.385 12.204 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.555 14.159 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.486 14.478 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.788 14.141 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.763 11.883 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.006 11.771 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.845 10.534 1.174 1.00 0.00 H new ATOM 1620 N ASP A 109 13.248 9.616 -2.108 1.00 0.00 N ATOM 1621 CA ASP A 109 12.477 9.364 -3.322 1.00 0.00 C ATOM 1622 C ASP A 109 11.017 9.771 -3.167 1.00 0.00 C ATOM 1623 O ASP A 109 10.476 9.800 -2.062 1.00 0.00 O ATOM 1624 CB ASP A 109 12.555 7.882 -3.701 1.00 0.00 C ATOM 1625 CG ASP A 109 13.981 7.380 -3.816 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.837 7.827 -3.024 1.00 0.00 O ATOM 1627 OD2 ASP A 109 14.242 6.536 -4.699 1.00 0.00 O ATOM 0 H ASP A 109 12.874 9.175 -1.268 1.00 0.00 H new ATOM 0 HA ASP A 109 12.915 9.973 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.026 7.292 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.042 7.727 -4.650 1.00 0.00 H new ATOM 1632 N ILE A 110 10.383 10.066 -4.298 1.00 0.00 N ATOM 1633 CA ILE A 110 8.978 10.452 -4.323 1.00 0.00 C ATOM 1634 C ILE A 110 8.163 9.400 -5.067 1.00 0.00 C ATOM 1635 O ILE A 110 8.689 8.718 -5.947 1.00 0.00 O ATOM 1636 CB ILE A 110 8.781 11.827 -4.998 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.164 11.759 -6.481 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.599 12.893 -4.281 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.041 12.159 -7.412 1.00 0.00 C ATOM 0 H ILE A 110 10.826 10.044 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 110 8.635 10.525 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 110 7.727 12.097 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.021 12.409 -6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.480 10.744 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.449 13.856 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.279 12.959 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.656 12.628 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.382 12.088 -8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.191 11.493 -7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.740 13.185 -7.199 1.00 0.00 H new ATOM 1651 N TYR A 111 6.887 9.263 -4.715 1.00 0.00 N ATOM 1652 CA TYR A 111 6.029 8.277 -5.365 1.00 0.00 C ATOM 1653 C TYR A 111 4.586 8.762 -5.463 1.00 0.00 C ATOM 1654 O TYR A 111 4.092 9.463 -4.579 1.00 0.00 O ATOM 1655 CB TYR A 111 6.079 6.952 -4.602 1.00 0.00 C ATOM 1656 CG TYR A 111 7.237 6.065 -5.001 1.00 0.00 C ATOM 1657 CD1 TYR A 111 8.531 6.349 -4.585 1.00 0.00 C ATOM 1658 CD2 TYR A 111 7.035 4.943 -5.794 1.00 0.00 C ATOM 1659 CE1 TYR A 111 9.592 5.543 -4.948 1.00 0.00 C ATOM 1660 CE2 TYR A 111 8.092 4.130 -6.162 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.366 4.434 -5.736 1.00 0.00 C ATOM 1662 OH TYR A 111 10.420 3.628 -6.101 1.00 0.00 O ATOM 0 H TYR A 111 6.428 9.816 -3.991 1.00 0.00 H new ATOM 0 HA TYR A 111 6.404 8.130 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.143 7.160 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.146 6.413 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.711 7.216 -3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.037 4.701 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.592 5.780 -4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.919 3.261 -6.780 1.00 0.00 H new ATOM 0 HH TYR A 111 10.091 2.890 -6.655 1.00 0.00 H new ATOM 1672 N THR A 112 3.917 8.373 -6.545 1.00 0.00 N ATOM 1673 CA THR A 112 2.526 8.753 -6.771 1.00 0.00 C ATOM 1674 C THR A 112 1.759 7.600 -7.412 1.00 0.00 C ATOM 1675 O THR A 112 2.208 7.021 -8.400 1.00 0.00 O ATOM 1676 CB THR A 112 2.451 9.992 -7.663 1.00 0.00 C ATOM 1677 OG1 THR A 112 3.546 10.857 -7.415 1.00 0.00 O ATOM 1678 CG2 THR A 112 1.181 10.792 -7.472 1.00 0.00 C ATOM 0 H THR A 112 4.318 7.792 -7.282 1.00 0.00 H new ATOM 0 HA THR A 112 2.071 8.986 -5.808 1.00 0.00 H new ATOM 0 HB THR A 112 2.471 9.613 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.480 11.643 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.193 11.657 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.319 10.167 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.115 11.129 -6.437 1.00 0.00 H new ATOM 1686 N ARG A 113 0.605 7.261 -6.840 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.208 6.165 -7.361 1.00 0.00 C ATOM 1688 C ARG A 113 -1.613 6.630 -7.732 1.00 0.00 C ATOM 1689 O ARG A 113 -2.297 7.281 -6.939 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.291 5.032 -6.335 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.747 5.485 -4.957 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.182 5.068 -4.676 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.254 3.808 -3.941 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.311 3.422 -3.231 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -4.390 4.192 -3.161 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -3.292 2.260 -2.589 1.00 0.00 N ATOM 0 H ARG A 113 0.214 7.726 -6.021 1.00 0.00 H new ATOM 0 HA ARG A 113 0.276 5.801 -8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.979 4.271 -6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.688 4.561 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.089 5.061 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.662 6.569 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.681 5.850 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.721 4.969 -5.618 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.446 3.187 -3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.412 5.085 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.197 3.891 -2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.467 1.663 -2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.103 1.965 -2.045 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.039 6.277 -8.944 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.366 6.639 -9.435 1.00 0.00 C ATOM 1712 C LEU A 114 -4.043 5.426 -10.074 1.00 0.00 C ATOM 1713 O LEU A 114 -3.503 4.822 -11.002 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.266 7.783 -10.451 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.568 8.123 -11.189 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.625 9.608 -11.527 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.699 7.283 -12.453 1.00 0.00 C ATOM 0 H LEU A 114 -1.481 5.738 -9.606 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.968 6.974 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.918 8.677 -9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.506 7.526 -11.189 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.405 7.891 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.556 9.827 -12.050 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.579 10.192 -10.608 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.781 9.869 -12.165 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.628 7.537 -12.964 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.855 7.484 -13.113 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.708 6.226 -12.188 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.221 5.072 -9.568 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.942 3.929 -10.106 1.00 0.00 C ATOM 1731 C GLY A 115 -7.304 3.747 -9.467 1.00 0.00 C ATOM 1732 O GLY A 115 -8.008 4.722 -9.204 1.00 0.00 O ATOM 0 H GLY A 115 -5.688 5.553 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.063 4.054 -11.182 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.350 3.026 -9.955 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.684 2.495 -9.220 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.974 2.223 -8.614 1.00 0.00 C ATOM 1738 C GLY A 116 -8.932 1.070 -7.630 1.00 0.00 C ATOM 1739 O GLY A 116 -8.006 0.259 -7.650 1.00 0.00 O ATOM 0 H GLY A 116 -7.123 1.669 -9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.325 3.119 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.698 1.999 -9.398 1.00 0.00 H new ATOM 1743 N MET A 117 -9.942 0.999 -6.766 1.00 0.00 N ATOM 1744 CA MET A 117 -10.022 -0.058 -5.768 1.00 0.00 C ATOM 1745 C MET A 117 -11.289 -0.886 -5.958 1.00 0.00 C ATOM 1746 O MET A 117 -12.328 -0.366 -6.369 1.00 0.00 O ATOM 1747 CB MET A 117 -9.994 0.535 -4.358 1.00 0.00 C ATOM 1748 CG MET A 117 -9.980 -0.513 -3.257 1.00 0.00 C ATOM 1749 SD MET A 117 -11.631 -0.898 -2.645 1.00 0.00 S ATOM 1750 CE MET A 117 -11.349 -0.883 -0.875 1.00 0.00 C ATOM 0 H MET A 117 -10.716 1.663 -6.739 1.00 0.00 H new ATOM 0 HA MET A 117 -9.158 -0.710 -5.895 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.113 1.168 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 117 -10.865 1.177 -4.226 1.00 0.00 H new ATOM 0 HG2 MET A 117 -9.515 -1.424 -3.634 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.364 -0.158 -2.431 1.00 0.00 H new ATOM 0 HE1 MET A 117 -12.292 -1.052 -0.355 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.643 -1.671 -0.612 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.940 0.083 -0.580 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.194 -2.177 -5.657 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.330 -3.081 -5.796 1.00 0.00 C ATOM 1762 C VAL A 118 -12.540 -3.893 -4.524 1.00 0.00 C ATOM 1763 O VAL A 118 -11.579 -4.276 -3.855 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.150 -4.049 -6.984 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.501 -4.533 -7.488 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.360 -3.391 -8.108 1.00 0.00 C ATOM 0 H VAL A 118 -10.342 -2.621 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.205 -2.457 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.583 -4.912 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.354 -5.215 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -14.024 -5.052 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.095 -3.679 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.247 -4.094 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.891 -2.505 -8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.375 -3.102 -7.740 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.799 -4.154 -4.192 1.00 0.00 N ATOM 1777 CA TRP A 119 -14.132 -4.923 -2.997 1.00 0.00 C ATOM 1778 C TRP A 119 -15.114 -6.042 -3.326 1.00 0.00 C ATOM 1779 O TRP A 119 -16.022 -5.864 -4.137 1.00 0.00 O ATOM 1780 CB TRP A 119 -14.724 -4.006 -1.924 1.00 0.00 C ATOM 1781 CG TRP A 119 -14.401 -4.437 -0.525 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.328 -5.181 -0.120 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -15.156 -4.147 0.657 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -13.373 -5.372 1.239 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -14.485 -4.747 1.739 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -16.335 -3.439 0.903 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -14.954 -4.659 3.047 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -16.799 -3.352 2.203 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -16.111 -3.960 3.260 1.00 0.00 C ATOM 0 H TRP A 119 -14.607 -3.845 -4.733 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.214 -5.371 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -14.353 -2.993 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.807 -3.971 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.558 -5.563 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.690 -5.894 1.787 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.874 -2.969 0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.424 -5.126 3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.708 -2.805 2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -16.501 -3.876 4.264 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.558 -0.753 -5.958 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.538 -0.163 -6.819 1.00 0.00 C ATOM 2093 C VAL A 141 -15.477 1.349 -6.635 1.00 0.00 C ATOM 2094 O VAL A 141 -16.506 2.027 -6.645 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.805 -0.484 -8.303 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.150 0.076 -8.741 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.683 0.053 -9.178 1.00 0.00 C ATOM 0 HA VAL A 141 -14.582 -0.599 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.836 -1.567 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.318 -0.162 -9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.942 -0.366 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.154 1.158 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.890 -0.184 -10.222 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.614 1.134 -9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.740 -0.406 -8.882 1.00 0.00 H new ATOM 2107 N SER A 142 -14.267 1.877 -6.464 1.00 0.00 N ATOM 2108 CA SER A 142 -14.086 3.313 -6.278 1.00 0.00 C ATOM 2109 C SER A 142 -12.670 3.747 -6.661 1.00 0.00 C ATOM 2110 O SER A 142 -11.690 3.149 -6.216 1.00 0.00 O ATOM 2111 CB SER A 142 -14.367 3.695 -4.822 1.00 0.00 C ATOM 2112 OG SER A 142 -14.810 5.038 -4.724 1.00 0.00 O ATOM 0 H SER A 142 -13.403 1.335 -6.451 1.00 0.00 H new ATOM 0 HA SER A 142 -14.791 3.827 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.123 3.028 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.463 3.562 -4.227 1.00 0.00 H new ATOM 0 HG SER A 142 -14.984 5.257 -3.785 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.536 4.801 -7.496 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.230 5.306 -7.928 1.00 0.00 C ATOM 2120 C PRO A 143 -10.514 6.066 -6.815 1.00 0.00 C ATOM 2121 O PRO A 143 -11.154 6.714 -5.987 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.564 6.256 -9.091 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.025 6.085 -9.359 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.632 5.581 -8.083 1.00 0.00 C ATOM 0 HA PRO A 143 -10.558 4.495 -8.210 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.334 7.289 -8.829 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -10.974 6.012 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.478 7.030 -9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.191 5.380 -10.173 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -13.943 6.398 -7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.513 4.967 -8.268 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.185 5.985 -6.801 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.393 6.670 -5.785 1.00 0.00 C ATOM 2134 C VAL A 144 -6.967 6.924 -6.266 1.00 0.00 C ATOM 2135 O VAL A 144 -6.447 6.199 -7.114 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.340 5.865 -4.470 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.733 5.701 -3.886 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.684 4.509 -4.696 1.00 0.00 C ATOM 0 H VAL A 144 -8.637 5.454 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.886 7.625 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.734 6.419 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.674 5.131 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.160 6.683 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.366 5.172 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.656 3.957 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.258 3.945 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.667 4.653 -5.062 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.342 7.957 -5.712 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.973 8.314 -6.073 1.00 0.00 C ATOM 2150 C PHE A 145 -4.250 8.943 -4.886 1.00 0.00 C ATOM 2151 O PHE A 145 -4.716 9.930 -4.318 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.970 9.280 -7.260 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.647 10.588 -6.970 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.001 10.632 -6.681 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.930 11.773 -6.987 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.628 11.834 -6.413 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.552 12.980 -6.719 1.00 0.00 C ATOM 2158 CZ PHE A 145 -6.902 13.010 -6.433 1.00 0.00 C ATOM 0 H PHE A 145 -6.763 8.564 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.447 7.403 -6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.940 9.472 -7.559 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.465 8.804 -8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.573 9.716 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.874 11.755 -7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.684 11.854 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.982 13.897 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.390 13.951 -6.225 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.113 8.365 -4.512 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.333 8.874 -3.390 1.00 0.00 C ATOM 2170 C ALA A 146 -0.953 9.337 -3.839 1.00 0.00 C ATOM 2171 O ALA A 146 -0.359 8.762 -4.752 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.208 7.808 -2.310 1.00 0.00 C ATOM 0 H ALA A 146 -2.712 7.546 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.858 9.737 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.624 8.200 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.201 7.530 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.710 6.930 -2.721 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.446 10.383 -3.194 1.00 0.00 N ATOM 2179 CA GLY A 147 0.862 10.906 -3.541 1.00 0.00 C ATOM 2180 C GLY A 147 1.674 11.277 -2.317 1.00 0.00 C ATOM 2181 O GLY A 147 1.171 11.941 -1.411 1.00 0.00 O ATOM 0 H GLY A 147 -0.918 10.878 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.406 10.162 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.743 11.784 -4.176 1.00 0.00 H new ATOM 2185 N GLY A 148 2.931 10.848 -2.285 1.00 0.00 N ATOM 2186 CA GLY A 148 3.782 11.153 -1.151 1.00 0.00 C ATOM 2187 C GLY A 148 5.254 10.949 -1.445 1.00 0.00 C ATOM 2188 O GLY A 148 5.686 11.025 -2.597 1.00 0.00 O ATOM 0 H GLY A 148 3.374 10.297 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.617 12.187 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.495 10.524 -0.308 1.00 0.00 H new ATOM 2192 N VAL A 149 6.028 10.690 -0.395 1.00 0.00 N ATOM 2193 CA VAL A 149 7.464 10.479 -0.539 1.00 0.00 C ATOM 2194 C VAL A 149 7.932 9.307 0.319 1.00 0.00 C ATOM 2195 O VAL A 149 7.170 8.779 1.129 1.00 0.00 O ATOM 2196 CB VAL A 149 8.255 11.744 -0.149 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.075 12.831 -1.201 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.823 12.245 1.221 1.00 0.00 C ATOM 0 H VAL A 149 5.685 10.621 0.563 1.00 0.00 H new ATOM 0 HA VAL A 149 7.653 10.253 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 149 9.313 11.487 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.640 13.716 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.438 12.470 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.018 13.086 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.393 13.138 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.760 12.486 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 149 8.006 11.471 1.966 1.00 0.00 H new ATOM 2208 N GLU A 150 9.184 8.895 0.133 1.00 0.00 N ATOM 2209 CA GLU A 150 9.734 7.777 0.892 1.00 0.00 C ATOM 2210 C GLU A 150 11.225 7.964 1.150 1.00 0.00 C ATOM 2211 O GLU A 150 11.931 8.594 0.360 1.00 0.00 O ATOM 2212 CB GLU A 150 9.498 6.464 0.144 1.00 0.00 C ATOM 2213 CG GLU A 150 10.099 6.442 -1.251 1.00 0.00 C ATOM 2214 CD GLU A 150 10.438 5.039 -1.717 1.00 0.00 C ATOM 2215 OE1 GLU A 150 9.500 4.251 -1.958 1.00 0.00 O ATOM 2216 OE2 GLU A 150 11.641 4.730 -1.842 1.00 0.00 O ATOM 0 H GLU A 150 9.832 9.316 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 150 9.223 7.742 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.920 5.644 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 150 8.425 6.285 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 150 9.398 6.894 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 150 11.001 7.053 -1.264 1.00 0.00 H new ATOM 2223 N TRP A 151 11.699 7.407 2.261 1.00 0.00 N ATOM 2224 CA TRP A 151 13.107 7.504 2.628 1.00 0.00 C ATOM 2225 C TRP A 151 13.694 6.122 2.894 1.00 0.00 C ATOM 2226 O TRP A 151 13.050 5.271 3.510 1.00 0.00 O ATOM 2227 CB TRP A 151 13.278 8.392 3.863 1.00 0.00 C ATOM 2228 CG TRP A 151 12.392 8.003 5.006 1.00 0.00 C ATOM 2229 CD1 TRP A 151 12.708 7.174 6.042 1.00 0.00 C ATOM 2230 CD2 TRP A 151 11.042 8.429 5.228 1.00 0.00 C ATOM 2231 NE1 TRP A 151 11.638 7.058 6.897 1.00 0.00 N ATOM 2232 CE2 TRP A 151 10.604 7.819 6.420 1.00 0.00 C ATOM 2233 CE3 TRP A 151 10.162 9.267 4.538 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 9.326 8.021 6.933 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 8.893 9.468 5.049 1.00 0.00 C ATOM 2236 CH2 TRP A 151 8.486 8.846 6.237 1.00 0.00 C ATOM 0 H TRP A 151 11.127 6.883 2.923 1.00 0.00 H new ATOM 0 HA TRP A 151 13.644 7.954 1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 151 14.317 8.351 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.071 9.426 3.589 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.660 6.681 6.172 1.00 0.00 H new ATOM 0 HE1 TRP A 151 11.617 6.496 7.748 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.468 9.749 3.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 9.009 7.543 7.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 8.205 10.114 4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 151 7.488 9.022 6.611 1.00 0.00 H new ATOM 2247 N ALA A 152 14.915 5.900 2.419 1.00 0.00 N ATOM 2248 CA ALA A 152 15.588 4.619 2.599 1.00 0.00 C ATOM 2249 C ALA A 152 16.436 4.609 3.866 1.00 0.00 C ATOM 2250 O ALA A 152 17.140 5.575 4.162 1.00 0.00 O ATOM 2251 CB ALA A 152 16.446 4.299 1.385 1.00 0.00 C ATOM 0 H ALA A 152 15.460 6.593 1.905 1.00 0.00 H new ATOM 0 HA ALA A 152 14.822 3.850 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.943 3.340 1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.816 4.248 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.196 5.079 1.253 1.00 0.00 H new ATOM 2257 N VAL A 153 16.370 3.506 4.606 1.00 0.00 N ATOM 2258 CA VAL A 153 17.137 3.364 5.837 1.00 0.00 C ATOM 2259 C VAL A 153 18.265 2.358 5.649 1.00 0.00 C ATOM 2260 O VAL A 153 19.413 2.617 6.009 1.00 0.00 O ATOM 2261 CB VAL A 153 16.245 2.913 7.010 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.051 2.824 8.297 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.064 3.858 7.175 1.00 0.00 C ATOM 0 H VAL A 153 15.793 2.698 4.374 1.00 0.00 H new ATOM 0 HA VAL A 153 17.554 4.343 6.074 1.00 0.00 H new ATOM 0 HB VAL A 153 15.859 1.919 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.401 2.504 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.858 2.102 8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.472 3.802 8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.445 3.524 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.429 4.865 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.471 3.862 6.261 1.00 0.00 H new ATOM 2323 N ILE A 157 15.374 -1.993 2.462 1.00 0.00 N ATOM 2324 CA ILE A 157 14.114 -1.604 3.087 1.00 0.00 C ATOM 2325 C ILE A 157 14.031 -0.096 3.288 1.00 0.00 C ATOM 2326 O ILE A 157 14.979 0.534 3.758 1.00 0.00 O ATOM 2327 CB ILE A 157 13.923 -2.304 4.446 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.186 -3.805 4.311 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.521 -2.053 4.978 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.356 -4.512 5.639 1.00 0.00 C ATOM 0 HA ILE A 157 13.320 -1.916 2.408 1.00 0.00 H new ATOM 0 HB ILE A 157 14.639 -1.890 5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.359 -4.263 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.083 -3.956 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.401 -2.554 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.367 -0.982 5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.788 -2.443 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.539 -5.572 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.201 -4.081 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.450 -4.393 6.233 1.00 0.00 H new ATOM 2342 N ALA A 158 12.885 0.477 2.933 1.00 0.00 N ATOM 2343 CA ALA A 158 12.666 1.909 3.073 1.00 0.00 C ATOM 2344 C ALA A 158 11.250 2.202 3.559 1.00 0.00 C ATOM 2345 O ALA A 158 10.359 1.360 3.451 1.00 0.00 O ATOM 2346 CB ALA A 158 12.926 2.612 1.749 1.00 0.00 C ATOM 0 H ALA A 158 12.092 -0.033 2.545 1.00 0.00 H new ATOM 0 HA ALA A 158 13.365 2.289 3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.759 3.683 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.957 2.437 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.249 2.220 0.990 1.00 0.00 H new ATOM 2352 N THR A 159 11.048 3.404 4.089 1.00 0.00 N ATOM 2353 CA THR A 159 9.740 3.814 4.585 1.00 0.00 C ATOM 2354 C THR A 159 9.102 4.813 3.626 1.00 0.00 C ATOM 2355 O THR A 159 9.801 5.553 2.936 1.00 0.00 O ATOM 2356 CB THR A 159 9.865 4.430 5.978 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.683 3.627 6.809 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.533 4.607 6.676 1.00 0.00 C ATOM 0 H THR A 159 11.776 4.112 4.186 1.00 0.00 H new ATOM 0 HA THR A 159 9.103 2.932 4.651 1.00 0.00 H new ATOM 0 HB THR A 159 10.307 5.414 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.752 4.039 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.693 5.049 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.896 5.263 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.049 3.637 6.789 1.00 0.00 H new ATOM 2366 N ARG A 160 7.775 4.827 3.577 1.00 0.00 N ATOM 2367 CA ARG A 160 7.065 5.735 2.684 1.00 0.00 C ATOM 2368 C ARG A 160 5.864 6.381 3.369 1.00 0.00 C ATOM 2369 O ARG A 160 5.150 5.740 4.144 1.00 0.00 O ATOM 2370 CB ARG A 160 6.609 4.990 1.429 1.00 0.00 C ATOM 2371 CG ARG A 160 5.870 5.870 0.432 1.00 0.00 C ATOM 2372 CD ARG A 160 4.387 5.535 0.382 1.00 0.00 C ATOM 2373 NE ARG A 160 4.131 4.287 -0.334 1.00 0.00 N ATOM 2374 CZ ARG A 160 2.915 3.807 -0.578 1.00 0.00 C ATOM 2375 NH1 ARG A 160 1.838 4.464 -0.161 1.00 0.00 N ATOM 2376 NH2 ARG A 160 2.772 2.667 -1.238 1.00 0.00 N ATOM 0 H ARG A 160 7.173 4.226 4.140 1.00 0.00 H new ATOM 0 HA ARG A 160 7.757 6.530 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 160 7.480 4.553 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.961 4.164 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.998 6.917 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.306 5.744 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.999 5.456 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 160 3.848 6.349 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 160 4.933 3.752 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.941 5.341 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.908 4.091 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.595 2.157 -1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.839 2.299 -1.425 1.00 0.00 H new ATOM 2390 N LEU A 161 5.644 7.655 3.052 1.00 0.00 N ATOM 2391 CA LEU A 161 4.526 8.411 3.600 1.00 0.00 C ATOM 2392 C LEU A 161 3.680 8.970 2.462 1.00 0.00 C ATOM 2393 O LEU A 161 4.166 9.758 1.645 1.00 0.00 O ATOM 2394 CB LEU A 161 5.030 9.550 4.491 1.00 0.00 C ATOM 2395 CG LEU A 161 4.070 9.977 5.604 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.639 11.156 6.379 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.705 10.326 5.026 1.00 0.00 C ATOM 0 H LEU A 161 6.233 8.188 2.412 1.00 0.00 H new ATOM 0 HA LEU A 161 3.916 7.745 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.974 9.246 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.242 10.415 3.863 1.00 0.00 H new ATOM 0 HG LEU A 161 3.949 9.141 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.942 11.445 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.592 10.872 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.791 11.997 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.035 10.627 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.810 11.146 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.292 9.455 4.517 1.00 0.00 H new ATOM 2409 N GLU A 162 2.421 8.547 2.399 1.00 0.00 N ATOM 2410 CA GLU A 162 1.518 8.997 1.344 1.00 0.00 C ATOM 2411 C GLU A 162 0.467 9.962 1.878 1.00 0.00 C ATOM 2412 O GLU A 162 -0.057 9.783 2.976 1.00 0.00 O ATOM 2413 CB GLU A 162 0.834 7.795 0.688 1.00 0.00 C ATOM 2414 CG GLU A 162 0.228 6.823 1.686 1.00 0.00 C ATOM 2415 CD GLU A 162 -1.026 6.153 1.160 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.980 5.605 0.039 1.00 0.00 O ATOM 2417 OE2 GLU A 162 -2.055 6.178 1.868 1.00 0.00 O ATOM 0 H GLU A 162 2.004 7.895 3.064 1.00 0.00 H new ATOM 0 HA GLU A 162 2.115 9.527 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.051 8.153 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 162 1.561 7.265 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 162 0.965 6.060 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -0.008 7.355 2.608 1.00 0.00 H new ATOM 2424 N TYR A 163 0.160 10.982 1.082 1.00 0.00 N ATOM 2425 CA TYR A 163 -0.834 11.978 1.460 1.00 0.00 C ATOM 2426 C TYR A 163 -1.781 12.261 0.298 1.00 0.00 C ATOM 2427 O TYR A 163 -1.511 11.881 -0.844 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.153 13.272 1.911 1.00 0.00 C ATOM 2429 CG TYR A 163 0.672 13.936 0.832 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.067 14.678 -0.173 1.00 0.00 C ATOM 2431 CD2 TYR A 163 2.057 13.822 0.821 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.819 15.288 -1.160 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.814 14.429 -0.163 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.191 15.160 -1.150 1.00 0.00 C ATOM 2435 OH TYR A 163 2.942 15.767 -2.131 1.00 0.00 O ATOM 0 H TYR A 163 0.587 11.140 0.169 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.414 11.580 2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.915 13.972 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.489 13.055 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.008 14.780 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.549 13.250 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.333 15.862 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.889 14.331 -0.158 1.00 0.00 H new ATOM 0 HH TYR A 163 3.892 15.580 -1.979 1.00 0.00 H new ATOM 2445 N GLN A 164 -2.893 12.926 0.596 1.00 0.00 N ATOM 2446 CA GLN A 164 -3.883 13.257 -0.422 1.00 0.00 C ATOM 2447 C GLN A 164 -3.432 14.453 -1.255 1.00 0.00 C ATOM 2448 O GLN A 164 -3.059 15.494 -0.713 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.233 13.558 0.231 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.166 14.651 1.286 1.00 0.00 C ATOM 2451 CD GLN A 164 -5.830 14.248 2.589 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -5.224 13.578 3.426 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.080 14.655 2.768 1.00 0.00 N ATOM 0 H GLN A 164 -3.131 13.246 1.535 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.988 12.397 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.944 13.852 -0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -5.618 12.646 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -4.123 14.902 1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -5.646 15.551 0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -7.544 15.209 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.577 14.414 3.626 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.794 10.559 4.757 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.381 10.406 5.084 1.00 0.00 C ATOM 2726 C LEU A 184 -2.121 9.064 5.759 1.00 0.00 C ATOM 2727 O LEU A 184 -2.781 8.712 6.737 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.919 11.548 5.993 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.221 12.953 5.471 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.584 13.423 5.958 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.134 13.927 5.903 1.00 0.00 C ATOM 0 HA LEU A 184 -1.813 10.440 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.392 11.430 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.844 11.457 6.147 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.239 12.919 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.781 14.425 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.354 12.740 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.595 13.441 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.365 14.922 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.084 13.957 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.173 13.600 5.505 1.00 0.00 H new ATOM 2743 N SER A 185 -1.158 8.316 5.229 1.00 0.00 N ATOM 2744 CA SER A 185 -0.814 7.011 5.781 1.00 0.00 C ATOM 2745 C SER A 185 0.694 6.784 5.757 1.00 0.00 C ATOM 2746 O SER A 185 1.397 7.300 4.885 1.00 0.00 O ATOM 2747 CB SER A 185 -1.521 5.903 5.001 1.00 0.00 C ATOM 2748 OG SER A 185 -2.929 6.070 5.034 1.00 0.00 O ATOM 0 H SER A 185 -0.603 8.591 4.419 1.00 0.00 H new ATOM 0 HA SER A 185 -1.147 6.987 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.176 5.906 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.257 4.933 5.422 1.00 0.00 H new ATOM 0 HG SER A 185 -3.356 5.349 4.526 1.00 0.00 H new ATOM 2754 N LEU A 186 1.182 6.004 6.718 1.00 0.00 N ATOM 2755 CA LEU A 186 2.609 5.700 6.808 1.00 0.00 C ATOM 2756 C LEU A 186 2.840 4.195 6.740 1.00 0.00 C ATOM 2757 O LEU A 186 2.103 3.419 7.350 1.00 0.00 O ATOM 2758 CB LEU A 186 3.207 6.258 8.108 1.00 0.00 C ATOM 2759 CG LEU A 186 2.357 7.304 8.837 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.434 6.634 9.842 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.248 8.325 9.529 1.00 0.00 C ATOM 0 H LEU A 186 0.612 5.571 7.445 1.00 0.00 H new ATOM 0 HA LEU A 186 3.106 6.175 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.389 5.426 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.177 6.700 7.879 1.00 0.00 H new ATOM 0 HG LEU A 186 1.744 7.824 8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.838 7.392 10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.773 5.940 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.029 6.088 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.628 9.061 10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.886 7.819 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.869 8.828 8.788 1.00 0.00 H new ATOM 2773 N GLY A 187 3.861 3.783 5.995 1.00 0.00 N ATOM 2774 CA GLY A 187 4.154 2.367 5.871 1.00 0.00 C ATOM 2775 C GLY A 187 5.593 2.093 5.483 1.00 0.00 C ATOM 2776 O GLY A 187 6.365 3.019 5.233 1.00 0.00 O ATOM 0 H GLY A 187 4.487 4.400 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.938 1.872 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.492 1.928 5.124 1.00 0.00 H new ATOM 2780 N VAL A 188 5.951 0.813 5.426 1.00 0.00 N ATOM 2781 CA VAL A 188 7.304 0.410 5.056 1.00 0.00 C ATOM 2782 C VAL A 188 7.268 -0.580 3.898 1.00 0.00 C ATOM 2783 O VAL A 188 6.429 -1.481 3.866 1.00 0.00 O ATOM 2784 CB VAL A 188 8.067 -0.219 6.242 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.715 0.862 7.094 1.00 0.00 C ATOM 2786 CG2 VAL A 188 7.150 -1.091 7.088 1.00 0.00 C ATOM 0 H VAL A 188 5.322 0.037 5.632 1.00 0.00 H new ATOM 0 HA VAL A 188 7.833 1.314 4.753 1.00 0.00 H new ATOM 0 HB VAL A 188 8.852 -0.857 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.248 0.400 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.416 1.433 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.945 1.529 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.716 -1.520 7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.334 -0.485 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.742 -1.893 6.473 1.00 0.00 H new ATOM 2796 N SER A 189 8.173 -0.402 2.942 1.00 0.00 N ATOM 2797 CA SER A 189 8.231 -1.277 1.777 1.00 0.00 C ATOM 2798 C SER A 189 9.670 -1.620 1.411 1.00 0.00 C ATOM 2799 O SER A 189 10.616 -1.056 1.961 1.00 0.00 O ATOM 2800 CB SER A 189 7.541 -0.610 0.587 1.00 0.00 C ATOM 2801 OG SER A 189 7.857 0.770 0.524 1.00 0.00 O ATOM 0 H SER A 189 8.875 0.338 2.951 1.00 0.00 H new ATOM 0 HA SER A 189 7.714 -2.203 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.848 -1.100 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.462 -0.736 0.671 1.00 0.00 H new ATOM 0 HG SER A 189 8.480 0.929 -0.215 1.00 0.00 H new ATOM 2807 N TYR A 190 9.821 -2.549 0.473 1.00 0.00 N ATOM 2808 CA TYR A 190 11.140 -2.973 0.018 1.00 0.00 C ATOM 2809 C TYR A 190 11.099 -3.370 -1.453 1.00 0.00 C ATOM 2810 O TYR A 190 10.042 -3.721 -1.983 1.00 0.00 O ATOM 2811 CB TYR A 190 11.645 -4.143 0.864 1.00 0.00 C ATOM 2812 CG TYR A 190 10.647 -5.272 0.998 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.587 -6.285 0.050 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.768 -5.323 2.070 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.677 -7.319 0.168 1.00 0.00 C ATOM 2816 CE2 TYR A 190 8.854 -6.353 2.196 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.814 -7.349 1.242 1.00 0.00 C ATOM 2818 OH TYR A 190 7.908 -8.376 1.363 1.00 0.00 O ATOM 0 H TYR A 190 9.044 -3.023 0.012 1.00 0.00 H new ATOM 0 HA TYR A 190 11.827 -2.134 0.132 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.562 -4.531 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.902 -3.777 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.262 -6.265 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 190 9.798 -4.545 2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 190 9.643 -8.099 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.176 -6.378 3.036 1.00 0.00 H new ATOM 0 HH TYR A 190 7.375 -8.248 2.176 1.00 0.00 H new ATOM 2828 N ARG A 191 12.253 -3.310 -2.110 1.00 0.00 N ATOM 2829 CA ARG A 191 12.348 -3.662 -3.522 1.00 0.00 C ATOM 2830 C ARG A 191 13.388 -4.755 -3.745 1.00 0.00 C ATOM 2831 O ARG A 191 14.297 -4.935 -2.933 1.00 0.00 O ATOM 2832 CB ARG A 191 12.702 -2.428 -4.353 1.00 0.00 C ATOM 2833 CG ARG A 191 14.078 -1.858 -4.043 1.00 0.00 C ATOM 2834 CD ARG A 191 14.064 -0.338 -4.024 1.00 0.00 C ATOM 2835 NE ARG A 191 15.094 0.230 -4.892 1.00 0.00 N ATOM 2836 CZ ARG A 191 14.974 0.335 -6.213 1.00 0.00 C ATOM 2837 NH1 ARG A 191 13.874 -0.086 -6.824 1.00 0.00 N ATOM 2838 NH2 ARG A 191 15.959 0.864 -6.926 1.00 0.00 N ATOM 0 H ARG A 191 13.135 -3.021 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 191 11.377 -4.042 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 191 12.655 -2.687 -5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 191 11.951 -1.657 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.418 -2.231 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 191 14.793 -2.206 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 191 13.085 0.020 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 191 14.216 0.013 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 191 15.955 0.565 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 191 13.113 -0.493 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 191 13.789 -0.002 -7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.807 1.190 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 191 15.869 0.945 -7.939 1.00 0.00 H new