USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 Single : A 18 THR OG1 : rot -15:sc= -0.551 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 0.604 (180deg=0.0349) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.7!) 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 X(o=0,f=-0.06) USER MOD Single : A 95 GLN : amide:sc= -0.408 K(o=-0.41,f=-3.3!) USER MOD Single : A 97 THR OG1 : rot -83:sc= -2.62 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -143:sc= -0.378 (180deg=-2.48!) USER MOD Single : A 142 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 30:sc= -0.834 USER MOD Single : A 164 GLN : amide:sc= -0.186 K(o=-0.19,f=-4.7!) USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.308 -3.492 -11.325 1.00 0.00 N ATOM 276 CA THR A 18 12.311 -3.142 -9.909 1.00 0.00 C ATOM 277 C THR A 18 11.018 -3.591 -9.235 1.00 0.00 C ATOM 278 O THR A 18 9.926 -3.401 -9.774 1.00 0.00 O ATOM 279 CB THR A 18 12.494 -1.633 -9.736 1.00 0.00 C ATOM 280 OG1 THR A 18 11.705 -0.921 -10.673 1.00 0.00 O ATOM 281 CG2 THR A 18 13.928 -1.182 -9.904 1.00 0.00 C ATOM 0 HA THR A 18 13.145 -3.659 -9.434 1.00 0.00 H new ATOM 0 HB THR A 18 12.181 -1.419 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.407 -1.531 -11.380 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.988 -0.102 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.554 -1.676 -9.161 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.277 -1.443 -10.903 1.00 0.00 H new ATOM 289 N TRP A 19 11.148 -4.187 -8.055 1.00 0.00 N ATOM 290 CA TRP A 19 9.992 -4.664 -7.307 1.00 0.00 C ATOM 291 C TRP A 19 9.930 -4.014 -5.927 1.00 0.00 C ATOM 292 O TRP A 19 10.961 -3.746 -5.309 1.00 0.00 O ATOM 293 CB TRP A 19 10.042 -6.187 -7.166 1.00 0.00 C ATOM 294 CG TRP A 19 8.839 -6.876 -7.732 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.541 -6.713 -7.342 1.00 0.00 C ATOM 296 CD2 TRP A 19 8.821 -7.840 -8.791 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.717 -7.515 -8.093 1.00 0.00 N ATOM 298 CE2 TRP A 19 7.480 -8.218 -8.990 1.00 0.00 C ATOM 299 CE3 TRP A 19 9.809 -8.421 -9.591 1.00 0.00 C ATOM 300 CZ2 TRP A 19 7.103 -9.147 -9.955 1.00 0.00 C ATOM 301 CZ3 TRP A 19 9.434 -9.344 -10.549 1.00 0.00 C ATOM 302 CH2 TRP A 19 8.091 -9.699 -10.724 1.00 0.00 C ATOM 0 H TRP A 19 12.044 -4.351 -7.596 1.00 0.00 H new ATOM 0 HA TRP A 19 9.094 -4.387 -7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.935 -6.562 -7.666 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.136 -6.444 -6.111 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.210 -6.050 -6.557 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.703 -7.578 -7.999 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.847 -8.153 -9.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.068 -9.422 -10.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.189 -9.799 -11.173 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.830 -10.423 -11.481 1.00 0.00 H new ATOM 313 N TYR A 20 8.716 -3.763 -5.451 1.00 0.00 N ATOM 314 CA TYR A 20 8.520 -3.146 -4.144 1.00 0.00 C ATOM 315 C TYR A 20 7.314 -3.751 -3.434 1.00 0.00 C ATOM 316 O TYR A 20 6.262 -3.953 -4.040 1.00 0.00 O ATOM 317 CB TYR A 20 8.331 -1.634 -4.295 1.00 0.00 C ATOM 318 CG TYR A 20 9.579 -0.909 -4.743 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.884 -0.782 -6.092 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.453 -0.352 -3.818 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.025 -0.118 -6.507 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.594 0.312 -4.223 1.00 0.00 C ATOM 323 CZ TYR A 20 11.876 0.425 -5.569 1.00 0.00 C ATOM 324 OH TYR A 20 13.012 1.087 -5.977 1.00 0.00 O ATOM 0 H TYR A 20 7.853 -3.977 -5.950 1.00 0.00 H new ATOM 0 HA TYR A 20 9.408 -3.337 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.534 -1.446 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.003 -1.220 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.220 -1.208 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.236 -0.440 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.247 -0.026 -7.560 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.262 0.740 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 20 13.502 1.410 -5.192 1.00 0.00 H new ATOM 334 N ALA A 21 7.475 -4.039 -2.147 1.00 0.00 N ATOM 335 CA ALA A 21 6.396 -4.622 -1.356 1.00 0.00 C ATOM 336 C ALA A 21 6.416 -4.094 0.074 1.00 0.00 C ATOM 337 O ALA A 21 7.478 -3.933 0.674 1.00 0.00 O ATOM 338 CB ALA A 21 6.501 -6.140 -1.363 1.00 0.00 C ATOM 0 H ALA A 21 8.340 -3.879 -1.630 1.00 0.00 H new ATOM 0 HA ALA A 21 5.448 -4.331 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.691 -6.564 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.430 -6.505 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.458 -6.440 -0.937 1.00 0.00 H new ATOM 344 N GLY A 22 5.230 -3.830 0.615 1.00 0.00 N ATOM 345 CA GLY A 22 5.132 -3.323 1.971 1.00 0.00 C ATOM 346 C GLY A 22 3.695 -3.109 2.405 1.00 0.00 C ATOM 347 O GLY A 22 2.771 -3.660 1.809 1.00 0.00 O ATOM 0 H GLY A 22 4.337 -3.958 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.615 -4.023 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.675 -2.381 2.044 1.00 0.00 H new ATOM 351 N GLY A 23 3.506 -2.304 3.446 1.00 0.00 N ATOM 352 CA GLY A 23 2.169 -2.033 3.938 1.00 0.00 C ATOM 353 C GLY A 23 2.052 -0.665 4.581 1.00 0.00 C ATOM 354 O GLY A 23 3.007 -0.169 5.183 1.00 0.00 O ATOM 0 H GLY A 23 4.254 -1.835 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.460 -2.105 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.891 -2.797 4.664 1.00 0.00 H new ATOM 358 N LYS A 24 0.877 -0.054 4.450 1.00 0.00 N ATOM 359 CA LYS A 24 0.634 1.266 5.021 1.00 0.00 C ATOM 360 C LYS A 24 -0.507 1.220 6.032 1.00 0.00 C ATOM 361 O LYS A 24 -1.389 0.365 5.952 1.00 0.00 O ATOM 362 CB LYS A 24 0.311 2.272 3.915 1.00 0.00 C ATOM 363 CG LYS A 24 -0.847 1.845 3.027 1.00 0.00 C ATOM 364 CD LYS A 24 -1.806 2.996 2.767 1.00 0.00 C ATOM 365 CE LYS A 24 -1.569 3.622 1.402 1.00 0.00 C ATOM 366 NZ LYS A 24 -1.836 5.087 1.409 1.00 0.00 N ATOM 0 H LYS A 24 0.080 -0.452 3.954 1.00 0.00 H new ATOM 0 HA LYS A 24 1.540 1.583 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.075 3.235 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.197 2.418 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.461 1.471 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.384 1.022 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.833 2.636 2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.685 3.753 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.539 3.442 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.211 3.140 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.290 5.543 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.851 5.256 1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.555 5.487 2.327 1.00 0.00 H new ATOM 380 N LEU A 25 -0.484 2.149 6.981 1.00 0.00 N ATOM 381 CA LEU A 25 -1.515 2.222 8.008 1.00 0.00 C ATOM 382 C LEU A 25 -1.946 3.668 8.236 1.00 0.00 C ATOM 383 O LEU A 25 -1.115 4.577 8.262 1.00 0.00 O ATOM 384 CB LEU A 25 -1.005 1.613 9.319 1.00 0.00 C ATOM 385 CG LEU A 25 -1.951 1.746 10.516 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.276 1.058 10.229 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.310 1.169 11.770 1.00 0.00 C ATOM 0 H LEU A 25 0.240 2.864 7.060 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.379 1.652 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.802 0.555 9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.056 2.084 9.574 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.144 2.805 10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.935 1.163 11.091 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.743 1.517 9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.102 0.000 10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.997 1.272 12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.086 0.114 11.612 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.387 1.707 11.987 1.00 0.00 H new ATOM 399 N GLY A 26 -3.250 3.873 8.394 1.00 0.00 N ATOM 400 CA GLY A 26 -3.766 5.211 8.613 1.00 0.00 C ATOM 401 C GLY A 26 -5.251 5.220 8.920 1.00 0.00 C ATOM 402 O GLY A 26 -5.821 4.193 9.292 1.00 0.00 O ATOM 0 H GLY A 26 -3.957 3.138 8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.225 5.674 9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.578 5.818 7.728 1.00 0.00 H new ATOM 799 N GLY A 53 -7.537 1.932 9.623 1.00 0.00 N ATOM 800 CA GLY A 53 -7.535 1.203 8.368 1.00 0.00 C ATOM 801 C GLY A 53 -6.134 0.854 7.907 1.00 0.00 C ATOM 802 O GLY A 53 -5.242 1.704 7.911 1.00 0.00 O ATOM 0 HA2 GLY A 53 -8.116 0.288 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.028 1.801 7.602 1.00 0.00 H new ATOM 806 N ALA A 54 -5.938 -0.399 7.511 1.00 0.00 N ATOM 807 CA ALA A 54 -4.634 -0.856 7.047 1.00 0.00 C ATOM 808 C ALA A 54 -4.696 -1.310 5.593 1.00 0.00 C ATOM 809 O ALA A 54 -5.684 -1.901 5.159 1.00 0.00 O ATOM 810 CB ALA A 54 -4.126 -1.986 7.932 1.00 0.00 C ATOM 0 H ALA A 54 -6.664 -1.115 7.502 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.940 -0.018 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.151 -2.318 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.034 -1.631 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.828 -2.819 7.897 1.00 0.00 H new ATOM 816 N GLY A 55 -3.637 -1.027 4.844 1.00 0.00 N ATOM 817 CA GLY A 55 -3.595 -1.414 3.448 1.00 0.00 C ATOM 818 C GLY A 55 -2.214 -1.848 3.004 1.00 0.00 C ATOM 819 O GLY A 55 -1.221 -1.189 3.313 1.00 0.00 O ATOM 0 H GLY A 55 -2.808 -0.537 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.299 -2.229 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.924 -0.576 2.833 1.00 0.00 H new ATOM 823 N ALA A 56 -2.149 -2.956 2.275 1.00 0.00 N ATOM 824 CA ALA A 56 -0.879 -3.474 1.784 1.00 0.00 C ATOM 825 C ALA A 56 -0.608 -2.989 0.364 1.00 0.00 C ATOM 826 O ALA A 56 -1.518 -2.921 -0.462 1.00 0.00 O ATOM 827 CB ALA A 56 -0.872 -4.996 1.840 1.00 0.00 C ATOM 0 H ALA A 56 -2.962 -3.513 2.011 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.083 -3.098 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.083 -5.369 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.015 -5.323 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.679 -5.387 1.220 1.00 0.00 H new ATOM 833 N PHE A 57 0.647 -2.648 0.085 1.00 0.00 N ATOM 834 CA PHE A 57 1.028 -2.165 -1.237 1.00 0.00 C ATOM 835 C PHE A 57 2.190 -2.974 -1.804 1.00 0.00 C ATOM 836 O PHE A 57 3.173 -3.242 -1.111 1.00 0.00 O ATOM 837 CB PHE A 57 1.404 -0.682 -1.171 1.00 0.00 C ATOM 838 CG PHE A 57 0.367 0.226 -1.766 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.193 -0.058 -3.003 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.049 1.361 -1.090 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.148 0.776 -3.553 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.003 2.199 -1.637 1.00 0.00 C ATOM 843 CZ PHE A 57 -1.554 1.905 -2.869 1.00 0.00 C ATOM 0 H PHE A 57 1.415 -2.697 0.755 1.00 0.00 H new ATOM 0 HA PHE A 57 0.172 -2.288 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.566 -0.402 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.349 -0.532 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.121 -0.940 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.376 1.594 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.577 0.545 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.317 3.083 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.301 2.557 -3.297 1.00 0.00 H new ATOM 853 N GLY A 58 2.069 -3.360 -3.070 1.00 0.00 N ATOM 854 CA GLY A 58 3.114 -4.133 -3.716 1.00 0.00 C ATOM 855 C GLY A 58 3.008 -4.091 -5.228 1.00 0.00 C ATOM 856 O GLY A 58 1.956 -4.392 -5.791 1.00 0.00 O ATOM 0 H GLY A 58 1.264 -3.151 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.088 -3.750 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.059 -5.168 -3.379 1.00 0.00 H new ATOM 860 N GLY A 59 4.099 -3.714 -5.889 1.00 0.00 N ATOM 861 CA GLY A 59 4.098 -3.640 -7.337 1.00 0.00 C ATOM 862 C GLY A 59 5.493 -3.708 -7.926 1.00 0.00 C ATOM 863 O GLY A 59 6.447 -4.065 -7.236 1.00 0.00 O ATOM 0 H GLY A 59 4.982 -3.459 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.498 -4.457 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.621 -2.711 -7.649 1.00 0.00 H new ATOM 867 N TYR A 60 5.610 -3.366 -9.204 1.00 0.00 N ATOM 868 CA TYR A 60 6.898 -3.391 -9.888 1.00 0.00 C ATOM 869 C TYR A 60 6.941 -2.359 -11.009 1.00 0.00 C ATOM 870 O TYR A 60 5.930 -2.085 -11.654 1.00 0.00 O ATOM 871 CB TYR A 60 7.170 -4.786 -10.453 1.00 0.00 C ATOM 872 CG TYR A 60 6.097 -5.275 -11.400 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.996 -5.976 -10.926 1.00 0.00 C ATOM 874 CD2 TYR A 60 6.186 -5.035 -12.765 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.012 -6.426 -11.787 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.205 -5.481 -13.632 1.00 0.00 C ATOM 877 CZ TYR A 60 4.123 -6.175 -13.138 1.00 0.00 C ATOM 878 OH TYR A 60 3.144 -6.619 -13.999 1.00 0.00 O ATOM 0 H TYR A 60 4.828 -3.068 -9.788 1.00 0.00 H new ATOM 0 HA TYR A 60 7.671 -3.142 -9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.127 -4.777 -10.975 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.263 -5.492 -9.627 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.907 -6.173 -9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.034 -4.492 -13.155 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.162 -6.971 -11.404 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.287 -5.286 -14.691 1.00 0.00 H new ATOM 0 HH TYR A 60 3.372 -6.359 -14.916 1.00 0.00 H new ATOM 888 N GLN A 61 8.121 -1.791 -11.238 1.00 0.00 N ATOM 889 CA GLN A 61 8.298 -0.790 -12.284 1.00 0.00 C ATOM 890 C GLN A 61 9.136 -1.348 -13.430 1.00 0.00 C ATOM 891 O GLN A 61 10.215 -1.900 -13.213 1.00 0.00 O ATOM 892 CB GLN A 61 8.965 0.463 -11.713 1.00 0.00 C ATOM 893 CG GLN A 61 8.828 1.685 -12.607 1.00 0.00 C ATOM 894 CD GLN A 61 8.517 2.946 -11.826 1.00 0.00 C ATOM 895 OE1 GLN A 61 7.872 2.899 -10.778 1.00 0.00 O ATOM 896 NE2 GLN A 61 8.974 4.084 -12.333 1.00 0.00 N ATOM 0 H GLN A 61 8.969 -2.007 -10.713 1.00 0.00 H new ATOM 0 HA GLN A 61 7.314 -0.524 -12.670 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.529 0.685 -10.739 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.023 0.259 -11.550 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.753 1.827 -13.166 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.038 1.510 -13.337 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.504 4.078 -13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.795 4.965 -11.851 1.00 0.00 H new ATOM 970 N LEU A 66 6.823 4.504 -15.669 1.00 0.00 N ATOM 971 CA LEU A 66 5.536 3.820 -15.617 1.00 0.00 C ATOM 972 C LEU A 66 5.650 2.502 -14.860 1.00 0.00 C ATOM 973 O LEU A 66 6.348 1.585 -15.293 1.00 0.00 O ATOM 974 CB LEU A 66 5.019 3.566 -17.037 1.00 0.00 C ATOM 975 CG LEU A 66 3.544 3.901 -17.261 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.667 3.129 -16.288 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.312 5.397 -17.124 1.00 0.00 C ATOM 0 HA LEU A 66 4.830 4.459 -15.087 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.618 4.151 -17.735 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.178 2.516 -17.282 1.00 0.00 H new ATOM 0 HG LEU A 66 3.272 3.604 -18.274 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.621 3.381 -16.463 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.813 2.059 -16.437 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.938 3.393 -15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.257 5.618 -17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.601 5.720 -16.124 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.912 5.927 -17.864 1.00 0.00 H new ATOM 989 N GLY A 67 4.957 2.409 -13.728 1.00 0.00 N ATOM 990 CA GLY A 67 4.997 1.195 -12.934 1.00 0.00 C ATOM 991 C GLY A 67 3.620 0.752 -12.483 1.00 0.00 C ATOM 992 O GLY A 67 2.688 1.554 -12.433 1.00 0.00 O ATOM 0 H GLY A 67 4.370 3.151 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.459 0.398 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.628 1.357 -12.060 1.00 0.00 H new ATOM 996 N PHE A 68 3.491 -0.529 -12.153 1.00 0.00 N ATOM 997 CA PHE A 68 2.219 -1.078 -11.701 1.00 0.00 C ATOM 998 C PHE A 68 2.242 -1.317 -10.195 1.00 0.00 C ATOM 999 O PHE A 68 3.165 -1.944 -9.673 1.00 0.00 O ATOM 1000 CB PHE A 68 1.912 -2.386 -12.434 1.00 0.00 C ATOM 1001 CG PHE A 68 1.876 -2.242 -13.929 1.00 0.00 C ATOM 1002 CD1 PHE A 68 0.754 -1.730 -14.560 1.00 0.00 C ATOM 1003 CD2 PHE A 68 2.963 -2.619 -14.702 1.00 0.00 C ATOM 1004 CE1 PHE A 68 0.717 -1.596 -15.937 1.00 0.00 C ATOM 1005 CE2 PHE A 68 2.933 -2.487 -16.075 1.00 0.00 C ATOM 1006 CZ PHE A 68 1.808 -1.976 -16.694 1.00 0.00 C ATOM 0 H PHE A 68 4.253 -1.206 -12.190 1.00 0.00 H new ATOM 0 HA PHE A 68 1.436 -0.355 -11.927 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.664 -3.128 -12.167 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.951 -2.768 -12.091 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.101 -1.432 -13.971 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.844 -3.021 -14.224 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.163 -1.195 -16.418 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.788 -2.783 -16.665 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.782 -1.874 -17.769 1.00 0.00 H new ATOM 1016 N GLU A 69 1.228 -0.811 -9.500 1.00 0.00 N ATOM 1017 CA GLU A 69 1.143 -0.969 -8.053 1.00 0.00 C ATOM 1018 C GLU A 69 -0.157 -1.658 -7.650 1.00 0.00 C ATOM 1019 O GLU A 69 -1.244 -1.241 -8.052 1.00 0.00 O ATOM 1020 CB GLU A 69 1.245 0.393 -7.366 1.00 0.00 C ATOM 1021 CG GLU A 69 1.696 0.311 -5.917 1.00 0.00 C ATOM 1022 CD GLU A 69 2.548 1.496 -5.504 1.00 0.00 C ATOM 1023 OE1 GLU A 69 2.098 2.645 -5.690 1.00 0.00 O ATOM 1024 OE2 GLU A 69 3.667 1.274 -4.996 1.00 0.00 O ATOM 0 H GLU A 69 0.456 -0.289 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 69 1.976 -1.596 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.944 1.019 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.274 0.886 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.820 0.255 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.262 -0.608 -5.768 1.00 0.00 H new ATOM 1031 N MET A 70 -0.034 -2.710 -6.848 1.00 0.00 N ATOM 1032 CA MET A 70 -1.194 -3.456 -6.378 1.00 0.00 C ATOM 1033 C MET A 70 -1.426 -3.204 -4.891 1.00 0.00 C ATOM 1034 O MET A 70 -0.515 -3.362 -4.077 1.00 0.00 O ATOM 1035 CB MET A 70 -1.004 -4.953 -6.634 1.00 0.00 C ATOM 1036 CG MET A 70 -2.254 -5.642 -7.157 1.00 0.00 C ATOM 1037 SD MET A 70 -1.937 -7.331 -7.703 1.00 0.00 S ATOM 1038 CE MET A 70 -3.532 -7.771 -8.388 1.00 0.00 C ATOM 0 H MET A 70 0.860 -3.066 -6.509 1.00 0.00 H new ATOM 0 HA MET A 70 -2.069 -3.113 -6.930 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.195 -5.091 -7.352 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.693 -5.436 -5.707 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.013 -5.653 -6.374 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.662 -5.066 -7.988 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.496 -8.792 -8.768 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.294 -7.700 -7.611 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.779 -7.089 -9.202 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.644 -2.805 -4.544 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.963 -2.532 -3.155 1.00 0.00 C ATOM 1050 C GLY A 71 -3.902 -3.561 -2.556 1.00 0.00 C ATOM 1051 O GLY A 71 -4.543 -4.322 -3.279 1.00 0.00 O ATOM 0 H GLY A 71 -3.415 -2.666 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.041 -2.505 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.417 -1.544 -3.078 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.982 -3.581 -1.230 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.852 -4.519 -0.529 1.00 0.00 C ATOM 1057 C TYR A 72 -5.565 -3.828 0.627 1.00 0.00 C ATOM 1058 O TYR A 72 -4.930 -3.390 1.586 1.00 0.00 O ATOM 1059 CB TYR A 72 -4.042 -5.707 -0.009 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.411 -6.537 -1.104 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.164 -7.452 -1.830 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.063 -6.405 -1.412 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.592 -8.212 -2.832 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.483 -7.161 -2.414 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.251 -8.063 -3.120 1.00 0.00 C ATOM 1066 OH TYR A 72 -1.678 -8.817 -4.117 1.00 0.00 O ATOM 0 H TYR A 72 -3.455 -2.958 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.601 -4.883 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -3.258 -5.339 0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.692 -6.345 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.214 -7.571 -1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.458 -5.701 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.191 -8.919 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.434 -7.046 -2.643 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.728 -8.590 -4.193 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.887 -3.727 0.529 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.683 -3.082 1.569 1.00 0.00 C ATOM 1078 C ASP A 73 -7.965 -4.045 2.719 1.00 0.00 C ATOM 1079 O ASP A 73 -8.577 -5.097 2.524 1.00 0.00 O ATOM 1080 CB ASP A 73 -9.001 -2.563 0.990 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.819 -1.889 -0.356 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.359 -2.565 -1.301 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.138 -0.688 -0.467 1.00 0.00 O ATOM 0 H ASP A 73 -7.429 -4.083 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.108 -2.240 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.700 -3.393 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.448 -1.856 1.689 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.516 -3.672 3.915 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.718 -4.496 5.103 1.00 0.00 C ATOM 1090 C TRP A 74 -8.152 -3.640 6.290 1.00 0.00 C ATOM 1091 O TRP A 74 -7.469 -2.686 6.668 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.431 -5.253 5.445 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.588 -6.742 5.399 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.166 -7.536 6.347 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.156 -7.617 4.350 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.122 -8.851 5.952 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.507 -8.927 4.730 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -5.508 -7.420 3.127 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.230 -10.034 3.930 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -5.234 -8.518 2.335 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -5.595 -9.810 2.738 1.00 0.00 C ATOM 0 H TRP A 74 -7.009 -2.803 4.087 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.509 -5.215 4.890 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.647 -4.956 4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.100 -4.960 6.441 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.595 -7.182 7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.488 -9.642 6.482 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.227 -6.427 2.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.506 -11.031 4.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -4.733 -8.378 1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.368 -10.647 2.095 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.303 -8.048 2.364 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.994 -7.992 1.724 1.00 0.00 C ATOM 1363 C GLN A 92 -11.078 -7.216 0.416 1.00 0.00 C ATOM 1364 O GLN A 92 -11.889 -7.536 -0.454 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.467 -9.405 1.461 1.00 0.00 C ATOM 1366 CG GLN A 92 -9.075 -9.431 0.852 1.00 0.00 C ATOM 1367 CD GLN A 92 -8.660 -10.821 0.408 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -8.875 -11.802 1.118 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -8.062 -10.910 -0.773 1.00 0.00 N ATOM 0 HA GLN A 92 -10.304 -7.480 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.455 -9.960 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.156 -9.923 0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.044 -8.756 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.356 -9.056 1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.904 -10.070 -1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.761 -11.819 -1.125 1.00 0.00 H new ATOM 1378 N GLY A 93 -10.247 -6.186 0.283 1.00 0.00 N ATOM 1379 CA GLY A 93 -10.265 -5.381 -0.925 1.00 0.00 C ATOM 1380 C GLY A 93 -8.980 -5.473 -1.723 1.00 0.00 C ATOM 1381 O GLY A 93 -7.887 -5.499 -1.161 1.00 0.00 O ATOM 0 H GLY A 93 -9.566 -5.896 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.098 -5.698 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.445 -4.340 -0.657 1.00 0.00 H new ATOM 1385 N VAL A 94 -9.122 -5.506 -3.045 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.973 -5.576 -3.942 1.00 0.00 C ATOM 1387 C VAL A 94 -7.830 -4.266 -4.707 1.00 0.00 C ATOM 1388 O VAL A 94 -8.792 -3.775 -5.300 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.087 -6.749 -4.947 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.203 -7.910 -4.515 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.530 -7.208 -5.099 1.00 0.00 C ATOM 0 H VAL A 94 -10.025 -5.485 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.091 -5.749 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.745 -6.391 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.296 -8.725 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.165 -7.581 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.514 -8.257 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.577 -8.032 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.910 -7.541 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.139 -6.380 -5.462 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.635 -3.686 -4.673 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.384 -2.417 -5.345 1.00 0.00 C ATOM 1403 C GLN A 95 -5.502 -2.592 -6.579 1.00 0.00 C ATOM 1404 O GLN A 95 -4.600 -3.429 -6.603 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.732 -1.432 -4.373 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.473 -0.110 -4.257 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.561 1.034 -3.856 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.828 1.745 -2.889 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -4.477 1.214 -4.602 1.00 0.00 N ATOM 0 H GLN A 95 -5.826 -4.074 -4.188 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.344 -2.023 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.672 -1.893 -3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.709 -1.238 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.945 0.123 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.272 -0.208 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.296 0.599 -5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.825 1.967 -4.382 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.772 -1.781 -7.599 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.016 -1.815 -8.844 1.00 0.00 C ATOM 1420 C LEU A 96 -4.788 -0.394 -9.347 1.00 0.00 C ATOM 1421 O LEU A 96 -5.742 0.319 -9.658 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.767 -2.642 -9.894 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.246 -2.517 -11.330 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.220 -3.878 -12.011 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.104 -1.542 -12.124 1.00 0.00 C ATOM 0 H LEU A 96 -6.518 -1.085 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.048 -2.283 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.726 -3.691 -9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.816 -2.348 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.227 -2.132 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.847 -3.768 -13.029 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.566 -4.550 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.228 -4.292 -12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.720 -1.465 -13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.133 -1.901 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.074 -0.561 -11.650 1.00 0.00 H new ATOM 1437 N THR A 97 -3.526 0.029 -9.407 1.00 0.00 N ATOM 1438 CA THR A 97 -3.211 1.379 -9.856 1.00 0.00 C ATOM 1439 C THR A 97 -1.820 1.461 -10.469 1.00 0.00 C ATOM 1440 O THR A 97 -0.995 0.562 -10.302 1.00 0.00 O ATOM 1441 CB THR A 97 -3.313 2.356 -8.680 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.674 3.583 -8.991 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.691 1.830 -7.403 1.00 0.00 C ATOM 0 H THR A 97 -2.716 -0.537 -9.153 1.00 0.00 H new ATOM 0 HA THR A 97 -3.934 1.648 -10.627 1.00 0.00 H new ATOM 0 HB THR A 97 -4.382 2.494 -8.514 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.712 3.502 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.799 2.573 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.193 0.909 -7.106 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.633 1.629 -7.570 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.566 2.561 -11.169 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.276 2.792 -11.804 1.00 0.00 C ATOM 1453 C ALA A 98 0.580 3.714 -10.945 1.00 0.00 C ATOM 1454 O ALA A 98 0.105 4.742 -10.458 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.467 3.382 -13.194 1.00 0.00 C ATOM 0 H ALA A 98 -2.243 3.311 -11.311 1.00 0.00 H new ATOM 0 HA ALA A 98 0.239 1.836 -11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.506 3.549 -13.655 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.045 2.690 -13.807 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.999 4.330 -13.117 1.00 0.00 H new ATOM 1461 N LYS A 99 1.840 3.337 -10.753 1.00 0.00 N ATOM 1462 CA LYS A 99 2.759 4.125 -9.942 1.00 0.00 C ATOM 1463 C LYS A 99 3.873 4.732 -10.789 1.00 0.00 C ATOM 1464 O LYS A 99 4.501 4.044 -11.598 1.00 0.00 O ATOM 1465 CB LYS A 99 3.364 3.259 -8.835 1.00 0.00 C ATOM 1466 CG LYS A 99 4.071 2.016 -9.354 1.00 0.00 C ATOM 1467 CD LYS A 99 5.338 1.726 -8.564 1.00 0.00 C ATOM 1468 CE LYS A 99 5.833 0.310 -8.807 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.963 -0.046 -7.904 1.00 0.00 N ATOM 0 H LYS A 99 2.248 2.490 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 99 2.190 4.940 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.072 3.858 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.573 2.957 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.398 1.161 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.320 2.150 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.114 2.437 -8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.146 1.868 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.013 -0.392 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.152 0.210 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.272 -1.019 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.755 0.608 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.652 0.025 -6.914 1.00 0.00 H new ATOM 1483 N LEU A 100 4.117 6.023 -10.592 1.00 0.00 N ATOM 1484 CA LEU A 100 5.160 6.732 -11.324 1.00 0.00 C ATOM 1485 C LEU A 100 5.960 7.627 -10.383 1.00 0.00 C ATOM 1486 O LEU A 100 5.401 8.498 -9.712 1.00 0.00 O ATOM 1487 CB LEU A 100 4.552 7.562 -12.462 1.00 0.00 C ATOM 1488 CG LEU A 100 3.822 8.836 -12.026 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.785 10.013 -11.971 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.668 9.137 -12.972 1.00 0.00 C ATOM 0 H LEU A 100 3.604 6.602 -9.928 1.00 0.00 H new ATOM 0 HA LEU A 100 5.835 5.994 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.348 7.838 -13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.853 6.934 -13.014 1.00 0.00 H new ATOM 0 HG LEU A 100 3.418 8.676 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.248 10.909 -11.659 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.580 9.800 -11.256 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.218 10.175 -12.958 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.160 10.045 -12.648 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.053 9.277 -13.982 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.964 8.305 -12.964 1.00 0.00 H new ATOM 1502 N GLY A 101 7.271 7.406 -10.331 1.00 0.00 N ATOM 1503 CA GLY A 101 8.124 8.199 -9.464 1.00 0.00 C ATOM 1504 C GLY A 101 9.595 8.050 -9.797 1.00 0.00 C ATOM 1505 O GLY A 101 9.955 7.365 -10.754 1.00 0.00 O ATOM 0 H GLY A 101 7.757 6.692 -10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.842 9.249 -9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.958 7.903 -8.428 1.00 0.00 H new ATOM 1509 N TYR A 102 10.446 8.693 -9.004 1.00 0.00 N ATOM 1510 CA TYR A 102 11.889 8.631 -9.219 1.00 0.00 C ATOM 1511 C TYR A 102 12.647 9.157 -8.002 1.00 0.00 C ATOM 1512 O TYR A 102 12.102 9.923 -7.205 1.00 0.00 O ATOM 1513 CB TYR A 102 12.269 9.442 -10.461 1.00 0.00 C ATOM 1514 CG TYR A 102 11.838 10.889 -10.397 1.00 0.00 C ATOM 1515 CD1 TYR A 102 10.526 11.255 -10.669 1.00 0.00 C ATOM 1516 CD2 TYR A 102 12.742 11.889 -10.065 1.00 0.00 C ATOM 1517 CE1 TYR A 102 10.127 12.577 -10.612 1.00 0.00 C ATOM 1518 CE2 TYR A 102 12.352 13.214 -10.005 1.00 0.00 C ATOM 1519 CZ TYR A 102 11.044 13.552 -10.278 1.00 0.00 C ATOM 1520 OH TYR A 102 10.652 14.869 -10.220 1.00 0.00 O ATOM 0 H TYR A 102 10.163 9.263 -8.207 1.00 0.00 H new ATOM 0 HA TYR A 102 12.166 7.588 -9.370 1.00 0.00 H new ATOM 0 HB2 TYR A 102 13.350 9.400 -10.595 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.821 8.977 -11.339 1.00 0.00 H new ATOM 0 HD1 TYR A 102 9.806 10.494 -10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 102 13.768 11.627 -9.850 1.00 0.00 H new ATOM 0 HE1 TYR A 102 9.103 12.845 -10.828 1.00 0.00 H new ATOM 0 HE2 TYR A 102 13.068 13.980 -9.746 1.00 0.00 H new ATOM 0 HH TYR A 102 11.417 15.427 -9.970 1.00 0.00 H new ATOM 1530 N PRO A 103 13.922 8.756 -7.842 1.00 0.00 N ATOM 1531 CA PRO A 103 14.755 9.199 -6.718 1.00 0.00 C ATOM 1532 C PRO A 103 14.930 10.713 -6.705 1.00 0.00 C ATOM 1533 O PRO A 103 14.597 11.390 -7.676 1.00 0.00 O ATOM 1534 CB PRO A 103 16.100 8.504 -6.958 1.00 0.00 C ATOM 1535 CG PRO A 103 16.089 8.121 -8.399 1.00 0.00 C ATOM 1536 CD PRO A 103 14.654 7.849 -8.743 1.00 0.00 C ATOM 0 HA PRO A 103 14.308 8.948 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.933 9.170 -6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.211 7.628 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.494 8.921 -9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.706 7.240 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.442 8.063 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.388 6.806 -8.570 1.00 0.00 H new ATOM 1601 N LEU A 108 16.350 8.621 -1.374 1.00 0.00 N ATOM 1602 CA LEU A 108 15.064 9.280 -1.184 1.00 0.00 C ATOM 1603 C LEU A 108 14.354 9.432 -2.526 1.00 0.00 C ATOM 1604 O LEU A 108 14.863 10.090 -3.429 1.00 0.00 O ATOM 1605 CB LEU A 108 15.252 10.654 -0.520 1.00 0.00 C ATOM 1606 CG LEU A 108 16.704 11.048 -0.213 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.864 12.560 -0.212 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.143 10.466 1.123 1.00 0.00 C ATOM 0 HA LEU A 108 14.450 8.664 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.817 11.414 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.686 10.668 0.411 1.00 0.00 H new ATOM 0 HG LEU A 108 17.341 10.638 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.900 12.816 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.592 12.955 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.214 12.994 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.174 10.755 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.498 10.846 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.071 9.379 1.087 1.00 0.00 H new ATOM 1620 N ASP A 109 13.188 8.803 -2.660 1.00 0.00 N ATOM 1621 CA ASP A 109 12.439 8.866 -3.912 1.00 0.00 C ATOM 1622 C ASP A 109 10.996 9.311 -3.691 1.00 0.00 C ATOM 1623 O ASP A 109 10.440 9.143 -2.605 1.00 0.00 O ATOM 1624 CB ASP A 109 12.452 7.500 -4.607 1.00 0.00 C ATOM 1625 CG ASP A 109 13.803 6.811 -4.517 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.272 6.568 -3.386 1.00 0.00 O ATOM 1627 OD2 ASP A 109 14.388 6.515 -5.580 1.00 0.00 O ATOM 0 H ASP A 109 12.746 8.250 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 109 12.928 9.607 -4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.692 6.861 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.182 7.627 -5.655 1.00 0.00 H new ATOM 1632 N ILE A 110 10.398 9.868 -4.740 1.00 0.00 N ATOM 1633 CA ILE A 110 9.016 10.331 -4.687 1.00 0.00 C ATOM 1634 C ILE A 110 8.197 9.689 -5.805 1.00 0.00 C ATOM 1635 O ILE A 110 8.659 9.593 -6.940 1.00 0.00 O ATOM 1636 CB ILE A 110 8.935 11.869 -4.808 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.338 12.324 -6.216 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.824 12.528 -3.763 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.169 12.791 -7.055 1.00 0.00 C ATOM 0 H ILE A 110 10.853 10.010 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 110 8.606 10.037 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 110 7.903 12.174 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.063 13.134 -6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.836 11.500 -6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.757 13.612 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.496 12.232 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.857 12.213 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.526 13.098 -8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.453 11.977 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.684 13.635 -6.565 1.00 0.00 H new ATOM 1651 N TYR A 111 6.985 9.236 -5.484 1.00 0.00 N ATOM 1652 CA TYR A 111 6.135 8.599 -6.485 1.00 0.00 C ATOM 1653 C TYR A 111 4.657 8.817 -6.183 1.00 0.00 C ATOM 1654 O TYR A 111 4.276 9.109 -5.050 1.00 0.00 O ATOM 1655 CB TYR A 111 6.435 7.100 -6.551 1.00 0.00 C ATOM 1656 CG TYR A 111 6.108 6.360 -5.274 1.00 0.00 C ATOM 1657 CD1 TYR A 111 6.979 6.382 -4.194 1.00 0.00 C ATOM 1658 CD2 TYR A 111 4.925 5.641 -5.150 1.00 0.00 C ATOM 1659 CE1 TYR A 111 6.683 5.707 -3.024 1.00 0.00 C ATOM 1660 CE2 TYR A 111 4.623 4.964 -3.984 1.00 0.00 C ATOM 1661 CZ TYR A 111 5.503 4.999 -2.925 1.00 0.00 C ATOM 1662 OH TYR A 111 5.205 4.327 -1.763 1.00 0.00 O ATOM 0 H TYR A 111 6.576 9.298 -4.552 1.00 0.00 H new ATOM 0 HA TYR A 111 6.354 9.058 -7.449 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.868 6.660 -7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.491 6.959 -6.782 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.903 6.935 -4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.231 5.611 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.372 5.734 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 111 3.700 4.409 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 111 4.338 3.880 -1.857 1.00 0.00 H new ATOM 1672 N THR A 112 3.830 8.665 -7.212 1.00 0.00 N ATOM 1673 CA THR A 112 2.389 8.834 -7.073 1.00 0.00 C ATOM 1674 C THR A 112 1.651 7.653 -7.694 1.00 0.00 C ATOM 1675 O THR A 112 2.129 7.047 -8.652 1.00 0.00 O ATOM 1676 CB THR A 112 1.938 10.138 -7.731 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.399 10.212 -9.068 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.429 11.374 -7.007 1.00 0.00 C ATOM 0 H THR A 112 4.135 8.424 -8.155 1.00 0.00 H new ATOM 0 HA THR A 112 2.150 8.877 -6.010 1.00 0.00 H new ATOM 0 HB THR A 112 0.849 10.120 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.098 11.053 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.074 12.265 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.048 11.373 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.519 11.376 -6.988 1.00 0.00 H new ATOM 1686 N ARG A 113 0.486 7.325 -7.140 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.305 6.208 -7.644 1.00 0.00 C ATOM 1688 C ARG A 113 -1.714 6.652 -8.028 1.00 0.00 C ATOM 1689 O ARG A 113 -2.421 7.272 -7.231 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.379 5.095 -6.598 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.790 5.581 -5.217 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.089 4.936 -4.760 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.465 5.359 -3.412 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.600 5.006 -2.812 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -4.474 4.226 -3.436 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -3.863 5.436 -1.587 1.00 0.00 N ATOM 0 H ARG A 113 0.072 7.814 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 113 0.189 5.830 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.089 4.339 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.594 4.609 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.000 5.355 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.907 6.665 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.887 5.194 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.983 3.851 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.819 5.961 -2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.278 3.894 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.342 3.959 -2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.196 6.037 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.732 5.166 -1.127 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.113 6.317 -9.254 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.442 6.664 -9.756 1.00 0.00 C ATOM 1712 C LEU A 114 -4.140 5.421 -10.304 1.00 0.00 C ATOM 1713 O LEU A 114 -3.616 4.747 -11.192 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.338 7.737 -10.849 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.652 8.075 -11.566 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.682 9.541 -11.982 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.845 7.175 -12.779 1.00 0.00 C ATOM 0 H LEU A 114 -1.534 5.805 -9.919 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.031 7.064 -8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.942 8.649 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.613 7.405 -11.592 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.472 7.901 -10.870 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.623 9.756 -12.488 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.593 10.172 -11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.852 9.744 -12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.782 7.429 -13.275 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.017 7.317 -13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.875 6.134 -12.458 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.316 5.112 -9.763 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.050 3.942 -10.213 1.00 0.00 C ATOM 1731 C GLY A 115 -7.369 3.764 -9.489 1.00 0.00 C ATOM 1732 O GLY A 115 -8.135 4.716 -9.342 1.00 0.00 O ATOM 0 H GLY A 115 -5.772 5.648 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.236 4.025 -11.284 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.436 3.054 -10.064 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.642 2.541 -9.036 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.882 2.275 -8.333 1.00 0.00 C ATOM 1738 C GLY A 116 -8.792 1.071 -7.419 1.00 0.00 C ATOM 1739 O GLY A 116 -7.821 0.314 -7.469 1.00 0.00 O ATOM 0 H GLY A 116 -7.027 1.734 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.157 3.151 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.679 2.115 -9.059 1.00 0.00 H new ATOM 1743 N MET A 117 -9.805 0.896 -6.578 1.00 0.00 N ATOM 1744 CA MET A 117 -9.840 -0.221 -5.643 1.00 0.00 C ATOM 1745 C MET A 117 -11.134 -1.013 -5.790 1.00 0.00 C ATOM 1746 O MET A 117 -12.199 -0.443 -6.041 1.00 0.00 O ATOM 1747 CB MET A 117 -9.697 0.283 -4.206 1.00 0.00 C ATOM 1748 CG MET A 117 -10.865 1.140 -3.742 1.00 0.00 C ATOM 1749 SD MET A 117 -10.336 2.626 -2.867 1.00 0.00 S ATOM 1750 CE MET A 117 -10.154 1.992 -1.201 1.00 0.00 C ATOM 0 H MET A 117 -10.614 1.515 -6.525 1.00 0.00 H new ATOM 0 HA MET A 117 -9.003 -0.880 -5.873 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.597 -0.573 -3.538 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.777 0.862 -4.123 1.00 0.00 H new ATOM 0 HG2 MET A 117 -11.465 1.426 -4.606 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.507 0.549 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.479 2.748 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.764 1.096 -1.084 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.108 1.745 -1.018 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.035 -2.329 -5.633 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.197 -3.203 -5.744 1.00 0.00 C ATOM 1762 C VAL A 118 -12.358 -4.054 -4.488 1.00 0.00 C ATOM 1763 O VAL A 118 -11.433 -4.754 -4.078 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.093 -4.133 -6.973 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.473 -4.628 -7.382 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.409 -3.424 -8.137 1.00 0.00 C ATOM 0 H VAL A 118 -10.161 -2.814 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.068 -2.559 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.483 -4.994 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.383 -5.282 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.921 -5.180 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.105 -3.776 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.348 -4.100 -8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.985 -2.541 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.404 -3.123 -7.840 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.538 -3.985 -3.878 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.817 -4.748 -2.664 1.00 0.00 C ATOM 1778 C TRP A 119 -14.673 -5.972 -2.975 1.00 0.00 C ATOM 1779 O TRP A 119 -15.378 -6.007 -3.982 1.00 0.00 O ATOM 1780 CB TRP A 119 -14.529 -3.866 -1.636 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.623 -2.877 -0.969 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.482 -2.330 -1.485 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -13.780 -2.317 0.340 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -11.922 -1.464 -0.577 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -12.701 -1.439 0.551 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -14.730 -2.473 1.354 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -12.546 -0.719 1.733 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -14.575 -1.758 2.527 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -13.490 -0.891 2.708 1.00 0.00 C ATOM 0 H TRP A 119 -14.315 -3.410 -4.203 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.866 -5.085 -2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -15.340 -3.330 -2.129 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.983 -4.502 -0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.079 -2.547 -2.463 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -11.066 -0.927 -0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.569 -3.140 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -11.711 -0.049 1.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -15.303 -1.870 3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -13.397 -0.347 3.636 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.480 -0.941 -5.717 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.521 -0.360 -6.650 1.00 0.00 C ATOM 2093 C VAL A 141 -15.460 1.158 -6.508 1.00 0.00 C ATOM 2094 O VAL A 141 -16.489 1.832 -6.513 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.871 -0.718 -8.109 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.234 -0.162 -8.489 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.795 -0.210 -9.058 1.00 0.00 C ATOM 0 HA VAL A 141 -14.546 -0.781 -6.404 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.915 -1.804 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.460 -0.427 -9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.995 -0.583 -7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.226 0.923 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -15.060 -0.472 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.714 0.873 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.839 -0.667 -8.802 1.00 0.00 H new ATOM 2107 N SER A 142 -14.248 1.689 -6.381 1.00 0.00 N ATOM 2108 CA SER A 142 -14.061 3.127 -6.239 1.00 0.00 C ATOM 2109 C SER A 142 -12.654 3.546 -6.670 1.00 0.00 C ATOM 2110 O SER A 142 -11.665 2.954 -6.238 1.00 0.00 O ATOM 2111 CB SER A 142 -14.308 3.552 -4.790 1.00 0.00 C ATOM 2112 OG SER A 142 -13.236 3.158 -3.951 1.00 0.00 O ATOM 0 H SER A 142 -13.384 1.147 -6.374 1.00 0.00 H new ATOM 0 HA SER A 142 -14.781 3.625 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.433 4.634 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.236 3.108 -4.431 1.00 0.00 H new ATOM 0 HG SER A 142 -13.418 3.443 -3.031 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.545 4.578 -7.527 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.251 5.071 -8.007 1.00 0.00 C ATOM 2120 C PRO A 143 -10.548 5.943 -6.972 1.00 0.00 C ATOM 2121 O PRO A 143 -11.198 6.654 -6.206 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.633 5.897 -9.232 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.997 6.411 -8.925 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.671 5.350 -8.094 1.00 0.00 C ATOM 0 HA PRO A 143 -10.551 4.263 -8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.929 6.713 -9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.632 5.289 -10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.944 7.355 -8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.556 6.601 -9.841 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.290 5.788 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.322 4.721 -8.700 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.219 5.886 -6.953 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.441 6.676 -6.007 1.00 0.00 C ATOM 2134 C VAL A 144 -7.024 6.917 -6.515 1.00 0.00 C ATOM 2135 O VAL A 144 -6.472 6.104 -7.258 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.369 5.995 -4.626 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.756 5.877 -4.014 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.706 4.628 -4.735 1.00 0.00 C ATOM 0 H VAL A 144 -8.662 5.304 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.954 7.633 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.760 6.615 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.684 5.394 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.187 6.871 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.393 5.281 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.665 4.164 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.284 3.996 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.694 4.744 -5.124 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.441 8.037 -6.103 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.087 8.392 -6.508 1.00 0.00 C ATOM 2150 C PHE A 145 -4.396 9.199 -5.413 1.00 0.00 C ATOM 2151 O PHE A 145 -4.907 10.231 -4.979 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.113 9.194 -7.811 1.00 0.00 C ATOM 2153 CG PHE A 145 -6.157 10.272 -7.831 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -5.929 11.488 -7.207 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -7.368 10.071 -8.474 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -6.889 12.483 -7.223 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -8.332 11.062 -8.493 1.00 0.00 C ATOM 2158 CZ PHE A 145 -8.091 12.269 -7.867 1.00 0.00 C ATOM 0 H PHE A 145 -6.887 8.716 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.526 7.472 -6.672 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -4.134 9.645 -7.970 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.289 8.513 -8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -4.990 11.661 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -7.561 9.129 -8.966 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -6.699 13.426 -6.732 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -9.272 10.892 -8.997 1.00 0.00 H new ATOM 0 HZ PHE A 145 -8.842 13.045 -7.881 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.238 8.723 -4.965 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.496 9.409 -3.914 1.00 0.00 C ATOM 2170 C ALA A 146 -1.011 9.503 -4.250 1.00 0.00 C ATOM 2171 O ALA A 146 -0.525 8.838 -5.165 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.690 8.701 -2.584 1.00 0.00 C ATOM 0 H ALA A 146 -2.796 7.871 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.887 10.424 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.130 9.224 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.749 8.695 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.330 7.675 -2.662 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.296 10.333 -3.499 1.00 0.00 N ATOM 2179 CA GLY A 147 1.128 10.502 -3.722 1.00 0.00 C ATOM 2180 C GLY A 147 1.915 10.454 -2.428 1.00 0.00 C ATOM 2181 O GLY A 147 1.430 10.894 -1.386 1.00 0.00 O ATOM 0 H GLY A 147 -0.678 10.893 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.485 9.721 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 147 1.306 11.455 -4.220 1.00 0.00 H new ATOM 2185 N GLY A 148 3.128 9.917 -2.488 1.00 0.00 N ATOM 2186 CA GLY A 148 3.949 9.826 -1.296 1.00 0.00 C ATOM 2187 C GLY A 148 5.430 9.764 -1.604 1.00 0.00 C ATOM 2188 O GLY A 148 5.834 9.794 -2.769 1.00 0.00 O ATOM 0 H GLY A 148 3.556 9.545 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.751 10.688 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.663 8.939 -0.731 1.00 0.00 H new ATOM 2192 N VAL A 149 6.239 9.676 -0.556 1.00 0.00 N ATOM 2193 CA VAL A 149 7.688 9.607 -0.712 1.00 0.00 C ATOM 2194 C VAL A 149 8.265 8.425 0.060 1.00 0.00 C ATOM 2195 O VAL A 149 7.687 7.975 1.049 1.00 0.00 O ATOM 2196 CB VAL A 149 8.368 10.905 -0.238 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.102 12.037 -1.220 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.895 11.277 1.160 1.00 0.00 C ATOM 0 H VAL A 149 5.917 9.651 0.412 1.00 0.00 H new ATOM 0 HA VAL A 149 7.888 9.474 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 149 9.444 10.736 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.590 12.946 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.497 11.769 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.028 12.208 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.386 12.197 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.815 11.427 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 149 8.144 10.474 1.854 1.00 0.00 H new ATOM 2208 N GLU A 150 9.406 7.921 -0.404 1.00 0.00 N ATOM 2209 CA GLU A 150 10.056 6.786 0.242 1.00 0.00 C ATOM 2210 C GLU A 150 11.476 7.137 0.676 1.00 0.00 C ATOM 2211 O GLU A 150 12.208 7.816 -0.044 1.00 0.00 O ATOM 2212 CB GLU A 150 10.086 5.583 -0.704 1.00 0.00 C ATOM 2213 CG GLU A 150 10.397 4.268 -0.007 1.00 0.00 C ATOM 2214 CD GLU A 150 10.117 3.064 -0.883 1.00 0.00 C ATOM 2215 OE1 GLU A 150 9.213 3.150 -1.739 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.803 2.034 -0.713 1.00 0.00 O ATOM 0 H GLU A 150 9.898 8.280 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 150 9.478 6.532 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.121 5.500 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.832 5.759 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.445 4.259 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.804 4.195 0.905 1.00 0.00 H new ATOM 2223 N TRP A 151 11.856 6.664 1.860 1.00 0.00 N ATOM 2224 CA TRP A 151 13.185 6.920 2.402 1.00 0.00 C ATOM 2225 C TRP A 151 13.853 5.619 2.836 1.00 0.00 C ATOM 2226 O TRP A 151 13.356 4.919 3.720 1.00 0.00 O ATOM 2227 CB TRP A 151 13.098 7.884 3.586 1.00 0.00 C ATOM 2228 CG TRP A 151 14.396 8.564 3.903 1.00 0.00 C ATOM 2229 CD1 TRP A 151 15.647 8.022 3.822 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.571 9.912 4.352 1.00 0.00 C ATOM 2231 NE1 TRP A 151 16.587 8.952 4.192 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.953 10.119 4.523 1.00 0.00 C ATOM 2233 CE3 TRP A 151 13.693 10.966 4.626 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 16.475 11.337 4.954 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 14.214 12.172 5.055 1.00 0.00 C ATOM 2236 CH2 TRP A 151 15.594 12.349 5.214 1.00 0.00 C ATOM 0 H TRP A 151 11.259 6.099 2.464 1.00 0.00 H new ATOM 0 HA TRP A 151 13.791 7.374 1.618 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.343 8.641 3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.760 7.336 4.466 1.00 0.00 H new ATOM 0 HD1 TRP A 151 15.865 7.011 3.512 1.00 0.00 H new ATOM 0 HE1 TRP A 151 17.595 8.798 4.216 1.00 0.00 H new ATOM 0 HE3 TRP A 151 12.627 10.840 4.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.539 11.476 5.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 13.545 12.992 5.271 1.00 0.00 H new ATOM 0 HH2 TRP A 151 15.970 13.305 5.549 1.00 0.00 H new ATOM 2247 N ALA A 152 14.982 5.299 2.211 1.00 0.00 N ATOM 2248 CA ALA A 152 15.718 4.082 2.532 1.00 0.00 C ATOM 2249 C ALA A 152 16.603 4.279 3.759 1.00 0.00 C ATOM 2250 O ALA A 152 17.265 5.307 3.900 1.00 0.00 O ATOM 2251 CB ALA A 152 16.555 3.641 1.341 1.00 0.00 C ATOM 0 H ALA A 152 15.407 5.867 1.478 1.00 0.00 H new ATOM 0 HA ALA A 152 14.993 3.301 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.099 2.731 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.903 3.448 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.264 4.428 1.083 1.00 0.00 H new ATOM 2257 N VAL A 153 16.609 3.287 4.644 1.00 0.00 N ATOM 2258 CA VAL A 153 17.415 3.350 5.857 1.00 0.00 C ATOM 2259 C VAL A 153 18.614 2.409 5.764 1.00 0.00 C ATOM 2260 O VAL A 153 19.756 2.854 5.655 1.00 0.00 O ATOM 2261 CB VAL A 153 16.579 2.996 7.105 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.454 2.941 8.350 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.447 3.997 7.289 1.00 0.00 C ATOM 0 H VAL A 153 16.065 2.430 4.543 1.00 0.00 H new ATOM 0 HA VAL A 153 17.772 4.375 5.954 1.00 0.00 H new ATOM 0 HB VAL A 153 16.146 2.007 6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.840 2.690 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 153 18.225 2.182 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.923 3.912 8.508 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.868 3.732 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.862 4.997 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.799 3.979 6.412 1.00 0.00 H new ATOM 2323 N ILE A 157 15.171 -2.312 3.261 1.00 0.00 N ATOM 2324 CA ILE A 157 13.985 -1.841 3.965 1.00 0.00 C ATOM 2325 C ILE A 157 13.928 -0.318 3.995 1.00 0.00 C ATOM 2326 O ILE A 157 14.896 0.342 4.375 1.00 0.00 O ATOM 2327 CB ILE A 157 13.940 -2.374 5.410 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.188 -3.884 5.427 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.604 -2.042 6.057 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.158 -4.486 6.816 1.00 0.00 C ATOM 0 HA ILE A 157 13.123 -2.222 3.418 1.00 0.00 H new ATOM 0 HB ILE A 157 14.729 -1.889 5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.435 -4.375 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.156 -4.090 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.589 -2.425 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.466 -0.961 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.798 -2.502 5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.341 -5.559 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 157 14.930 -4.022 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.181 -4.311 7.267 1.00 0.00 H new ATOM 2342 N ALA A 158 12.790 0.235 3.590 1.00 0.00 N ATOM 2343 CA ALA A 158 12.607 1.680 3.569 1.00 0.00 C ATOM 2344 C ALA A 158 11.209 2.070 4.035 1.00 0.00 C ATOM 2345 O ALA A 158 10.268 1.279 3.944 1.00 0.00 O ATOM 2346 CB ALA A 158 12.867 2.221 2.172 1.00 0.00 C ATOM 0 H ALA A 158 11.980 -0.297 3.272 1.00 0.00 H new ATOM 0 HA ALA A 158 13.325 2.120 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.727 3.302 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.889 1.986 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.171 1.763 1.469 1.00 0.00 H new ATOM 2352 N THR A 159 11.079 3.296 4.530 1.00 0.00 N ATOM 2353 CA THR A 159 9.797 3.804 5.004 1.00 0.00 C ATOM 2354 C THR A 159 9.186 4.744 3.971 1.00 0.00 C ATOM 2355 O THR A 159 9.905 5.460 3.274 1.00 0.00 O ATOM 2356 CB THR A 159 9.975 4.532 6.337 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.742 5.072 6.781 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.975 5.666 6.271 1.00 0.00 C ATOM 0 H THR A 159 11.850 3.959 4.614 1.00 0.00 H new ATOM 0 HA THR A 159 9.123 2.960 5.152 1.00 0.00 H new ATOM 0 HB THR A 159 10.350 3.779 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 159 8.875 5.532 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 159 11.053 6.140 7.250 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.949 5.275 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.644 6.401 5.538 1.00 0.00 H new ATOM 2366 N ARG A 160 7.862 4.734 3.867 1.00 0.00 N ATOM 2367 CA ARG A 160 7.177 5.586 2.903 1.00 0.00 C ATOM 2368 C ARG A 160 5.938 6.241 3.505 1.00 0.00 C ATOM 2369 O ARG A 160 5.174 5.606 4.237 1.00 0.00 O ATOM 2370 CB ARG A 160 6.789 4.779 1.661 1.00 0.00 C ATOM 2371 CG ARG A 160 6.274 3.381 1.972 1.00 0.00 C ATOM 2372 CD ARG A 160 4.856 3.173 1.458 1.00 0.00 C ATOM 2373 NE ARG A 160 3.855 3.611 2.428 1.00 0.00 N ATOM 2374 CZ ARG A 160 3.233 4.789 2.384 1.00 0.00 C ATOM 2375 NH1 ARG A 160 3.483 5.650 1.405 1.00 0.00 N ATOM 2376 NH2 ARG A 160 2.350 5.102 3.324 1.00 0.00 N ATOM 0 H ARG A 160 7.246 4.151 4.433 1.00 0.00 H new ATOM 0 HA ARG A 160 7.869 6.379 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.023 5.324 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.656 4.699 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.936 2.641 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.298 3.216 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.723 3.723 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.704 2.118 1.230 1.00 0.00 H new ATOM 0 HE ARG A 160 3.617 2.974 3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.157 5.413 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.001 6.549 1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.150 4.442 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.871 6.002 3.295 1.00 0.00 H new ATOM 2390 N LEU A 161 5.742 7.515 3.174 1.00 0.00 N ATOM 2391 CA LEU A 161 4.593 8.274 3.654 1.00 0.00 C ATOM 2392 C LEU A 161 3.708 8.670 2.476 1.00 0.00 C ATOM 2393 O LEU A 161 4.198 9.189 1.469 1.00 0.00 O ATOM 2394 CB LEU A 161 5.051 9.521 4.417 1.00 0.00 C ATOM 2395 CG LEU A 161 4.302 9.795 5.725 1.00 0.00 C ATOM 2396 CD1 LEU A 161 5.092 10.755 6.605 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.911 10.349 5.439 1.00 0.00 C ATOM 0 H LEU A 161 6.370 8.046 2.570 1.00 0.00 H new ATOM 0 HA LEU A 161 4.019 7.648 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 161 6.114 9.422 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.941 10.388 3.765 1.00 0.00 H new ATOM 0 HG LEU A 161 4.192 8.852 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.543 10.937 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 161 6.063 10.318 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.236 11.698 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.394 10.538 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.998 11.281 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.345 9.626 4.852 1.00 0.00 H new ATOM 2409 N GLU A 162 2.408 8.409 2.599 1.00 0.00 N ATOM 2410 CA GLU A 162 1.465 8.727 1.533 1.00 0.00 C ATOM 2411 C GLU A 162 0.558 9.893 1.914 1.00 0.00 C ATOM 2412 O GLU A 162 0.136 10.020 3.064 1.00 0.00 O ATOM 2413 CB GLU A 162 0.614 7.500 1.193 1.00 0.00 C ATOM 2414 CG GLU A 162 0.483 7.246 -0.300 1.00 0.00 C ATOM 2415 CD GLU A 162 0.877 5.834 -0.691 1.00 0.00 C ATOM 2416 OE1 GLU A 162 0.055 4.915 -0.498 1.00 0.00 O ATOM 2417 OE2 GLU A 162 2.007 5.651 -1.190 1.00 0.00 O ATOM 0 H GLU A 162 1.987 7.980 3.423 1.00 0.00 H new ATOM 0 HA GLU A 162 2.045 9.021 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.053 6.621 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.381 7.628 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -0.547 7.429 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 162 1.108 7.956 -0.841 1.00 0.00 H new ATOM 2424 N TYR A 163 0.259 10.735 0.927 1.00 0.00 N ATOM 2425 CA TYR A 163 -0.603 11.891 1.133 1.00 0.00 C ATOM 2426 C TYR A 163 -1.634 11.992 0.011 1.00 0.00 C ATOM 2427 O TYR A 163 -1.287 11.914 -1.169 1.00 0.00 O ATOM 2428 CB TYR A 163 0.234 13.171 1.193 1.00 0.00 C ATOM 2429 CG TYR A 163 -0.236 14.158 2.239 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -1.586 14.457 2.385 1.00 0.00 C ATOM 2431 CD2 TYR A 163 0.671 14.792 3.079 1.00 0.00 C ATOM 2432 CE1 TYR A 163 -2.017 15.358 3.339 1.00 0.00 C ATOM 2433 CE2 TYR A 163 0.246 15.695 4.035 1.00 0.00 C ATOM 2434 CZ TYR A 163 -1.098 15.975 4.161 1.00 0.00 C ATOM 2435 OH TYR A 163 -1.523 16.873 5.113 1.00 0.00 O ATOM 0 H TYR A 163 0.604 10.635 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.128 11.768 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 163 1.272 12.907 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.214 13.654 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -2.309 13.977 1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 163 1.725 14.576 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -3.069 15.578 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 163 0.964 16.179 4.681 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.424 16.631 5.412 1.00 0.00 H new ATOM 2445 N GLN A 164 -2.897 12.158 0.383 1.00 0.00 N ATOM 2446 CA GLN A 164 -3.973 12.263 -0.598 1.00 0.00 C ATOM 2447 C GLN A 164 -4.341 13.720 -0.856 1.00 0.00 C ATOM 2448 O GLN A 164 -3.922 14.308 -1.855 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.203 11.487 -0.121 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.224 10.039 -0.583 1.00 0.00 C ATOM 2451 CD GLN A 164 -4.516 9.109 0.384 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -3.584 9.511 1.080 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -4.957 7.856 0.429 1.00 0.00 N ATOM 0 H GLN A 164 -3.202 12.223 1.354 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.619 11.830 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.239 11.513 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.101 11.988 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.258 9.714 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -4.752 9.967 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -5.733 7.567 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -4.519 7.184 1.059 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.299 11.307 5.544 1.00 0.00 N ATOM 2725 CA LEU A 184 -1.889 10.939 5.619 1.00 0.00 C ATOM 2726 C LEU A 184 -1.728 9.537 6.196 1.00 0.00 C ATOM 2727 O LEU A 184 -2.284 9.221 7.248 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.123 11.950 6.476 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.505 13.414 6.246 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -2.759 13.770 7.031 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.354 14.331 6.633 1.00 0.00 C ATOM 0 HA LEU A 184 -1.479 10.947 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.284 11.709 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.057 11.834 6.282 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.715 13.552 5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.014 14.815 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.584 13.135 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.578 13.615 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.642 15.368 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.114 14.189 7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.520 14.094 6.027 1.00 0.00 H new ATOM 2743 N SER A 185 -0.966 8.698 5.502 1.00 0.00 N ATOM 2744 CA SER A 185 -0.740 7.326 5.950 1.00 0.00 C ATOM 2745 C SER A 185 0.751 7.022 6.058 1.00 0.00 C ATOM 2746 O SER A 185 1.566 7.590 5.330 1.00 0.00 O ATOM 2747 CB SER A 185 -1.405 6.339 4.989 1.00 0.00 C ATOM 2748 OG SER A 185 -2.799 6.578 4.894 1.00 0.00 O ATOM 0 H SER A 185 -0.496 8.941 4.630 1.00 0.00 H new ATOM 0 HA SER A 185 -1.184 7.218 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 185 -0.950 6.425 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.231 5.319 5.332 1.00 0.00 H new ATOM 0 HG SER A 185 -3.200 5.935 4.272 1.00 0.00 H new ATOM 2754 N LEU A 186 1.099 6.112 6.966 1.00 0.00 N ATOM 2755 CA LEU A 186 2.493 5.725 7.166 1.00 0.00 C ATOM 2756 C LEU A 186 2.667 4.227 6.939 1.00 0.00 C ATOM 2757 O LEU A 186 1.940 3.417 7.514 1.00 0.00 O ATOM 2758 CB LEU A 186 2.966 6.093 8.580 1.00 0.00 C ATOM 2759 CG LEU A 186 2.196 7.230 9.260 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.141 6.668 10.200 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.151 8.146 10.016 1.00 0.00 C ATOM 0 H LEU A 186 0.436 5.630 7.573 1.00 0.00 H new ATOM 0 HA LEU A 186 3.100 6.269 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.898 5.205 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.019 6.370 8.531 1.00 0.00 H new ATOM 0 HG LEU A 186 1.696 7.817 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.603 7.488 10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.440 6.054 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.623 6.059 10.965 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.586 8.947 10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.679 7.572 10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.872 8.575 9.320 1.00 0.00 H new ATOM 2773 N GLY A 187 3.630 3.860 6.097 1.00 0.00 N ATOM 2774 CA GLY A 187 3.862 2.456 5.819 1.00 0.00 C ATOM 2775 C GLY A 187 5.324 2.132 5.588 1.00 0.00 C ATOM 2776 O GLY A 187 6.147 3.028 5.405 1.00 0.00 O ATOM 0 H GLY A 187 4.249 4.506 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.491 1.860 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.288 2.166 4.939 1.00 0.00 H new ATOM 2780 N VAL A 188 5.642 0.841 5.590 1.00 0.00 N ATOM 2781 CA VAL A 188 7.010 0.388 5.370 1.00 0.00 C ATOM 2782 C VAL A 188 7.051 -0.689 4.294 1.00 0.00 C ATOM 2783 O VAL A 188 6.203 -1.581 4.266 1.00 0.00 O ATOM 2784 CB VAL A 188 7.652 -0.161 6.664 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.179 0.978 7.522 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.659 -1.010 7.446 1.00 0.00 C ATOM 0 H VAL A 188 4.969 0.090 5.742 1.00 0.00 H new ATOM 0 HA VAL A 188 7.583 1.256 5.045 1.00 0.00 H new ATOM 0 HB VAL A 188 8.491 -0.798 6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.628 0.573 8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 188 8.930 1.536 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.357 1.642 7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.135 -1.385 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 188 5.794 -0.404 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.336 -1.851 6.832 1.00 0.00 H new ATOM 2796 N SER A 189 8.033 -0.599 3.401 1.00 0.00 N ATOM 2797 CA SER A 189 8.163 -1.569 2.320 1.00 0.00 C ATOM 2798 C SER A 189 9.621 -1.935 2.077 1.00 0.00 C ATOM 2799 O SER A 189 10.527 -1.367 2.688 1.00 0.00 O ATOM 2800 CB SER A 189 7.547 -1.012 1.035 1.00 0.00 C ATOM 2801 OG SER A 189 8.212 0.169 0.621 1.00 0.00 O ATOM 0 H SER A 189 8.745 0.131 3.405 1.00 0.00 H new ATOM 0 HA SER A 189 7.630 -2.472 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.605 -1.761 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.490 -0.800 1.197 1.00 0.00 H new ATOM 0 HG SER A 189 7.801 0.504 -0.203 1.00 0.00 H new ATOM 2807 N TYR A 190 9.839 -2.890 1.179 1.00 0.00 N ATOM 2808 CA TYR A 190 11.184 -3.340 0.848 1.00 0.00 C ATOM 2809 C TYR A 190 11.307 -3.628 -0.644 1.00 0.00 C ATOM 2810 O TYR A 190 10.306 -3.835 -1.330 1.00 0.00 O ATOM 2811 CB TYR A 190 11.540 -4.590 1.653 1.00 0.00 C ATOM 2812 CG TYR A 190 10.442 -5.629 1.675 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.088 -6.318 0.523 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.758 -5.921 2.851 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.083 -7.268 0.539 1.00 0.00 C ATOM 2816 CE2 TYR A 190 8.754 -6.869 2.874 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.420 -7.539 1.716 1.00 0.00 C ATOM 2818 OH TYR A 190 7.419 -8.482 1.736 1.00 0.00 O ATOM 0 H TYR A 190 9.098 -3.368 0.666 1.00 0.00 H new ATOM 0 HA TYR A 190 11.881 -2.543 1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.443 -5.036 1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.773 -4.298 2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 190 10.606 -6.109 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 190 10.016 -5.398 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 190 8.819 -7.795 -0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.233 -7.085 3.795 1.00 0.00 H new ATOM 0 HH TYR A 190 7.055 -8.553 2.643 1.00 0.00 H new ATOM 2828 N ARG A 191 12.539 -3.641 -1.140 1.00 0.00 N ATOM 2829 CA ARG A 191 12.792 -3.905 -2.553 1.00 0.00 C ATOM 2830 C ARG A 191 13.316 -5.323 -2.755 1.00 0.00 C ATOM 2831 O ARG A 191 13.892 -5.919 -1.844 1.00 0.00 O ATOM 2832 CB ARG A 191 13.794 -2.893 -3.110 1.00 0.00 C ATOM 2833 CG ARG A 191 13.593 -2.589 -4.587 1.00 0.00 C ATOM 2834 CD ARG A 191 14.890 -2.152 -5.248 1.00 0.00 C ATOM 2835 NE ARG A 191 15.037 -2.714 -6.589 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.197 -2.792 -7.237 1.00 0.00 C ATOM 2837 NH1 ARG A 191 17.313 -2.344 -6.672 1.00 0.00 N ATOM 2838 NH2 ARG A 191 16.243 -3.318 -8.454 1.00 0.00 N ATOM 0 H ARG A 191 13.378 -3.472 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 191 11.849 -3.806 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.715 -1.966 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 191 14.804 -3.274 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 191 13.206 -3.474 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 191 12.844 -1.805 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 191 14.919 -1.064 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.734 -2.461 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 191 14.202 -3.067 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.284 -1.938 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 191 18.199 -2.406 -7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 191 15.389 -3.663 -8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 191 17.132 -3.378 -8.951 1.00 0.00 H new