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 17:sc= 0.39 USER MOD Single : A 20 TYR OH : rot -108:sc=0.000308 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc=-0.00892 (180deg=-0.127) 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) 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) USER MOD Single : A 95 GLN : amide:sc= -2.05 K(o=-2,f=-5.1!) USER MOD Single : A 97 THR OG1 : rot -90:sc= -2.85 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 1.98 (180deg=1.95) 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 -140:sc= -0.849 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 5:sc= 0.607 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= -0.0703 K(o=-0.07,f=-0.65) USER MOD Single : A 185 SER OG : rot 180:sc= -0.732 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 12.732 -3.974 -11.660 1.00 0.00 N ATOM 276 CA THR A 18 12.722 -3.584 -10.256 1.00 0.00 C ATOM 277 C THR A 18 11.396 -3.950 -9.599 1.00 0.00 C ATOM 278 O THR A 18 10.327 -3.680 -10.146 1.00 0.00 O ATOM 279 CB THR A 18 12.977 -2.083 -10.119 1.00 0.00 C ATOM 280 OG1 THR A 18 13.981 -1.660 -11.024 1.00 0.00 O ATOM 281 CG2 THR A 18 13.411 -1.673 -8.729 1.00 0.00 C ATOM 0 HA THR A 18 13.519 -4.127 -9.749 1.00 0.00 H new ATOM 0 HB THR A 18 12.021 -1.608 -10.338 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.100 -2.338 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.575 -0.596 -8.702 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.635 -1.940 -8.012 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.337 -2.187 -8.470 1.00 0.00 H new ATOM 289 N TRP A 19 11.471 -4.567 -8.424 1.00 0.00 N ATOM 290 CA TRP A 19 10.276 -4.969 -7.694 1.00 0.00 C ATOM 291 C TRP A 19 10.394 -4.622 -6.214 1.00 0.00 C ATOM 292 O TRP A 19 11.489 -4.630 -5.650 1.00 0.00 O ATOM 293 CB TRP A 19 10.034 -6.471 -7.859 1.00 0.00 C ATOM 294 CG TRP A 19 10.162 -6.944 -9.274 1.00 0.00 C ATOM 295 CD1 TRP A 19 9.284 -6.720 -10.296 1.00 0.00 C ATOM 296 CD2 TRP A 19 11.231 -7.721 -9.826 1.00 0.00 C ATOM 297 NE1 TRP A 19 9.742 -7.311 -11.448 1.00 0.00 N ATOM 298 CE2 TRP A 19 10.936 -7.932 -11.186 1.00 0.00 C ATOM 299 CE3 TRP A 19 12.410 -8.259 -9.302 1.00 0.00 C ATOM 300 CZ2 TRP A 19 11.776 -8.656 -12.027 1.00 0.00 C ATOM 301 CZ3 TRP A 19 13.242 -8.979 -10.138 1.00 0.00 C ATOM 302 CH2 TRP A 19 12.922 -9.171 -11.487 1.00 0.00 C ATOM 0 H TRP A 19 12.348 -4.799 -7.958 1.00 0.00 H new ATOM 0 HA TRP A 19 9.429 -4.422 -8.108 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.744 -7.016 -7.236 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.037 -6.713 -7.492 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.364 -6.160 -10.211 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.270 -7.291 -12.352 1.00 0.00 H new ATOM 0 HE3 TRP A 19 12.666 -8.115 -8.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 11.532 -8.806 -13.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.155 -9.401 -9.744 1.00 0.00 H new ATOM 0 HH2 TRP A 19 13.594 -9.738 -12.114 1.00 0.00 H new ATOM 313 N TYR A 20 9.261 -4.319 -5.590 1.00 0.00 N ATOM 314 CA TYR A 20 9.236 -3.970 -4.175 1.00 0.00 C ATOM 315 C TYR A 20 7.836 -4.150 -3.597 1.00 0.00 C ATOM 316 O TYR A 20 6.839 -3.982 -4.300 1.00 0.00 O ATOM 317 CB TYR A 20 9.703 -2.528 -3.973 1.00 0.00 C ATOM 318 CG TYR A 20 9.042 -1.539 -4.907 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.423 -1.451 -6.240 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.037 -0.693 -4.455 1.00 0.00 C ATOM 321 CE1 TYR A 20 8.822 -0.549 -7.096 1.00 0.00 C ATOM 322 CE2 TYR A 20 7.431 0.212 -5.306 1.00 0.00 C ATOM 323 CZ TYR A 20 7.826 0.280 -6.625 1.00 0.00 C ATOM 324 OH TYR A 20 7.225 1.179 -7.475 1.00 0.00 O ATOM 0 H TYR A 20 8.347 -4.308 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 20 9.917 -4.640 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.503 -2.231 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.783 -2.482 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.202 -2.099 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.724 -0.743 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.131 -0.493 -8.129 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.651 0.863 -4.939 1.00 0.00 H new ATOM 0 HH TYR A 20 7.521 2.087 -7.254 1.00 0.00 H new ATOM 334 N ALA A 21 7.767 -4.493 -2.314 1.00 0.00 N ATOM 335 CA ALA A 21 6.487 -4.696 -1.647 1.00 0.00 C ATOM 336 C ALA A 21 6.512 -4.141 -0.226 1.00 0.00 C ATOM 337 O ALA A 21 7.570 -4.051 0.396 1.00 0.00 O ATOM 338 CB ALA A 21 6.130 -6.175 -1.631 1.00 0.00 C ATOM 0 H ALA A 21 8.582 -4.636 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 21 5.725 -4.154 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.172 -6.313 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.061 -6.544 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.902 -6.730 -1.097 1.00 0.00 H new ATOM 344 N GLY A 22 5.340 -3.772 0.278 1.00 0.00 N ATOM 345 CA GLY A 22 5.249 -3.231 1.622 1.00 0.00 C ATOM 346 C GLY A 22 3.815 -3.011 2.062 1.00 0.00 C ATOM 347 O GLY A 22 2.878 -3.428 1.381 1.00 0.00 O ATOM 0 H GLY A 22 4.452 -3.838 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.739 -3.911 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.789 -2.285 1.667 1.00 0.00 H new ATOM 351 N GLY A 23 3.643 -2.352 3.203 1.00 0.00 N ATOM 352 CA GLY A 23 2.310 -2.088 3.714 1.00 0.00 C ATOM 353 C GLY A 23 2.209 -0.737 4.392 1.00 0.00 C ATOM 354 O GLY A 23 3.174 -0.262 4.993 1.00 0.00 O ATOM 0 H GLY A 23 4.403 -1.996 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.594 -2.134 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.034 -2.869 4.423 1.00 0.00 H new ATOM 358 N LYS A 24 1.036 -0.115 4.297 1.00 0.00 N ATOM 359 CA LYS A 24 0.815 1.191 4.907 1.00 0.00 C ATOM 360 C LYS A 24 -0.517 1.230 5.651 1.00 0.00 C ATOM 361 O LYS A 24 -1.487 0.588 5.246 1.00 0.00 O ATOM 362 CB LYS A 24 0.847 2.289 3.841 1.00 0.00 C ATOM 363 CG LYS A 24 -0.046 2.001 2.644 1.00 0.00 C ATOM 364 CD LYS A 24 -1.407 2.659 2.794 1.00 0.00 C ATOM 365 CE LYS A 24 -2.236 2.521 1.527 1.00 0.00 C ATOM 366 NZ LYS A 24 -2.439 1.095 1.150 1.00 0.00 N ATOM 0 H LYS A 24 0.227 -0.494 3.805 1.00 0.00 H new ATOM 0 HA LYS A 24 1.616 1.366 5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.541 3.232 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.873 2.419 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.435 2.361 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.172 0.924 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.941 2.207 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.277 3.715 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.204 3.000 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.741 3.046 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.118 1.037 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.531 0.681 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.810 0.569 1.967 1.00 0.00 H new ATOM 380 N LEU A 25 -0.555 1.993 6.740 1.00 0.00 N ATOM 381 CA LEU A 25 -1.765 2.122 7.543 1.00 0.00 C ATOM 382 C LEU A 25 -2.203 3.582 7.626 1.00 0.00 C ATOM 383 O LEU A 25 -1.371 4.490 7.642 1.00 0.00 O ATOM 384 CB LEU A 25 -1.534 1.567 8.952 1.00 0.00 C ATOM 385 CG LEU A 25 -2.809 1.244 9.738 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.688 -0.108 10.426 1.00 0.00 C ATOM 387 CD2 LEU A 25 -3.099 2.336 10.757 1.00 0.00 C ATOM 0 H LEU A 25 0.239 2.531 7.086 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.555 1.546 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.933 0.661 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.949 2.290 9.520 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.641 1.198 9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.604 -0.318 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.529 -0.884 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.844 -0.091 11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.008 2.090 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.264 2.414 11.454 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.233 3.288 10.242 1.00 0.00 H new ATOM 399 N GLY A 26 -3.513 3.798 7.678 1.00 0.00 N ATOM 400 CA GLY A 26 -4.038 5.148 7.756 1.00 0.00 C ATOM 401 C GLY A 26 -5.420 5.198 8.380 1.00 0.00 C ATOM 402 O GLY A 26 -6.011 4.161 8.681 1.00 0.00 O ATOM 0 H GLY A 26 -4.220 3.063 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.356 5.766 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.079 5.577 6.755 1.00 0.00 H new ATOM 799 N GLY A 53 -7.542 1.631 9.055 1.00 0.00 N ATOM 800 CA GLY A 53 -7.442 0.654 7.986 1.00 0.00 C ATOM 801 C GLY A 53 -6.013 0.443 7.527 1.00 0.00 C ATOM 802 O GLY A 53 -5.226 1.388 7.476 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.855 -0.296 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.048 0.981 7.141 1.00 0.00 H new ATOM 806 N ALA A 54 -5.677 -0.799 7.192 1.00 0.00 N ATOM 807 CA ALA A 54 -4.332 -1.128 6.735 1.00 0.00 C ATOM 808 C ALA A 54 -4.375 -1.824 5.381 1.00 0.00 C ATOM 809 O ALA A 54 -5.327 -2.542 5.074 1.00 0.00 O ATOM 810 CB ALA A 54 -3.626 -2.001 7.759 1.00 0.00 C ATOM 0 H ALA A 54 -6.317 -1.593 7.228 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.772 -0.200 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.623 -2.239 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.559 -1.468 8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.189 -2.924 7.901 1.00 0.00 H new ATOM 816 N GLY A 55 -3.342 -1.611 4.574 1.00 0.00 N ATOM 817 CA GLY A 55 -3.296 -2.231 3.266 1.00 0.00 C ATOM 818 C GLY A 55 -1.883 -2.508 2.793 1.00 0.00 C ATOM 819 O GLY A 55 -0.956 -1.766 3.113 1.00 0.00 O ATOM 0 H GLY A 55 -2.540 -1.023 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.854 -3.167 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.795 -1.583 2.545 1.00 0.00 H new ATOM 823 N ALA A 56 -1.724 -3.581 2.024 1.00 0.00 N ATOM 824 CA ALA A 56 -0.418 -3.958 1.497 1.00 0.00 C ATOM 825 C ALA A 56 -0.326 -3.638 0.008 1.00 0.00 C ATOM 826 O ALA A 56 -1.199 -4.019 -0.770 1.00 0.00 O ATOM 827 CB ALA A 56 -0.157 -5.437 1.740 1.00 0.00 C ATOM 0 H ALA A 56 -2.484 -4.205 1.752 1.00 0.00 H new ATOM 0 HA ALA A 56 0.344 -3.380 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.822 -5.704 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.180 -5.639 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.925 -6.029 1.242 1.00 0.00 H new ATOM 833 N PHE A 57 0.732 -2.933 -0.381 1.00 0.00 N ATOM 834 CA PHE A 57 0.924 -2.559 -1.777 1.00 0.00 C ATOM 835 C PHE A 57 2.230 -3.123 -2.330 1.00 0.00 C ATOM 836 O PHE A 57 3.236 -3.195 -1.626 1.00 0.00 O ATOM 837 CB PHE A 57 0.913 -1.037 -1.923 1.00 0.00 C ATOM 838 CG PHE A 57 1.995 -0.351 -1.138 1.00 0.00 C ATOM 839 CD1 PHE A 57 1.884 -0.202 0.235 1.00 0.00 C ATOM 840 CD2 PHE A 57 3.123 0.143 -1.773 1.00 0.00 C ATOM 841 CE1 PHE A 57 2.877 0.429 0.959 1.00 0.00 C ATOM 842 CE2 PHE A 57 4.120 0.775 -1.053 1.00 0.00 C ATOM 843 CZ PHE A 57 3.997 0.917 0.315 1.00 0.00 C ATOM 0 H PHE A 57 1.467 -2.610 0.249 1.00 0.00 H new ATOM 0 HA PHE A 57 0.100 -2.983 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.022 -0.780 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.056 -0.656 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.012 -0.583 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.225 0.033 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.777 0.541 2.029 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.994 1.157 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.775 1.409 0.880 1.00 0.00 H new ATOM 853 N GLY A 58 2.201 -3.514 -3.600 1.00 0.00 N ATOM 854 CA GLY A 58 3.384 -4.059 -4.241 1.00 0.00 C ATOM 855 C GLY A 58 3.696 -3.359 -5.549 1.00 0.00 C ATOM 856 O GLY A 58 2.843 -3.277 -6.433 1.00 0.00 O ATOM 0 H GLY A 58 1.377 -3.463 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.236 -3.966 -3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.238 -5.123 -4.425 1.00 0.00 H new ATOM 860 N GLY A 59 4.914 -2.843 -5.672 1.00 0.00 N ATOM 861 CA GLY A 59 5.302 -2.145 -6.882 1.00 0.00 C ATOM 862 C GLY A 59 6.133 -3.000 -7.818 1.00 0.00 C ATOM 863 O GLY A 59 7.006 -3.749 -7.379 1.00 0.00 O ATOM 0 H GLY A 59 5.638 -2.896 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.406 -1.809 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.868 -1.253 -6.615 1.00 0.00 H new ATOM 867 N TYR A 60 5.862 -2.880 -9.114 1.00 0.00 N ATOM 868 CA TYR A 60 6.589 -3.639 -10.125 1.00 0.00 C ATOM 869 C TYR A 60 6.971 -2.741 -11.299 1.00 0.00 C ATOM 870 O TYR A 60 6.104 -2.247 -12.021 1.00 0.00 O ATOM 871 CB TYR A 60 5.744 -4.815 -10.618 1.00 0.00 C ATOM 872 CG TYR A 60 5.249 -5.714 -9.507 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.166 -5.344 -8.721 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.866 -6.931 -9.245 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.710 -6.162 -7.704 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.416 -7.754 -8.230 1.00 0.00 C ATOM 877 CZ TYR A 60 4.337 -7.366 -7.462 1.00 0.00 C ATOM 878 OH TYR A 60 3.887 -8.184 -6.451 1.00 0.00 O ATOM 0 H TYR A 60 5.142 -2.262 -9.489 1.00 0.00 H new ATOM 0 HA TYR A 60 7.501 -4.026 -9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.887 -4.429 -11.171 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.334 -5.407 -11.317 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.672 -4.402 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.710 -7.239 -9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.866 -5.859 -7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.907 -8.697 -8.039 1.00 0.00 H new ATOM 0 HH TYR A 60 4.438 -8.993 -6.415 1.00 0.00 H new ATOM 888 N GLN A 61 8.271 -2.528 -11.481 1.00 0.00 N ATOM 889 CA GLN A 61 8.762 -1.682 -12.563 1.00 0.00 C ATOM 890 C GLN A 61 8.869 -2.462 -13.870 1.00 0.00 C ATOM 891 O GLN A 61 9.502 -3.518 -13.926 1.00 0.00 O ATOM 892 CB GLN A 61 10.124 -1.089 -12.195 1.00 0.00 C ATOM 893 CG GLN A 61 10.274 0.373 -12.577 1.00 0.00 C ATOM 894 CD GLN A 61 11.674 0.710 -13.053 1.00 0.00 C ATOM 895 OE1 GLN A 61 12.504 1.193 -12.282 1.00 0.00 O ATOM 896 NE2 GLN A 61 11.942 0.458 -14.329 1.00 0.00 N ATOM 0 H GLN A 61 9.002 -2.929 -10.894 1.00 0.00 H new ATOM 0 HA GLN A 61 8.046 -0.873 -12.707 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.278 -1.193 -11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.907 -1.666 -12.686 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.559 0.615 -13.363 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.026 0.997 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.223 0.057 -14.932 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.867 0.665 -14.706 1.00 0.00 H new ATOM 970 N LEU A 66 7.429 3.981 -14.805 1.00 0.00 N ATOM 971 CA LEU A 66 6.127 3.776 -14.183 1.00 0.00 C ATOM 972 C LEU A 66 5.798 2.291 -14.089 1.00 0.00 C ATOM 973 O LEU A 66 5.650 1.612 -15.104 1.00 0.00 O ATOM 974 CB LEU A 66 5.037 4.507 -14.969 1.00 0.00 C ATOM 975 CG LEU A 66 4.735 3.927 -16.353 1.00 0.00 C ATOM 976 CD1 LEU A 66 3.434 3.138 -16.332 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.672 5.034 -17.395 1.00 0.00 C ATOM 0 HA LEU A 66 6.167 4.185 -13.173 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.119 4.499 -14.381 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.332 5.550 -15.086 1.00 0.00 H new ATOM 0 HG LEU A 66 5.543 3.247 -16.623 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.237 2.734 -17.325 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.516 2.319 -15.617 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.615 3.795 -16.039 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.456 4.602 -18.372 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.885 5.740 -17.129 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.629 5.554 -17.431 1.00 0.00 H new ATOM 989 N GLY A 67 5.688 1.794 -12.864 1.00 0.00 N ATOM 990 CA GLY A 67 5.379 0.392 -12.656 1.00 0.00 C ATOM 991 C GLY A 67 3.962 0.176 -12.165 1.00 0.00 C ATOM 992 O GLY A 67 3.225 1.134 -11.931 1.00 0.00 O ATOM 0 H GLY A 67 5.807 2.337 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.523 -0.151 -13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.078 -0.027 -11.933 1.00 0.00 H new ATOM 996 N PHE A 68 3.579 -1.087 -12.008 1.00 0.00 N ATOM 997 CA PHE A 68 2.240 -1.427 -11.540 1.00 0.00 C ATOM 998 C PHE A 68 2.214 -1.539 -10.020 1.00 0.00 C ATOM 999 O PHE A 68 3.168 -2.018 -9.406 1.00 0.00 O ATOM 1000 CB PHE A 68 1.777 -2.743 -12.169 1.00 0.00 C ATOM 1001 CG PHE A 68 1.827 -2.741 -13.670 1.00 0.00 C ATOM 1002 CD1 PHE A 68 3.032 -2.896 -14.336 1.00 0.00 C ATOM 1003 CD2 PHE A 68 0.670 -2.583 -14.415 1.00 0.00 C ATOM 1004 CE1 PHE A 68 3.082 -2.893 -15.717 1.00 0.00 C ATOM 1005 CE2 PHE A 68 0.713 -2.580 -15.796 1.00 0.00 C ATOM 1006 CZ PHE A 68 1.920 -2.736 -16.449 1.00 0.00 C ATOM 0 H PHE A 68 4.177 -1.892 -12.198 1.00 0.00 H new ATOM 0 HA PHE A 68 1.560 -0.631 -11.842 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.400 -3.555 -11.794 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.756 -2.950 -11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.943 -3.021 -13.769 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.277 -2.461 -13.910 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.028 -3.013 -16.224 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.197 -2.456 -16.365 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.956 -2.735 -17.528 1.00 0.00 H new ATOM 1016 N GLU A 69 1.118 -1.091 -9.417 1.00 0.00 N ATOM 1017 CA GLU A 69 0.973 -1.137 -7.968 1.00 0.00 C ATOM 1018 C GLU A 69 -0.266 -1.928 -7.564 1.00 0.00 C ATOM 1019 O GLU A 69 -1.397 -1.494 -7.792 1.00 0.00 O ATOM 1020 CB GLU A 69 0.894 0.280 -7.400 1.00 0.00 C ATOM 1021 CG GLU A 69 1.002 0.334 -5.883 1.00 0.00 C ATOM 1022 CD GLU A 69 2.238 1.078 -5.412 1.00 0.00 C ATOM 1023 OE1 GLU A 69 2.170 2.317 -5.281 1.00 0.00 O ATOM 1024 OE2 GLU A 69 3.272 0.420 -5.173 1.00 0.00 O ATOM 0 H GLU A 69 0.318 -0.692 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 69 1.849 -1.640 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.692 0.882 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.049 0.733 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.114 0.818 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.021 -0.682 -5.487 1.00 0.00 H new ATOM 1031 N MET A 70 -0.042 -3.085 -6.948 1.00 0.00 N ATOM 1032 CA MET A 70 -1.133 -3.936 -6.492 1.00 0.00 C ATOM 1033 C MET A 70 -1.347 -3.747 -4.996 1.00 0.00 C ATOM 1034 O MET A 70 -0.473 -4.065 -4.192 1.00 0.00 O ATOM 1035 CB MET A 70 -0.831 -5.404 -6.800 1.00 0.00 C ATOM 1036 CG MET A 70 -1.141 -5.801 -8.233 1.00 0.00 C ATOM 1037 SD MET A 70 -0.065 -7.115 -8.838 1.00 0.00 S ATOM 1038 CE MET A 70 -1.273 -8.291 -9.443 1.00 0.00 C ATOM 0 H MET A 70 0.889 -3.454 -6.753 1.00 0.00 H new ATOM 0 HA MET A 70 -2.043 -3.652 -7.021 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.222 -5.600 -6.597 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.409 -6.035 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.179 -6.127 -8.299 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.040 -4.928 -8.878 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.760 -9.162 -9.850 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.921 -8.601 -8.623 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.874 -7.826 -10.224 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.506 -3.212 -4.627 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.791 -2.974 -3.225 1.00 0.00 C ATOM 1050 C GLY A 71 -3.854 -3.896 -2.666 1.00 0.00 C ATOM 1051 O GLY A 71 -4.734 -4.360 -3.391 1.00 0.00 O ATOM 0 H GLY A 71 -3.249 -2.940 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.874 -3.097 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.112 -1.940 -3.097 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.774 -4.152 -1.365 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.735 -5.012 -0.685 1.00 0.00 C ATOM 1057 C TYR A 72 -5.259 -4.320 0.567 1.00 0.00 C ATOM 1058 O TYR A 72 -4.503 -4.058 1.500 1.00 0.00 O ATOM 1059 CB TYR A 72 -4.088 -6.348 -0.315 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.030 -7.334 -1.460 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -5.105 -8.168 -1.736 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.902 -7.429 -2.263 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -5.057 -9.072 -2.782 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -2.845 -8.330 -3.311 1.00 0.00 C ATOM 1065 CZ TYR A 72 -3.925 -9.149 -3.565 1.00 0.00 C ATOM 1066 OH TYR A 72 -3.872 -10.047 -4.607 1.00 0.00 O ATOM 0 H TYR A 72 -3.048 -3.773 -0.757 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.569 -5.205 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -3.076 -6.164 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.644 -6.795 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.993 -8.110 -1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.055 -6.789 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.902 -9.714 -2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.960 -8.392 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.006 -9.973 -5.059 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.552 -4.012 0.575 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.170 -3.333 1.709 1.00 0.00 C ATOM 1078 C ASP A 73 -7.694 -4.324 2.745 1.00 0.00 C ATOM 1079 O ASP A 73 -8.518 -5.185 2.435 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.310 -2.431 1.228 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.297 -1.073 1.901 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -7.258 -0.384 1.827 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.325 -0.699 2.503 1.00 0.00 O ATOM 0 H ASP A 73 -7.192 -4.222 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.402 -2.725 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.234 -2.299 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.264 -2.921 1.423 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.214 -4.184 3.977 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.636 -5.053 5.071 1.00 0.00 C ATOM 1090 C TRP A 74 -7.831 -4.247 6.355 1.00 0.00 C ATOM 1091 O TRP A 74 -7.145 -3.251 6.585 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.609 -6.166 5.301 1.00 0.00 C ATOM 1093 CG TRP A 74 -5.194 -5.679 5.324 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -4.414 -5.379 4.245 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -4.387 -5.439 6.482 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -3.171 -4.966 4.661 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -3.131 -4.994 6.031 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.605 -5.556 7.858 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -2.097 -4.666 6.905 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.580 -5.231 8.725 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -2.340 -4.790 8.247 1.00 0.00 C ATOM 0 H TRP A 74 -6.531 -3.475 4.243 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.588 -5.506 4.796 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -6.829 -6.663 6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.714 -6.914 4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -4.728 -5.455 3.214 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -2.404 -4.685 4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.558 -5.895 8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -1.140 -4.327 6.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.738 -5.319 9.790 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.559 -4.543 8.951 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.652 -8.501 1.483 1.00 0.00 N ATOM 1362 CA GLN A 92 -11.252 -8.258 1.159 1.00 0.00 C ATOM 1363 C GLN A 92 -11.123 -7.132 0.140 1.00 0.00 C ATOM 1364 O GLN A 92 -11.870 -7.080 -0.839 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.602 -9.532 0.615 1.00 0.00 C ATOM 1366 CG GLN A 92 -11.295 -10.087 -0.620 1.00 0.00 C ATOM 1367 CD GLN A 92 -12.099 -11.339 -0.323 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -11.539 -12.395 -0.032 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -13.420 -11.226 -0.397 1.00 0.00 N ATOM 0 HA GLN A 92 -10.738 -7.961 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.559 -9.324 0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.603 -10.293 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.955 -9.325 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.548 -10.311 -1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.842 -10.330 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.012 -12.035 -0.209 1.00 0.00 H new ATOM 1378 N GLY A 93 -10.179 -6.228 0.375 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.981 -5.114 -0.533 1.00 0.00 C ATOM 1380 C GLY A 93 -8.876 -5.367 -1.541 1.00 0.00 C ATOM 1381 O GLY A 93 -7.740 -5.655 -1.168 1.00 0.00 O ATOM 0 H GLY A 93 -9.548 -6.246 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.912 -4.914 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.744 -4.219 0.043 1.00 0.00 H new ATOM 1385 N VAL A 94 -9.212 -5.244 -2.821 1.00 0.00 N ATOM 1386 CA VAL A 94 -8.242 -5.446 -3.892 1.00 0.00 C ATOM 1387 C VAL A 94 -8.071 -4.161 -4.696 1.00 0.00 C ATOM 1388 O VAL A 94 -9.026 -3.664 -5.295 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.654 -6.597 -4.841 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.841 -7.849 -4.549 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -10.145 -6.894 -4.731 1.00 0.00 C ATOM 0 H VAL A 94 -10.150 -5.005 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.297 -5.720 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.447 -6.278 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.145 -8.647 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.782 -7.636 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.013 -8.162 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.405 -7.707 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.384 -7.185 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.714 -6.003 -4.997 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.860 -3.616 -4.689 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.579 -2.374 -5.401 1.00 0.00 C ATOM 1403 C GLN A 95 -5.667 -2.603 -6.604 1.00 0.00 C ATOM 1404 O GLN A 95 -4.708 -3.371 -6.538 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.941 -1.357 -4.452 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.698 -0.041 -4.372 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.800 1.126 -4.013 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.534 1.998 -4.840 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.328 1.148 -2.772 1.00 0.00 N ATOM 0 H GLN A 95 -6.058 -4.013 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.528 -1.985 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.879 -1.792 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.920 -1.160 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.179 0.156 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.491 -0.127 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.575 0.404 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.719 1.909 -2.471 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.975 -1.911 -7.696 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.196 -2.006 -8.925 1.00 0.00 C ATOM 1420 C LEU A 96 -4.847 -0.605 -9.418 1.00 0.00 C ATOM 1421 O LEU A 96 -5.726 0.150 -9.834 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.988 -2.770 -9.993 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.438 -2.676 -11.421 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.453 -4.041 -12.092 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.244 -1.675 -12.237 1.00 0.00 C ATOM 0 H LEU A 96 -6.768 -1.272 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.273 -2.551 -8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.028 -3.821 -9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.013 -2.400 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.406 -2.330 -11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.059 -3.953 -13.104 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.835 -4.734 -11.521 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.476 -4.416 -12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.840 -1.621 -13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.285 -1.994 -12.279 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.184 -0.692 -11.769 1.00 0.00 H new ATOM 1437 N THR A 97 -3.566 -0.246 -9.348 1.00 0.00 N ATOM 1438 CA THR A 97 -3.136 1.082 -9.771 1.00 0.00 C ATOM 1439 C THR A 97 -1.709 1.072 -10.303 1.00 0.00 C ATOM 1440 O THR A 97 -1.037 0.041 -10.300 1.00 0.00 O ATOM 1441 CB THR A 97 -3.234 2.064 -8.600 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.075 1.992 -7.788 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.431 1.826 -7.704 1.00 0.00 C ATOM 0 H THR A 97 -2.817 -0.849 -9.007 1.00 0.00 H new ATOM 0 HA THR A 97 -3.797 1.398 -10.578 1.00 0.00 H new ATOM 0 HB THR A 97 -3.340 3.045 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.209 1.323 -7.085 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.433 2.559 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.347 1.924 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.376 0.823 -7.282 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.255 2.239 -10.746 1.00 0.00 N ATOM 1452 CA ALA A 98 0.096 2.398 -11.267 1.00 0.00 C ATOM 1453 C ALA A 98 0.890 3.348 -10.378 1.00 0.00 C ATOM 1454 O ALA A 98 0.336 4.305 -9.835 1.00 0.00 O ATOM 1455 CB ALA A 98 0.057 2.914 -12.698 1.00 0.00 C ATOM 0 H ALA A 98 -1.809 3.095 -10.754 1.00 0.00 H new ATOM 0 HA ALA A 98 0.589 1.426 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.075 3.027 -13.072 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.484 2.205 -13.326 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.448 3.880 -12.723 1.00 0.00 H new ATOM 1461 N LYS A 99 2.180 3.077 -10.215 1.00 0.00 N ATOM 1462 CA LYS A 99 3.026 3.914 -9.372 1.00 0.00 C ATOM 1463 C LYS A 99 4.266 4.397 -10.115 1.00 0.00 C ATOM 1464 O LYS A 99 4.970 3.614 -10.754 1.00 0.00 O ATOM 1465 CB LYS A 99 3.442 3.146 -8.116 1.00 0.00 C ATOM 1466 CG LYS A 99 3.998 4.037 -7.016 1.00 0.00 C ATOM 1467 CD LYS A 99 4.916 3.263 -6.083 1.00 0.00 C ATOM 1468 CE LYS A 99 4.787 3.747 -4.647 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.097 3.741 -3.939 1.00 0.00 N ATOM 0 H LYS A 99 2.660 2.290 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 99 2.442 4.790 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.580 2.602 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.193 2.404 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.546 4.867 -7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.176 4.468 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.676 2.201 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.949 3.372 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.375 4.756 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.082 3.111 -4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.941 3.589 -2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.692 2.976 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.574 4.654 -4.083 1.00 0.00 H new ATOM 1483 N LEU A 100 4.531 5.695 -10.012 1.00 0.00 N ATOM 1484 CA LEU A 100 5.691 6.301 -10.654 1.00 0.00 C ATOM 1485 C LEU A 100 6.399 7.235 -9.677 1.00 0.00 C ATOM 1486 O LEU A 100 5.786 8.148 -9.125 1.00 0.00 O ATOM 1487 CB LEU A 100 5.274 7.068 -11.911 1.00 0.00 C ATOM 1488 CG LEU A 100 4.436 8.324 -11.660 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.327 9.552 -11.567 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.399 8.500 -12.762 1.00 0.00 C ATOM 0 H LEU A 100 3.954 6.351 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 100 6.378 5.508 -10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.173 7.354 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.708 6.396 -12.556 1.00 0.00 H new ATOM 0 HG LEU A 100 3.915 8.206 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.713 10.435 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.032 9.428 -10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.876 9.675 -12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.811 9.397 -12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.903 8.596 -13.724 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.740 7.632 -12.783 1.00 0.00 H new ATOM 1502 N GLY A 101 7.688 6.995 -9.454 1.00 0.00 N ATOM 1503 CA GLY A 101 8.440 7.821 -8.528 1.00 0.00 C ATOM 1504 C GLY A 101 9.699 8.407 -9.134 1.00 0.00 C ATOM 1505 O GLY A 101 9.962 8.250 -10.326 1.00 0.00 O ATOM 0 H GLY A 101 8.222 6.247 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.803 8.632 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.708 7.225 -7.656 1.00 0.00 H new ATOM 1509 N TYR A 102 10.478 9.088 -8.298 1.00 0.00 N ATOM 1510 CA TYR A 102 11.723 9.714 -8.732 1.00 0.00 C ATOM 1511 C TYR A 102 12.569 10.123 -7.524 1.00 0.00 C ATOM 1512 O TYR A 102 12.107 10.875 -6.665 1.00 0.00 O ATOM 1513 CB TYR A 102 11.423 10.940 -9.597 1.00 0.00 C ATOM 1514 CG TYR A 102 12.489 11.231 -10.629 1.00 0.00 C ATOM 1515 CD1 TYR A 102 13.819 11.386 -10.259 1.00 0.00 C ATOM 1516 CD2 TYR A 102 12.164 11.353 -11.974 1.00 0.00 C ATOM 1517 CE1 TYR A 102 14.795 11.654 -11.200 1.00 0.00 C ATOM 1518 CE2 TYR A 102 13.135 11.621 -12.922 1.00 0.00 C ATOM 1519 CZ TYR A 102 14.448 11.770 -12.529 1.00 0.00 C ATOM 1520 OH TYR A 102 15.416 12.037 -13.469 1.00 0.00 O ATOM 0 H TYR A 102 10.267 9.221 -7.309 1.00 0.00 H new ATOM 0 HA TYR A 102 12.285 8.990 -9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.470 10.791 -10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.308 11.810 -8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 102 14.095 11.296 -9.219 1.00 0.00 H new ATOM 0 HD2 TYR A 102 11.136 11.237 -12.285 1.00 0.00 H new ATOM 0 HE1 TYR A 102 15.824 11.772 -10.896 1.00 0.00 H new ATOM 0 HE2 TYR A 102 12.866 11.713 -13.964 1.00 0.00 H new ATOM 0 HH TYR A 102 15.005 12.086 -14.357 1.00 0.00 H new ATOM 1530 N PRO A 103 13.819 9.630 -7.433 1.00 0.00 N ATOM 1531 CA PRO A 103 14.714 9.952 -6.315 1.00 0.00 C ATOM 1532 C PRO A 103 15.221 11.390 -6.363 1.00 0.00 C ATOM 1533 O PRO A 103 15.077 12.077 -7.376 1.00 0.00 O ATOM 1534 CB PRO A 103 15.875 8.973 -6.498 1.00 0.00 C ATOM 1535 CG PRO A 103 15.891 8.677 -7.957 1.00 0.00 C ATOM 1536 CD PRO A 103 14.457 8.720 -8.405 1.00 0.00 C ATOM 0 HA PRO A 103 14.207 9.864 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.818 9.411 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.725 8.067 -5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.490 9.410 -8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.331 7.699 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.366 9.094 -9.425 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.001 7.730 -8.387 1.00 0.00 H new ATOM 1601 N LEU A 108 16.304 9.654 -0.766 1.00 0.00 N ATOM 1602 CA LEU A 108 15.026 10.358 -0.743 1.00 0.00 C ATOM 1603 C LEU A 108 14.378 10.330 -2.122 1.00 0.00 C ATOM 1604 O LEU A 108 14.994 10.720 -3.113 1.00 0.00 O ATOM 1605 CB LEU A 108 15.205 11.811 -0.280 1.00 0.00 C ATOM 1606 CG LEU A 108 16.566 12.146 0.338 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.749 13.653 0.424 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.703 11.509 1.714 1.00 0.00 C ATOM 0 HA LEU A 108 14.376 9.847 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.042 12.468 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.428 12.039 0.450 1.00 0.00 H new ATOM 0 HG LEU A 108 17.347 11.738 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.720 13.877 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.697 14.084 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.961 14.080 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.677 11.759 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.917 11.885 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.614 10.426 1.624 1.00 0.00 H new ATOM 1620 N ASP A 109 13.136 9.860 -2.185 1.00 0.00 N ATOM 1621 CA ASP A 109 12.423 9.782 -3.454 1.00 0.00 C ATOM 1622 C ASP A 109 10.934 10.059 -3.277 1.00 0.00 C ATOM 1623 O ASP A 109 10.392 9.930 -2.182 1.00 0.00 O ATOM 1624 CB ASP A 109 12.620 8.401 -4.084 1.00 0.00 C ATOM 1625 CG ASP A 109 12.070 7.287 -3.218 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.880 6.942 -3.378 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.828 6.757 -2.379 1.00 0.00 O ATOM 0 H ASP A 109 12.606 9.530 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 109 12.834 10.547 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.131 8.376 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.683 8.232 -4.257 1.00 0.00 H new ATOM 1632 N ILE A 110 10.282 10.432 -4.373 1.00 0.00 N ATOM 1633 CA ILE A 110 8.852 10.717 -4.357 1.00 0.00 C ATOM 1634 C ILE A 110 8.099 9.700 -5.208 1.00 0.00 C ATOM 1635 O ILE A 110 8.638 9.188 -6.188 1.00 0.00 O ATOM 1636 CB ILE A 110 8.551 12.137 -4.876 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.999 12.285 -6.334 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.231 13.179 -3.998 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.945 12.901 -7.226 1.00 0.00 C ATOM 0 H ILE A 110 10.723 10.544 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 110 8.519 10.650 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 110 7.474 12.299 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.899 12.899 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.267 11.304 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.009 14.176 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.863 13.090 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.309 13.018 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.328 12.976 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.052 12.276 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.693 13.896 -6.858 1.00 0.00 H new ATOM 1651 N TYR A 111 6.863 9.396 -4.828 1.00 0.00 N ATOM 1652 CA TYR A 111 6.067 8.424 -5.568 1.00 0.00 C ATOM 1653 C TYR A 111 4.621 8.882 -5.727 1.00 0.00 C ATOM 1654 O TYR A 111 4.049 9.504 -4.830 1.00 0.00 O ATOM 1655 CB TYR A 111 6.106 7.065 -4.867 1.00 0.00 C ATOM 1656 CG TYR A 111 7.185 6.144 -5.389 1.00 0.00 C ATOM 1657 CD1 TYR A 111 7.105 5.607 -6.667 1.00 0.00 C ATOM 1658 CD2 TYR A 111 8.282 5.814 -4.605 1.00 0.00 C ATOM 1659 CE1 TYR A 111 8.090 4.765 -7.149 1.00 0.00 C ATOM 1660 CE2 TYR A 111 9.271 4.972 -5.078 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.170 4.451 -6.352 1.00 0.00 C ATOM 1662 OH TYR A 111 10.152 3.612 -6.828 1.00 0.00 O ATOM 0 H TYR A 111 6.394 9.804 -4.020 1.00 0.00 H new ATOM 0 HA TYR A 111 6.502 8.333 -6.563 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.259 7.221 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.138 6.578 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.260 5.851 -7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.364 6.222 -3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.014 4.355 -8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.117 4.723 -4.455 1.00 0.00 H new ATOM 0 HH TYR A 111 10.842 3.494 -6.142 1.00 0.00 H new ATOM 1672 N THR A 112 4.036 8.557 -6.876 1.00 0.00 N ATOM 1673 CA THR A 112 2.653 8.915 -7.167 1.00 0.00 C ATOM 1674 C THR A 112 1.874 7.689 -7.630 1.00 0.00 C ATOM 1675 O THR A 112 2.294 6.987 -8.550 1.00 0.00 O ATOM 1676 CB THR A 112 2.599 10.006 -8.239 1.00 0.00 C ATOM 1677 OG1 THR A 112 3.699 9.893 -9.125 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.612 11.407 -7.667 1.00 0.00 C ATOM 0 H THR A 112 4.502 8.043 -7.624 1.00 0.00 H new ATOM 0 HA THR A 112 2.196 9.297 -6.254 1.00 0.00 H new ATOM 0 HB THR A 112 1.654 9.853 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.036 10.787 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.572 12.132 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.748 11.543 -7.017 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.526 11.557 -7.092 1.00 0.00 H new ATOM 1686 N ARG A 113 0.743 7.428 -6.981 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.086 6.278 -7.323 1.00 0.00 C ATOM 1688 C ARG A 113 -1.445 6.714 -7.862 1.00 0.00 C ATOM 1689 O ARG A 113 -2.132 7.534 -7.254 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.277 5.383 -6.097 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.972 4.067 -6.407 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.337 3.976 -5.742 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.456 2.793 -4.894 1.00 0.00 N ATOM 1694 CZ ARG A 113 -1.851 2.661 -3.716 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -1.090 3.638 -3.242 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -2.009 1.550 -3.010 1.00 0.00 N ATOM 0 H ARG A 113 0.380 7.997 -6.216 1.00 0.00 H new ATOM 0 HA ARG A 113 0.426 5.717 -8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.697 5.174 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.858 5.924 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.086 3.962 -7.486 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.348 3.239 -6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.508 4.870 -5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -3.112 3.952 -6.508 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.037 2.022 -5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.966 4.495 -3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.628 3.532 -2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.594 0.796 -3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.545 1.449 -2.107 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.828 6.152 -9.005 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.108 6.474 -9.629 1.00 0.00 C ATOM 1712 C LEU A 114 -3.786 5.209 -10.150 1.00 0.00 C ATOM 1713 O LEU A 114 -3.215 4.476 -10.957 1.00 0.00 O ATOM 1714 CB LEU A 114 -2.908 7.473 -10.773 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.174 7.820 -11.562 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.157 9.280 -11.994 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.310 6.906 -12.771 1.00 0.00 C ATOM 0 H LEU A 114 -1.269 5.470 -9.519 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.751 6.927 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.491 8.393 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.168 7.068 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.037 7.668 -10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.065 9.505 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.105 9.920 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.288 9.462 -12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.214 7.164 -13.322 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.442 7.029 -13.419 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.371 5.870 -12.439 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.007 4.959 -9.682 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.740 3.782 -10.112 1.00 0.00 C ATOM 1731 C GLY A 115 -7.102 3.675 -9.455 1.00 0.00 C ATOM 1732 O GLY A 115 -7.772 4.685 -9.240 1.00 0.00 O ATOM 0 H GLY A 115 -5.500 5.551 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.863 3.810 -11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.157 2.890 -9.881 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.517 2.451 -9.135 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.808 2.255 -8.504 1.00 0.00 C ATOM 1738 C GLY A 116 -8.816 1.101 -7.522 1.00 0.00 C ATOM 1739 O GLY A 116 -7.916 0.262 -7.531 1.00 0.00 O ATOM 0 H GLY A 116 -6.984 1.597 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.095 3.169 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.559 2.076 -9.273 1.00 0.00 H new ATOM 1743 N MET A 117 -9.837 1.063 -6.671 1.00 0.00 N ATOM 1744 CA MET A 117 -9.965 0.007 -5.673 1.00 0.00 C ATOM 1745 C MET A 117 -11.302 -0.717 -5.813 1.00 0.00 C ATOM 1746 O MET A 117 -12.321 -0.104 -6.139 1.00 0.00 O ATOM 1747 CB MET A 117 -9.832 0.590 -4.264 1.00 0.00 C ATOM 1748 CG MET A 117 -10.960 1.538 -3.889 1.00 0.00 C ATOM 1749 SD MET A 117 -11.811 1.045 -2.376 1.00 0.00 S ATOM 1750 CE MET A 117 -12.433 2.626 -1.808 1.00 0.00 C ATOM 0 H MET A 117 -10.588 1.752 -6.653 1.00 0.00 H new ATOM 0 HA MET A 117 -9.164 -0.714 -5.838 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.800 -0.227 -3.543 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.883 1.120 -4.187 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.558 2.543 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.679 1.582 -4.707 1.00 0.00 H new ATOM 0 HE1 MET A 117 -12.984 2.487 -0.878 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.598 3.305 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 117 -13.096 3.049 -2.563 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.286 -2.023 -5.562 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.494 -2.837 -5.656 1.00 0.00 C ATOM 1762 C VAL A 118 -12.686 -3.672 -4.394 1.00 0.00 C ATOM 1763 O VAL A 118 -11.739 -4.270 -3.884 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.456 -3.781 -6.877 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.865 -4.184 -7.281 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.727 -3.132 -8.048 1.00 0.00 C ATOM 0 H VAL A 118 -10.450 -2.540 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.329 -2.146 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.906 -4.679 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.820 -4.849 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -14.349 -4.698 -6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.438 -3.294 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.715 -3.818 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.241 -2.214 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.703 -2.899 -7.755 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.917 -3.708 -3.895 1.00 0.00 N ATOM 1777 CA TRP A 119 -14.234 -4.470 -2.692 1.00 0.00 C ATOM 1778 C TRP A 119 -15.344 -5.479 -2.967 1.00 0.00 C ATOM 1779 O TRP A 119 -16.294 -5.189 -3.695 1.00 0.00 O ATOM 1780 CB TRP A 119 -14.655 -3.528 -1.562 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.531 -3.168 -0.638 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.554 -2.240 -0.858 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -13.269 -3.729 0.654 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -11.699 -2.192 0.218 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -12.118 -3.096 1.159 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -13.898 -4.706 1.432 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -11.584 -3.409 2.406 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -13.366 -5.015 2.670 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -12.219 -4.367 3.147 1.00 0.00 C ATOM 0 H TRP A 119 -14.712 -3.218 -4.305 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.339 -5.013 -2.388 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -15.067 -2.616 -1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.453 -3.997 -0.986 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.466 -1.633 -1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -10.885 -1.583 0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.783 -5.210 1.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -10.699 -2.912 2.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -13.842 -5.768 3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -11.829 -4.629 4.119 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.737 -0.267 -5.691 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.691 0.020 -6.667 1.00 0.00 C ATOM 2093 C VAL A 141 -15.550 1.521 -6.889 1.00 0.00 C ATOM 2094 O VAL A 141 -16.518 2.198 -7.235 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.979 -0.672 -8.014 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.290 -0.174 -8.604 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.830 -0.452 -8.987 1.00 0.00 C ATOM 0 HA VAL A 141 -14.757 -0.371 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 141 -16.072 -1.743 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.475 -0.675 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -18.105 -0.392 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.230 0.902 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -15.053 -0.948 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.700 0.616 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.913 -0.866 -8.567 1.00 0.00 H new ATOM 2107 N SER A 142 -14.342 2.040 -6.687 1.00 0.00 N ATOM 2108 CA SER A 142 -14.093 3.467 -6.866 1.00 0.00 C ATOM 2109 C SER A 142 -12.617 3.750 -7.135 1.00 0.00 C ATOM 2110 O SER A 142 -11.742 2.994 -6.710 1.00 0.00 O ATOM 2111 CB SER A 142 -14.552 4.242 -5.630 1.00 0.00 C ATOM 2112 OG SER A 142 -15.963 4.195 -5.491 1.00 0.00 O ATOM 0 H SER A 142 -13.526 1.499 -6.401 1.00 0.00 H new ATOM 0 HA SER A 142 -14.664 3.796 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.082 3.824 -4.740 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.226 5.279 -5.706 1.00 0.00 H new ATOM 0 HG SER A 142 -16.340 3.605 -6.177 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.322 4.854 -7.845 1.00 0.00 N ATOM 2119 CA PRO A 143 -10.947 5.245 -8.169 1.00 0.00 C ATOM 2120 C PRO A 143 -10.233 5.875 -6.976 1.00 0.00 C ATOM 2121 O PRO A 143 -10.873 6.307 -6.018 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.134 6.273 -9.283 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.458 6.894 -8.999 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.308 5.813 -8.383 1.00 0.00 C ATOM 0 HA PRO A 143 -10.330 4.393 -8.453 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.337 7.016 -9.275 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.120 5.801 -10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.353 7.740 -8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -12.914 7.273 -9.914 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -13.951 6.209 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -13.959 5.346 -9.122 1.00 0.00 H new ATOM 2132 N VAL A 144 -8.906 5.925 -7.040 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.117 6.506 -5.958 1.00 0.00 C ATOM 2134 C VAL A 144 -6.757 6.991 -6.455 1.00 0.00 C ATOM 2135 O VAL A 144 -6.269 6.552 -7.497 1.00 0.00 O ATOM 2136 CB VAL A 144 -7.897 5.497 -4.815 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.228 5.075 -4.210 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.121 4.286 -5.310 1.00 0.00 C ATOM 0 H VAL A 144 -8.357 5.573 -7.824 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.687 7.356 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.308 5.983 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.052 4.362 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -9.742 5.951 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -9.845 4.609 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.976 3.586 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.679 3.798 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.150 4.606 -5.689 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.153 7.897 -5.694 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.848 8.448 -6.040 1.00 0.00 C ATOM 2150 C PHE A 145 -4.052 8.767 -4.779 1.00 0.00 C ATOM 2151 O PHE A 145 -4.471 9.586 -3.960 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.012 9.711 -6.888 1.00 0.00 C ATOM 2153 CG PHE A 145 -3.717 10.233 -7.444 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -2.769 10.804 -6.610 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -3.450 10.155 -8.802 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -1.578 11.287 -7.121 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -2.262 10.636 -9.318 1.00 0.00 C ATOM 2158 CZ PHE A 145 -1.324 11.202 -8.474 1.00 0.00 C ATOM 0 H PHE A 145 -6.549 8.267 -4.830 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.303 7.702 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -5.693 9.499 -7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.477 10.488 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -2.962 10.873 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.179 9.713 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -0.847 11.730 -6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -2.066 10.570 -10.378 1.00 0.00 H new ATOM 0 HZ PHE A 145 -0.394 11.577 -8.874 1.00 0.00 H new ATOM 2168 N ALA A 146 -2.904 8.116 -4.626 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.055 8.332 -3.461 1.00 0.00 C ATOM 2170 C ALA A 146 -0.715 8.938 -3.859 1.00 0.00 C ATOM 2171 O ALA A 146 0.022 8.368 -4.664 1.00 0.00 O ATOM 2172 CB ALA A 146 -1.845 7.023 -2.713 1.00 0.00 C ATOM 0 H ALA A 146 -2.541 7.435 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.559 9.039 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.209 7.198 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -2.808 6.633 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.367 6.299 -3.373 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.403 10.097 -3.287 1.00 0.00 N ATOM 2179 CA GLY A 147 0.850 10.761 -3.591 1.00 0.00 C ATOM 2180 C GLY A 147 1.644 11.086 -2.342 1.00 0.00 C ATOM 2181 O GLY A 147 1.101 11.623 -1.377 1.00 0.00 O ATOM 0 H GLY A 147 -0.996 10.588 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.447 10.124 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.648 11.680 -4.140 1.00 0.00 H new ATOM 2185 N GLY A 148 2.932 10.756 -2.355 1.00 0.00 N ATOM 2186 CA GLY A 148 3.770 11.025 -1.203 1.00 0.00 C ATOM 2187 C GLY A 148 5.249 10.888 -1.507 1.00 0.00 C ATOM 2188 O GLY A 148 5.676 11.054 -2.651 1.00 0.00 O ATOM 0 H GLY A 148 3.407 10.309 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.570 12.034 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.504 10.340 -0.398 1.00 0.00 H new ATOM 2192 N VAL A 149 6.033 10.581 -0.477 1.00 0.00 N ATOM 2193 CA VAL A 149 7.474 10.423 -0.636 1.00 0.00 C ATOM 2194 C VAL A 149 7.971 9.173 0.087 1.00 0.00 C ATOM 2195 O VAL A 149 7.223 8.541 0.834 1.00 0.00 O ATOM 2196 CB VAL A 149 8.237 11.655 -0.109 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.096 12.831 -1.071 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.747 12.030 1.282 1.00 0.00 C ATOM 0 H VAL A 149 5.695 10.437 0.474 1.00 0.00 H new ATOM 0 HA VAL A 149 7.668 10.320 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 149 9.295 11.401 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.642 13.689 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.502 12.556 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.042 13.089 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.296 12.901 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.683 12.263 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.910 11.195 1.963 1.00 0.00 H new ATOM 2208 N GLU A 150 9.232 8.814 -0.145 1.00 0.00 N ATOM 2209 CA GLU A 150 9.814 7.634 0.481 1.00 0.00 C ATOM 2210 C GLU A 150 11.238 7.903 0.954 1.00 0.00 C ATOM 2211 O GLU A 150 11.993 8.636 0.308 1.00 0.00 O ATOM 2212 CB GLU A 150 9.806 6.458 -0.497 1.00 0.00 C ATOM 2213 CG GLU A 150 9.903 5.100 0.179 1.00 0.00 C ATOM 2214 CD GLU A 150 10.297 3.996 -0.782 1.00 0.00 C ATOM 2215 OE1 GLU A 150 11.504 3.863 -1.071 1.00 0.00 O ATOM 2216 OE2 GLU A 150 9.398 3.263 -1.246 1.00 0.00 O ATOM 0 H GLU A 150 9.867 9.323 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 150 9.207 7.385 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.891 6.495 -1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.639 6.569 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.634 5.152 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.943 4.855 0.633 1.00 0.00 H new ATOM 2223 N TRP A 151 11.600 7.297 2.081 1.00 0.00 N ATOM 2224 CA TRP A 151 12.934 7.459 2.648 1.00 0.00 C ATOM 2225 C TRP A 151 13.574 6.097 2.912 1.00 0.00 C ATOM 2226 O TRP A 151 12.939 5.201 3.466 1.00 0.00 O ATOM 2227 CB TRP A 151 12.864 8.268 3.947 1.00 0.00 C ATOM 2228 CG TRP A 151 13.436 9.647 3.817 1.00 0.00 C ATOM 2229 CD1 TRP A 151 13.251 10.518 2.784 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.287 10.313 4.758 1.00 0.00 C ATOM 2231 NE1 TRP A 151 13.934 11.687 3.023 1.00 0.00 N ATOM 2232 CE2 TRP A 151 14.579 11.585 4.229 1.00 0.00 C ATOM 2233 CE3 TRP A 151 14.831 9.958 5.996 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 15.388 12.501 4.894 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 15.635 10.868 6.655 1.00 0.00 C ATOM 2236 CH2 TRP A 151 15.906 12.127 6.104 1.00 0.00 C ATOM 0 H TRP A 151 10.986 6.687 2.621 1.00 0.00 H new ATOM 0 HA TRP A 151 13.550 7.999 1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.824 8.342 4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.400 7.732 4.730 1.00 0.00 H new ATOM 0 HD1 TRP A 151 12.655 10.318 1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 151 13.957 12.498 2.404 1.00 0.00 H new ATOM 0 HE3 TRP A 151 14.626 8.990 6.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 15.599 13.472 4.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 16.062 10.604 7.611 1.00 0.00 H new ATOM 0 HH2 TRP A 151 16.537 12.817 6.645 1.00 0.00 H new ATOM 2247 N ALA A 152 14.831 5.950 2.505 1.00 0.00 N ATOM 2248 CA ALA A 152 15.551 4.696 2.695 1.00 0.00 C ATOM 2249 C ALA A 152 16.437 4.745 3.934 1.00 0.00 C ATOM 2250 O ALA A 152 17.117 5.741 4.185 1.00 0.00 O ATOM 2251 CB ALA A 152 16.384 4.379 1.462 1.00 0.00 C ATOM 0 H ALA A 152 15.371 6.682 2.043 1.00 0.00 H new ATOM 0 HA ALA A 152 14.816 3.905 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.917 3.441 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.730 4.288 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.102 5.181 1.292 1.00 0.00 H new ATOM 2257 N VAL A 153 16.431 3.661 4.704 1.00 0.00 N ATOM 2258 CA VAL A 153 17.240 3.578 5.915 1.00 0.00 C ATOM 2259 C VAL A 153 18.341 2.538 5.750 1.00 0.00 C ATOM 2260 O VAL A 153 19.527 2.865 5.763 1.00 0.00 O ATOM 2261 CB VAL A 153 16.383 3.219 7.145 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.238 3.174 8.404 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.240 4.212 7.303 1.00 0.00 C ATOM 0 H VAL A 153 15.875 2.828 4.511 1.00 0.00 H new ATOM 0 HA VAL A 153 17.684 4.560 6.076 1.00 0.00 H new ATOM 0 HB VAL A 153 15.958 2.227 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.613 2.919 9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 153 18.018 2.422 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.696 4.149 8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.644 3.945 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.645 5.215 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.611 4.188 6.413 1.00 0.00 H new ATOM 2323 N ILE A 157 15.425 -1.996 3.108 1.00 0.00 N ATOM 2324 CA ILE A 157 14.161 -1.569 3.696 1.00 0.00 C ATOM 2325 C ILE A 157 14.058 -0.049 3.766 1.00 0.00 C ATOM 2326 O ILE A 157 14.991 0.630 4.198 1.00 0.00 O ATOM 2327 CB ILE A 157 13.979 -2.151 5.111 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.262 -3.655 5.107 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.573 -1.871 5.622 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.332 -4.262 6.490 1.00 0.00 C ATOM 0 HA ILE A 157 13.372 -1.947 3.046 1.00 0.00 H new ATOM 0 HB ILE A 157 14.690 -1.669 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.483 -4.161 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.205 -3.837 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.460 -2.288 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.406 -0.794 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.845 -2.330 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.535 -5.330 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.130 -3.783 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.381 -4.112 7.002 1.00 0.00 H new ATOM 2342 N ALA A 158 12.914 0.475 3.340 1.00 0.00 N ATOM 2343 CA ALA A 158 12.675 1.913 3.354 1.00 0.00 C ATOM 2344 C ALA A 158 11.245 2.228 3.786 1.00 0.00 C ATOM 2345 O ALA A 158 10.344 1.401 3.636 1.00 0.00 O ATOM 2346 CB ALA A 158 12.956 2.506 1.980 1.00 0.00 C ATOM 0 H ALA A 158 12.136 -0.077 2.980 1.00 0.00 H new ATOM 0 HA ALA A 158 13.353 2.363 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.774 3.580 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.995 2.320 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.300 2.043 1.243 1.00 0.00 H new ATOM 2352 N THR A 159 11.045 3.431 4.316 1.00 0.00 N ATOM 2353 CA THR A 159 9.725 3.860 4.764 1.00 0.00 C ATOM 2354 C THR A 159 9.082 4.775 3.729 1.00 0.00 C ATOM 2355 O THR A 159 9.776 5.483 3.000 1.00 0.00 O ATOM 2356 CB THR A 159 9.828 4.584 6.108 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.714 3.903 6.978 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.499 4.718 6.819 1.00 0.00 C ATOM 0 H THR A 159 11.780 4.126 4.446 1.00 0.00 H new ATOM 0 HA THR A 159 9.100 2.975 4.887 1.00 0.00 H new ATOM 0 HB THR A 159 10.197 5.582 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.768 4.382 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.643 5.240 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.807 5.283 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.088 3.727 7.011 1.00 0.00 H new ATOM 2366 N ARG A 160 7.755 4.752 3.657 1.00 0.00 N ATOM 2367 CA ARG A 160 7.038 5.580 2.697 1.00 0.00 C ATOM 2368 C ARG A 160 5.810 6.237 3.321 1.00 0.00 C ATOM 2369 O ARG A 160 5.022 5.587 4.009 1.00 0.00 O ATOM 2370 CB ARG A 160 6.614 4.741 1.489 1.00 0.00 C ATOM 2371 CG ARG A 160 6.531 5.535 0.196 1.00 0.00 C ATOM 2372 CD ARG A 160 5.225 6.310 0.099 1.00 0.00 C ATOM 2373 NE ARG A 160 4.530 6.054 -1.159 1.00 0.00 N ATOM 2374 CZ ARG A 160 3.623 6.873 -1.688 1.00 0.00 C ATOM 2375 NH1 ARG A 160 3.297 8.001 -1.070 1.00 0.00 N ATOM 2376 NH2 ARG A 160 3.040 6.563 -2.837 1.00 0.00 N ATOM 0 H ARG A 160 7.159 4.173 4.248 1.00 0.00 H new ATOM 0 HA ARG A 160 7.717 6.370 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 160 7.323 3.923 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.642 4.291 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 160 7.371 6.227 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.617 4.858 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.578 6.037 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 160 5.429 7.377 0.190 1.00 0.00 H new ATOM 0 HE ARG A 160 4.753 5.196 -1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.742 8.245 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.602 8.625 -1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.286 5.697 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.345 7.190 -3.242 1.00 0.00 H new ATOM 2390 N LEU A 161 5.651 7.531 3.053 1.00 0.00 N ATOM 2391 CA LEU A 161 4.515 8.290 3.561 1.00 0.00 C ATOM 2392 C LEU A 161 3.677 8.806 2.397 1.00 0.00 C ATOM 2393 O LEU A 161 4.173 9.550 1.546 1.00 0.00 O ATOM 2394 CB LEU A 161 4.990 9.459 4.427 1.00 0.00 C ATOM 2395 CG LEU A 161 4.074 9.806 5.604 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.707 10.881 6.475 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.709 10.255 5.101 1.00 0.00 C ATOM 0 H LEU A 161 6.299 8.076 2.484 1.00 0.00 H new ATOM 0 HA LEU A 161 3.904 7.632 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.982 9.225 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.094 10.341 3.795 1.00 0.00 H new ATOM 0 HG LEU A 161 3.938 8.911 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.042 11.114 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.660 10.521 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.874 11.779 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.070 10.498 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.825 11.137 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.253 9.452 4.522 1.00 0.00 H new ATOM 2409 N GLU A 162 2.412 8.392 2.351 1.00 0.00 N ATOM 2410 CA GLU A 162 1.517 8.802 1.275 1.00 0.00 C ATOM 2411 C GLU A 162 0.405 9.714 1.783 1.00 0.00 C ATOM 2412 O GLU A 162 -0.106 9.535 2.888 1.00 0.00 O ATOM 2413 CB GLU A 162 0.908 7.571 0.599 1.00 0.00 C ATOM 2414 CG GLU A 162 0.003 6.760 1.512 1.00 0.00 C ATOM 2415 CD GLU A 162 -1.026 5.952 0.745 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.621 5.123 -0.098 1.00 0.00 O ATOM 2417 OE2 GLU A 162 -2.235 6.148 0.987 1.00 0.00 O ATOM 0 H GLU A 162 1.987 7.776 3.044 1.00 0.00 H new ATOM 0 HA GLU A 162 2.108 9.363 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.338 7.891 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 162 1.712 6.931 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 162 0.611 6.087 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -0.508 7.432 2.201 1.00 0.00 H new ATOM 2424 N TYR A 163 0.031 10.686 0.957 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.027 11.626 1.306 1.00 0.00 C ATOM 2426 C TYR A 163 -1.991 11.805 0.136 1.00 0.00 C ATOM 2427 O TYR A 163 -1.671 11.460 -1.002 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.434 12.978 1.707 1.00 0.00 C ATOM 2429 CG TYR A 163 0.503 13.563 0.674 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.027 14.001 -0.556 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.864 13.679 0.929 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.881 14.537 -1.502 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.724 14.211 -0.011 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.229 14.640 -1.225 1.00 0.00 C ATOM 2435 OH TYR A 163 3.081 15.173 -2.162 1.00 0.00 O ATOM 0 H TYR A 163 0.447 10.843 0.039 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.577 11.220 2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.247 13.682 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.103 12.864 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.027 13.921 -0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.256 13.347 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.495 14.873 -2.453 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.780 14.291 0.203 1.00 0.00 H new ATOM 0 HH TYR A 163 3.995 15.175 -1.809 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.172 12.342 0.423 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.179 12.562 -0.609 1.00 0.00 C ATOM 2447 C GLN A 164 -3.913 13.862 -1.362 1.00 0.00 C ATOM 2448 O GLN A 164 -3.281 14.777 -0.835 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.578 12.595 0.009 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.647 11.973 -0.875 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.939 12.767 -0.874 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.241 13.483 0.080 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -8.710 12.643 -1.950 1.00 0.00 N ATOM 0 H GLN A 164 -3.455 12.632 1.359 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.122 11.735 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.557 12.070 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -5.849 13.630 0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.271 11.899 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.849 10.957 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -8.420 12.038 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -9.591 13.153 -2.007 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.930 10.507 4.612 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.503 10.224 4.712 1.00 0.00 C ATOM 2726 C LEU A 184 -2.264 8.916 5.457 1.00 0.00 C ATOM 2727 O LEU A 184 -2.960 8.609 6.425 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.780 11.372 5.421 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.041 12.761 4.836 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.317 13.352 5.413 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.857 13.679 5.102 1.00 0.00 C ATOM 0 HA LEU A 184 -2.104 10.126 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.076 11.375 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.708 11.178 5.393 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.167 12.664 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.486 14.340 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.159 12.703 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.222 13.437 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.058 14.664 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.702 13.770 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.038 13.262 4.640 1.00 0.00 H new ATOM 2743 N SER A 185 -1.282 8.147 5.001 1.00 0.00 N ATOM 2744 CA SER A 185 -0.963 6.870 5.630 1.00 0.00 C ATOM 2745 C SER A 185 0.544 6.631 5.669 1.00 0.00 C ATOM 2746 O SER A 185 1.285 7.115 4.810 1.00 0.00 O ATOM 2747 CB SER A 185 -1.651 5.726 4.883 1.00 0.00 C ATOM 2748 OG SER A 185 -3.043 5.961 4.759 1.00 0.00 O ATOM 0 H SER A 185 -0.695 8.384 4.201 1.00 0.00 H new ATOM 0 HA SER A 185 -1.329 6.903 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.208 5.616 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.483 4.789 5.413 1.00 0.00 H new ATOM 0 HG SER A 185 -3.459 5.216 4.277 1.00 0.00 H new ATOM 2754 N LEU A 186 0.984 5.872 6.670 1.00 0.00 N ATOM 2755 CA LEU A 186 2.399 5.553 6.828 1.00 0.00 C ATOM 2756 C LEU A 186 2.629 4.058 6.642 1.00 0.00 C ATOM 2757 O LEU A 186 1.917 3.237 7.220 1.00 0.00 O ATOM 2758 CB LEU A 186 2.907 5.986 8.210 1.00 0.00 C ATOM 2759 CG LEU A 186 2.167 7.165 8.847 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.104 6.668 9.817 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.148 8.087 9.559 1.00 0.00 C ATOM 0 H LEU A 186 0.379 5.466 7.384 1.00 0.00 H new ATOM 0 HA LEU A 186 2.954 6.099 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.843 5.132 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.962 6.246 8.124 1.00 0.00 H new ATOM 0 HG LEU A 186 1.674 7.729 8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.589 7.520 10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.385 6.047 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.576 6.080 10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.605 8.920 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.668 7.532 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.874 8.470 8.841 1.00 0.00 H new ATOM 2773 N GLY A 187 3.623 3.705 5.833 1.00 0.00 N ATOM 2774 CA GLY A 187 3.912 2.303 5.596 1.00 0.00 C ATOM 2775 C GLY A 187 5.378 2.039 5.322 1.00 0.00 C ATOM 2776 O GLY A 187 6.151 2.966 5.081 1.00 0.00 O ATOM 0 H GLY A 187 4.230 4.360 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.600 1.722 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.321 1.954 4.749 1.00 0.00 H new ATOM 2780 N VAL A 188 5.757 0.766 5.352 1.00 0.00 N ATOM 2781 CA VAL A 188 7.137 0.368 5.102 1.00 0.00 C ATOM 2782 C VAL A 188 7.201 -0.706 4.022 1.00 0.00 C ATOM 2783 O VAL A 188 6.365 -1.610 3.985 1.00 0.00 O ATOM 2784 CB VAL A 188 7.825 -0.156 6.380 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.349 1.000 7.217 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.874 -1.023 7.193 1.00 0.00 C ATOM 0 H VAL A 188 5.125 -0.010 5.548 1.00 0.00 H new ATOM 0 HA VAL A 188 7.667 1.259 4.765 1.00 0.00 H new ATOM 0 HB VAL A 188 8.671 -0.774 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.831 0.611 8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.072 1.572 6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.520 1.648 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.383 -1.380 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.002 -0.436 7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.555 -1.875 6.593 1.00 0.00 H new ATOM 2796 N SER A 189 8.191 -0.601 3.142 1.00 0.00 N ATOM 2797 CA SER A 189 8.347 -1.566 2.059 1.00 0.00 C ATOM 2798 C SER A 189 9.816 -1.907 1.830 1.00 0.00 C ATOM 2799 O SER A 189 10.707 -1.310 2.434 1.00 0.00 O ATOM 2800 CB SER A 189 7.733 -1.020 0.770 1.00 0.00 C ATOM 2801 OG SER A 189 8.497 0.059 0.257 1.00 0.00 O ATOM 0 H SER A 189 8.894 0.138 3.157 1.00 0.00 H new ATOM 0 HA SER A 189 7.825 -2.479 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.675 -1.815 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.713 -0.688 0.962 1.00 0.00 H new ATOM 0 HG SER A 189 8.084 0.389 -0.568 1.00 0.00 H new ATOM 2807 N TYR A 190 10.057 -2.872 0.947 1.00 0.00 N ATOM 2808 CA TYR A 190 11.412 -3.300 0.628 1.00 0.00 C ATOM 2809 C TYR A 190 11.506 -3.757 -0.825 1.00 0.00 C ATOM 2810 O TYR A 190 10.527 -4.233 -1.401 1.00 0.00 O ATOM 2811 CB TYR A 190 11.845 -4.433 1.560 1.00 0.00 C ATOM 2812 CG TYR A 190 11.018 -5.689 1.412 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.666 -5.696 1.738 1.00 0.00 C ATOM 2814 CD2 TYR A 190 11.585 -6.868 0.945 1.00 0.00 C ATOM 2815 CE1 TYR A 190 8.906 -6.842 1.603 1.00 0.00 C ATOM 2816 CE2 TYR A 190 10.830 -8.018 0.807 1.00 0.00 C ATOM 2817 CZ TYR A 190 9.492 -7.999 1.137 1.00 0.00 C ATOM 2818 OH TYR A 190 8.737 -9.142 1.001 1.00 0.00 O ATOM 0 H TYR A 190 9.328 -3.373 0.439 1.00 0.00 H new ATOM 0 HA TYR A 190 12.079 -2.450 0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.891 -4.672 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.783 -4.087 2.592 1.00 0.00 H new ATOM 0 HD1 TYR A 190 9.203 -4.791 2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 190 12.633 -6.887 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 190 7.857 -6.831 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 190 11.286 -8.926 0.443 1.00 0.00 H new ATOM 0 HH TYR A 190 9.301 -9.868 0.660 1.00 0.00 H new ATOM 2828 N ARG A 191 12.689 -3.609 -1.413 1.00 0.00 N ATOM 2829 CA ARG A 191 12.908 -4.006 -2.800 1.00 0.00 C ATOM 2830 C ARG A 191 13.280 -5.482 -2.891 1.00 0.00 C ATOM 2831 O ARG A 191 13.826 -6.056 -1.949 1.00 0.00 O ATOM 2832 CB ARG A 191 14.009 -3.151 -3.429 1.00 0.00 C ATOM 2833 CG ARG A 191 15.327 -3.202 -2.671 1.00 0.00 C ATOM 2834 CD ARG A 191 16.430 -2.479 -3.425 1.00 0.00 C ATOM 2835 NE ARG A 191 17.421 -1.899 -2.520 1.00 0.00 N ATOM 2836 CZ ARG A 191 18.272 -0.937 -2.871 1.00 0.00 C ATOM 2837 NH1 ARG A 191 18.257 -0.445 -4.105 1.00 0.00 N ATOM 2838 NH2 ARG A 191 19.140 -0.466 -1.987 1.00 0.00 N ATOM 0 H ARG A 191 13.510 -3.218 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 191 11.979 -3.850 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 191 14.175 -3.484 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.669 -2.117 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 191 15.200 -2.750 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.615 -4.241 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.922 -3.176 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.994 -1.691 -4.038 1.00 0.00 H new ATOM 0 HE ARG A 191 17.463 -2.252 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.591 -0.804 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 191 18.911 0.292 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 191 19.156 -0.841 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 191 19.792 0.271 -2.255 1.00 0.00 H new