USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ -162:sc= -1.19 (180deg=-1.76) USER MOD Set 1.2: A 185 SER OG : rot 180:sc= -0.843 USER MOD Single : A 18 THR OG1 : rot 29:sc= 0.58 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -69:sc=8.31e-05 USER MOD Single : A 61 GLN : amide:sc= -0.215 K(o=-0.22,f=-2.6!) 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= -0.409 K(o=-0.41,f=-1.1!) USER MOD Single : A 95 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 97 THR OG1 : rot -41:sc= 0.00936 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.558) 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 -153:sc= 0.982 USER MOD Single : A 117 MET CE :methyl 143:sc= -3.03! (180deg=-6.03!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.648 -3.505 -11.544 1.00 0.00 N ATOM 276 CA THR A 18 12.563 -4.000 -10.175 1.00 0.00 C ATOM 277 C THR A 18 11.162 -3.790 -9.608 1.00 0.00 C ATOM 278 O THR A 18 10.307 -3.183 -10.253 1.00 0.00 O ATOM 279 CB THR A 18 13.595 -3.297 -9.290 1.00 0.00 C ATOM 280 OG1 THR A 18 14.735 -2.932 -10.046 1.00 0.00 O ATOM 281 CG2 THR A 18 14.065 -4.148 -8.129 1.00 0.00 C ATOM 0 HA THR A 18 12.775 -5.069 -10.188 1.00 0.00 H new ATOM 0 HB THR A 18 13.087 -2.418 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.472 -2.764 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.795 -3.591 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.214 -4.406 -7.499 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.525 -5.060 -8.509 1.00 0.00 H new ATOM 289 N TRP A 19 10.934 -4.296 -8.400 1.00 0.00 N ATOM 290 CA TRP A 19 9.636 -4.162 -7.752 1.00 0.00 C ATOM 291 C TRP A 19 9.795 -3.966 -6.247 1.00 0.00 C ATOM 292 O TRP A 19 10.733 -4.482 -5.640 1.00 0.00 O ATOM 293 CB TRP A 19 8.772 -5.394 -8.029 1.00 0.00 C ATOM 294 CG TRP A 19 9.488 -6.688 -7.790 1.00 0.00 C ATOM 295 CD1 TRP A 19 10.434 -7.261 -8.590 1.00 0.00 C ATOM 296 CD2 TRP A 19 9.313 -7.572 -6.676 1.00 0.00 C ATOM 297 NE1 TRP A 19 10.859 -8.448 -8.043 1.00 0.00 N ATOM 298 CE2 TRP A 19 10.187 -8.660 -6.867 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.506 -7.549 -5.537 1.00 0.00 C ATOM 300 CZ2 TRP A 19 10.273 -9.714 -5.961 1.00 0.00 C ATOM 301 CZ3 TRP A 19 8.593 -8.596 -4.638 1.00 0.00 C ATOM 302 CH2 TRP A 19 9.471 -9.664 -4.854 1.00 0.00 C ATOM 0 H TRP A 19 11.630 -4.801 -7.852 1.00 0.00 H new ATOM 0 HA TRP A 19 9.143 -3.282 -8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.885 -5.356 -7.397 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.428 -5.363 -9.063 1.00 0.00 H new ATOM 0 HD1 TRP A 19 10.796 -6.843 -9.518 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.560 -9.070 -8.446 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.826 -6.728 -5.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.948 -10.541 -6.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.973 -8.589 -3.754 1.00 0.00 H new ATOM 0 HH2 TRP A 19 9.516 -10.466 -4.132 1.00 0.00 H new ATOM 313 N TYR A 20 8.872 -3.218 -5.652 1.00 0.00 N ATOM 314 CA TYR A 20 8.907 -2.953 -4.218 1.00 0.00 C ATOM 315 C TYR A 20 7.642 -3.471 -3.543 1.00 0.00 C ATOM 316 O TYR A 20 6.543 -3.348 -4.085 1.00 0.00 O ATOM 317 CB TYR A 20 9.062 -1.454 -3.958 1.00 0.00 C ATOM 318 CG TYR A 20 10.201 -0.820 -4.724 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.162 -0.722 -6.110 1.00 0.00 C ATOM 320 CD2 TYR A 20 11.317 -0.323 -4.062 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.202 -0.145 -6.814 1.00 0.00 C ATOM 322 CE2 TYR A 20 12.361 0.256 -4.760 1.00 0.00 C ATOM 323 CZ TYR A 20 12.298 0.343 -6.133 1.00 0.00 C ATOM 324 OH TYR A 20 13.336 0.919 -6.832 1.00 0.00 O ATOM 0 H TYR A 20 8.089 -2.784 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 20 9.765 -3.476 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.132 -0.950 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.219 -1.293 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.305 -1.103 -6.646 1.00 0.00 H new ATOM 0 HD2 TYR A 20 11.370 -0.390 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.157 -0.077 -7.891 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.222 0.638 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 20 14.030 1.212 -6.205 1.00 0.00 H new ATOM 334 N ALA A 21 7.803 -4.053 -2.359 1.00 0.00 N ATOM 335 CA ALA A 21 6.668 -4.590 -1.613 1.00 0.00 C ATOM 336 C ALA A 21 6.712 -4.163 -0.151 1.00 0.00 C ATOM 337 O ALA A 21 7.777 -4.137 0.467 1.00 0.00 O ATOM 338 CB ALA A 21 6.639 -6.107 -1.722 1.00 0.00 C ATOM 0 H ALA A 21 8.705 -4.165 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 21 5.755 -4.185 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.789 -6.496 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.546 -6.395 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.562 -6.519 -1.313 1.00 0.00 H new ATOM 344 N GLY A 22 5.547 -3.833 0.399 1.00 0.00 N ATOM 345 CA GLY A 22 5.471 -3.414 1.785 1.00 0.00 C ATOM 346 C GLY A 22 4.045 -3.173 2.241 1.00 0.00 C ATOM 347 O GLY A 22 3.100 -3.688 1.642 1.00 0.00 O ATOM 0 H GLY A 22 4.653 -3.849 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.927 -4.176 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.051 -2.501 1.917 1.00 0.00 H new ATOM 351 N GLY A 23 3.888 -2.388 3.302 1.00 0.00 N ATOM 352 CA GLY A 23 2.564 -2.095 3.816 1.00 0.00 C ATOM 353 C GLY A 23 2.518 -0.796 4.596 1.00 0.00 C ATOM 354 O GLY A 23 3.514 -0.390 5.201 1.00 0.00 O ATOM 0 H GLY A 23 4.654 -1.950 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.859 -2.042 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.238 -2.913 4.459 1.00 0.00 H new ATOM 358 N LYS A 24 1.359 -0.139 4.582 1.00 0.00 N ATOM 359 CA LYS A 24 1.189 1.124 5.292 1.00 0.00 C ATOM 360 C LYS A 24 -0.085 1.114 6.132 1.00 0.00 C ATOM 361 O LYS A 24 -1.038 0.397 5.827 1.00 0.00 O ATOM 362 CB LYS A 24 1.149 2.288 4.301 1.00 0.00 C ATOM 363 CG LYS A 24 0.272 2.024 3.088 1.00 0.00 C ATOM 364 CD LYS A 24 0.502 3.061 2.001 1.00 0.00 C ATOM 365 CE LYS A 24 -0.128 4.396 2.362 1.00 0.00 C ATOM 366 NZ LYS A 24 -1.596 4.277 2.581 1.00 0.00 N ATOM 0 H LYS A 24 0.527 -0.461 4.088 1.00 0.00 H new ATOM 0 HA LYS A 24 2.041 1.251 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.787 3.179 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.163 2.504 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.482 1.030 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.776 2.034 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.572 3.193 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.084 2.703 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.343 4.787 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.063 5.115 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.033 5.219 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.007 3.658 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.775 3.871 3.522 1.00 0.00 H new ATOM 380 N LEU A 25 -0.091 1.918 7.191 1.00 0.00 N ATOM 381 CA LEU A 25 -1.244 2.010 8.078 1.00 0.00 C ATOM 382 C LEU A 25 -1.660 3.464 8.271 1.00 0.00 C ATOM 383 O LEU A 25 -0.823 4.369 8.233 1.00 0.00 O ATOM 384 CB LEU A 25 -0.928 1.373 9.434 1.00 0.00 C ATOM 385 CG LEU A 25 -2.132 1.211 10.370 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.387 -0.259 10.671 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.917 1.988 11.662 1.00 0.00 C ATOM 0 H LEU A 25 0.692 2.516 7.455 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.070 1.469 7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.485 0.392 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.175 1.980 9.937 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.010 1.616 9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.245 -0.351 11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.590 -0.791 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.508 -0.690 11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.783 1.860 12.312 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.026 1.615 12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.789 3.046 11.433 1.00 0.00 H new ATOM 399 N GLY A 26 -2.954 3.683 8.475 1.00 0.00 N ATOM 400 CA GLY A 26 -3.457 5.030 8.669 1.00 0.00 C ATOM 401 C GLY A 26 -4.882 5.050 9.184 1.00 0.00 C ATOM 402 O GLY A 26 -5.277 4.190 9.970 1.00 0.00 O ATOM 0 H GLY A 26 -3.664 2.951 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.813 5.557 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.408 5.572 7.725 1.00 0.00 H new ATOM 799 N GLY A 53 -6.709 1.763 10.020 1.00 0.00 N ATOM 800 CA GLY A 53 -6.834 0.804 8.937 1.00 0.00 C ATOM 801 C GLY A 53 -5.489 0.374 8.384 1.00 0.00 C ATOM 802 O GLY A 53 -4.552 1.172 8.323 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.374 -0.073 9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.430 1.241 8.136 1.00 0.00 H new ATOM 806 N ALA A 54 -5.393 -0.888 7.979 1.00 0.00 N ATOM 807 CA ALA A 54 -4.154 -1.422 7.429 1.00 0.00 C ATOM 808 C ALA A 54 -4.271 -1.630 5.924 1.00 0.00 C ATOM 809 O ALA A 54 -5.333 -1.996 5.419 1.00 0.00 O ATOM 810 CB ALA A 54 -3.790 -2.729 8.118 1.00 0.00 C ATOM 0 H ALA A 54 -6.159 -1.560 8.022 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.361 -0.697 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.862 -3.116 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.658 -2.553 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.588 -3.455 7.966 1.00 0.00 H new ATOM 816 N GLY A 55 -3.176 -1.395 5.209 1.00 0.00 N ATOM 817 CA GLY A 55 -3.186 -1.563 3.769 1.00 0.00 C ATOM 818 C GLY A 55 -1.830 -1.954 3.215 1.00 0.00 C ATOM 819 O GLY A 55 -0.819 -1.326 3.531 1.00 0.00 O ATOM 0 H GLY A 55 -2.284 -1.092 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.917 -2.326 3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.510 -0.633 3.301 1.00 0.00 H new ATOM 823 N ALA A 56 -1.811 -2.989 2.384 1.00 0.00 N ATOM 824 CA ALA A 56 -0.572 -3.461 1.779 1.00 0.00 C ATOM 825 C ALA A 56 -0.376 -2.846 0.399 1.00 0.00 C ATOM 826 O ALA A 56 -1.343 -2.607 -0.326 1.00 0.00 O ATOM 827 CB ALA A 56 -0.572 -4.981 1.693 1.00 0.00 C ATOM 0 H ALA A 56 -2.640 -3.518 2.114 1.00 0.00 H new ATOM 0 HA ALA A 56 0.260 -3.149 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.359 -5.320 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.662 -5.402 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.414 -5.311 1.084 1.00 0.00 H new ATOM 833 N PHE A 57 0.876 -2.583 0.039 1.00 0.00 N ATOM 834 CA PHE A 57 1.183 -1.990 -1.256 1.00 0.00 C ATOM 835 C PHE A 57 2.365 -2.686 -1.921 1.00 0.00 C ATOM 836 O PHE A 57 3.396 -2.926 -1.292 1.00 0.00 O ATOM 837 CB PHE A 57 1.478 -0.496 -1.099 1.00 0.00 C ATOM 838 CG PHE A 57 0.280 0.378 -1.332 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.815 0.315 -0.486 1.00 0.00 C ATOM 840 CD2 PHE A 57 0.249 1.261 -2.399 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.920 1.117 -0.699 1.00 0.00 C ATOM 842 CE2 PHE A 57 -0.853 2.067 -2.616 1.00 0.00 C ATOM 843 CZ PHE A 57 -1.939 1.994 -1.767 1.00 0.00 C ATOM 0 H PHE A 57 1.691 -2.770 0.623 1.00 0.00 H new ATOM 0 HA PHE A 57 0.310 -2.119 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.862 -0.313 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.265 -0.214 -1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.805 -0.369 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.095 1.320 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.767 1.059 -0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.864 2.754 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.802 2.621 -1.937 1.00 0.00 H new ATOM 853 N GLY A 58 2.204 -3.002 -3.202 1.00 0.00 N ATOM 854 CA GLY A 58 3.258 -3.662 -3.949 1.00 0.00 C ATOM 855 C GLY A 58 3.224 -3.293 -5.418 1.00 0.00 C ATOM 856 O GLY A 58 2.197 -3.448 -6.078 1.00 0.00 O ATOM 0 H GLY A 58 1.357 -2.811 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.226 -3.390 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.157 -4.742 -3.843 1.00 0.00 H new ATOM 860 N GLY A 59 4.345 -2.798 -5.935 1.00 0.00 N ATOM 861 CA GLY A 59 4.398 -2.409 -7.333 1.00 0.00 C ATOM 862 C GLY A 59 5.646 -2.904 -8.037 1.00 0.00 C ATOM 863 O GLY A 59 6.617 -3.304 -7.395 1.00 0.00 O ATOM 0 H GLY A 59 5.212 -2.660 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.519 -2.798 -7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.354 -1.322 -7.404 1.00 0.00 H new ATOM 867 N TYR A 60 5.615 -2.871 -9.367 1.00 0.00 N ATOM 868 CA TYR A 60 6.746 -3.314 -10.173 1.00 0.00 C ATOM 869 C TYR A 60 6.891 -2.447 -11.419 1.00 0.00 C ATOM 870 O TYR A 60 5.910 -2.161 -12.109 1.00 0.00 O ATOM 871 CB TYR A 60 6.569 -4.780 -10.574 1.00 0.00 C ATOM 872 CG TYR A 60 5.300 -5.047 -11.352 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.261 -4.888 -12.731 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.141 -5.459 -10.706 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.104 -5.130 -13.446 1.00 0.00 C ATOM 876 CE2 TYR A 60 2.979 -5.704 -11.413 1.00 0.00 C ATOM 877 CZ TYR A 60 2.966 -5.539 -12.783 1.00 0.00 C ATOM 878 OH TYR A 60 1.810 -5.779 -13.491 1.00 0.00 O ATOM 0 H TYR A 60 4.816 -2.541 -9.909 1.00 0.00 H new ATOM 0 HA TYR A 60 7.652 -3.217 -9.574 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.425 -5.089 -11.174 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.570 -5.396 -9.675 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.151 -4.570 -13.254 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.148 -5.590 -9.634 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.091 -5.000 -14.518 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.086 -6.023 -10.896 1.00 0.00 H new ATOM 0 HH TYR A 60 1.456 -4.933 -13.837 1.00 0.00 H new ATOM 888 N GLN A 61 8.120 -2.028 -11.702 1.00 0.00 N ATOM 889 CA GLN A 61 8.394 -1.190 -12.863 1.00 0.00 C ATOM 890 C GLN A 61 8.721 -2.046 -14.083 1.00 0.00 C ATOM 891 O GLN A 61 9.463 -3.024 -13.986 1.00 0.00 O ATOM 892 CB GLN A 61 9.551 -0.233 -12.566 1.00 0.00 C ATOM 893 CG GLN A 61 9.195 1.231 -12.769 1.00 0.00 C ATOM 894 CD GLN A 61 9.691 1.773 -14.095 1.00 0.00 C ATOM 895 OE1 GLN A 61 10.402 1.090 -14.832 1.00 0.00 O ATOM 896 NE2 GLN A 61 9.320 3.010 -14.404 1.00 0.00 N ATOM 0 H GLN A 61 8.942 -2.255 -11.143 1.00 0.00 H new ATOM 0 HA GLN A 61 7.500 -0.606 -13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.878 -0.380 -11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.395 -0.486 -13.208 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.113 1.349 -12.714 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.621 1.821 -11.957 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.730 3.540 -13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.625 3.430 -15.282 1.00 0.00 H new ATOM 970 N LEU A 66 6.861 4.451 -16.009 1.00 0.00 N ATOM 971 CA LEU A 66 5.964 4.179 -14.890 1.00 0.00 C ATOM 972 C LEU A 66 5.818 2.681 -14.648 1.00 0.00 C ATOM 973 O LEU A 66 6.164 1.864 -15.503 1.00 0.00 O ATOM 974 CB LEU A 66 4.591 4.796 -15.162 1.00 0.00 C ATOM 975 CG LEU A 66 4.024 4.519 -16.557 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.851 3.554 -16.481 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.606 5.818 -17.232 1.00 0.00 C ATOM 0 HA LEU A 66 6.396 4.627 -13.995 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.887 4.422 -14.419 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.659 5.875 -15.021 1.00 0.00 H new ATOM 0 HG LEU A 66 4.807 4.056 -17.157 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.464 3.372 -17.484 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.182 2.612 -16.043 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.065 3.985 -15.862 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.206 5.601 -18.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.841 6.311 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.471 6.474 -17.326 1.00 0.00 H new ATOM 989 N GLY A 67 5.301 2.327 -13.474 1.00 0.00 N ATOM 990 CA GLY A 67 5.112 0.929 -13.134 1.00 0.00 C ATOM 991 C GLY A 67 3.726 0.653 -12.584 1.00 0.00 C ATOM 992 O GLY A 67 2.924 1.571 -12.416 1.00 0.00 O ATOM 0 H GLY A 67 5.009 2.986 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.278 0.316 -14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.859 0.632 -12.397 1.00 0.00 H new ATOM 996 N PHE A 68 3.444 -0.616 -12.301 1.00 0.00 N ATOM 997 CA PHE A 68 2.144 -1.008 -11.766 1.00 0.00 C ATOM 998 C PHE A 68 2.208 -1.158 -10.250 1.00 0.00 C ATOM 999 O PHE A 68 3.206 -1.632 -9.708 1.00 0.00 O ATOM 1000 CB PHE A 68 1.682 -2.319 -12.406 1.00 0.00 C ATOM 1001 CG PHE A 68 0.498 -2.156 -13.317 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.712 -1.691 -12.827 1.00 0.00 C ATOM 1003 CD2 PHE A 68 0.595 -2.468 -14.664 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.802 -1.540 -13.663 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -0.491 -2.320 -15.504 1.00 0.00 C ATOM 1006 CZ PHE A 68 -1.692 -1.855 -15.004 1.00 0.00 C ATOM 0 H PHE A 68 4.097 -1.389 -12.433 1.00 0.00 H new ATOM 0 HA PHE A 68 1.424 -0.225 -12.005 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.509 -2.750 -12.971 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.430 -3.029 -11.619 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.804 -1.444 -11.780 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.531 -2.831 -15.061 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.739 -1.176 -13.269 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.402 -2.568 -16.551 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.542 -1.738 -15.659 1.00 0.00 H new ATOM 1016 N GLU A 69 1.141 -0.752 -9.568 1.00 0.00 N ATOM 1017 CA GLU A 69 1.088 -0.845 -8.115 1.00 0.00 C ATOM 1018 C GLU A 69 -0.234 -1.449 -7.652 1.00 0.00 C ATOM 1019 O GLU A 69 -1.307 -0.918 -7.939 1.00 0.00 O ATOM 1020 CB GLU A 69 1.278 0.537 -7.487 1.00 0.00 C ATOM 1021 CG GLU A 69 2.096 0.515 -6.208 1.00 0.00 C ATOM 1022 CD GLU A 69 2.336 1.904 -5.644 1.00 0.00 C ATOM 1023 OE1 GLU A 69 1.362 2.677 -5.538 1.00 0.00 O ATOM 1024 OE2 GLU A 69 3.499 2.214 -5.310 1.00 0.00 O ATOM 0 H GLU A 69 0.305 -0.357 -9.998 1.00 0.00 H new ATOM 0 HA GLU A 69 1.897 -1.499 -7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.766 1.191 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.300 0.969 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.582 -0.092 -5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.055 0.035 -6.403 1.00 0.00 H new ATOM 1031 N MET A 70 -0.146 -2.560 -6.930 1.00 0.00 N ATOM 1032 CA MET A 70 -1.332 -3.237 -6.419 1.00 0.00 C ATOM 1033 C MET A 70 -1.482 -2.990 -4.922 1.00 0.00 C ATOM 1034 O MET A 70 -0.538 -3.177 -4.155 1.00 0.00 O ATOM 1035 CB MET A 70 -1.253 -4.739 -6.700 1.00 0.00 C ATOM 1036 CG MET A 70 -0.125 -5.442 -5.960 1.00 0.00 C ATOM 1037 SD MET A 70 0.960 -6.373 -7.060 1.00 0.00 S ATOM 1038 CE MET A 70 1.522 -7.672 -5.962 1.00 0.00 C ATOM 0 H MET A 70 0.735 -3.012 -6.685 1.00 0.00 H new ATOM 0 HA MET A 70 -2.206 -2.832 -6.929 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.200 -5.202 -6.424 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.124 -4.893 -7.771 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.464 -4.702 -5.417 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.550 -6.118 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.203 -8.332 -6.498 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.040 -7.230 -5.111 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.665 -8.245 -5.608 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.671 -2.563 -4.514 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.916 -2.292 -3.109 1.00 0.00 C ATOM 1050 C GLY A 71 -3.852 -3.301 -2.475 1.00 0.00 C ATOM 1051 O GLY A 71 -4.639 -3.948 -3.164 1.00 0.00 O ATOM 0 H GLY A 71 -3.468 -2.400 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.968 -2.294 -2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.340 -1.293 -3.004 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.766 -3.432 -1.156 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.613 -4.367 -0.425 1.00 0.00 C ATOM 1057 C TYR A 72 -5.270 -3.674 0.763 1.00 0.00 C ATOM 1058 O TYR A 72 -4.592 -3.245 1.695 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.792 -5.564 0.057 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.499 -6.575 -1.029 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.524 -7.307 -1.617 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.200 -6.796 -1.467 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -4.261 -8.231 -2.611 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.929 -7.718 -2.460 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.963 -8.432 -3.029 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.698 -9.352 -4.017 1.00 0.00 O ATOM 0 H TYR A 72 -3.119 -2.903 -0.571 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.393 -4.723 -1.099 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.850 -5.205 0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.328 -6.059 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.542 -7.151 -1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.388 -6.238 -1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.068 -8.792 -3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.913 -7.879 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.735 -9.372 -4.196 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.594 -3.564 0.723 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.341 -2.918 1.795 1.00 0.00 C ATOM 1078 C ASP A 73 -7.723 -3.919 2.882 1.00 0.00 C ATOM 1079 O ASP A 73 -8.421 -4.900 2.618 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.597 -2.245 1.239 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.800 -0.848 1.793 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -9.262 -0.730 2.948 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -8.496 0.127 1.075 1.00 0.00 O ATOM 0 H ASP A 73 -7.172 -3.914 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.698 -2.159 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.528 -2.195 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.468 -2.856 1.475 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.262 -3.660 4.103 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.555 -4.532 5.234 1.00 0.00 C ATOM 1090 C TRP A 74 -7.861 -3.715 6.486 1.00 0.00 C ATOM 1091 O TRP A 74 -7.023 -2.948 6.962 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.379 -5.473 5.499 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.758 -6.690 6.285 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -6.141 -7.167 7.405 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -7.840 -7.585 6.010 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -6.774 -8.304 7.845 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -7.820 -8.582 7.004 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -8.825 -7.643 5.020 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -8.747 -9.621 7.038 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -9.745 -8.674 5.053 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -9.700 -9.651 6.056 1.00 0.00 C ATOM 0 H TRP A 74 -6.684 -2.852 4.333 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.435 -5.125 4.985 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.950 -5.784 4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.602 -4.929 6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.280 -6.716 7.877 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.509 -8.852 8.664 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.867 -6.895 4.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -8.715 -10.375 7.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -10.511 -8.727 4.293 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.433 -10.445 6.054 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.778 -9.091 1.236 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.453 -8.480 1.204 1.00 0.00 C ATOM 1363 C GLN A 92 -10.387 -7.394 0.134 1.00 0.00 C ATOM 1364 O GLN A 92 -10.880 -7.575 -0.979 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.384 -9.543 0.939 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.131 -9.367 1.781 1.00 0.00 C ATOM 1367 CD GLN A 92 -7.172 -8.350 1.195 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -6.662 -8.527 0.089 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -6.920 -7.277 1.936 1.00 0.00 N ATOM 0 HA GLN A 92 -10.264 -8.023 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.807 -10.529 1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.110 -9.516 -0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.414 -9.056 2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.623 -10.327 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.365 -7.171 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.281 -6.559 1.593 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.777 -6.264 0.479 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.666 -5.169 -0.466 1.00 0.00 C ATOM 1380 C GLY A 93 -8.536 -5.365 -1.457 1.00 0.00 C ATOM 1381 O GLY A 93 -7.397 -5.623 -1.067 1.00 0.00 O ATOM 0 H GLY A 93 -9.359 -6.088 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.606 -5.066 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.509 -4.238 0.079 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.851 -5.235 -2.742 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.854 -5.390 -3.797 1.00 0.00 C ATOM 1387 C VAL A 94 -7.823 -4.149 -4.683 1.00 0.00 C ATOM 1388 O VAL A 94 -8.821 -3.806 -5.318 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.120 -6.639 -4.671 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.200 -7.780 -4.264 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.578 -7.072 -4.585 1.00 0.00 C ATOM 0 H VAL A 94 -9.790 -5.022 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.889 -5.520 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.910 -6.374 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.401 -8.650 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.162 -7.473 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.377 -8.035 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.734 -7.952 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.826 -7.313 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.219 -6.262 -4.933 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.680 -3.472 -4.710 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.534 -2.258 -5.505 1.00 0.00 C ATOM 1403 C GLN A 95 -5.601 -2.470 -6.693 1.00 0.00 C ATOM 1404 O GLN A 95 -4.592 -3.169 -6.593 1.00 0.00 O ATOM 1405 CB GLN A 95 -6.008 -1.117 -4.632 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.816 -0.899 -3.364 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.150 0.071 -2.407 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -6.101 -0.165 -1.199 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.633 1.169 -2.944 1.00 0.00 N ATOM 0 H GLN A 95 -5.844 -3.742 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.519 -1.998 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.973 -1.325 -4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.006 -0.196 -5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.804 -0.522 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.963 -1.855 -2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.697 1.323 -3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.172 1.859 -2.350 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.948 -1.845 -7.813 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.157 -1.936 -9.035 1.00 0.00 C ATOM 1420 C LEU A 96 -4.882 -0.533 -9.569 1.00 0.00 C ATOM 1421 O LEU A 96 -5.800 0.153 -10.024 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.906 -2.772 -10.079 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.301 -2.771 -11.487 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.219 -4.187 -12.036 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.121 -1.888 -12.418 1.00 0.00 C ATOM 0 H LEU A 96 -6.782 -1.264 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.206 -2.424 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.956 -3.802 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.931 -2.407 -10.143 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.291 -2.367 -11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.787 -4.165 -13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.592 -4.795 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.219 -4.618 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.678 -1.899 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.142 -2.265 -12.472 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.131 -0.867 -12.036 1.00 0.00 H new ATOM 1437 N THR A 97 -3.628 -0.095 -9.491 1.00 0.00 N ATOM 1438 CA THR A 97 -3.273 1.243 -9.951 1.00 0.00 C ATOM 1439 C THR A 97 -1.853 1.293 -10.502 1.00 0.00 C ATOM 1440 O THR A 97 -1.106 0.318 -10.430 1.00 0.00 O ATOM 1441 CB THR A 97 -3.406 2.241 -8.796 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.264 2.189 -7.958 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.624 2.004 -7.928 1.00 0.00 C ATOM 0 H THR A 97 -2.850 -0.640 -9.118 1.00 0.00 H new ATOM 0 HA THR A 97 -3.958 1.508 -10.756 1.00 0.00 H new ATOM 0 HB THR A 97 -3.508 3.217 -9.271 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.989 1.256 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.653 2.747 -7.131 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.525 2.087 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.571 1.007 -7.492 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.490 2.452 -11.044 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.160 2.660 -11.601 1.00 0.00 C ATOM 1453 C ALA A 98 0.624 3.648 -10.744 1.00 0.00 C ATOM 1454 O ALA A 98 0.093 4.679 -10.330 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.257 3.160 -13.036 1.00 0.00 C ATOM 0 H ALA A 98 -2.103 3.265 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 98 0.369 1.707 -11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.745 3.310 -13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.784 2.424 -13.643 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.801 4.104 -13.056 1.00 0.00 H new ATOM 1461 N LYS A 99 1.883 3.323 -10.469 1.00 0.00 N ATOM 1462 CA LYS A 99 2.728 4.182 -9.648 1.00 0.00 C ATOM 1463 C LYS A 99 3.862 4.791 -10.463 1.00 0.00 C ATOM 1464 O LYS A 99 4.559 4.091 -11.200 1.00 0.00 O ATOM 1465 CB LYS A 99 3.302 3.391 -8.471 1.00 0.00 C ATOM 1466 CG LYS A 99 4.167 2.214 -8.894 1.00 0.00 C ATOM 1467 CD LYS A 99 5.644 2.488 -8.651 1.00 0.00 C ATOM 1468 CE LYS A 99 6.493 2.066 -9.840 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.752 2.855 -9.932 1.00 0.00 N ATOM 0 H LYS A 99 2.339 2.474 -10.802 1.00 0.00 H new ATOM 0 HA LYS A 99 2.107 4.994 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.894 4.061 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.481 3.025 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.866 1.324 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.005 2.004 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.791 3.550 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.972 1.953 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.734 1.006 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.919 2.190 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.049 2.921 -10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.591 3.811 -9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.497 2.385 -9.379 1.00 0.00 H new ATOM 1483 N LEU A 100 4.047 6.100 -10.319 1.00 0.00 N ATOM 1484 CA LEU A 100 5.102 6.808 -11.035 1.00 0.00 C ATOM 1485 C LEU A 100 5.885 7.708 -10.084 1.00 0.00 C ATOM 1486 O LEU A 100 5.301 8.459 -9.303 1.00 0.00 O ATOM 1487 CB LEU A 100 4.514 7.636 -12.182 1.00 0.00 C ATOM 1488 CG LEU A 100 3.757 8.897 -11.759 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.692 10.097 -11.736 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.585 9.154 -12.696 1.00 0.00 C ATOM 0 H LEU A 100 3.479 6.692 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 100 5.784 6.068 -11.454 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.324 7.926 -12.851 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.838 7.002 -12.756 1.00 0.00 H new ATOM 0 HG LEU A 100 3.367 8.744 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.137 10.985 -11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.500 9.915 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.110 10.252 -12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.058 10.054 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.954 9.287 -13.713 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.902 8.305 -12.666 1.00 0.00 H new ATOM 1502 N GLY A 101 7.211 7.623 -10.149 1.00 0.00 N ATOM 1503 CA GLY A 101 8.046 8.436 -9.283 1.00 0.00 C ATOM 1504 C GLY A 101 9.494 8.469 -9.734 1.00 0.00 C ATOM 1505 O GLY A 101 9.833 7.939 -10.791 1.00 0.00 O ATOM 0 H GLY A 101 7.720 7.008 -10.784 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.654 9.453 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.995 8.048 -8.266 1.00 0.00 H new ATOM 1509 N TYR A 102 10.346 9.096 -8.928 1.00 0.00 N ATOM 1510 CA TYR A 102 11.766 9.199 -9.251 1.00 0.00 C ATOM 1511 C TYR A 102 12.574 9.632 -8.028 1.00 0.00 C ATOM 1512 O TYR A 102 12.065 10.337 -7.154 1.00 0.00 O ATOM 1513 CB TYR A 102 11.976 10.195 -10.395 1.00 0.00 C ATOM 1514 CG TYR A 102 12.908 9.692 -11.476 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.569 8.593 -12.255 1.00 0.00 C ATOM 1516 CD2 TYR A 102 14.124 10.318 -11.717 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.417 8.132 -13.244 1.00 0.00 C ATOM 1518 CE2 TYR A 102 14.978 9.863 -12.704 1.00 0.00 C ATOM 1519 CZ TYR A 102 14.620 8.770 -13.464 1.00 0.00 C ATOM 1520 OH TYR A 102 15.466 8.314 -14.448 1.00 0.00 O ATOM 0 H TYR A 102 10.079 9.539 -8.049 1.00 0.00 H new ATOM 0 HA TYR A 102 12.116 8.215 -9.564 1.00 0.00 H new ATOM 0 HB2 TYR A 102 11.010 10.431 -10.841 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.374 11.124 -9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 102 11.628 8.091 -12.085 1.00 0.00 H new ATOM 0 HD2 TYR A 102 14.407 11.175 -11.123 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.139 7.276 -13.842 1.00 0.00 H new ATOM 0 HE2 TYR A 102 15.920 10.361 -12.879 1.00 0.00 H new ATOM 0 HH TYR A 102 16.270 8.874 -14.474 1.00 0.00 H new ATOM 1530 N PRO A 103 13.853 9.215 -7.948 1.00 0.00 N ATOM 1531 CA PRO A 103 14.733 9.566 -6.827 1.00 0.00 C ATOM 1532 C PRO A 103 14.931 11.072 -6.703 1.00 0.00 C ATOM 1533 O PRO A 103 14.612 11.826 -7.623 1.00 0.00 O ATOM 1534 CB PRO A 103 16.061 8.883 -7.173 1.00 0.00 C ATOM 1535 CG PRO A 103 15.711 7.834 -8.173 1.00 0.00 C ATOM 1536 CD PRO A 103 14.540 8.372 -8.941 1.00 0.00 C ATOM 0 HA PRO A 103 14.316 9.247 -5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.775 9.596 -7.584 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.521 8.445 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.552 7.630 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.457 6.895 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.857 8.949 -9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.896 7.573 -9.307 1.00 0.00 H new ATOM 1601 N LEU A 108 16.118 8.511 -1.542 1.00 0.00 N ATOM 1602 CA LEU A 108 14.866 9.216 -1.294 1.00 0.00 C ATOM 1603 C LEU A 108 14.191 9.561 -2.616 1.00 0.00 C ATOM 1604 O LEU A 108 14.749 10.294 -3.431 1.00 0.00 O ATOM 1605 CB LEU A 108 15.119 10.490 -0.473 1.00 0.00 C ATOM 1606 CG LEU A 108 16.593 10.857 -0.264 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.735 12.320 0.124 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.224 9.962 0.793 1.00 0.00 C ATOM 0 HA LEU A 108 14.205 8.565 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.621 11.325 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.650 10.371 0.504 1.00 0.00 H new ATOM 0 HG LEU A 108 17.118 10.701 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.789 12.558 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.326 12.948 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.192 12.505 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.270 10.238 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.693 10.084 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.162 8.922 0.473 1.00 0.00 H new ATOM 1620 N ASP A 109 12.999 9.016 -2.839 1.00 0.00 N ATOM 1621 CA ASP A 109 12.276 9.265 -4.082 1.00 0.00 C ATOM 1622 C ASP A 109 10.823 9.656 -3.830 1.00 0.00 C ATOM 1623 O ASP A 109 10.268 9.384 -2.765 1.00 0.00 O ATOM 1624 CB ASP A 109 12.330 8.023 -4.977 1.00 0.00 C ATOM 1625 CG ASP A 109 11.564 6.851 -4.391 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.318 6.861 -4.466 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.211 5.925 -3.858 1.00 0.00 O ATOM 0 H ASP A 109 12.516 8.404 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 109 12.763 10.102 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.920 8.267 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.370 7.734 -5.129 1.00 0.00 H new ATOM 1632 N ILE A 110 10.214 10.284 -4.831 1.00 0.00 N ATOM 1633 CA ILE A 110 8.821 10.709 -4.748 1.00 0.00 C ATOM 1634 C ILE A 110 7.982 9.965 -5.784 1.00 0.00 C ATOM 1635 O ILE A 110 8.441 9.729 -6.902 1.00 0.00 O ATOM 1636 CB ILE A 110 8.685 12.231 -4.973 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.996 12.594 -6.430 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.607 12.991 -4.028 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.775 13.007 -7.223 1.00 0.00 C ATOM 0 H ILE A 110 10.668 10.511 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 110 8.460 10.474 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 110 7.655 12.518 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.722 13.407 -6.447 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.464 11.739 -6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.500 14.062 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.342 12.759 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.640 12.696 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.069 13.250 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.056 12.188 -7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.319 13.882 -6.759 1.00 0.00 H new ATOM 1651 N TYR A 111 6.760 9.583 -5.419 1.00 0.00 N ATOM 1652 CA TYR A 111 5.901 8.857 -6.347 1.00 0.00 C ATOM 1653 C TYR A 111 4.426 9.008 -5.994 1.00 0.00 C ATOM 1654 O TYR A 111 4.074 9.346 -4.864 1.00 0.00 O ATOM 1655 CB TYR A 111 6.279 7.375 -6.368 1.00 0.00 C ATOM 1656 CG TYR A 111 6.003 6.657 -5.065 1.00 0.00 C ATOM 1657 CD1 TYR A 111 6.850 6.803 -3.975 1.00 0.00 C ATOM 1658 CD2 TYR A 111 4.891 5.833 -4.927 1.00 0.00 C ATOM 1659 CE1 TYR A 111 6.601 6.147 -2.784 1.00 0.00 C ATOM 1660 CE2 TYR A 111 4.634 5.176 -3.739 1.00 0.00 C ATOM 1661 CZ TYR A 111 5.492 5.335 -2.671 1.00 0.00 C ATOM 1662 OH TYR A 111 5.239 4.682 -1.487 1.00 0.00 O ATOM 0 H TYR A 111 6.349 9.761 -4.503 1.00 0.00 H new ATOM 0 HA TYR A 111 6.053 9.288 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.729 6.880 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.339 7.283 -6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.718 7.440 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.218 5.705 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.271 6.270 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 111 3.765 4.541 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 111 4.419 4.152 -1.574 1.00 0.00 H new ATOM 1672 N THR A 112 3.572 8.742 -6.977 1.00 0.00 N ATOM 1673 CA THR A 112 2.129 8.830 -6.794 1.00 0.00 C ATOM 1674 C THR A 112 1.443 7.655 -7.482 1.00 0.00 C ATOM 1675 O THR A 112 1.954 7.123 -8.469 1.00 0.00 O ATOM 1676 CB THR A 112 1.598 10.151 -7.353 1.00 0.00 C ATOM 1677 OG1 THR A 112 0.209 10.279 -7.104 1.00 0.00 O ATOM 1678 CG2 THR A 112 1.812 10.300 -8.843 1.00 0.00 C ATOM 0 H THR A 112 3.858 8.462 -7.915 1.00 0.00 H new ATOM 0 HA THR A 112 1.910 8.793 -5.727 1.00 0.00 H new ATOM 0 HB THR A 112 2.165 10.929 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.195 10.850 -7.790 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.412 11.259 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.879 10.256 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.300 9.493 -9.367 1.00 0.00 H new ATOM 1686 N ARG A 113 0.293 7.248 -6.957 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.445 6.127 -7.528 1.00 0.00 C ATOM 1688 C ARG A 113 -1.843 6.546 -7.973 1.00 0.00 C ATOM 1689 O ARG A 113 -2.607 7.126 -7.200 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.543 4.985 -6.515 1.00 0.00 C ATOM 1691 CG ARG A 113 -1.092 5.415 -5.163 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.425 4.749 -4.861 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.714 4.731 -3.431 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.937 4.598 -2.921 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -4.988 4.466 -3.721 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -4.109 4.596 -1.606 1.00 0.00 N ATOM 0 H ARG A 113 -0.147 7.674 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 113 0.102 5.785 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.181 4.201 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.446 4.550 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.374 5.164 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.214 6.498 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.221 5.277 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.415 3.728 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.932 4.826 -2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.862 4.466 -4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.922 4.365 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.305 4.696 -0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.045 4.494 -1.214 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.171 6.230 -9.223 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.479 6.554 -9.785 1.00 0.00 C ATOM 1712 C LEU A 114 -4.135 5.297 -10.346 1.00 0.00 C ATOM 1713 O LEU A 114 -3.567 4.622 -11.206 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.342 7.614 -10.888 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.639 7.966 -11.624 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.648 9.436 -12.028 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.817 7.077 -12.847 1.00 0.00 C ATOM 0 H LEU A 114 -1.546 5.748 -9.869 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.107 6.957 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.936 8.524 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.613 7.262 -11.618 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.474 7.792 -10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.578 9.664 -12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.569 10.059 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.804 9.637 -12.687 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.743 7.341 -13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.976 7.219 -13.525 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.860 6.033 -12.535 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.329 4.978 -9.851 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.029 3.795 -10.319 1.00 0.00 C ATOM 1731 C GLY A 115 -7.374 3.607 -9.645 1.00 0.00 C ATOM 1732 O GLY A 115 -8.092 4.576 -9.400 1.00 0.00 O ATOM 0 H GLY A 115 -5.822 5.515 -9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.174 3.866 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.410 2.916 -10.138 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.720 2.356 -9.347 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.989 2.077 -8.704 1.00 0.00 C ATOM 1738 C GLY A 116 -8.895 0.967 -7.676 1.00 0.00 C ATOM 1739 O GLY A 116 -7.885 0.267 -7.597 1.00 0.00 O ATOM 0 H GLY A 116 -7.145 1.536 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.353 2.984 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.723 1.803 -9.462 1.00 0.00 H new ATOM 1743 N MET A 117 -9.949 0.811 -6.883 1.00 0.00 N ATOM 1744 CA MET A 117 -9.987 -0.218 -5.851 1.00 0.00 C ATOM 1745 C MET A 117 -11.236 -1.084 -5.992 1.00 0.00 C ATOM 1746 O MET A 117 -12.315 -0.586 -6.324 1.00 0.00 O ATOM 1747 CB MET A 117 -9.947 0.421 -4.463 1.00 0.00 C ATOM 1748 CG MET A 117 -11.135 1.324 -4.174 1.00 0.00 C ATOM 1749 SD MET A 117 -11.251 1.782 -2.433 1.00 0.00 S ATOM 1750 CE MET A 117 -9.544 2.189 -2.076 1.00 0.00 C ATOM 0 H MET A 117 -10.790 1.385 -6.935 1.00 0.00 H new ATOM 0 HA MET A 117 -9.111 -0.855 -5.974 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.909 -0.367 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.029 1.000 -4.365 1.00 0.00 H new ATOM 0 HG2 MET A 117 -11.056 2.227 -4.779 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.053 0.818 -4.475 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.508 3.035 -1.390 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.053 1.330 -1.619 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.031 2.450 -3.002 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.081 -2.379 -5.733 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.192 -3.319 -5.827 1.00 0.00 C ATOM 1762 C VAL A 118 -12.374 -4.075 -4.516 1.00 0.00 C ATOM 1763 O VAL A 118 -11.399 -4.399 -3.835 1.00 0.00 O ATOM 1764 CB VAL A 118 -11.984 -4.339 -6.967 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.323 -4.882 -7.444 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.214 -3.716 -8.125 1.00 0.00 C ATOM 0 H VAL A 118 -10.195 -2.801 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.084 -2.731 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.392 -5.167 -6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.159 -5.600 -8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.832 -5.375 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.939 -4.061 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.082 -4.456 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.771 -2.865 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.238 -3.381 -7.774 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.624 -4.356 -4.163 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.925 -5.073 -2.929 1.00 0.00 C ATOM 1778 C TRP A 119 -15.127 -5.994 -3.112 1.00 0.00 C ATOM 1779 O TRP A 119 -16.035 -5.699 -3.890 1.00 0.00 O ATOM 1780 CB TRP A 119 -14.194 -4.084 -1.793 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.936 -4.653 -0.430 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.256 -5.799 -0.133 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.356 -4.099 0.824 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -13.227 -5.993 1.228 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -13.894 -4.962 1.836 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -15.075 -2.957 1.187 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -14.132 -4.719 3.187 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -15.309 -2.716 2.528 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -14.838 -3.593 3.514 1.00 0.00 C ATOM 0 H TRP A 119 -14.444 -4.099 -4.713 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.059 -5.684 -2.673 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.569 -3.202 -1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.231 -3.752 -1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.806 -6.458 -0.861 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.782 -6.776 1.707 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.441 -2.275 0.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -13.772 -5.395 3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -15.864 -1.837 2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.036 -3.376 4.553 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.497 -1.041 -6.013 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.517 -0.572 -6.984 1.00 0.00 C ATOM 2093 C VAL A 141 -15.505 0.953 -7.055 1.00 0.00 C ATOM 2094 O VAL A 141 -16.540 1.579 -7.282 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.803 -1.142 -8.387 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.178 -0.710 -8.874 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.724 -0.716 -9.373 1.00 0.00 C ATOM 0 HA VAL A 141 -14.541 -0.925 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.792 -2.230 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.359 -1.123 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.939 -1.075 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.222 0.378 -8.921 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.946 -1.130 -10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.696 0.372 -9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.756 -1.085 -9.035 1.00 0.00 H new ATOM 2107 N SER A 142 -14.330 1.545 -6.859 1.00 0.00 N ATOM 2108 CA SER A 142 -14.198 2.998 -6.901 1.00 0.00 C ATOM 2109 C SER A 142 -12.762 3.417 -7.213 1.00 0.00 C ATOM 2110 O SER A 142 -11.811 2.727 -6.843 1.00 0.00 O ATOM 2111 CB SER A 142 -14.639 3.608 -5.570 1.00 0.00 C ATOM 2112 OG SER A 142 -14.206 2.816 -4.477 1.00 0.00 O ATOM 0 H SER A 142 -13.461 1.045 -6.671 1.00 0.00 H new ATOM 0 HA SER A 142 -14.842 3.368 -7.699 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.234 4.615 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.725 3.698 -5.550 1.00 0.00 H new ATOM 0 HG SER A 142 -14.499 3.228 -3.638 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.588 4.562 -7.897 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.263 5.076 -8.255 1.00 0.00 C ATOM 2120 C PRO A 143 -10.556 5.718 -7.065 1.00 0.00 C ATOM 2121 O PRO A 143 -11.197 6.120 -6.095 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.578 6.127 -9.320 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.938 6.621 -8.966 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.670 5.447 -8.373 1.00 0.00 C ATOM 0 HA PRO A 143 -10.591 4.289 -8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.847 6.935 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.561 5.696 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.880 7.444 -8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.457 6.998 -9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.324 5.754 -7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.296 4.950 -9.114 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.231 5.811 -7.144 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.448 6.406 -6.067 1.00 0.00 C ATOM 2134 C VAL A 144 -7.112 6.939 -6.575 1.00 0.00 C ATOM 2135 O VAL A 144 -6.580 6.465 -7.579 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.183 5.392 -4.938 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.491 4.928 -4.315 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.384 4.206 -5.459 1.00 0.00 C ATOM 0 H VAL A 144 -8.681 5.484 -7.938 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.039 7.234 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.595 5.887 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.282 4.212 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.021 5.786 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.109 4.453 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.207 3.501 -4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.943 3.711 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.429 4.555 -5.851 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.575 7.924 -5.863 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.298 8.529 -6.222 1.00 0.00 C ATOM 2150 C PHE A 145 -4.568 9.013 -4.972 1.00 0.00 C ATOM 2151 O PHE A 145 -5.068 9.871 -4.245 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.518 9.696 -7.187 1.00 0.00 C ATOM 2153 CG PHE A 145 -4.254 10.420 -7.558 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -3.249 9.773 -8.258 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.074 11.748 -7.208 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -2.086 10.436 -8.601 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -2.913 12.418 -7.548 1.00 0.00 C ATOM 2158 CZ PHE A 145 -1.918 11.761 -8.246 1.00 0.00 C ATOM 0 H PHE A 145 -7.007 8.322 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.684 7.775 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -5.991 9.321 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -6.212 10.404 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.376 8.738 -8.539 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.849 12.266 -6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -1.310 9.919 -9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -2.784 13.453 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 145 -1.011 12.282 -8.514 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.387 8.456 -4.722 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.600 8.837 -3.554 1.00 0.00 C ATOM 2170 C ALA A 146 -1.167 9.180 -3.939 1.00 0.00 C ATOM 2171 O ALA A 146 -0.608 8.606 -4.874 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.620 7.721 -2.521 1.00 0.00 C ATOM 0 H ALA A 146 -2.955 7.743 -5.309 1.00 0.00 H new ATOM 0 HA ALA A 146 -3.050 9.730 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.029 8.017 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.648 7.530 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.197 6.815 -2.956 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.574 10.118 -3.208 1.00 0.00 N ATOM 2179 CA GLY A 147 0.793 10.522 -3.480 1.00 0.00 C ATOM 2180 C GLY A 147 1.633 10.570 -2.222 1.00 0.00 C ATOM 2181 O GLY A 147 1.134 10.913 -1.150 1.00 0.00 O ATOM 0 H GLY A 147 -1.017 10.607 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.242 9.826 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.793 11.504 -3.953 1.00 0.00 H new ATOM 2185 N GLY A 148 2.911 10.224 -2.343 1.00 0.00 N ATOM 2186 CA GLY A 148 3.785 10.237 -1.188 1.00 0.00 C ATOM 2187 C GLY A 148 5.251 10.178 -1.561 1.00 0.00 C ATOM 2188 O GLY A 148 5.610 10.289 -2.734 1.00 0.00 O ATOM 0 H GLY A 148 3.353 9.937 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.599 11.140 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.544 9.390 -0.546 1.00 0.00 H new ATOM 2192 N VAL A 149 6.100 10.000 -0.554 1.00 0.00 N ATOM 2193 CA VAL A 149 7.537 9.926 -0.773 1.00 0.00 C ATOM 2194 C VAL A 149 8.133 8.698 -0.095 1.00 0.00 C ATOM 2195 O VAL A 149 7.636 8.245 0.937 1.00 0.00 O ATOM 2196 CB VAL A 149 8.252 11.191 -0.258 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.065 12.343 -1.233 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.745 11.564 1.128 1.00 0.00 C ATOM 0 H VAL A 149 5.816 9.905 0.421 1.00 0.00 H new ATOM 0 HA VAL A 149 7.690 9.850 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 149 9.319 10.980 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.576 13.228 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.482 12.071 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.002 12.558 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.261 12.459 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.673 11.757 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.937 10.743 1.819 1.00 0.00 H new ATOM 2208 N GLU A 150 9.195 8.158 -0.685 1.00 0.00 N ATOM 2209 CA GLU A 150 9.854 6.977 -0.141 1.00 0.00 C ATOM 2210 C GLU A 150 11.235 7.323 0.408 1.00 0.00 C ATOM 2211 O GLU A 150 12.061 7.914 -0.289 1.00 0.00 O ATOM 2212 CB GLU A 150 9.976 5.897 -1.218 1.00 0.00 C ATOM 2213 CG GLU A 150 9.644 4.500 -0.718 1.00 0.00 C ATOM 2214 CD GLU A 150 10.395 3.419 -1.472 1.00 0.00 C ATOM 2215 OE1 GLU A 150 10.329 3.410 -2.719 1.00 0.00 O ATOM 2216 OE2 GLU A 150 11.048 2.582 -0.815 1.00 0.00 O ATOM 0 H GLU A 150 9.617 8.520 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 150 9.245 6.598 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.312 6.145 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.992 5.901 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 150 9.883 4.431 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.572 4.328 -0.815 1.00 0.00 H new ATOM 2223 N TRP A 151 11.478 6.945 1.659 1.00 0.00 N ATOM 2224 CA TRP A 151 12.759 7.207 2.305 1.00 0.00 C ATOM 2225 C TRP A 151 13.328 5.930 2.915 1.00 0.00 C ATOM 2226 O TRP A 151 12.704 5.310 3.776 1.00 0.00 O ATOM 2227 CB TRP A 151 12.599 8.277 3.388 1.00 0.00 C ATOM 2228 CG TRP A 151 13.861 9.037 3.660 1.00 0.00 C ATOM 2229 CD1 TRP A 151 14.261 10.200 3.068 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.889 8.686 4.593 1.00 0.00 C ATOM 2231 NE1 TRP A 151 15.475 10.595 3.577 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.882 9.682 4.514 1.00 0.00 C ATOM 2233 CE3 TRP A 151 15.067 7.628 5.489 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 17.034 9.651 5.295 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 16.211 7.598 6.265 1.00 0.00 C ATOM 2236 CH2 TRP A 151 17.182 8.604 6.164 1.00 0.00 C ATOM 0 H TRP A 151 10.803 6.455 2.246 1.00 0.00 H new ATOM 0 HA TRP A 151 13.454 7.569 1.548 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.820 8.977 3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.262 7.803 4.310 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.705 10.732 2.310 1.00 0.00 H new ATOM 0 HE1 TRP A 151 15.989 11.432 3.302 1.00 0.00 H new ATOM 0 HE3 TRP A 151 14.325 6.848 5.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.783 10.425 5.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 16.359 6.786 6.961 1.00 0.00 H new ATOM 0 HH2 TRP A 151 18.065 8.552 6.784 1.00 0.00 H new ATOM 2247 N ALA A 152 14.513 5.541 2.460 1.00 0.00 N ATOM 2248 CA ALA A 152 15.164 4.334 2.957 1.00 0.00 C ATOM 2249 C ALA A 152 15.944 4.611 4.237 1.00 0.00 C ATOM 2250 O ALA A 152 16.702 5.580 4.320 1.00 0.00 O ATOM 2251 CB ALA A 152 16.085 3.757 1.892 1.00 0.00 C ATOM 0 H ALA A 152 15.043 6.043 1.748 1.00 0.00 H new ATOM 0 HA ALA A 152 14.388 3.605 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.565 2.856 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.504 3.509 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.847 4.492 1.633 1.00 0.00 H new ATOM 2257 N VAL A 153 15.760 3.749 5.233 1.00 0.00 N ATOM 2258 CA VAL A 153 16.449 3.894 6.510 1.00 0.00 C ATOM 2259 C VAL A 153 17.541 2.839 6.658 1.00 0.00 C ATOM 2260 O VAL A 153 18.729 3.160 6.688 1.00 0.00 O ATOM 2261 CB VAL A 153 15.470 3.774 7.695 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.190 4.013 9.016 1.00 0.00 C ATOM 2263 CG2 VAL A 153 14.310 4.746 7.528 1.00 0.00 C ATOM 0 H VAL A 153 15.139 2.942 5.179 1.00 0.00 H new ATOM 0 HA VAL A 153 16.897 4.888 6.522 1.00 0.00 H new ATOM 0 HB VAL A 153 15.069 2.761 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 153 15.480 3.924 9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 153 16.982 3.274 9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 153 16.624 5.013 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 153 13.629 4.648 8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 153 14.693 5.766 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 153 13.777 4.521 6.604 1.00 0.00 H new ATOM 2323 N ILE A 157 15.758 -2.151 4.396 1.00 0.00 N ATOM 2324 CA ILE A 157 14.432 -1.782 4.880 1.00 0.00 C ATOM 2325 C ILE A 157 14.175 -0.290 4.701 1.00 0.00 C ATOM 2326 O ILE A 157 14.858 0.543 5.298 1.00 0.00 O ATOM 2327 CB ILE A 157 14.252 -2.145 6.367 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.712 -3.582 6.626 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.801 -1.964 6.784 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.522 -4.031 8.059 1.00 0.00 C ATOM 0 HA ILE A 157 13.714 -2.347 4.286 1.00 0.00 H new ATOM 0 HB ILE A 157 14.869 -1.474 6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 157 14.162 -4.255 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.766 -3.670 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.690 -2.224 7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.506 -0.925 6.634 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.165 -2.612 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.870 -5.058 8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.094 -3.382 8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.465 -3.976 8.320 1.00 0.00 H new ATOM 2342 N ALA A 158 13.188 0.042 3.876 1.00 0.00 N ATOM 2343 CA ALA A 158 12.842 1.434 3.619 1.00 0.00 C ATOM 2344 C ALA A 158 11.467 1.775 4.183 1.00 0.00 C ATOM 2345 O ALA A 158 10.706 0.889 4.577 1.00 0.00 O ATOM 2346 CB ALA A 158 12.888 1.721 2.126 1.00 0.00 C ATOM 0 H ALA A 158 12.613 -0.635 3.374 1.00 0.00 H new ATOM 0 HA ALA A 158 13.576 2.063 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.627 2.764 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.893 1.528 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.177 1.076 1.609 1.00 0.00 H new ATOM 2352 N THR A 159 11.154 3.066 4.214 1.00 0.00 N ATOM 2353 CA THR A 159 9.871 3.536 4.721 1.00 0.00 C ATOM 2354 C THR A 159 9.296 4.603 3.799 1.00 0.00 C ATOM 2355 O THR A 159 10.039 5.376 3.194 1.00 0.00 O ATOM 2356 CB THR A 159 10.033 4.097 6.135 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.883 3.270 6.909 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.722 4.234 6.879 1.00 0.00 C ATOM 0 H THR A 159 11.775 3.808 3.892 1.00 0.00 H new ATOM 0 HA THR A 159 9.182 2.692 4.754 1.00 0.00 H new ATOM 0 HB THR A 159 10.462 5.090 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.975 3.647 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.909 4.637 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 159 8.062 4.908 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.249 3.256 6.967 1.00 0.00 H new ATOM 2366 N ARG A 160 7.973 4.641 3.684 1.00 0.00 N ATOM 2367 CA ARG A 160 7.321 5.614 2.821 1.00 0.00 C ATOM 2368 C ARG A 160 6.093 6.230 3.484 1.00 0.00 C ATOM 2369 O ARG A 160 5.392 5.578 4.261 1.00 0.00 O ATOM 2370 CB ARG A 160 6.920 4.960 1.497 1.00 0.00 C ATOM 2371 CG ARG A 160 6.036 3.734 1.669 1.00 0.00 C ATOM 2372 CD ARG A 160 6.618 2.519 0.962 1.00 0.00 C ATOM 2373 NE ARG A 160 5.588 1.542 0.614 1.00 0.00 N ATOM 2374 CZ ARG A 160 4.946 0.793 1.507 1.00 0.00 C ATOM 2375 NH1 ARG A 160 5.224 0.903 2.800 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.023 -0.071 1.106 1.00 0.00 N ATOM 0 H ARG A 160 7.336 4.013 4.175 1.00 0.00 H new ATOM 0 HA ARG A 160 8.037 6.414 2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.396 5.693 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.821 4.675 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.918 3.516 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.042 3.944 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.134 2.839 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.362 2.048 1.604 1.00 0.00 H new ATOM 0 HE ARG A 160 5.347 1.428 -0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 160 5.934 1.565 3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.728 0.326 3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.806 -0.161 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.531 -0.645 1.790 1.00 0.00 H new ATOM 2390 N LEU A 161 5.839 7.492 3.153 1.00 0.00 N ATOM 2391 CA LEU A 161 4.693 8.221 3.683 1.00 0.00 C ATOM 2392 C LEU A 161 3.788 8.661 2.539 1.00 0.00 C ATOM 2393 O LEU A 161 4.238 9.327 1.603 1.00 0.00 O ATOM 2394 CB LEU A 161 5.158 9.440 4.488 1.00 0.00 C ATOM 2395 CG LEU A 161 4.308 9.770 5.717 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.952 10.888 6.528 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.896 10.156 5.298 1.00 0.00 C ATOM 0 H LEU A 161 6.419 8.035 2.513 1.00 0.00 H new ATOM 0 HA LEU A 161 4.134 7.562 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 161 6.186 9.272 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.169 10.308 3.829 1.00 0.00 H new ATOM 0 HG LEU A 161 4.250 8.882 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.334 11.109 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.943 10.574 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.041 11.781 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.304 10.388 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.935 11.031 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.436 9.326 4.761 1.00 0.00 H new ATOM 2409 N GLU A 162 2.519 8.273 2.606 1.00 0.00 N ATOM 2410 CA GLU A 162 1.563 8.619 1.558 1.00 0.00 C ATOM 2411 C GLU A 162 0.475 9.553 2.077 1.00 0.00 C ATOM 2412 O GLU A 162 0.036 9.443 3.221 1.00 0.00 O ATOM 2413 CB GLU A 162 0.929 7.351 0.982 1.00 0.00 C ATOM 2414 CG GLU A 162 0.767 7.385 -0.528 1.00 0.00 C ATOM 2415 CD GLU A 162 0.514 6.012 -1.118 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.404 5.317 -0.631 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.231 5.630 -2.067 1.00 0.00 O ATOM 0 H GLU A 162 2.129 7.722 3.370 1.00 0.00 H new ATOM 0 HA GLU A 162 2.108 9.141 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.542 6.492 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.049 7.203 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -0.061 8.045 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 162 1.665 7.809 -0.977 1.00 0.00 H new ATOM 2424 N TYR A 163 0.041 10.469 1.216 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.003 11.424 1.570 1.00 0.00 C ATOM 2426 C TYR A 163 -2.039 11.521 0.454 1.00 0.00 C ATOM 2427 O TYR A 163 -1.743 11.240 -0.708 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.394 12.800 1.841 1.00 0.00 C ATOM 2429 CG TYR A 163 0.607 13.239 0.796 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.189 13.856 -0.376 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.968 13.035 0.981 1.00 0.00 C ATOM 2432 CE1 TYR A 163 1.099 14.258 -1.336 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.885 13.435 0.027 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.447 14.046 -1.128 1.00 0.00 C ATOM 2435 OH TYR A 163 3.357 14.445 -2.080 1.00 0.00 O ATOM 0 H TYR A 163 0.398 10.570 0.266 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.498 11.073 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.195 13.537 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.094 12.786 2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -0.865 14.025 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.316 12.556 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.757 14.735 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.940 13.269 0.186 1.00 0.00 H new ATOM 0 HH TYR A 163 4.263 14.224 -1.779 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.254 11.921 0.814 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.333 12.054 -0.160 1.00 0.00 C ATOM 2447 C GLN A 164 -4.601 13.521 -0.481 1.00 0.00 C ATOM 2448 O GLN A 164 -4.307 13.988 -1.581 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.608 11.390 0.366 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.347 10.578 -0.684 1.00 0.00 C ATOM 2451 CD GLN A 164 -6.865 9.260 -0.144 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.072 9.064 -0.004 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -5.951 8.345 0.161 1.00 0.00 N ATOM 0 H GLN A 164 -3.517 12.158 1.771 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.024 11.553 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.351 10.740 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.275 12.160 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -7.183 11.163 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -5.680 10.385 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -4.961 8.550 0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -6.240 7.438 0.527 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.707 10.404 5.243 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.289 10.068 5.172 1.00 0.00 C ATOM 2726 C LEU A 184 -2.009 8.769 5.920 1.00 0.00 C ATOM 2727 O LEU A 184 -2.754 8.391 6.824 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.444 11.202 5.756 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.641 12.564 5.088 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -2.985 13.158 5.475 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.508 13.509 5.464 1.00 0.00 C ATOM 0 HA LEU A 184 -2.021 9.932 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.675 11.298 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.392 10.926 5.682 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.628 12.424 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.108 14.127 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.784 12.489 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.029 13.285 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.663 14.474 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.490 13.644 6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.442 13.087 5.135 1.00 0.00 H new ATOM 2743 N SER A 185 -0.936 8.086 5.536 1.00 0.00 N ATOM 2744 CA SER A 185 -0.569 6.828 6.174 1.00 0.00 C ATOM 2745 C SER A 185 0.937 6.590 6.103 1.00 0.00 C ATOM 2746 O SER A 185 1.620 7.113 5.219 1.00 0.00 O ATOM 2747 CB SER A 185 -1.311 5.665 5.512 1.00 0.00 C ATOM 2748 OG SER A 185 -2.714 5.850 5.580 1.00 0.00 O ATOM 0 H SER A 185 -0.308 8.381 4.789 1.00 0.00 H new ATOM 0 HA SER A 185 -0.855 6.889 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.003 5.579 4.470 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.040 4.730 6.003 1.00 0.00 H new ATOM 0 HG SER A 185 -3.165 5.094 5.149 1.00 0.00 H new ATOM 2754 N LEU A 186 1.444 5.789 7.037 1.00 0.00 N ATOM 2755 CA LEU A 186 2.867 5.467 7.084 1.00 0.00 C ATOM 2756 C LEU A 186 3.078 3.969 6.902 1.00 0.00 C ATOM 2757 O LEU A 186 2.366 3.160 7.495 1.00 0.00 O ATOM 2758 CB LEU A 186 3.486 5.917 8.414 1.00 0.00 C ATOM 2759 CG LEU A 186 2.796 7.102 9.100 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.846 6.613 10.183 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.831 8.051 9.689 1.00 0.00 C ATOM 0 H LEU A 186 0.889 5.351 7.772 1.00 0.00 H new ATOM 0 HA LEU A 186 3.359 6.001 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.482 5.070 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.529 6.180 8.238 1.00 0.00 H new ATOM 0 HG LEU A 186 2.216 7.643 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 186 1.366 7.468 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 186 1.086 5.971 9.738 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.405 6.049 10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 186 3.325 8.887 10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 186 4.436 7.519 10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 186 4.474 8.427 8.893 1.00 0.00 H new ATOM 2773 N GLY A 187 4.054 3.602 6.077 1.00 0.00 N ATOM 2774 CA GLY A 187 4.316 2.193 5.845 1.00 0.00 C ATOM 2775 C GLY A 187 5.778 1.895 5.579 1.00 0.00 C ATOM 2776 O GLY A 187 6.573 2.801 5.330 1.00 0.00 O ATOM 0 H GLY A 187 4.661 4.246 5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.987 1.621 6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.722 1.854 4.996 1.00 0.00 H new ATOM 2780 N VAL A 188 6.125 0.611 5.621 1.00 0.00 N ATOM 2781 CA VAL A 188 7.495 0.176 5.372 1.00 0.00 C ATOM 2782 C VAL A 188 7.526 -0.840 4.236 1.00 0.00 C ATOM 2783 O VAL A 188 6.598 -1.634 4.083 1.00 0.00 O ATOM 2784 CB VAL A 188 8.145 -0.442 6.630 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.693 0.648 7.537 1.00 0.00 C ATOM 2786 CG2 VAL A 188 7.154 -1.320 7.384 1.00 0.00 C ATOM 0 H VAL A 188 5.474 -0.147 5.826 1.00 0.00 H new ATOM 0 HA VAL A 188 8.069 1.061 5.096 1.00 0.00 H new ATOM 0 HB VAL A 188 8.973 -1.072 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.147 0.194 8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.444 1.226 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.881 1.307 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.638 -1.742 8.265 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.298 -0.720 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.816 -2.127 6.734 1.00 0.00 H new ATOM 2796 N SER A 189 8.583 -0.807 3.429 1.00 0.00 N ATOM 2797 CA SER A 189 8.696 -1.727 2.304 1.00 0.00 C ATOM 2798 C SER A 189 10.152 -2.005 1.951 1.00 0.00 C ATOM 2799 O SER A 189 11.068 -1.411 2.520 1.00 0.00 O ATOM 2800 CB SER A 189 7.970 -1.157 1.085 1.00 0.00 C ATOM 2801 OG SER A 189 8.669 -0.050 0.545 1.00 0.00 O ATOM 0 H SER A 189 9.365 -0.160 3.532 1.00 0.00 H new ATOM 0 HA SER A 189 8.234 -2.669 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.867 -1.931 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.963 -0.852 1.368 1.00 0.00 H new ATOM 0 HG SER A 189 8.184 0.294 -0.234 1.00 0.00 H new ATOM 2807 N TYR A 190 10.351 -2.915 1.003 1.00 0.00 N ATOM 2808 CA TYR A 190 11.687 -3.283 0.558 1.00 0.00 C ATOM 2809 C TYR A 190 11.687 -3.594 -0.935 1.00 0.00 C ATOM 2810 O TYR A 190 10.669 -4.011 -1.494 1.00 0.00 O ATOM 2811 CB TYR A 190 12.196 -4.492 1.346 1.00 0.00 C ATOM 2812 CG TYR A 190 13.578 -4.947 0.936 1.00 0.00 C ATOM 2813 CD1 TYR A 190 14.653 -4.067 0.950 1.00 0.00 C ATOM 2814 CD2 TYR A 190 13.808 -6.257 0.536 1.00 0.00 C ATOM 2815 CE1 TYR A 190 15.917 -4.480 0.576 1.00 0.00 C ATOM 2816 CE2 TYR A 190 15.071 -6.677 0.161 1.00 0.00 C ATOM 2817 CZ TYR A 190 16.121 -5.784 0.183 1.00 0.00 C ATOM 2818 OH TYR A 190 17.379 -6.199 -0.191 1.00 0.00 O ATOM 0 H TYR A 190 9.598 -3.413 0.527 1.00 0.00 H new ATOM 0 HA TYR A 190 12.353 -2.439 0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.205 -4.245 2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.498 -5.319 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 190 14.498 -3.044 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 190 12.987 -6.959 0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 190 16.742 -3.783 0.592 1.00 0.00 H new ATOM 0 HE2 TYR A 190 15.234 -7.699 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 190 17.351 -7.147 -0.439 1.00 0.00 H new ATOM 2828 N ARG A 191 12.831 -3.388 -1.578 1.00 0.00 N ATOM 2829 CA ARG A 191 12.965 -3.645 -3.006 1.00 0.00 C ATOM 2830 C ARG A 191 13.548 -5.030 -3.256 1.00 0.00 C ATOM 2831 O ARG A 191 14.400 -5.502 -2.502 1.00 0.00 O ATOM 2832 CB ARG A 191 13.849 -2.580 -3.657 1.00 0.00 C ATOM 2833 CG ARG A 191 15.284 -2.589 -3.154 1.00 0.00 C ATOM 2834 CD ARG A 191 16.269 -2.256 -4.263 1.00 0.00 C ATOM 2835 NE ARG A 191 16.908 -0.959 -4.057 1.00 0.00 N ATOM 2836 CZ ARG A 191 17.929 -0.758 -3.223 1.00 0.00 C ATOM 2837 NH1 ARG A 191 18.425 -1.767 -2.517 1.00 0.00 N ATOM 2838 NH2 ARG A 191 18.451 0.453 -3.095 1.00 0.00 N ATOM 0 H ARG A 191 13.680 -3.043 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 191 11.971 -3.603 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.850 -2.731 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.415 -1.597 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 191 15.390 -1.868 -2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.519 -3.570 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 191 17.033 -3.032 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.749 -2.256 -5.221 1.00 0.00 H new ATOM 0 HE ARG A 191 16.552 -0.160 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 191 18.025 -2.701 -2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 191 19.206 -1.609 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 191 18.072 1.231 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 191 19.232 0.607 -2.457 1.00 0.00 H new