USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 72 TYR OH : rot 130:sc= -1.92 USER MOD Set 1.2: A 92 GLN : amide:sc= -1.42 K(o=-3.3,f=-6.2!) USER MOD Single : A 18 THR OG1 : rot -14:sc= 0.517 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.183 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 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 95 GLN : amide:sc= -0.444 K(o=-0.44,f=-5!) USER MOD Single : A 97 THR OG1 : rot 178:sc= -3.4! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 50:sc= -2.45 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -115:sc= 0 (180deg=-0.625) USER MOD Single : A 142 SER OG : rot 39:sc= 0.202 USER MOD Single : A 159 THR OG1 : rot 31:sc= 0.102 USER MOD Single : A 163 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 164 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.81) USER MOD Single : A 185 SER OG : rot -1:sc= -1.05! USER MOD Single : A 189 SER OG : rot -150:sc= -0.923 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.418 -4.586 -11.625 1.00 0.00 N ATOM 276 CA THR A 18 12.548 -4.643 -10.175 1.00 0.00 C ATOM 277 C THR A 18 11.208 -4.958 -9.520 1.00 0.00 C ATOM 278 O THR A 18 10.187 -5.075 -10.198 1.00 0.00 O ATOM 279 CB THR A 18 13.091 -3.317 -9.637 1.00 0.00 C ATOM 280 OG1 THR A 18 12.653 -2.234 -10.438 1.00 0.00 O ATOM 281 CG2 THR A 18 14.603 -3.268 -9.587 1.00 0.00 C ATOM 0 HA THR A 18 13.249 -5.441 -9.930 1.00 0.00 H new ATOM 0 HB THR A 18 12.706 -3.237 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.295 -2.576 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.923 -2.302 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.971 -4.062 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.005 -3.405 -10.591 1.00 0.00 H new ATOM 289 N TRP A 19 11.217 -5.096 -8.199 1.00 0.00 N ATOM 290 CA TRP A 19 10.001 -5.400 -7.454 1.00 0.00 C ATOM 291 C TRP A 19 9.972 -4.645 -6.129 1.00 0.00 C ATOM 292 O TRP A 19 11.015 -4.285 -5.584 1.00 0.00 O ATOM 293 CB TRP A 19 9.898 -6.907 -7.203 1.00 0.00 C ATOM 294 CG TRP A 19 8.780 -7.557 -7.961 1.00 0.00 C ATOM 295 CD1 TRP A 19 8.615 -7.585 -9.314 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.672 -8.275 -7.406 1.00 0.00 C ATOM 297 NE1 TRP A 19 7.472 -8.276 -9.637 1.00 0.00 N ATOM 298 CE2 TRP A 19 6.875 -8.708 -8.481 1.00 0.00 C ATOM 299 CE3 TRP A 19 7.276 -8.593 -6.103 1.00 0.00 C ATOM 300 CZ2 TRP A 19 5.707 -9.443 -8.293 1.00 0.00 C ATOM 301 CZ3 TRP A 19 6.117 -9.321 -5.918 1.00 0.00 C ATOM 302 CH2 TRP A 19 5.344 -9.741 -7.009 1.00 0.00 C ATOM 0 H TRP A 19 12.053 -5.002 -7.622 1.00 0.00 H new ATOM 0 HA TRP A 19 9.147 -5.079 -8.050 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.840 -7.380 -7.481 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.755 -7.082 -6.137 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.285 -7.130 -10.028 1.00 0.00 H new ATOM 0 HE1 TRP A 19 7.125 -8.441 -10.582 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.866 -8.275 -5.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 5.109 -9.766 -9.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 5.801 -9.571 -4.916 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.444 -10.311 -6.832 1.00 0.00 H new ATOM 313 N TYR A 20 8.769 -4.408 -5.618 1.00 0.00 N ATOM 314 CA TYR A 20 8.599 -3.697 -4.356 1.00 0.00 C ATOM 315 C TYR A 20 7.398 -4.238 -3.587 1.00 0.00 C ATOM 316 O TYR A 20 6.335 -4.472 -4.163 1.00 0.00 O ATOM 317 CB TYR A 20 8.424 -2.198 -4.613 1.00 0.00 C ATOM 318 CG TYR A 20 9.647 -1.377 -4.267 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.722 -1.294 -5.143 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.724 -0.683 -3.066 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.841 -0.544 -4.831 1.00 0.00 C ATOM 322 CE2 TYR A 20 10.839 0.070 -2.747 1.00 0.00 C ATOM 323 CZ TYR A 20 11.894 0.135 -3.633 1.00 0.00 C ATOM 324 OH TYR A 20 13.006 0.883 -3.317 1.00 0.00 O ATOM 0 H TYR A 20 7.896 -4.698 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 20 9.494 -3.853 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.179 -2.044 -5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.577 -1.835 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.683 -1.824 -6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.900 -0.732 -2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.669 -0.491 -5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.884 0.604 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 20 12.882 1.298 -2.438 1.00 0.00 H new ATOM 334 N ALA A 21 7.574 -4.437 -2.285 1.00 0.00 N ATOM 335 CA ALA A 21 6.502 -4.952 -1.442 1.00 0.00 C ATOM 336 C ALA A 21 6.558 -4.344 -0.045 1.00 0.00 C ATOM 337 O ALA A 21 7.636 -4.167 0.524 1.00 0.00 O ATOM 338 CB ALA A 21 6.577 -6.468 -1.362 1.00 0.00 C ATOM 0 H ALA A 21 8.447 -4.250 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 21 5.552 -4.668 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.771 -6.839 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.478 -6.890 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.537 -6.763 -0.937 1.00 0.00 H new ATOM 344 N GLY A 22 5.389 -4.026 0.504 1.00 0.00 N ATOM 345 CA GLY A 22 5.328 -3.442 1.831 1.00 0.00 C ATOM 346 C GLY A 22 3.904 -3.206 2.294 1.00 0.00 C ATOM 347 O GLY A 22 2.952 -3.640 1.645 1.00 0.00 O ATOM 0 H GLY A 22 4.484 -4.162 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.833 -4.100 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.870 -2.496 1.834 1.00 0.00 H new ATOM 351 N GLY A 23 3.757 -2.516 3.422 1.00 0.00 N ATOM 352 CA GLY A 23 2.436 -2.236 3.951 1.00 0.00 C ATOM 353 C GLY A 23 2.366 -0.891 4.645 1.00 0.00 C ATOM 354 O GLY A 23 3.361 -0.414 5.195 1.00 0.00 O ATOM 0 H GLY A 23 4.529 -2.147 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.709 -2.261 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.155 -3.020 4.654 1.00 0.00 H new ATOM 358 N LYS A 24 1.187 -0.274 4.621 1.00 0.00 N ATOM 359 CA LYS A 24 0.992 1.025 5.251 1.00 0.00 C ATOM 360 C LYS A 24 -0.253 1.027 6.132 1.00 0.00 C ATOM 361 O LYS A 24 -1.184 0.251 5.913 1.00 0.00 O ATOM 362 CB LYS A 24 0.881 2.120 4.189 1.00 0.00 C ATOM 363 CG LYS A 24 -0.124 1.802 3.091 1.00 0.00 C ATOM 364 CD LYS A 24 -1.066 2.970 2.836 1.00 0.00 C ATOM 365 CE LYS A 24 -2.464 2.683 3.357 1.00 0.00 C ATOM 366 NZ LYS A 24 -3.459 3.669 2.849 1.00 0.00 N ATOM 0 H LYS A 24 0.354 -0.654 4.172 1.00 0.00 H new ATOM 0 HA LYS A 24 1.858 1.225 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.596 3.055 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.861 2.279 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.407 1.555 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.703 0.922 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.674 3.866 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.110 3.176 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.764 1.678 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.457 2.703 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.400 3.439 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.187 4.625 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.485 3.632 1.810 1.00 0.00 H new ATOM 380 N LEU A 25 -0.260 1.906 7.127 1.00 0.00 N ATOM 381 CA LEU A 25 -1.386 2.021 8.046 1.00 0.00 C ATOM 382 C LEU A 25 -1.854 3.470 8.140 1.00 0.00 C ATOM 383 O LEU A 25 -1.040 4.394 8.173 1.00 0.00 O ATOM 384 CB LEU A 25 -0.992 1.502 9.432 1.00 0.00 C ATOM 385 CG LEU A 25 -2.018 1.753 10.541 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.310 0.999 10.258 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.448 1.353 11.894 1.00 0.00 C ATOM 0 H LEU A 25 0.505 2.552 7.319 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.208 1.416 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.812 0.429 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.049 1.966 9.721 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.244 2.819 10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.026 1.191 11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.727 1.336 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.103 -0.070 10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.190 1.538 12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.192 0.294 11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.553 1.940 12.100 1.00 0.00 H new ATOM 399 N GLY A 26 -3.169 3.661 8.181 1.00 0.00 N ATOM 400 CA GLY A 26 -3.719 5.000 8.269 1.00 0.00 C ATOM 401 C GLY A 26 -5.000 5.050 9.077 1.00 0.00 C ATOM 402 O GLY A 26 -5.553 4.014 9.444 1.00 0.00 O ATOM 0 H GLY A 26 -3.862 2.913 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.982 5.663 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.912 5.377 7.265 1.00 0.00 H new ATOM 799 N GLY A 53 -7.117 1.818 9.609 1.00 0.00 N ATOM 800 CA GLY A 53 -7.229 1.019 8.404 1.00 0.00 C ATOM 801 C GLY A 53 -5.888 0.500 7.926 1.00 0.00 C ATOM 802 O GLY A 53 -4.908 1.245 7.875 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.895 0.177 8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.685 1.618 7.616 1.00 0.00 H new ATOM 806 N ALA A 54 -5.842 -0.780 7.571 1.00 0.00 N ATOM 807 CA ALA A 54 -4.611 -1.399 7.094 1.00 0.00 C ATOM 808 C ALA A 54 -4.613 -1.520 5.574 1.00 0.00 C ATOM 809 O ALA A 54 -5.633 -1.842 4.968 1.00 0.00 O ATOM 810 CB ALA A 54 -4.423 -2.766 7.736 1.00 0.00 C ATOM 0 H ALA A 54 -6.644 -1.409 7.605 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.776 -0.760 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.500 -3.216 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.368 -2.655 8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.266 -3.408 7.479 1.00 0.00 H new ATOM 816 N GLY A 55 -3.461 -1.260 4.965 1.00 0.00 N ATOM 817 CA GLY A 55 -3.352 -1.345 3.522 1.00 0.00 C ATOM 818 C GLY A 55 -1.991 -1.839 3.073 1.00 0.00 C ATOM 819 O GLY A 55 -0.963 -1.287 3.468 1.00 0.00 O ATOM 0 H GLY A 55 -2.602 -0.992 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.123 -2.015 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.540 -0.363 3.088 1.00 0.00 H new ATOM 823 N ALA A 56 -1.982 -2.878 2.246 1.00 0.00 N ATOM 824 CA ALA A 56 -0.736 -3.445 1.744 1.00 0.00 C ATOM 825 C ALA A 56 -0.378 -2.857 0.384 1.00 0.00 C ATOM 826 O ALA A 56 -1.253 -2.619 -0.449 1.00 0.00 O ATOM 827 CB ALA A 56 -0.843 -4.959 1.655 1.00 0.00 C ATOM 0 H ALA A 56 -2.824 -3.345 1.909 1.00 0.00 H new ATOM 0 HA ALA A 56 0.060 -3.190 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.094 -5.369 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.046 -5.368 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.654 -5.227 0.978 1.00 0.00 H new ATOM 833 N PHE A 57 0.912 -2.621 0.166 1.00 0.00 N ATOM 834 CA PHE A 57 1.383 -2.058 -1.095 1.00 0.00 C ATOM 835 C PHE A 57 2.430 -2.962 -1.739 1.00 0.00 C ATOM 836 O PHE A 57 3.430 -3.315 -1.115 1.00 0.00 O ATOM 837 CB PHE A 57 1.968 -0.662 -0.866 1.00 0.00 C ATOM 838 CG PHE A 57 0.974 0.446 -1.069 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.063 0.637 -0.171 1.00 0.00 C ATOM 840 CD2 PHE A 57 1.077 1.296 -2.158 1.00 0.00 C ATOM 841 CE1 PHE A 57 -0.979 1.654 -0.354 1.00 0.00 C ATOM 842 CE2 PHE A 57 0.165 2.317 -2.347 1.00 0.00 C ATOM 843 CZ PHE A 57 -0.865 2.496 -1.444 1.00 0.00 C ATOM 0 H PHE A 57 1.649 -2.811 0.845 1.00 0.00 H new ATOM 0 HA PHE A 57 0.531 -1.982 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.362 -0.604 0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.809 -0.514 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.156 -0.018 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.879 1.159 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.783 1.791 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.257 2.974 -3.199 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.580 3.292 -1.590 1.00 0.00 H new ATOM 853 N GLY A 58 2.191 -3.328 -2.995 1.00 0.00 N ATOM 854 CA GLY A 58 3.120 -4.185 -3.707 1.00 0.00 C ATOM 855 C GLY A 58 3.036 -4.001 -5.209 1.00 0.00 C ATOM 856 O GLY A 58 1.962 -4.125 -5.797 1.00 0.00 O ATOM 0 H GLY A 58 1.371 -3.046 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.136 -3.973 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.914 -5.226 -3.459 1.00 0.00 H new ATOM 860 N GLY A 59 4.172 -3.701 -5.834 1.00 0.00 N ATOM 861 CA GLY A 59 4.193 -3.502 -7.271 1.00 0.00 C ATOM 862 C GLY A 59 5.572 -3.698 -7.868 1.00 0.00 C ATOM 863 O GLY A 59 6.480 -4.198 -7.203 1.00 0.00 O ATOM 0 H GLY A 59 5.075 -3.593 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.496 -4.197 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.842 -2.496 -7.500 1.00 0.00 H new ATOM 867 N TYR A 60 5.729 -3.303 -9.127 1.00 0.00 N ATOM 868 CA TYR A 60 7.005 -3.436 -9.820 1.00 0.00 C ATOM 869 C TYR A 60 7.120 -2.412 -10.945 1.00 0.00 C ATOM 870 O TYR A 60 6.118 -1.861 -11.400 1.00 0.00 O ATOM 871 CB TYR A 60 7.157 -4.850 -10.383 1.00 0.00 C ATOM 872 CG TYR A 60 6.030 -5.257 -11.305 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.883 -4.670 -12.557 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.112 -6.228 -10.924 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.854 -5.040 -13.401 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.080 -6.602 -11.765 1.00 0.00 C ATOM 877 CZ TYR A 60 3.955 -6.006 -13.001 1.00 0.00 C ATOM 878 OH TYR A 60 2.929 -6.376 -13.839 1.00 0.00 O ATOM 0 H TYR A 60 4.986 -2.887 -9.689 1.00 0.00 H new ATOM 0 HA TYR A 60 7.804 -3.251 -9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.101 -4.917 -10.924 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.213 -5.558 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.585 -3.913 -12.875 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.206 -6.698 -9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.754 -4.575 -14.370 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.375 -7.358 -11.454 1.00 0.00 H new ATOM 0 HH TYR A 60 2.387 -7.068 -13.406 1.00 0.00 H new ATOM 888 N GLN A 61 8.347 -2.163 -11.390 1.00 0.00 N ATOM 889 CA GLN A 61 8.592 -1.204 -12.463 1.00 0.00 C ATOM 890 C GLN A 61 9.022 -1.916 -13.741 1.00 0.00 C ATOM 891 O GLN A 61 9.859 -2.817 -13.710 1.00 0.00 O ATOM 892 CB GLN A 61 9.663 -0.197 -12.041 1.00 0.00 C ATOM 893 CG GLN A 61 9.341 0.525 -10.743 1.00 0.00 C ATOM 894 CD GLN A 61 10.357 1.598 -10.406 1.00 0.00 C ATOM 895 OE1 GLN A 61 11.091 1.487 -9.424 1.00 0.00 O ATOM 896 NE2 GLN A 61 10.406 2.645 -11.222 1.00 0.00 N ATOM 0 H GLN A 61 9.187 -2.611 -11.025 1.00 0.00 H new ATOM 0 HA GLN A 61 7.661 -0.672 -12.660 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.615 -0.716 -11.932 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.791 0.539 -12.835 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.352 0.977 -10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.299 -0.199 -9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.779 2.696 -12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.071 3.398 -11.046 1.00 0.00 H new ATOM 970 N LEU A 66 7.039 4.307 -15.622 1.00 0.00 N ATOM 971 CA LEU A 66 5.741 3.649 -15.524 1.00 0.00 C ATOM 972 C LEU A 66 5.851 2.349 -14.733 1.00 0.00 C ATOM 973 O LEU A 66 6.525 1.410 -15.156 1.00 0.00 O ATOM 974 CB LEU A 66 5.188 3.366 -16.925 1.00 0.00 C ATOM 975 CG LEU A 66 3.798 3.939 -17.202 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.759 3.262 -16.322 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.787 5.444 -16.983 1.00 0.00 C ATOM 0 HA LEU A 66 5.057 4.315 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.883 3.769 -17.661 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.155 2.287 -17.075 1.00 0.00 H new ATOM 0 HG LEU A 66 3.546 3.744 -18.244 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.775 3.682 -16.532 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.749 2.192 -16.529 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.007 3.426 -15.273 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.789 5.834 -17.185 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.060 5.663 -15.951 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.504 5.915 -17.656 1.00 0.00 H new ATOM 989 N GLY A 67 5.185 2.298 -13.583 1.00 0.00 N ATOM 990 CA GLY A 67 5.225 1.104 -12.759 1.00 0.00 C ATOM 991 C GLY A 67 3.844 0.632 -12.354 1.00 0.00 C ATOM 992 O GLY A 67 2.906 1.426 -12.270 1.00 0.00 O ATOM 0 H GLY A 67 4.620 3.060 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.732 0.308 -13.303 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.814 1.304 -11.864 1.00 0.00 H new ATOM 996 N PHE A 68 3.716 -0.666 -12.096 1.00 0.00 N ATOM 997 CA PHE A 68 2.440 -1.245 -11.690 1.00 0.00 C ATOM 998 C PHE A 68 2.364 -1.354 -10.171 1.00 0.00 C ATOM 999 O PHE A 68 3.269 -1.890 -9.535 1.00 0.00 O ATOM 1000 CB PHE A 68 2.256 -2.625 -12.327 1.00 0.00 C ATOM 1001 CG PHE A 68 0.945 -2.786 -13.041 1.00 0.00 C ATOM 1002 CD1 PHE A 68 0.663 -2.041 -14.175 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.007 -3.679 -12.578 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -0.542 -2.187 -14.836 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.215 -3.829 -13.234 1.00 0.00 C ATOM 1006 CZ PHE A 68 -1.483 -3.081 -14.365 1.00 0.00 C ATOM 0 H PHE A 68 4.481 -1.337 -12.161 1.00 0.00 H new ATOM 0 HA PHE A 68 1.639 -0.590 -12.033 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.068 -2.802 -13.032 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.334 -3.387 -11.552 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.394 -1.338 -14.547 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.197 -4.265 -11.694 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.747 -1.602 -15.720 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.948 -4.530 -12.863 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.426 -3.195 -14.879 1.00 0.00 H new ATOM 1016 N GLU A 69 1.285 -0.836 -9.593 1.00 0.00 N ATOM 1017 CA GLU A 69 1.106 -0.875 -8.147 1.00 0.00 C ATOM 1018 C GLU A 69 -0.185 -1.590 -7.765 1.00 0.00 C ATOM 1019 O GLU A 69 -1.258 -1.286 -8.290 1.00 0.00 O ATOM 1020 CB GLU A 69 1.107 0.546 -7.576 1.00 0.00 C ATOM 1021 CG GLU A 69 2.283 0.829 -6.655 1.00 0.00 C ATOM 1022 CD GLU A 69 2.382 -0.162 -5.514 1.00 0.00 C ATOM 1023 OE1 GLU A 69 1.327 -0.655 -5.062 1.00 0.00 O ATOM 1024 OE2 GLU A 69 3.515 -0.446 -5.069 1.00 0.00 O ATOM 0 H GLU A 69 0.524 -0.386 -10.102 1.00 0.00 H new ATOM 0 HA GLU A 69 1.939 -1.434 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.121 1.260 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.179 0.709 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.207 0.805 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.188 1.836 -6.249 1.00 0.00 H new ATOM 1031 N MET A 70 -0.071 -2.536 -6.840 1.00 0.00 N ATOM 1032 CA MET A 70 -1.222 -3.295 -6.369 1.00 0.00 C ATOM 1033 C MET A 70 -1.425 -3.076 -4.876 1.00 0.00 C ATOM 1034 O MET A 70 -0.497 -3.245 -4.083 1.00 0.00 O ATOM 1035 CB MET A 70 -1.034 -4.786 -6.662 1.00 0.00 C ATOM 1036 CG MET A 70 -1.502 -5.197 -8.047 1.00 0.00 C ATOM 1037 SD MET A 70 -0.688 -6.693 -8.639 1.00 0.00 S ATOM 1038 CE MET A 70 -1.420 -6.855 -10.266 1.00 0.00 C ATOM 0 H MET A 70 0.812 -2.796 -6.400 1.00 0.00 H new ATOM 0 HA MET A 70 -2.108 -2.944 -6.898 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.021 -5.039 -6.554 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.579 -5.366 -5.917 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.580 -5.357 -8.029 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.312 -4.383 -8.747 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.016 -7.738 -10.761 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.501 -6.956 -10.170 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.189 -5.970 -10.859 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.637 -2.689 -4.494 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.925 -2.446 -3.092 1.00 0.00 C ATOM 1050 C GLY A 71 -3.842 -3.494 -2.493 1.00 0.00 C ATOM 1051 O GLY A 71 -4.572 -4.175 -3.213 1.00 0.00 O ATOM 0 H GLY A 71 -3.423 -2.540 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.990 -2.424 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.384 -1.463 -2.985 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.803 -3.622 -1.170 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.638 -4.594 -0.473 1.00 0.00 C ATOM 1057 C TYR A 72 -5.400 -3.932 0.669 1.00 0.00 C ATOM 1058 O TYR A 72 -4.802 -3.461 1.635 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.777 -5.739 0.065 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.426 -7.099 -0.066 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.899 -7.548 -1.292 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -4.562 -7.933 1.036 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -5.491 -8.792 -1.416 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -5.152 -9.178 0.920 1.00 0.00 C ATOM 1065 CZ TYR A 72 -5.614 -9.602 -0.308 1.00 0.00 C ATOM 1066 OH TYR A 72 -6.202 -10.841 -0.428 1.00 0.00 O ATOM 0 H TYR A 72 -3.203 -3.066 -0.560 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.361 -4.995 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.825 -5.747 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.554 -5.552 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.803 -6.916 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.201 -7.604 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.855 -9.127 -2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.250 -9.815 1.787 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.625 -11.518 -0.016 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.724 -3.898 0.551 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.566 -3.291 1.575 1.00 0.00 C ATOM 1078 C ASP A 73 -7.838 -4.274 2.708 1.00 0.00 C ATOM 1079 O ASP A 73 -8.478 -5.308 2.506 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.886 -2.817 0.967 1.00 0.00 C ATOM 1081 CG ASP A 73 -9.348 -1.493 1.546 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -9.987 -1.505 2.620 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.071 -0.444 0.926 1.00 0.00 O ATOM 0 H ASP A 73 -7.236 -4.283 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.034 -2.431 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.771 -2.718 -0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.653 -3.572 1.137 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.346 -3.943 3.898 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.534 -4.792 5.069 1.00 0.00 C ATOM 1090 C TRP A 74 -7.841 -3.954 6.306 1.00 0.00 C ATOM 1091 O TRP A 74 -7.178 -2.948 6.567 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.284 -5.641 5.313 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.559 -6.896 6.084 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.172 -6.992 7.301 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.230 -8.233 5.694 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.245 -8.308 7.690 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.672 -9.089 6.720 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -5.604 -8.792 4.575 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.509 -10.471 6.660 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -5.443 -10.163 4.516 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -5.894 -10.989 5.554 1.00 0.00 C ATOM 0 H TRP A 74 -6.813 -3.092 4.077 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.382 -5.449 4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.839 -5.903 4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.549 -5.045 5.853 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.545 -6.156 7.874 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.658 -8.648 8.558 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.252 -8.163 3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.856 -11.110 7.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -4.962 -10.605 3.656 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.753 -12.057 5.479 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.653 -8.904 1.714 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.317 -8.601 1.214 1.00 0.00 C ATOM 1363 C GLN A 92 -10.391 -7.659 0.018 1.00 0.00 C ATOM 1364 O GLN A 92 -11.077 -7.941 -0.964 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.592 -9.891 0.821 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.802 -10.516 1.959 1.00 0.00 C ATOM 1367 CD GLN A 92 -7.959 -11.691 1.508 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -8.127 -12.202 0.401 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -7.043 -12.126 2.365 1.00 0.00 N ATOM 0 HA GLN A 92 -9.758 -8.109 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.324 -10.613 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.915 -9.680 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.156 -9.760 2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.491 -10.846 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.938 -11.673 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.445 -12.913 2.116 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.686 -6.535 0.107 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.697 -5.571 -0.976 1.00 0.00 C ATOM 1380 C GLY A 93 -8.479 -5.668 -1.871 1.00 0.00 C ATOM 1381 O GLY A 93 -7.367 -5.907 -1.398 1.00 0.00 O ATOM 0 H GLY A 93 -9.109 -6.276 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.594 -5.719 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.755 -4.566 -0.559 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.691 -5.470 -3.168 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.611 -5.523 -4.146 1.00 0.00 C ATOM 1387 C VAL A 94 -7.582 -4.238 -4.967 1.00 0.00 C ATOM 1388 O VAL A 94 -8.573 -3.873 -5.599 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.751 -6.733 -5.097 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -6.945 -7.916 -4.582 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.211 -7.121 -5.276 1.00 0.00 C ATOM 0 H VAL A 94 -9.608 -5.270 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.679 -5.633 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.356 -6.442 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.057 -8.758 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.893 -7.639 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.307 -8.200 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.281 -7.975 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.638 -7.386 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.762 -6.280 -5.698 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.448 -3.544 -4.942 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.307 -2.290 -5.672 1.00 0.00 C ATOM 1403 C GLN A 95 -5.386 -2.441 -6.879 1.00 0.00 C ATOM 1404 O GLN A 95 -4.358 -3.114 -6.813 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.770 -1.198 -4.746 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.853 -0.487 -3.949 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.539 -0.422 -2.467 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.773 -1.232 -1.946 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -7.133 0.546 -1.779 1.00 0.00 N ATOM 0 H GLN A 95 -5.616 -3.828 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.295 -2.008 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.053 -1.640 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.227 -0.463 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.978 0.525 -4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.803 -1.002 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.761 1.196 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.961 0.640 -0.778 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.766 -1.793 -7.977 1.00 0.00 N ATOM 1419 CA LEU A 96 -4.986 -1.828 -9.208 1.00 0.00 C ATOM 1420 C LEU A 96 -4.739 -0.407 -9.702 1.00 0.00 C ATOM 1421 O LEU A 96 -5.680 0.316 -10.027 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.725 -2.644 -10.276 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.144 -2.555 -11.692 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.119 -3.929 -12.346 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -5.949 -1.576 -12.535 1.00 0.00 C ATOM 0 H LEU A 96 -6.617 -1.233 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.026 -2.304 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.731 -3.690 -9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.764 -2.314 -10.307 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.119 -2.190 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.704 -3.846 -13.350 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.502 -4.603 -11.752 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.134 -4.323 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.524 -1.524 -13.537 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.983 -1.914 -12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.917 -0.588 -12.076 1.00 0.00 H new ATOM 1437 N THR A 97 -3.473 0.002 -9.736 1.00 0.00 N ATOM 1438 CA THR A 97 -3.133 1.352 -10.169 1.00 0.00 C ATOM 1439 C THR A 97 -1.719 1.427 -10.735 1.00 0.00 C ATOM 1440 O THR A 97 -0.904 0.529 -10.527 1.00 0.00 O ATOM 1441 CB THR A 97 -3.268 2.325 -8.996 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.598 3.542 -9.272 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.705 1.784 -7.697 1.00 0.00 C ATOM 0 H THR A 97 -2.675 -0.576 -9.472 1.00 0.00 H new ATOM 0 HA THR A 97 -3.827 1.628 -10.963 1.00 0.00 H new ATOM 0 HB THR A 97 -4.340 2.479 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.725 4.162 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.834 2.525 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.232 0.869 -7.425 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.644 1.568 -7.822 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.440 2.518 -11.440 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.127 2.740 -12.029 1.00 0.00 C ATOM 1453 C ALA A 98 0.686 3.695 -11.163 1.00 0.00 C ATOM 1454 O ALA A 98 0.235 4.799 -10.853 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.263 3.283 -13.442 1.00 0.00 C ATOM 0 H ALA A 98 -2.111 3.266 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 98 0.398 1.786 -12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.728 3.443 -13.867 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.810 2.567 -14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.805 4.229 -13.418 1.00 0.00 H new ATOM 1461 N LYS A 99 1.875 3.260 -10.763 1.00 0.00 N ATOM 1462 CA LYS A 99 2.741 4.072 -9.918 1.00 0.00 C ATOM 1463 C LYS A 99 3.872 4.711 -10.718 1.00 0.00 C ATOM 1464 O LYS A 99 4.553 4.044 -11.500 1.00 0.00 O ATOM 1465 CB LYS A 99 3.324 3.224 -8.785 1.00 0.00 C ATOM 1466 CG LYS A 99 3.971 4.047 -7.682 1.00 0.00 C ATOM 1467 CD LYS A 99 5.364 3.538 -7.346 1.00 0.00 C ATOM 1468 CE LYS A 99 6.413 4.130 -8.273 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.429 3.122 -8.680 1.00 0.00 N ATOM 0 H LYS A 99 2.261 2.349 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 99 2.131 4.872 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.531 2.613 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.065 2.539 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.030 5.090 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.346 4.015 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.605 3.791 -6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.383 2.451 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.926 4.533 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.908 4.963 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.126 3.567 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.912 2.755 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.960 2.339 -9.178 1.00 0.00 H new ATOM 1483 N LEU A 100 4.069 6.008 -10.501 1.00 0.00 N ATOM 1484 CA LEU A 100 5.122 6.753 -11.180 1.00 0.00 C ATOM 1485 C LEU A 100 5.868 7.641 -10.188 1.00 0.00 C ATOM 1486 O LEU A 100 5.259 8.454 -9.489 1.00 0.00 O ATOM 1487 CB LEU A 100 4.537 7.603 -12.314 1.00 0.00 C ATOM 1488 CG LEU A 100 3.714 8.814 -11.868 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.609 10.030 -11.678 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.618 9.113 -12.880 1.00 0.00 C ATOM 0 H LEU A 100 3.509 6.567 -9.857 1.00 0.00 H new ATOM 0 HA LEU A 100 5.825 6.039 -11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.356 7.953 -12.943 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.908 6.966 -12.935 1.00 0.00 H new ATOM 0 HG LEU A 100 3.248 8.579 -10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.005 10.880 -11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.359 9.814 -10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.104 10.268 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.042 9.977 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.067 9.327 -13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.959 8.249 -12.968 1.00 0.00 H new ATOM 1502 N GLY A 101 7.186 7.472 -10.118 1.00 0.00 N ATOM 1503 CA GLY A 101 7.984 8.263 -9.197 1.00 0.00 C ATOM 1504 C GLY A 101 9.435 8.374 -9.622 1.00 0.00 C ATOM 1505 O GLY A 101 9.817 7.894 -10.691 1.00 0.00 O ATOM 0 H GLY A 101 7.714 6.804 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.556 9.262 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.934 7.816 -8.204 1.00 0.00 H new ATOM 1509 N TYR A 102 10.247 9.012 -8.783 1.00 0.00 N ATOM 1510 CA TYR A 102 11.667 9.188 -9.074 1.00 0.00 C ATOM 1511 C TYR A 102 12.431 9.634 -7.826 1.00 0.00 C ATOM 1512 O TYR A 102 11.839 10.149 -6.879 1.00 0.00 O ATOM 1513 CB TYR A 102 11.855 10.217 -10.193 1.00 0.00 C ATOM 1514 CG TYR A 102 12.009 9.603 -11.566 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.814 8.488 -11.766 1.00 0.00 C ATOM 1516 CD2 TYR A 102 11.352 10.143 -12.666 1.00 0.00 C ATOM 1517 CE1 TYR A 102 12.958 7.928 -13.023 1.00 0.00 C ATOM 1518 CE2 TYR A 102 11.491 9.588 -13.924 1.00 0.00 C ATOM 1519 CZ TYR A 102 12.294 8.481 -14.096 1.00 0.00 C ATOM 1520 OH TYR A 102 12.436 7.927 -15.348 1.00 0.00 O ATOM 0 H TYR A 102 9.946 9.416 -7.896 1.00 0.00 H new ATOM 0 HA TYR A 102 12.066 8.227 -9.398 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.999 10.892 -10.201 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.736 10.821 -9.974 1.00 0.00 H new ATOM 0 HD1 TYR A 102 13.335 8.052 -10.927 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.722 11.011 -12.535 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.588 7.062 -13.162 1.00 0.00 H new ATOM 0 HE2 TYR A 102 10.973 10.019 -14.768 1.00 0.00 H new ATOM 0 HH TYR A 102 11.901 8.435 -15.993 1.00 0.00 H new ATOM 1530 N PRO A 103 13.762 9.443 -7.813 1.00 0.00 N ATOM 1531 CA PRO A 103 14.606 9.831 -6.677 1.00 0.00 C ATOM 1532 C PRO A 103 14.803 11.341 -6.597 1.00 0.00 C ATOM 1533 O PRO A 103 14.446 12.071 -7.523 1.00 0.00 O ATOM 1534 CB PRO A 103 15.933 9.131 -6.972 1.00 0.00 C ATOM 1535 CG PRO A 103 15.976 9.020 -8.457 1.00 0.00 C ATOM 1536 CD PRO A 103 14.550 8.836 -8.904 1.00 0.00 C ATOM 0 HA PRO A 103 14.165 9.551 -5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.778 9.706 -6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.977 8.150 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.411 9.915 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.593 8.177 -8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.362 9.330 -9.857 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.305 7.782 -9.037 1.00 0.00 H new ATOM 1601 N LEU A 108 16.068 9.232 -1.191 1.00 0.00 N ATOM 1602 CA LEU A 108 14.781 9.901 -1.035 1.00 0.00 C ATOM 1603 C LEU A 108 14.102 10.052 -2.391 1.00 0.00 C ATOM 1604 O LEU A 108 14.642 10.687 -3.296 1.00 0.00 O ATOM 1605 CB LEU A 108 14.959 11.275 -0.371 1.00 0.00 C ATOM 1606 CG LEU A 108 16.400 11.644 0.009 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.538 13.146 0.201 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.827 10.902 1.268 1.00 0.00 C ATOM 0 HA LEU A 108 14.150 9.290 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.573 12.038 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.345 11.306 0.529 1.00 0.00 H new ATOM 0 HG LEU A 108 17.056 11.343 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.567 13.385 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.277 13.657 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.869 13.474 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.851 11.176 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.165 11.171 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.772 9.827 1.094 1.00 0.00 H new ATOM 1620 N ASP A 109 12.924 9.451 -2.538 1.00 0.00 N ATOM 1621 CA ASP A 109 12.198 9.517 -3.802 1.00 0.00 C ATOM 1622 C ASP A 109 10.709 9.777 -3.588 1.00 0.00 C ATOM 1623 O ASP A 109 10.170 9.539 -2.508 1.00 0.00 O ATOM 1624 CB ASP A 109 12.388 8.215 -4.584 1.00 0.00 C ATOM 1625 CG ASP A 109 11.756 7.023 -3.893 1.00 0.00 C ATOM 1626 OD1 ASP A 109 12.346 6.525 -2.910 1.00 0.00 O ATOM 1627 OD2 ASP A 109 10.671 6.589 -4.332 1.00 0.00 O ATOM 0 H ASP A 109 12.456 8.918 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 109 12.605 10.352 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.955 8.326 -5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.453 8.029 -4.720 1.00 0.00 H new ATOM 1632 N ILE A 110 10.053 10.257 -4.641 1.00 0.00 N ATOM 1633 CA ILE A 110 8.625 10.545 -4.598 1.00 0.00 C ATOM 1634 C ILE A 110 7.872 9.623 -5.553 1.00 0.00 C ATOM 1635 O ILE A 110 8.401 9.239 -6.596 1.00 0.00 O ATOM 1636 CB ILE A 110 8.337 12.015 -4.975 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.716 12.283 -6.435 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.092 12.956 -4.046 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.569 12.811 -7.270 1.00 0.00 C ATOM 0 H ILE A 110 10.493 10.455 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 110 8.284 10.375 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 110 7.268 12.197 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.536 13.001 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.085 11.360 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.880 13.989 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.775 12.784 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.163 12.770 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.910 12.978 -8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.756 12.085 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.214 13.751 -6.848 1.00 0.00 H new ATOM 1651 N TYR A 111 6.641 9.262 -5.197 1.00 0.00 N ATOM 1652 CA TYR A 111 5.846 8.377 -6.041 1.00 0.00 C ATOM 1653 C TYR A 111 4.356 8.674 -5.915 1.00 0.00 C ATOM 1654 O TYR A 111 3.866 9.025 -4.842 1.00 0.00 O ATOM 1655 CB TYR A 111 6.120 6.916 -5.678 1.00 0.00 C ATOM 1656 CG TYR A 111 5.645 6.533 -4.294 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.300 6.295 -4.041 1.00 0.00 C ATOM 1658 CD2 TYR A 111 6.544 6.407 -3.242 1.00 0.00 C ATOM 1659 CE1 TYR A 111 3.863 5.944 -2.778 1.00 0.00 C ATOM 1660 CE2 TYR A 111 6.114 6.055 -1.976 1.00 0.00 C ATOM 1661 CZ TYR A 111 4.773 5.826 -1.751 1.00 0.00 C ATOM 1662 OH TYR A 111 4.342 5.476 -0.491 1.00 0.00 O ATOM 0 H TYR A 111 6.178 9.565 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 111 6.138 8.554 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.634 6.272 -6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.191 6.728 -5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.584 6.386 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.595 6.587 -3.416 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.814 5.763 -2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.824 5.960 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 111 3.771 4.682 -0.550 1.00 0.00 H new ATOM 1672 N THR A 112 3.643 8.519 -7.026 1.00 0.00 N ATOM 1673 CA THR A 112 2.204 8.757 -7.057 1.00 0.00 C ATOM 1674 C THR A 112 1.508 7.669 -7.869 1.00 0.00 C ATOM 1675 O THR A 112 1.914 7.366 -8.992 1.00 0.00 O ATOM 1676 CB THR A 112 1.902 10.132 -7.654 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.946 10.544 -8.517 1.00 0.00 O ATOM 1678 CG2 THR A 112 1.717 11.211 -6.610 1.00 0.00 C ATOM 0 H THR A 112 4.040 8.229 -7.920 1.00 0.00 H new ATOM 0 HA THR A 112 1.827 8.731 -6.035 1.00 0.00 H new ATOM 0 HB THR A 112 0.965 10.011 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.733 11.425 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.506 12.161 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.885 10.947 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.627 11.304 -6.017 1.00 0.00 H new ATOM 1686 N ARG A 113 0.465 7.076 -7.296 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.269 6.016 -7.974 1.00 0.00 C ATOM 1688 C ARG A 113 -1.680 6.464 -8.351 1.00 0.00 C ATOM 1689 O ARG A 113 -2.403 7.041 -7.537 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.332 4.763 -7.097 1.00 0.00 C ATOM 1691 CG ARG A 113 -1.103 4.953 -5.800 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.065 3.801 -5.549 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.686 3.880 -4.229 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.220 2.838 -3.595 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -3.214 1.635 -4.156 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -3.764 3.001 -2.397 1.00 0.00 N ATOM 0 H ARG A 113 0.111 7.311 -6.369 1.00 0.00 H new ATOM 0 HA ARG A 113 0.267 5.781 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.793 3.956 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.684 4.446 -6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.403 5.032 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.658 5.890 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.841 3.804 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.530 2.856 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.712 4.788 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.799 1.504 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.625 0.841 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.773 3.924 -1.962 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.173 2.204 -1.910 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.061 6.185 -9.595 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.384 6.544 -10.096 1.00 0.00 C ATOM 1712 C LEU A 114 -4.101 5.307 -10.632 1.00 0.00 C ATOM 1713 O LEU A 114 -3.589 4.619 -11.519 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.267 7.603 -11.200 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.594 8.042 -11.830 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.562 9.528 -12.172 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.891 7.217 -13.073 1.00 0.00 C ATOM 0 H LEU A 114 -1.469 5.710 -10.276 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.965 6.958 -9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.772 8.482 -10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.621 7.214 -11.987 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.390 7.874 -11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.513 9.819 -12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.395 10.107 -11.264 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.755 9.721 -12.879 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.836 7.542 -13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.091 7.354 -13.800 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.959 6.163 -12.803 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.281 5.021 -10.087 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.034 3.859 -10.529 1.00 0.00 C ATOM 1731 C GLY A 115 -7.349 3.696 -9.793 1.00 0.00 C ATOM 1732 O GLY A 115 -8.095 4.660 -9.624 1.00 0.00 O ATOM 0 H GLY A 115 -5.727 5.569 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.229 3.944 -11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.429 2.964 -10.385 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.637 2.473 -9.355 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.876 2.218 -8.643 1.00 0.00 C ATOM 1738 C GLY A 116 -8.767 1.069 -7.661 1.00 0.00 C ATOM 1739 O GLY A 116 -7.780 0.329 -7.664 1.00 0.00 O ATOM 0 H GLY A 116 -7.037 1.658 -9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.174 3.120 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.665 2.000 -9.363 1.00 0.00 H new ATOM 1743 N MET A 117 -9.784 0.921 -6.816 1.00 0.00 N ATOM 1744 CA MET A 117 -9.803 -0.141 -5.818 1.00 0.00 C ATOM 1745 C MET A 117 -11.038 -1.023 -5.973 1.00 0.00 C ATOM 1746 O MET A 117 -12.144 -0.528 -6.212 1.00 0.00 O ATOM 1747 CB MET A 117 -9.766 0.459 -4.410 1.00 0.00 C ATOM 1748 CG MET A 117 -10.946 1.369 -4.104 1.00 0.00 C ATOM 1749 SD MET A 117 -11.548 1.182 -2.414 1.00 0.00 S ATOM 1750 CE MET A 117 -12.441 2.720 -2.200 1.00 0.00 C ATOM 0 H MET A 117 -10.606 1.525 -6.804 1.00 0.00 H new ATOM 0 HA MET A 117 -8.920 -0.761 -5.970 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.743 -0.350 -3.680 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.842 1.024 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.652 2.406 -4.268 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.756 1.153 -4.800 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.954 3.320 -1.431 1.00 0.00 H new ATOM 0 HE2 MET A 117 -12.447 3.271 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 117 -13.466 2.506 -1.898 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.840 -2.331 -5.827 1.00 0.00 N ATOM 1761 CA VAL A 118 -11.930 -3.295 -5.938 1.00 0.00 C ATOM 1762 C VAL A 118 -11.928 -4.244 -4.743 1.00 0.00 C ATOM 1763 O VAL A 118 -10.911 -4.873 -4.445 1.00 0.00 O ATOM 1764 CB VAL A 118 -11.838 -4.130 -7.234 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.213 -4.648 -7.632 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.222 -3.320 -8.370 1.00 0.00 C ATOM 0 H VAL A 118 -9.930 -2.748 -5.631 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.856 -2.720 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.187 -4.982 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.130 -5.234 -8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.611 -5.275 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.884 -3.806 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.170 -3.935 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.837 -2.442 -8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.217 -3.004 -8.088 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.062 -4.343 -4.059 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.173 -5.217 -2.895 1.00 0.00 C ATOM 1778 C TRP A 119 -14.602 -5.722 -2.717 1.00 0.00 C ATOM 1779 O TRP A 119 -15.491 -5.386 -3.499 1.00 0.00 O ATOM 1780 CB TRP A 119 -12.713 -4.483 -1.632 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.612 -3.354 -1.231 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -14.116 -2.376 -2.041 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.113 -3.082 0.084 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -14.900 -1.516 -1.311 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -14.914 -1.928 -0.004 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -13.963 -3.703 1.326 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -15.561 -1.384 1.102 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -14.605 -3.163 2.424 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -15.396 -2.013 2.306 1.00 0.00 C ATOM 0 H TRP A 119 -13.914 -3.832 -4.288 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.527 -6.079 -3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.651 -5.196 -0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.707 -4.095 -1.794 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.926 -2.291 -3.101 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.392 -0.703 -1.682 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -13.355 -4.590 1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.171 -0.497 1.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -14.495 -3.635 3.389 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.885 -1.615 3.183 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.335 -0.950 -5.714 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.329 -0.512 -6.677 1.00 0.00 C ATOM 2093 C VAL A 141 -15.331 1.005 -6.822 1.00 0.00 C ATOM 2094 O VAL A 141 -16.377 1.612 -7.060 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.560 -1.156 -8.059 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -16.914 -0.751 -8.621 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.442 -0.784 -9.021 1.00 0.00 C ATOM 0 HA VAL A 141 -14.360 -0.832 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.554 -2.239 -7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.057 -1.216 -9.596 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.702 -1.079 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -16.955 0.333 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.626 -1.249 -9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.409 0.299 -9.139 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.489 -1.135 -8.625 1.00 0.00 H new ATOM 2107 N SER A 142 -14.160 1.618 -6.673 1.00 0.00 N ATOM 2108 CA SER A 142 -14.047 3.071 -6.788 1.00 0.00 C ATOM 2109 C SER A 142 -12.621 3.496 -7.142 1.00 0.00 C ATOM 2110 O SER A 142 -11.653 2.905 -6.661 1.00 0.00 O ATOM 2111 CB SER A 142 -14.477 3.737 -5.479 1.00 0.00 C ATOM 2112 OG SER A 142 -15.824 4.169 -5.546 1.00 0.00 O ATOM 0 H SER A 142 -13.283 1.138 -6.474 1.00 0.00 H new ATOM 0 HA SER A 142 -14.706 3.393 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.357 3.035 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.829 4.588 -5.270 1.00 0.00 H new ATOM 0 HG SER A 142 -16.357 3.504 -6.029 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.469 4.537 -7.985 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.157 5.044 -8.392 1.00 0.00 C ATOM 2120 C PRO A 143 -10.479 5.824 -7.270 1.00 0.00 C ATOM 2121 O PRO A 143 -11.149 6.388 -6.405 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.465 5.976 -9.576 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.920 5.799 -9.873 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.554 5.308 -8.605 1.00 0.00 C ATOM 0 HA PRO A 143 -10.473 4.235 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.242 7.013 -9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -10.856 5.720 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.368 6.740 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.067 5.084 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -13.881 6.131 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.430 4.690 -8.802 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.148 5.860 -7.287 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.397 6.578 -6.264 1.00 0.00 C ATOM 2134 C VAL A 144 -7.011 6.980 -6.759 1.00 0.00 C ATOM 2135 O VAL A 144 -6.497 6.425 -7.733 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.242 5.740 -4.980 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.601 5.453 -4.360 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.494 4.447 -5.270 1.00 0.00 C ATOM 0 H VAL A 144 -8.572 5.403 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.972 7.477 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.657 6.316 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.470 4.860 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.093 6.393 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.215 4.900 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.395 3.870 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.047 3.864 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.503 4.680 -5.661 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.415 7.949 -6.070 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.086 8.439 -6.416 1.00 0.00 C ATOM 2150 C PHE A 145 -4.300 8.769 -5.152 1.00 0.00 C ATOM 2151 O PHE A 145 -4.706 9.626 -4.366 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.194 9.680 -7.306 1.00 0.00 C ATOM 2153 CG PHE A 145 -3.866 10.245 -7.719 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -3.064 10.912 -6.805 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -3.419 10.112 -9.024 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -1.843 11.435 -7.184 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -2.197 10.632 -9.409 1.00 0.00 C ATOM 2158 CZ PHE A 145 -1.409 11.294 -8.489 1.00 0.00 C ATOM 0 H PHE A 145 -6.835 8.412 -5.264 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.559 7.658 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -5.765 9.427 -8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.757 10.448 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.398 11.024 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.032 9.596 -9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -1.229 11.953 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -1.859 10.520 -10.429 1.00 0.00 H new ATOM 0 HZ PHE A 145 -0.455 11.701 -8.788 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.178 8.084 -4.955 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.348 8.309 -3.777 1.00 0.00 C ATOM 2170 C ALA A 146 -1.010 8.933 -4.151 1.00 0.00 C ATOM 2171 O ALA A 146 -0.367 8.523 -5.117 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.130 7.005 -3.027 1.00 0.00 C ATOM 0 H ALA A 146 -2.824 7.371 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.874 9.008 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.509 7.189 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.092 6.601 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.632 6.288 -3.680 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.594 9.928 -3.374 1.00 0.00 N ATOM 2179 CA GLY A 147 0.669 10.594 -3.630 1.00 0.00 C ATOM 2180 C GLY A 147 1.486 10.768 -2.365 1.00 0.00 C ATOM 2181 O GLY A 147 0.999 11.319 -1.377 1.00 0.00 O ATOM 0 H GLY A 147 -1.111 10.285 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.243 10.017 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.480 11.570 -4.077 1.00 0.00 H new ATOM 2185 N GLY A 148 2.726 10.293 -2.389 1.00 0.00 N ATOM 2186 CA GLY A 148 3.578 10.410 -1.222 1.00 0.00 C ATOM 2187 C GLY A 148 5.051 10.323 -1.558 1.00 0.00 C ATOM 2188 O GLY A 148 5.441 10.445 -2.722 1.00 0.00 O ATOM 0 H GLY A 148 3.154 9.831 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.379 11.360 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.325 9.622 -0.513 1.00 0.00 H new ATOM 2192 N VAL A 149 5.873 10.112 -0.537 1.00 0.00 N ATOM 2193 CA VAL A 149 7.315 10.010 -0.726 1.00 0.00 C ATOM 2194 C VAL A 149 7.877 8.786 -0.007 1.00 0.00 C ATOM 2195 O VAL A 149 7.228 8.217 0.869 1.00 0.00 O ATOM 2196 CB VAL A 149 8.036 11.274 -0.219 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.811 12.436 -1.177 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.566 11.631 1.183 1.00 0.00 C ATOM 0 H VAL A 149 5.566 10.008 0.430 1.00 0.00 H new ATOM 0 HA VAL A 149 7.491 9.908 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 149 9.106 11.069 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.327 13.321 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.201 12.177 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.744 12.644 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.086 12.526 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.492 11.818 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.782 10.805 1.861 1.00 0.00 H new ATOM 2208 N GLU A 150 9.088 8.385 -0.387 1.00 0.00 N ATOM 2209 CA GLU A 150 9.731 7.223 0.219 1.00 0.00 C ATOM 2210 C GLU A 150 11.148 7.553 0.676 1.00 0.00 C ATOM 2211 O GLU A 150 11.884 8.265 -0.009 1.00 0.00 O ATOM 2212 CB GLU A 150 9.763 6.059 -0.773 1.00 0.00 C ATOM 2213 CG GLU A 150 10.012 4.709 -0.118 1.00 0.00 C ATOM 2214 CD GLU A 150 11.434 4.219 -0.313 1.00 0.00 C ATOM 2215 OE1 GLU A 150 12.354 4.810 0.289 1.00 0.00 O ATOM 2216 OE2 GLU A 150 11.625 3.242 -1.068 1.00 0.00 O ATOM 0 H GLU A 150 9.642 8.846 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 150 9.148 6.935 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.815 6.024 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.542 6.244 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 150 9.800 4.782 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.319 3.976 -0.531 1.00 0.00 H new ATOM 2223 N TRP A 151 11.522 7.027 1.840 1.00 0.00 N ATOM 2224 CA TRP A 151 12.851 7.257 2.396 1.00 0.00 C ATOM 2225 C TRP A 151 13.566 5.936 2.654 1.00 0.00 C ATOM 2226 O TRP A 151 13.089 5.101 3.422 1.00 0.00 O ATOM 2227 CB TRP A 151 12.751 8.059 3.695 1.00 0.00 C ATOM 2228 CG TRP A 151 11.849 9.251 3.592 1.00 0.00 C ATOM 2229 CD1 TRP A 151 10.487 9.256 3.687 1.00 0.00 C ATOM 2230 CD2 TRP A 151 12.242 10.609 3.374 1.00 0.00 C ATOM 2231 NE1 TRP A 151 10.009 10.536 3.542 1.00 0.00 N ATOM 2232 CE2 TRP A 151 11.067 11.384 3.349 1.00 0.00 C ATOM 2233 CE3 TRP A 151 13.474 11.247 3.199 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 11.090 12.764 3.155 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 13.495 12.616 3.006 1.00 0.00 C ATOM 2236 CH2 TRP A 151 12.310 13.361 2.986 1.00 0.00 C ATOM 0 H TRP A 151 10.921 6.438 2.417 1.00 0.00 H new ATOM 0 HA TRP A 151 13.429 7.827 1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.388 7.406 4.489 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.748 8.391 3.986 1.00 0.00 H new ATOM 0 HD1 TRP A 151 9.875 8.382 3.852 1.00 0.00 H new ATOM 0 HE1 TRP A 151 9.027 10.810 3.573 1.00 0.00 H new ATOM 0 HE3 TRP A 151 14.393 10.680 3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 10.178 13.342 3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 14.441 13.119 2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 151 12.359 14.429 2.834 1.00 0.00 H new ATOM 2247 N ALA A 152 14.711 5.750 2.005 1.00 0.00 N ATOM 2248 CA ALA A 152 15.490 4.527 2.162 1.00 0.00 C ATOM 2249 C ALA A 152 16.452 4.628 3.340 1.00 0.00 C ATOM 2250 O ALA A 152 17.243 5.566 3.432 1.00 0.00 O ATOM 2251 CB ALA A 152 16.253 4.222 0.882 1.00 0.00 C ATOM 0 H ALA A 152 15.120 6.431 1.365 1.00 0.00 H new ATOM 0 HA ALA A 152 14.797 3.711 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.831 3.307 1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.548 4.093 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.928 5.048 0.655 1.00 0.00 H new ATOM 2257 N VAL A 153 16.380 3.650 4.239 1.00 0.00 N ATOM 2258 CA VAL A 153 17.246 3.622 5.412 1.00 0.00 C ATOM 2259 C VAL A 153 18.170 2.408 5.381 1.00 0.00 C ATOM 2260 O VAL A 153 19.382 2.541 5.217 1.00 0.00 O ATOM 2261 CB VAL A 153 16.425 3.597 6.717 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.342 3.636 7.931 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.440 4.756 6.748 1.00 0.00 C ATOM 0 H VAL A 153 15.730 2.866 4.177 1.00 0.00 H new ATOM 0 HA VAL A 153 17.844 4.533 5.387 1.00 0.00 H new ATOM 0 HB VAL A 153 15.860 2.665 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.742 3.618 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 153 18.004 2.770 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.938 4.548 7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.869 4.723 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.985 5.698 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.760 4.678 5.900 1.00 0.00 H new ATOM 2323 N ILE A 157 15.113 -2.162 3.358 1.00 0.00 N ATOM 2324 CA ILE A 157 13.974 -1.820 4.203 1.00 0.00 C ATOM 2325 C ILE A 157 13.807 -0.308 4.311 1.00 0.00 C ATOM 2326 O ILE A 157 14.520 0.352 5.067 1.00 0.00 O ATOM 2327 CB ILE A 157 14.125 -2.411 5.619 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.559 -3.877 5.543 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.821 -2.278 6.389 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.740 -4.525 6.898 1.00 0.00 C ATOM 0 HA ILE A 157 13.090 -2.250 3.732 1.00 0.00 H new ATOM 0 HB ILE A 157 14.897 -1.852 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.816 -4.439 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.496 -3.942 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.943 -2.700 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.552 -1.225 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.031 -2.814 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.048 -5.562 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.505 -3.988 7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.798 -4.492 7.446 1.00 0.00 H new ATOM 2342 N ALA A 158 12.864 0.235 3.549 1.00 0.00 N ATOM 2343 CA ALA A 158 12.609 1.671 3.558 1.00 0.00 C ATOM 2344 C ALA A 158 11.206 1.983 4.069 1.00 0.00 C ATOM 2345 O ALA A 158 10.371 1.091 4.213 1.00 0.00 O ATOM 2346 CB ALA A 158 12.801 2.245 2.162 1.00 0.00 C ATOM 0 H ALA A 158 12.264 -0.297 2.918 1.00 0.00 H new ATOM 0 HA ALA A 158 13.323 2.136 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.608 3.318 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.824 2.066 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.108 1.763 1.472 1.00 0.00 H new ATOM 2352 N THR A 159 10.956 3.263 4.334 1.00 0.00 N ATOM 2353 CA THR A 159 9.656 3.709 4.822 1.00 0.00 C ATOM 2354 C THR A 159 9.120 4.832 3.941 1.00 0.00 C ATOM 2355 O THR A 159 9.886 5.653 3.438 1.00 0.00 O ATOM 2356 CB THR A 159 9.767 4.189 6.271 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.523 4.684 6.733 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.796 5.283 6.462 1.00 0.00 C ATOM 0 H THR A 159 11.640 4.011 4.218 1.00 0.00 H new ATOM 0 HA THR A 159 8.964 2.868 4.783 1.00 0.00 H new ATOM 0 HB THR A 159 10.080 3.314 6.841 1.00 0.00 H new ATOM 0 HG1 THR A 159 7.794 4.199 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.824 5.577 7.511 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.777 4.916 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.529 6.145 5.851 1.00 0.00 H new ATOM 2366 N ARG A 160 7.807 4.858 3.742 1.00 0.00 N ATOM 2367 CA ARG A 160 7.196 5.882 2.903 1.00 0.00 C ATOM 2368 C ARG A 160 5.917 6.441 3.522 1.00 0.00 C ATOM 2369 O ARG A 160 5.195 5.743 4.238 1.00 0.00 O ATOM 2370 CB ARG A 160 6.892 5.312 1.517 1.00 0.00 C ATOM 2371 CG ARG A 160 6.091 4.019 1.553 1.00 0.00 C ATOM 2372 CD ARG A 160 6.707 2.949 0.664 1.00 0.00 C ATOM 2373 NE ARG A 160 5.799 2.535 -0.402 1.00 0.00 N ATOM 2374 CZ ARG A 160 6.179 1.842 -1.474 1.00 0.00 C ATOM 2375 NH1 ARG A 160 7.449 1.486 -1.625 1.00 0.00 N ATOM 2376 NH2 ARG A 160 5.288 1.505 -2.397 1.00 0.00 N ATOM 0 H ARG A 160 7.151 4.189 4.145 1.00 0.00 H new ATOM 0 HA ARG A 160 7.910 6.701 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.341 6.055 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.831 5.134 0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.037 3.653 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.069 4.215 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.631 3.328 0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.973 2.083 1.270 1.00 0.00 H new ATOM 0 HE ARG A 160 4.815 2.792 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.138 1.743 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 160 7.736 0.955 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.311 1.777 -2.286 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.580 0.974 -3.218 1.00 0.00 H new ATOM 2390 N LEU A 161 5.644 7.705 3.213 1.00 0.00 N ATOM 2391 CA LEU A 161 4.450 8.386 3.701 1.00 0.00 C ATOM 2392 C LEU A 161 3.549 8.741 2.522 1.00 0.00 C ATOM 2393 O LEU A 161 3.977 9.426 1.590 1.00 0.00 O ATOM 2394 CB LEU A 161 4.834 9.650 4.475 1.00 0.00 C ATOM 2395 CG LEU A 161 4.006 9.922 5.735 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.669 10.995 6.589 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.587 10.334 5.362 1.00 0.00 C ATOM 0 H LEU A 161 6.240 8.283 2.621 1.00 0.00 H new ATOM 0 HA LEU A 161 3.912 7.722 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.884 9.578 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.742 10.507 3.808 1.00 0.00 H new ATOM 0 HG LEU A 161 3.955 9.003 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.067 11.175 7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.664 10.661 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.752 11.918 6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.013 10.523 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.618 11.240 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.113 9.534 4.793 1.00 0.00 H new ATOM 2409 N GLU A 162 2.310 8.256 2.555 1.00 0.00 N ATOM 2410 CA GLU A 162 1.366 8.511 1.470 1.00 0.00 C ATOM 2411 C GLU A 162 0.223 9.416 1.918 1.00 0.00 C ATOM 2412 O GLU A 162 -0.232 9.346 3.059 1.00 0.00 O ATOM 2413 CB GLU A 162 0.806 7.190 0.939 1.00 0.00 C ATOM 2414 CG GLU A 162 1.870 6.131 0.704 1.00 0.00 C ATOM 2415 CD GLU A 162 1.834 5.027 1.743 1.00 0.00 C ATOM 2416 OE1 GLU A 162 2.341 5.248 2.862 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.299 3.941 1.436 1.00 0.00 O ATOM 0 H GLU A 162 1.938 7.688 3.316 1.00 0.00 H new ATOM 0 HA GLU A 162 1.907 9.024 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.072 6.805 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.279 7.378 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 162 1.733 5.697 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.853 6.601 0.713 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.237 10.262 1.001 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.333 11.181 1.281 1.00 0.00 C ATOM 2426 C TYR A 163 -2.414 11.071 0.211 1.00 0.00 C ATOM 2427 O TYR A 163 -2.121 10.809 -0.956 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.815 12.620 1.352 1.00 0.00 C ATOM 2429 CG TYR A 163 0.445 12.772 2.174 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.382 13.029 3.536 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.698 12.659 1.584 1.00 0.00 C ATOM 2432 CE1 TYR A 163 1.531 13.171 4.290 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.853 12.800 2.330 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.764 13.056 3.683 1.00 0.00 C ATOM 2435 OH TYR A 163 3.911 13.196 4.428 1.00 0.00 O ATOM 0 H TYR A 163 0.135 10.329 0.054 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.767 10.911 2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.624 12.978 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -1.593 13.256 1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -0.582 13.120 4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 163 1.771 12.458 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 163 1.464 13.371 5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.820 12.710 1.857 1.00 0.00 H new ATOM 0 HH TYR A 163 4.693 13.085 3.848 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.666 11.270 0.615 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.789 11.191 -0.312 1.00 0.00 C ATOM 2447 C GLN A 164 -4.632 12.199 -1.448 1.00 0.00 C ATOM 2448 O GLN A 164 -4.687 11.838 -2.623 1.00 0.00 O ATOM 2449 CB GLN A 164 -6.104 11.440 0.428 1.00 0.00 C ATOM 2450 CG GLN A 164 -7.249 10.565 -0.059 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.012 9.092 0.213 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -6.425 8.385 -0.607 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.468 8.622 1.368 1.00 0.00 N ATOM 0 H GLN A 164 -3.927 11.487 1.577 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.804 10.189 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.951 11.265 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.383 12.487 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -8.173 10.877 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -7.387 10.716 -1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -7.949 9.244 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.338 7.639 1.606 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.806 10.660 5.676 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.373 10.406 5.759 1.00 0.00 C ATOM 2726 C LEU A 184 -2.102 9.001 6.288 1.00 0.00 C ATOM 2727 O LEU A 184 -2.737 8.554 7.244 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.703 11.445 6.662 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.217 12.876 6.489 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.417 13.123 7.389 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.110 13.879 6.783 1.00 0.00 C ATOM 0 HA LEU A 184 -1.954 10.484 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.844 11.147 7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.630 11.434 6.470 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.532 13.007 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.769 14.145 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.215 12.427 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.128 12.974 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.493 14.891 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.764 13.749 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.279 13.716 6.096 1.00 0.00 H new ATOM 2743 N SER A 185 -1.160 8.306 5.660 1.00 0.00 N ATOM 2744 CA SER A 185 -0.810 6.950 6.066 1.00 0.00 C ATOM 2745 C SER A 185 0.701 6.740 6.035 1.00 0.00 C ATOM 2746 O SER A 185 1.404 7.323 5.209 1.00 0.00 O ATOM 2747 CB SER A 185 -1.497 5.931 5.156 1.00 0.00 C ATOM 2748 OG SER A 185 -1.411 4.625 5.696 1.00 0.00 O ATOM 0 H SER A 185 -0.625 8.660 4.867 1.00 0.00 H new ATOM 0 HA SER A 185 -1.155 6.806 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 185 -2.544 6.205 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.035 5.951 4.169 1.00 0.00 H new ATOM 0 HG SER A 185 -0.904 4.650 6.534 1.00 0.00 H new ATOM 2754 N LEU A 186 1.191 5.894 6.940 1.00 0.00 N ATOM 2755 CA LEU A 186 2.619 5.597 7.014 1.00 0.00 C ATOM 2756 C LEU A 186 2.859 4.098 6.864 1.00 0.00 C ATOM 2757 O LEU A 186 2.196 3.290 7.514 1.00 0.00 O ATOM 2758 CB LEU A 186 3.214 6.088 8.343 1.00 0.00 C ATOM 2759 CG LEU A 186 2.374 7.119 9.106 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.469 6.424 10.114 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.274 8.129 9.805 1.00 0.00 C ATOM 0 H LEU A 186 0.621 5.404 7.630 1.00 0.00 H new ATOM 0 HA LEU A 186 3.114 6.122 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.373 5.225 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.194 6.521 8.143 1.00 0.00 H new ATOM 0 HG LEU A 186 1.749 7.653 8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.879 7.169 10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.801 5.739 9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.078 5.866 10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.661 8.853 10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.924 7.611 10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.883 8.647 9.064 1.00 0.00 H new ATOM 2773 N GLY A 187 3.801 3.728 6.002 1.00 0.00 N ATOM 2774 CA GLY A 187 4.089 2.319 5.796 1.00 0.00 C ATOM 2775 C GLY A 187 5.543 2.048 5.466 1.00 0.00 C ATOM 2776 O GLY A 187 6.308 2.969 5.179 1.00 0.00 O ATOM 0 H GLY A 187 4.366 4.371 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.818 1.764 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.463 1.942 4.987 1.00 0.00 H new ATOM 2780 N VAL A 188 5.918 0.772 5.498 1.00 0.00 N ATOM 2781 CA VAL A 188 7.285 0.363 5.192 1.00 0.00 C ATOM 2782 C VAL A 188 7.289 -0.734 4.134 1.00 0.00 C ATOM 2783 O VAL A 188 6.407 -1.592 4.116 1.00 0.00 O ATOM 2784 CB VAL A 188 8.032 -0.137 6.447 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.602 1.033 7.231 1.00 0.00 C ATOM 2786 CG2 VAL A 188 7.118 -0.981 7.325 1.00 0.00 C ATOM 0 H VAL A 188 5.292 0.002 5.733 1.00 0.00 H new ATOM 0 HA VAL A 188 7.804 1.243 4.813 1.00 0.00 H new ATOM 0 HB VAL A 188 8.860 -0.767 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.125 0.660 8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.299 1.587 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.791 1.692 7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.668 -1.321 8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.264 -0.383 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.767 -1.845 6.760 1.00 0.00 H new ATOM 2796 N SER A 189 8.280 -0.700 3.246 1.00 0.00 N ATOM 2797 CA SER A 189 8.377 -1.694 2.184 1.00 0.00 C ATOM 2798 C SER A 189 9.826 -2.080 1.912 1.00 0.00 C ATOM 2799 O SER A 189 10.756 -1.481 2.457 1.00 0.00 O ATOM 2800 CB SER A 189 7.733 -1.159 0.904 1.00 0.00 C ATOM 2801 OG SER A 189 6.775 -0.156 1.193 1.00 0.00 O ATOM 0 H SER A 189 9.021 0.000 3.241 1.00 0.00 H new ATOM 0 HA SER A 189 7.846 -2.587 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.503 -0.752 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 189 7.256 -1.977 0.365 1.00 0.00 H new ATOM 0 HG SER A 189 6.074 -0.166 0.508 1.00 0.00 H new ATOM 2807 N TYR A 190 10.007 -3.085 1.062 1.00 0.00 N ATOM 2808 CA TYR A 190 11.337 -3.561 0.705 1.00 0.00 C ATOM 2809 C TYR A 190 11.422 -3.848 -0.791 1.00 0.00 C ATOM 2810 O TYR A 190 10.401 -4.029 -1.457 1.00 0.00 O ATOM 2811 CB TYR A 190 11.677 -4.824 1.499 1.00 0.00 C ATOM 2812 CG TYR A 190 10.585 -5.869 1.473 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.538 -5.827 2.385 1.00 0.00 C ATOM 2814 CD2 TYR A 190 10.599 -6.895 0.538 1.00 0.00 C ATOM 2815 CE1 TYR A 190 8.537 -6.778 2.366 1.00 0.00 C ATOM 2816 CE2 TYR A 190 9.601 -7.851 0.511 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.572 -7.788 1.427 1.00 0.00 C ATOM 2818 OH TYR A 190 7.578 -8.738 1.405 1.00 0.00 O ATOM 0 H TYR A 190 9.245 -3.587 0.606 1.00 0.00 H new ATOM 0 HA TYR A 190 12.058 -2.781 0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.593 -5.258 1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.880 -4.549 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 190 9.506 -5.037 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 190 11.403 -6.947 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 190 7.731 -6.731 3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 190 9.627 -8.643 -0.223 1.00 0.00 H new ATOM 0 HH TYR A 190 7.752 -9.377 0.682 1.00 0.00 H new ATOM 2828 N ARG A 191 12.643 -3.887 -1.314 1.00 0.00 N ATOM 2829 CA ARG A 191 12.857 -4.151 -2.732 1.00 0.00 C ATOM 2830 C ARG A 191 13.558 -5.489 -2.938 1.00 0.00 C ATOM 2831 O ARG A 191 14.444 -5.863 -2.170 1.00 0.00 O ATOM 2832 CB ARG A 191 13.685 -3.028 -3.361 1.00 0.00 C ATOM 2833 CG ARG A 191 14.989 -2.750 -2.629 1.00 0.00 C ATOM 2834 CD ARG A 191 15.045 -1.324 -2.104 1.00 0.00 C ATOM 2835 NE ARG A 191 15.650 -0.408 -3.068 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.961 -0.310 -3.274 1.00 0.00 C ATOM 2837 NH1 ARG A 191 17.807 -1.067 -2.588 1.00 0.00 N ATOM 2838 NH2 ARG A 191 17.428 0.549 -4.170 1.00 0.00 N ATOM 0 H ARG A 191 13.498 -3.739 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 191 11.882 -4.193 -3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.907 -3.288 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.088 -2.116 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 191 15.097 -3.448 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.829 -2.923 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 191 14.036 -0.986 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.616 -1.302 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 191 15.032 0.191 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.454 -1.729 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 191 18.811 -0.987 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.782 1.134 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 191 18.433 0.625 -4.329 1.00 0.00 H new