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 18 THR OG1 : rot 118:sc= 1.25 USER MOD Set 1.2: A 20 TYR OH : rot 180:sc= 0.129 USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -0.0587 (180deg=-1.44) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 97 THR OG1 : rot 180:sc= -2.29 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 -44:sc= 0.0141 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.0373 USER MOD Single : A 159 THR OG1 : rot 27:sc= 0.0894 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= -0.75 K(o=-0.75,f=-5.3!) USER MOD Single : A 185 SER OG : rot 180:sc= -1.03 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 12.613 -3.709 -11.229 1.00 0.00 N ATOM 276 CA THR A 18 12.678 -4.325 -9.909 1.00 0.00 C ATOM 277 C THR A 18 11.283 -4.473 -9.310 1.00 0.00 C ATOM 278 O THR A 18 10.312 -3.920 -9.828 1.00 0.00 O ATOM 279 CB THR A 18 13.560 -3.493 -8.978 1.00 0.00 C ATOM 280 OG1 THR A 18 13.400 -2.110 -9.235 1.00 0.00 O ATOM 281 CG2 THR A 18 15.034 -3.816 -9.104 1.00 0.00 C ATOM 0 HA THR A 18 13.114 -5.318 -10.019 1.00 0.00 H new ATOM 0 HB THR A 18 13.233 -3.746 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.039 -1.669 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.604 -3.191 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.199 -4.866 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.362 -3.624 -10.126 1.00 0.00 H new ATOM 289 N TRP A 19 11.190 -5.224 -8.217 1.00 0.00 N ATOM 290 CA TRP A 19 9.912 -5.446 -7.549 1.00 0.00 C ATOM 291 C TRP A 19 9.928 -4.879 -6.133 1.00 0.00 C ATOM 292 O TRP A 19 10.864 -5.116 -5.369 1.00 0.00 O ATOM 293 CB TRP A 19 9.588 -6.940 -7.507 1.00 0.00 C ATOM 294 CG TRP A 19 9.384 -7.544 -8.862 1.00 0.00 C ATOM 295 CD1 TRP A 19 8.232 -7.547 -9.595 1.00 0.00 C ATOM 296 CD2 TRP A 19 10.361 -8.241 -9.646 1.00 0.00 C ATOM 297 NE1 TRP A 19 8.432 -8.200 -10.787 1.00 0.00 N ATOM 298 CE2 TRP A 19 9.730 -8.636 -10.842 1.00 0.00 C ATOM 299 CE3 TRP A 19 11.706 -8.567 -9.454 1.00 0.00 C ATOM 300 CZ2 TRP A 19 10.401 -9.339 -11.839 1.00 0.00 C ATOM 301 CZ3 TRP A 19 12.370 -9.267 -10.445 1.00 0.00 C ATOM 302 CH2 TRP A 19 11.717 -9.645 -11.626 1.00 0.00 C ATOM 0 H TRP A 19 11.983 -5.689 -7.775 1.00 0.00 H new ATOM 0 HA TRP A 19 9.140 -4.928 -8.119 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.398 -7.466 -7.002 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.688 -7.092 -6.911 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.299 -7.101 -9.283 1.00 0.00 H new ATOM 0 HE1 TRP A 19 7.729 -8.338 -11.513 1.00 0.00 H new ATOM 0 HE3 TRP A 19 12.218 -8.278 -8.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 9.900 -9.633 -12.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 13.409 -9.527 -10.306 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.263 -10.188 -12.383 1.00 0.00 H new ATOM 313 N TYR A 20 8.883 -4.137 -5.787 1.00 0.00 N ATOM 314 CA TYR A 20 8.771 -3.540 -4.462 1.00 0.00 C ATOM 315 C TYR A 20 7.513 -4.037 -3.756 1.00 0.00 C ATOM 316 O TYR A 20 6.442 -4.109 -4.357 1.00 0.00 O ATOM 317 CB TYR A 20 8.742 -2.014 -4.566 1.00 0.00 C ATOM 318 CG TYR A 20 9.931 -1.433 -5.298 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.113 -1.659 -6.657 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.871 -0.658 -4.631 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.197 -1.129 -7.330 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.958 -0.125 -5.297 1.00 0.00 C ATOM 323 CZ TYR A 20 12.117 -0.364 -6.646 1.00 0.00 C ATOM 324 OH TYR A 20 13.199 0.165 -7.312 1.00 0.00 O ATOM 0 H TYR A 20 8.099 -3.934 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 20 9.642 -3.838 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.828 -1.711 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.702 -1.591 -3.562 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.395 -2.259 -7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.750 -0.469 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.323 -1.313 -8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.680 0.476 -4.764 1.00 0.00 H new ATOM 0 HH TYR A 20 13.750 0.679 -6.685 1.00 0.00 H new ATOM 334 N ALA A 21 7.649 -4.384 -2.479 1.00 0.00 N ATOM 335 CA ALA A 21 6.517 -4.879 -1.703 1.00 0.00 C ATOM 336 C ALA A 21 6.475 -4.252 -0.315 1.00 0.00 C ATOM 337 O ALA A 21 7.511 -4.070 0.327 1.00 0.00 O ATOM 338 CB ALA A 21 6.573 -6.395 -1.597 1.00 0.00 C ATOM 0 H ALA A 21 8.527 -4.332 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 21 5.604 -4.593 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.722 -6.751 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.538 -6.831 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.499 -6.691 -1.104 1.00 0.00 H new ATOM 344 N GLY A 22 5.270 -3.926 0.146 1.00 0.00 N ATOM 345 CA GLY A 22 5.115 -3.327 1.459 1.00 0.00 C ATOM 346 C GLY A 22 3.669 -3.014 1.784 1.00 0.00 C ATOM 347 O GLY A 22 2.756 -3.522 1.133 1.00 0.00 O ATOM 0 H GLY A 22 4.399 -4.066 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.516 -4.004 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.702 -2.410 1.509 1.00 0.00 H new ATOM 351 N GLY A 23 3.459 -2.177 2.794 1.00 0.00 N ATOM 352 CA GLY A 23 2.108 -1.813 3.185 1.00 0.00 C ATOM 353 C GLY A 23 2.068 -0.567 4.045 1.00 0.00 C ATOM 354 O GLY A 23 3.081 -0.171 4.625 1.00 0.00 O ATOM 0 H GLY A 23 4.198 -1.744 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.505 -1.653 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.656 -2.641 3.730 1.00 0.00 H new ATOM 358 N LYS A 24 0.894 0.054 4.129 1.00 0.00 N ATOM 359 CA LYS A 24 0.728 1.264 4.925 1.00 0.00 C ATOM 360 C LYS A 24 -0.549 1.201 5.758 1.00 0.00 C ATOM 361 O LYS A 24 -1.456 0.418 5.471 1.00 0.00 O ATOM 362 CB LYS A 24 0.696 2.497 4.021 1.00 0.00 C ATOM 363 CG LYS A 24 -0.168 2.322 2.783 1.00 0.00 C ATOM 364 CD LYS A 24 -1.262 3.376 2.709 1.00 0.00 C ATOM 365 CE LYS A 24 -1.462 3.874 1.287 1.00 0.00 C ATOM 366 NZ LYS A 24 -1.609 5.355 1.231 1.00 0.00 N ATOM 0 H LYS A 24 0.047 -0.261 3.656 1.00 0.00 H new ATOM 0 HA LYS A 24 1.579 1.338 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.327 3.348 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.713 2.738 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.456 2.382 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.618 1.329 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.196 2.959 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.005 4.214 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.614 3.570 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.348 3.405 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.229 5.708 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.615 5.607 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.085 5.786 2.019 1.00 0.00 H new ATOM 380 N LEU A 25 -0.607 2.035 6.791 1.00 0.00 N ATOM 381 CA LEU A 25 -1.766 2.087 7.673 1.00 0.00 C ATOM 382 C LEU A 25 -2.230 3.527 7.871 1.00 0.00 C ATOM 383 O LEU A 25 -1.424 4.459 7.838 1.00 0.00 O ATOM 384 CB LEU A 25 -1.434 1.455 9.026 1.00 0.00 C ATOM 385 CG LEU A 25 -2.644 1.105 9.894 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.449 -0.244 10.569 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.889 2.190 10.934 1.00 0.00 C ATOM 0 H LEU A 25 0.138 2.686 7.038 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.574 1.523 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.856 0.547 8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.794 2.140 9.582 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.520 1.042 9.248 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.321 -0.474 11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.325 -1.016 9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.561 -0.210 11.200 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.754 1.923 11.542 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.012 2.286 11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.077 3.139 10.432 1.00 0.00 H new ATOM 399 N GLY A 26 -3.532 3.699 8.076 1.00 0.00 N ATOM 400 CA GLY A 26 -4.084 5.026 8.277 1.00 0.00 C ATOM 401 C GLY A 26 -5.415 4.996 9.003 1.00 0.00 C ATOM 402 O GLY A 26 -5.934 3.926 9.316 1.00 0.00 O ATOM 0 H GLY A 26 -4.215 2.942 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.376 5.628 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.212 5.513 7.310 1.00 0.00 H new ATOM 799 N GLY A 53 -7.675 1.559 9.039 1.00 0.00 N ATOM 800 CA GLY A 53 -7.499 0.937 7.739 1.00 0.00 C ATOM 801 C GLY A 53 -6.053 0.572 7.461 1.00 0.00 C ATOM 802 O GLY A 53 -5.161 1.412 7.575 1.00 0.00 O ATOM 0 HA2 GLY A 53 -8.114 0.039 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.855 1.616 6.964 1.00 0.00 H new ATOM 806 N ALA A 54 -5.823 -0.684 7.094 1.00 0.00 N ATOM 807 CA ALA A 54 -4.476 -1.157 6.794 1.00 0.00 C ATOM 808 C ALA A 54 -4.452 -1.936 5.484 1.00 0.00 C ATOM 809 O ALA A 54 -5.293 -2.806 5.253 1.00 0.00 O ATOM 810 CB ALA A 54 -3.955 -2.021 7.934 1.00 0.00 C ATOM 0 H ALA A 54 -6.551 -1.392 6.997 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.826 -0.289 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.949 -2.368 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.930 -1.435 8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.612 -2.880 8.069 1.00 0.00 H new ATOM 816 N GLY A 55 -3.488 -1.619 4.627 1.00 0.00 N ATOM 817 CA GLY A 55 -3.384 -2.302 3.350 1.00 0.00 C ATOM 818 C GLY A 55 -1.949 -2.551 2.934 1.00 0.00 C ATOM 819 O GLY A 55 -1.034 -1.870 3.395 1.00 0.00 O ATOM 0 H GLY A 55 -2.779 -0.904 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.911 -3.254 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.882 -1.708 2.584 1.00 0.00 H new ATOM 823 N ALA A 56 -1.756 -3.528 2.055 1.00 0.00 N ATOM 824 CA ALA A 56 -0.424 -3.867 1.568 1.00 0.00 C ATOM 825 C ALA A 56 -0.388 -3.864 0.044 1.00 0.00 C ATOM 826 O ALA A 56 -1.286 -4.401 -0.603 1.00 0.00 O ATOM 827 CB ALA A 56 0.007 -5.224 2.104 1.00 0.00 C ATOM 0 H ALA A 56 -2.505 -4.099 1.665 1.00 0.00 H new ATOM 0 HA ALA A 56 0.273 -3.111 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.003 -5.463 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.024 -5.196 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.697 -5.987 1.772 1.00 0.00 H new ATOM 833 N PHE A 57 0.644 -3.255 -0.528 1.00 0.00 N ATOM 834 CA PHE A 57 0.769 -3.189 -1.978 1.00 0.00 C ATOM 835 C PHE A 57 2.218 -3.337 -2.427 1.00 0.00 C ATOM 836 O PHE A 57 3.148 -3.217 -1.629 1.00 0.00 O ATOM 837 CB PHE A 57 0.195 -1.871 -2.505 1.00 0.00 C ATOM 838 CG PHE A 57 0.611 -0.666 -1.715 1.00 0.00 C ATOM 839 CD1 PHE A 57 1.908 -0.182 -1.788 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.299 -0.012 -0.901 1.00 0.00 C ATOM 841 CE1 PHE A 57 2.288 0.931 -1.064 1.00 0.00 C ATOM 842 CE2 PHE A 57 0.075 1.101 -0.174 1.00 0.00 C ATOM 843 CZ PHE A 57 1.371 1.574 -0.256 1.00 0.00 C ATOM 0 H PHE A 57 1.401 -2.803 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 57 0.201 -4.022 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.507 -1.739 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.893 -1.935 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.629 -0.681 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.313 -0.377 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.302 1.298 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.644 1.601 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.666 2.445 0.311 1.00 0.00 H new ATOM 853 N GLY A 58 2.394 -3.591 -3.720 1.00 0.00 N ATOM 854 CA GLY A 58 3.721 -3.748 -4.282 1.00 0.00 C ATOM 855 C GLY A 58 3.836 -3.094 -5.644 1.00 0.00 C ATOM 856 O GLY A 58 2.897 -3.138 -6.441 1.00 0.00 O ATOM 0 H GLY A 58 1.634 -3.691 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.456 -3.311 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.957 -4.809 -4.367 1.00 0.00 H new ATOM 860 N GLY A 59 4.984 -2.481 -5.913 1.00 0.00 N ATOM 861 CA GLY A 59 5.186 -1.820 -7.189 1.00 0.00 C ATOM 862 C GLY A 59 6.264 -2.474 -8.027 1.00 0.00 C ATOM 863 O GLY A 59 7.276 -2.937 -7.502 1.00 0.00 O ATOM 0 H GLY A 59 5.776 -2.430 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.249 -1.822 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.451 -0.777 -7.014 1.00 0.00 H new ATOM 867 N TYR A 60 6.048 -2.505 -9.338 1.00 0.00 N ATOM 868 CA TYR A 60 7.008 -3.100 -10.260 1.00 0.00 C ATOM 869 C TYR A 60 7.042 -2.326 -11.574 1.00 0.00 C ATOM 870 O TYR A 60 6.025 -2.190 -12.254 1.00 0.00 O ATOM 871 CB TYR A 60 6.665 -4.568 -10.525 1.00 0.00 C ATOM 872 CG TYR A 60 5.184 -4.840 -10.657 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.361 -4.870 -9.537 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.607 -5.068 -11.900 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.008 -5.121 -9.652 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.253 -5.318 -12.024 1.00 0.00 C ATOM 877 CZ TYR A 60 2.459 -5.344 -10.897 1.00 0.00 C ATOM 878 OH TYR A 60 1.111 -5.594 -11.017 1.00 0.00 O ATOM 0 H TYR A 60 5.215 -2.124 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 60 7.994 -3.050 -9.799 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.165 -4.888 -11.439 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.065 -5.176 -9.713 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.787 -4.694 -8.560 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.227 -5.050 -12.784 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.383 -5.143 -8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.820 -5.492 -12.998 1.00 0.00 H new ATOM 0 HH TYR A 60 0.886 -5.728 -11.961 1.00 0.00 H new ATOM 888 N GLN A 61 8.220 -1.816 -11.920 1.00 0.00 N ATOM 889 CA GLN A 61 8.391 -1.051 -13.147 1.00 0.00 C ATOM 890 C GLN A 61 8.846 -1.950 -14.292 1.00 0.00 C ATOM 891 O GLN A 61 9.713 -2.807 -14.116 1.00 0.00 O ATOM 892 CB GLN A 61 9.408 0.073 -12.935 1.00 0.00 C ATOM 893 CG GLN A 61 9.068 1.350 -13.684 1.00 0.00 C ATOM 894 CD GLN A 61 9.722 2.575 -13.075 1.00 0.00 C ATOM 895 OE1 GLN A 61 10.924 2.583 -12.807 1.00 0.00 O ATOM 896 NE2 GLN A 61 8.932 3.619 -12.853 1.00 0.00 N ATOM 0 H GLN A 61 9.070 -1.920 -11.366 1.00 0.00 H new ATOM 0 HA GLN A 61 7.426 -0.617 -13.410 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.476 0.294 -11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.391 -0.274 -13.252 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.384 1.253 -14.723 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.987 1.486 -13.691 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.941 3.569 -13.091 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.316 4.471 -12.445 1.00 0.00 H new ATOM 970 N LEU A 66 7.020 4.405 -16.018 1.00 0.00 N ATOM 971 CA LEU A 66 6.126 4.144 -14.894 1.00 0.00 C ATOM 972 C LEU A 66 5.973 2.645 -14.654 1.00 0.00 C ATOM 973 O LEU A 66 6.309 1.830 -15.514 1.00 0.00 O ATOM 974 CB LEU A 66 4.755 4.771 -15.154 1.00 0.00 C ATOM 975 CG LEU A 66 4.209 4.566 -16.572 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.993 3.651 -16.554 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.861 5.905 -17.210 1.00 0.00 C ATOM 0 HA LEU A 66 6.564 4.593 -14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.041 4.356 -14.442 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.818 5.841 -14.956 1.00 0.00 H new ATOM 0 HG LEU A 66 4.985 4.090 -17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.622 3.519 -17.570 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.273 2.682 -16.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.212 4.096 -15.937 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.475 5.739 -18.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.104 6.408 -16.609 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.755 6.526 -17.262 1.00 0.00 H new ATOM 989 N GLY A 67 5.461 2.288 -13.479 1.00 0.00 N ATOM 990 CA GLY A 67 5.271 0.889 -13.147 1.00 0.00 C ATOM 991 C GLY A 67 3.875 0.601 -12.626 1.00 0.00 C ATOM 992 O GLY A 67 3.095 1.523 -12.386 1.00 0.00 O ATOM 0 H GLY A 67 5.175 2.944 -12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.458 0.280 -14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.004 0.594 -12.396 1.00 0.00 H new ATOM 996 N PHE A 68 3.562 -0.678 -12.450 1.00 0.00 N ATOM 997 CA PHE A 68 2.251 -1.081 -11.952 1.00 0.00 C ATOM 998 C PHE A 68 2.301 -1.329 -10.448 1.00 0.00 C ATOM 999 O PHE A 68 3.282 -1.863 -9.932 1.00 0.00 O ATOM 1000 CB PHE A 68 1.771 -2.340 -12.676 1.00 0.00 C ATOM 1001 CG PHE A 68 0.314 -2.308 -13.035 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.115 -1.671 -14.190 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.629 -2.916 -12.220 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.456 -1.641 -14.523 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.971 -2.887 -12.549 1.00 0.00 C ATOM 1006 CZ PHE A 68 -2.385 -2.249 -13.702 1.00 0.00 C ATOM 0 H PHE A 68 4.197 -1.453 -12.644 1.00 0.00 H new ATOM 0 HA PHE A 68 1.547 -0.272 -12.148 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.358 -2.472 -13.585 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.962 -3.207 -12.044 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.607 -1.193 -14.836 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.311 -3.418 -11.318 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.777 -1.142 -15.425 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.696 -3.363 -11.905 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.433 -2.226 -13.961 1.00 0.00 H new ATOM 1016 N GLU A 69 1.243 -0.932 -9.747 1.00 0.00 N ATOM 1017 CA GLU A 69 1.181 -1.110 -8.302 1.00 0.00 C ATOM 1018 C GLU A 69 -0.094 -1.839 -7.888 1.00 0.00 C ATOM 1019 O GLU A 69 -1.205 -1.364 -8.134 1.00 0.00 O ATOM 1020 CB GLU A 69 1.260 0.246 -7.599 1.00 0.00 C ATOM 1021 CG GLU A 69 2.460 0.382 -6.674 1.00 0.00 C ATOM 1022 CD GLU A 69 2.082 0.288 -5.210 1.00 0.00 C ATOM 1023 OE1 GLU A 69 1.624 1.306 -4.648 1.00 0.00 O ATOM 1024 OE2 GLU A 69 2.243 -0.804 -4.624 1.00 0.00 O ATOM 0 H GLU A 69 0.421 -0.487 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 69 2.033 -1.720 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.300 1.034 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.348 0.401 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.185 -0.397 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.949 1.338 -6.858 1.00 0.00 H new ATOM 1031 N MET A 70 0.077 -2.989 -7.244 1.00 0.00 N ATOM 1032 CA MET A 70 -1.053 -3.782 -6.774 1.00 0.00 C ATOM 1033 C MET A 70 -1.177 -3.660 -5.261 1.00 0.00 C ATOM 1034 O MET A 70 -0.172 -3.658 -4.550 1.00 0.00 O ATOM 1035 CB MET A 70 -0.878 -5.250 -7.175 1.00 0.00 C ATOM 1036 CG MET A 70 -1.847 -5.703 -8.256 1.00 0.00 C ATOM 1037 SD MET A 70 -1.844 -7.492 -8.487 1.00 0.00 S ATOM 1038 CE MET A 70 -3.296 -7.703 -9.512 1.00 0.00 C ATOM 0 H MET A 70 0.990 -3.393 -7.035 1.00 0.00 H new ATOM 0 HA MET A 70 -1.965 -3.404 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.143 -5.403 -7.525 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.010 -5.877 -6.294 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.854 -5.376 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.587 -5.219 -9.197 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.429 -8.760 -9.741 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.173 -7.334 -8.981 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.171 -7.144 -10.439 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.405 -3.541 -4.769 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.608 -3.404 -3.338 1.00 0.00 C ATOM 1050 C GLY A 71 -3.690 -4.309 -2.789 1.00 0.00 C ATOM 1051 O GLY A 71 -4.477 -4.884 -3.540 1.00 0.00 O ATOM 0 H GLY A 71 -3.257 -3.537 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.671 -3.619 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.864 -2.369 -3.113 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.724 -4.424 -1.466 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.709 -5.254 -0.788 1.00 0.00 C ATOM 1057 C TYR A 72 -5.265 -4.528 0.432 1.00 0.00 C ATOM 1058 O TYR A 72 -4.532 -4.241 1.382 1.00 0.00 O ATOM 1059 CB TYR A 72 -4.086 -6.586 -0.365 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.526 -7.386 -1.520 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.354 -7.848 -2.535 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.170 -7.678 -1.595 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.847 -8.579 -3.592 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.655 -8.408 -2.649 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.497 -8.856 -3.645 1.00 0.00 C ATOM 1066 OH TYR A 72 -1.988 -9.583 -4.697 1.00 0.00 O ATOM 0 H TYR A 72 -3.075 -3.948 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.526 -5.454 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -3.289 -6.393 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.840 -7.183 0.148 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.412 -7.632 -2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.508 -7.329 -0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.504 -8.932 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.598 -8.627 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.020 -9.689 -4.584 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.558 -4.224 0.394 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.215 -3.523 1.491 1.00 0.00 C ATOM 1078 C ASP A 73 -7.589 -4.484 2.613 1.00 0.00 C ATOM 1079 O ASP A 73 -8.208 -5.524 2.375 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.463 -2.800 0.986 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.746 -1.525 1.758 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -7.781 -0.903 2.251 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.931 -1.148 1.868 1.00 0.00 O ATOM 0 H ASP A 73 -7.173 -4.453 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.513 -2.790 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.339 -2.562 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.322 -3.467 1.064 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.213 -4.128 3.838 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.507 -4.951 5.003 1.00 0.00 C ATOM 1090 C TRP A 74 -8.011 -4.091 6.159 1.00 0.00 C ATOM 1091 O TRP A 74 -7.457 -3.027 6.442 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.260 -5.725 5.435 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.063 -7.003 4.678 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -5.043 -7.297 3.820 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.908 -8.158 4.711 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -5.201 -8.567 3.317 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.339 -9.116 3.849 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -8.091 -8.477 5.385 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.914 -10.368 3.644 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -8.658 -9.720 5.181 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -8.070 -10.652 4.318 1.00 0.00 C ATOM 0 H TRP A 74 -6.702 -3.271 4.048 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.289 -5.660 4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.383 -5.092 5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.330 -5.949 6.499 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -4.231 -6.630 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -4.574 -9.026 2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.553 -7.765 6.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.464 -11.088 2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.571 -9.977 5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.539 -11.615 4.181 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.969 -8.676 2.038 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.668 -8.529 1.396 1.00 0.00 C ATOM 1363 C GLN A 92 -10.767 -7.595 0.196 1.00 0.00 C ATOM 1364 O GLN A 92 -11.582 -7.809 -0.702 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.135 -9.894 0.955 1.00 0.00 C ATOM 1366 CG GLN A 92 -11.114 -10.684 0.101 1.00 0.00 C ATOM 1367 CD GLN A 92 -10.435 -11.408 -1.045 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -9.552 -12.238 -0.834 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -10.846 -11.095 -2.268 1.00 0.00 N ATOM 0 HA GLN A 92 -9.976 -8.097 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.211 -9.750 0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.883 -10.479 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.634 -11.409 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.870 -10.008 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.582 -10.400 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.426 -11.549 -3.079 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.940 -6.555 0.188 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.966 -5.605 -0.906 1.00 0.00 C ATOM 1380 C GLY A 93 -8.787 -5.756 -1.847 1.00 0.00 C ATOM 1381 O GLY A 93 -7.659 -5.987 -1.411 1.00 0.00 O ATOM 0 H GLY A 93 -9.255 -6.354 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.891 -5.731 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.974 -4.593 -0.501 1.00 0.00 H new ATOM 1385 N VAL A 94 -9.049 -5.612 -3.142 1.00 0.00 N ATOM 1386 CA VAL A 94 -8.004 -5.715 -4.156 1.00 0.00 C ATOM 1387 C VAL A 94 -7.835 -4.378 -4.867 1.00 0.00 C ATOM 1388 O VAL A 94 -8.792 -3.834 -5.419 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.311 -6.818 -5.199 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.576 -8.103 -4.853 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.807 -7.074 -5.309 1.00 0.00 C ATOM 0 H VAL A 94 -9.979 -5.423 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.081 -5.986 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.958 -6.466 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.805 -8.865 -5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.502 -7.917 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.893 -8.450 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.989 -7.853 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.193 -7.395 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.311 -6.158 -5.615 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.621 -3.836 -4.831 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.346 -2.548 -5.456 1.00 0.00 C ATOM 1403 C GLN A 95 -5.498 -2.696 -6.714 1.00 0.00 C ATOM 1404 O GLN A 95 -4.605 -3.542 -6.784 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.645 -1.620 -4.462 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.145 -0.185 -4.511 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.180 0.793 -3.874 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -4.448 1.501 -4.565 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.170 0.835 -2.545 1.00 0.00 N ATOM 0 H GLN A 95 -5.816 -4.267 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.302 -2.115 -5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.784 -2.010 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.574 -1.630 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.313 0.101 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.107 -0.122 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.794 0.230 -2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.538 1.472 -2.060 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.787 -1.855 -7.701 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.062 -1.863 -8.967 1.00 0.00 C ATOM 1420 C LEU A 96 -4.773 -0.430 -9.408 1.00 0.00 C ATOM 1421 O LEU A 96 -5.696 0.332 -9.699 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.886 -2.597 -10.033 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.377 -2.465 -11.472 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.425 -3.810 -12.180 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.199 -1.435 -12.236 1.00 0.00 C ATOM 0 H LEU A 96 -6.525 -1.153 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.114 -2.385 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.920 -3.655 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.910 -2.226 -9.994 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.341 -2.127 -11.440 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.060 -3.697 -13.201 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.797 -4.524 -11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.452 -4.174 -12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.824 -1.354 -13.256 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.243 -1.746 -12.257 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.119 -0.467 -11.742 1.00 0.00 H new ATOM 1437 N THR A 97 -3.495 -0.053 -9.436 1.00 0.00 N ATOM 1438 CA THR A 97 -3.123 1.302 -9.823 1.00 0.00 C ATOM 1439 C THR A 97 -1.703 1.364 -10.369 1.00 0.00 C ATOM 1440 O THR A 97 -0.922 0.423 -10.217 1.00 0.00 O ATOM 1441 CB THR A 97 -3.253 2.240 -8.619 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.606 3.475 -8.872 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.665 1.667 -7.348 1.00 0.00 C ATOM 0 H THR A 97 -2.711 -0.660 -9.198 1.00 0.00 H new ATOM 0 HA THR A 97 -3.801 1.618 -10.616 1.00 0.00 H new ATOM 0 HB THR A 97 -4.325 2.378 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.702 4.060 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.790 2.382 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.177 0.738 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.604 1.468 -7.496 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.374 2.490 -10.994 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.044 2.698 -11.555 1.00 0.00 C ATOM 1453 C ALA A 98 0.757 3.654 -10.678 1.00 0.00 C ATOM 1454 O ALA A 98 0.220 4.640 -10.172 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.147 3.238 -12.975 1.00 0.00 C ATOM 0 H ALA A 98 -2.013 3.275 -11.125 1.00 0.00 H new ATOM 0 HA ALA A 98 0.475 1.740 -11.586 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.854 3.388 -13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.687 2.525 -13.597 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.681 4.188 -12.965 1.00 0.00 H new ATOM 1461 N LYS A 99 2.038 3.355 -10.490 1.00 0.00 N ATOM 1462 CA LYS A 99 2.899 4.188 -9.657 1.00 0.00 C ATOM 1463 C LYS A 99 4.063 4.768 -10.456 1.00 0.00 C ATOM 1464 O LYS A 99 4.748 4.051 -11.187 1.00 0.00 O ATOM 1465 CB LYS A 99 3.436 3.380 -8.474 1.00 0.00 C ATOM 1466 CG LYS A 99 4.292 4.197 -7.521 1.00 0.00 C ATOM 1467 CD LYS A 99 5.063 3.307 -6.561 1.00 0.00 C ATOM 1468 CE LYS A 99 6.296 2.712 -7.221 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.519 3.514 -6.937 1.00 0.00 N ATOM 0 H LYS A 99 2.502 2.545 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 99 2.296 5.017 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.597 2.956 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.024 2.544 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.990 4.809 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.658 4.880 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.361 3.885 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.415 2.505 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.441 1.691 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.140 2.656 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.338 3.076 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.391 4.481 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.683 3.546 -5.910 1.00 0.00 H new ATOM 1483 N LEU A 100 4.283 6.071 -10.301 1.00 0.00 N ATOM 1484 CA LEU A 100 5.369 6.753 -10.996 1.00 0.00 C ATOM 1485 C LEU A 100 6.136 7.661 -10.040 1.00 0.00 C ATOM 1486 O LEU A 100 5.547 8.501 -9.359 1.00 0.00 O ATOM 1487 CB LEU A 100 4.826 7.567 -12.176 1.00 0.00 C ATOM 1488 CG LEU A 100 4.066 8.843 -11.798 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.001 10.042 -11.802 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.903 9.071 -12.752 1.00 0.00 C ATOM 0 H LEU A 100 3.723 6.675 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 100 6.054 5.996 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.660 7.839 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.164 6.929 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 100 3.668 8.721 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.444 10.939 -11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.802 9.881 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.428 10.167 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.374 9.981 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.281 9.172 -13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.220 8.223 -12.702 1.00 0.00 H new ATOM 1502 N GLY A 101 7.454 7.483 -9.989 1.00 0.00 N ATOM 1503 CA GLY A 101 8.279 8.292 -9.110 1.00 0.00 C ATOM 1504 C GLY A 101 9.759 8.144 -9.404 1.00 0.00 C ATOM 1505 O GLY A 101 10.147 7.432 -10.329 1.00 0.00 O ATOM 0 H GLY A 101 7.964 6.793 -10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.995 9.339 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.087 8.009 -8.075 1.00 0.00 H new ATOM 1509 N TYR A 102 10.588 8.819 -8.612 1.00 0.00 N ATOM 1510 CA TYR A 102 12.036 8.760 -8.794 1.00 0.00 C ATOM 1511 C TYR A 102 12.764 9.328 -7.577 1.00 0.00 C ATOM 1512 O TYR A 102 12.192 10.096 -6.802 1.00 0.00 O ATOM 1513 CB TYR A 102 12.445 9.529 -10.051 1.00 0.00 C ATOM 1514 CG TYR A 102 12.358 8.712 -11.320 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.906 7.437 -11.389 1.00 0.00 C ATOM 1516 CD2 TYR A 102 11.728 9.216 -12.452 1.00 0.00 C ATOM 1517 CE1 TYR A 102 12.830 6.687 -12.547 1.00 0.00 C ATOM 1518 CE2 TYR A 102 11.648 8.472 -13.615 1.00 0.00 C ATOM 1519 CZ TYR A 102 12.200 7.210 -13.657 1.00 0.00 C ATOM 1520 OH TYR A 102 12.122 6.467 -14.812 1.00 0.00 O ATOM 0 H TYR A 102 10.283 9.412 -7.840 1.00 0.00 H new ATOM 0 HA TYR A 102 12.319 7.714 -8.908 1.00 0.00 H new ATOM 0 HB2 TYR A 102 11.808 10.408 -10.151 1.00 0.00 H new ATOM 0 HB3 TYR A 102 13.467 9.888 -9.930 1.00 0.00 H new ATOM 0 HD1 TYR A 102 13.400 7.025 -10.522 1.00 0.00 H new ATOM 0 HD2 TYR A 102 11.294 10.205 -12.423 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.261 5.697 -12.583 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.155 8.878 -14.486 1.00 0.00 H new ATOM 0 HH TYR A 102 11.646 6.979 -15.499 1.00 0.00 H new ATOM 1530 N PRO A 103 14.046 8.959 -7.395 1.00 0.00 N ATOM 1531 CA PRO A 103 14.858 9.437 -6.268 1.00 0.00 C ATOM 1532 C PRO A 103 15.017 10.953 -6.283 1.00 0.00 C ATOM 1533 O PRO A 103 14.621 11.617 -7.241 1.00 0.00 O ATOM 1534 CB PRO A 103 16.216 8.757 -6.480 1.00 0.00 C ATOM 1535 CG PRO A 103 15.942 7.613 -7.395 1.00 0.00 C ATOM 1536 CD PRO A 103 14.803 8.050 -8.271 1.00 0.00 C ATOM 0 HA PRO A 103 14.399 9.200 -5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.938 9.447 -6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.636 8.413 -5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.822 7.370 -7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.680 6.717 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.155 8.555 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.197 7.205 -8.597 1.00 0.00 H new ATOM 1601 N LEU A 108 16.261 8.883 -0.958 1.00 0.00 N ATOM 1602 CA LEU A 108 14.980 9.568 -0.818 1.00 0.00 C ATOM 1603 C LEU A 108 14.324 9.727 -2.185 1.00 0.00 C ATOM 1604 O LEU A 108 14.917 10.296 -3.099 1.00 0.00 O ATOM 1605 CB LEU A 108 15.164 10.939 -0.150 1.00 0.00 C ATOM 1606 CG LEU A 108 16.613 11.344 0.144 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.695 12.819 0.506 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.196 10.490 1.262 1.00 0.00 C ATOM 0 HA LEU A 108 14.332 8.966 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.716 11.698 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.607 10.944 0.787 1.00 0.00 H new ATOM 0 HG LEU A 108 17.201 11.177 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.732 13.086 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.323 13.419 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.089 13.011 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.225 10.795 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.604 10.622 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.177 9.441 0.966 1.00 0.00 H new ATOM 1620 N ASP A 109 13.110 9.206 -2.330 1.00 0.00 N ATOM 1621 CA ASP A 109 12.403 9.287 -3.604 1.00 0.00 C ATOM 1622 C ASP A 109 10.945 9.693 -3.423 1.00 0.00 C ATOM 1623 O ASP A 109 10.355 9.488 -2.361 1.00 0.00 O ATOM 1624 CB ASP A 109 12.479 7.942 -4.332 1.00 0.00 C ATOM 1625 CG ASP A 109 11.742 6.841 -3.593 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.508 6.954 -3.435 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.400 5.866 -3.172 1.00 0.00 O ATOM 0 H ASP A 109 12.599 8.727 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 109 12.891 10.058 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.058 8.049 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.524 7.657 -4.455 1.00 0.00 H new ATOM 1632 N ILE A 110 10.368 10.260 -4.478 1.00 0.00 N ATOM 1633 CA ILE A 110 8.974 10.689 -4.464 1.00 0.00 C ATOM 1634 C ILE A 110 8.189 9.982 -5.565 1.00 0.00 C ATOM 1635 O ILE A 110 8.690 9.814 -6.678 1.00 0.00 O ATOM 1636 CB ILE A 110 8.854 12.219 -4.647 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.222 12.624 -6.078 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.742 12.944 -3.644 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.022 12.952 -6.940 1.00 0.00 C ATOM 0 H ILE A 110 10.849 10.434 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 110 8.558 10.423 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 110 7.818 12.506 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.882 13.491 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.783 11.814 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.647 14.021 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.436 12.682 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.780 12.648 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.357 13.230 -7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.371 12.080 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.472 13.783 -6.497 1.00 0.00 H new ATOM 1651 N TYR A 111 6.967 9.558 -5.260 1.00 0.00 N ATOM 1652 CA TYR A 111 6.146 8.863 -6.245 1.00 0.00 C ATOM 1653 C TYR A 111 4.660 9.085 -5.992 1.00 0.00 C ATOM 1654 O TYR A 111 4.256 9.506 -4.908 1.00 0.00 O ATOM 1655 CB TYR A 111 6.459 7.367 -6.230 1.00 0.00 C ATOM 1656 CG TYR A 111 6.046 6.671 -4.953 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.762 6.163 -4.801 1.00 0.00 C ATOM 1658 CD2 TYR A 111 6.939 6.524 -3.899 1.00 0.00 C ATOM 1659 CE1 TYR A 111 4.381 5.527 -3.635 1.00 0.00 C ATOM 1660 CE2 TYR A 111 6.565 5.890 -2.731 1.00 0.00 C ATOM 1661 CZ TYR A 111 5.285 5.394 -2.603 1.00 0.00 C ATOM 1662 OH TYR A 111 4.909 4.761 -1.441 1.00 0.00 O ATOM 0 H TYR A 111 6.527 9.682 -4.348 1.00 0.00 H new ATOM 0 HA TYR A 111 6.385 9.274 -7.226 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.955 6.891 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.530 7.228 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.050 6.267 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.942 6.912 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.380 5.136 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.272 5.783 -1.921 1.00 0.00 H new ATOM 0 HH TYR A 111 4.021 5.074 -1.170 1.00 0.00 H new ATOM 1672 N THR A 112 3.851 8.790 -7.004 1.00 0.00 N ATOM 1673 CA THR A 112 2.405 8.944 -6.905 1.00 0.00 C ATOM 1674 C THR A 112 1.696 7.752 -7.537 1.00 0.00 C ATOM 1675 O THR A 112 2.175 7.184 -8.520 1.00 0.00 O ATOM 1676 CB THR A 112 1.960 10.239 -7.586 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.552 10.362 -8.867 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.312 11.483 -6.796 1.00 0.00 C ATOM 0 H THR A 112 4.175 8.441 -7.906 1.00 0.00 H new ATOM 0 HA THR A 112 2.137 8.991 -5.850 1.00 0.00 H new ATOM 0 HB THR A 112 0.875 10.169 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.253 11.196 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.968 12.366 -7.335 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.829 11.443 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.393 11.536 -6.664 1.00 0.00 H new ATOM 1686 N ARG A 113 0.557 7.371 -6.967 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.210 6.241 -7.477 1.00 0.00 C ATOM 1688 C ARG A 113 -1.610 6.670 -7.908 1.00 0.00 C ATOM 1689 O ARG A 113 -2.344 7.296 -7.141 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.304 5.142 -6.417 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.854 5.624 -5.085 1.00 0.00 C ATOM 1692 CD ARG A 113 -1.236 4.460 -4.183 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.580 4.615 -3.633 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.094 3.819 -2.698 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -2.380 2.814 -2.205 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -4.326 4.028 -2.253 1.00 0.00 N ATOM 0 H ARG A 113 0.146 7.828 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 113 0.311 5.852 -8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.939 4.340 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.687 4.717 -6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.109 6.243 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.727 6.253 -5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.180 3.530 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.517 4.382 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.158 5.377 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.432 2.648 -2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.780 2.208 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.880 4.799 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.720 3.418 -1.537 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.972 6.317 -9.140 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.284 6.651 -9.686 1.00 0.00 C ATOM 1712 C LEU A 114 -3.972 5.397 -10.217 1.00 0.00 C ATOM 1713 O LEU A 114 -3.424 4.690 -11.066 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.150 7.694 -10.803 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.447 8.026 -11.550 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.467 9.490 -11.973 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.609 7.120 -12.762 1.00 0.00 C ATOM 0 H LEU A 114 -1.372 5.798 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.893 7.073 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.753 8.613 -10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.416 7.336 -11.525 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.284 7.855 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.396 9.703 -12.501 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.398 10.125 -11.090 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.621 9.690 -12.631 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.535 7.369 -13.281 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.765 7.261 -13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.644 6.080 -12.437 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.170 5.120 -9.711 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.906 3.945 -10.146 1.00 0.00 C ATOM 1731 C GLY A 115 -7.229 3.790 -9.421 1.00 0.00 C ATOM 1732 O GLY A 115 -7.991 4.748 -9.301 1.00 0.00 O ATOM 0 H GLY A 115 -5.644 5.687 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.088 4.010 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.297 3.056 -9.980 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.505 2.582 -8.934 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.750 2.345 -8.226 1.00 0.00 C ATOM 1738 C GLY A 116 -8.678 1.157 -7.288 1.00 0.00 C ATOM 1739 O GLY A 116 -7.728 0.375 -7.331 1.00 0.00 O ATOM 0 H GLY A 116 -6.894 1.770 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.013 3.236 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.548 2.182 -8.950 1.00 0.00 H new ATOM 1743 N MET A 117 -9.693 1.024 -6.440 1.00 0.00 N ATOM 1744 CA MET A 117 -9.753 -0.072 -5.482 1.00 0.00 C ATOM 1745 C MET A 117 -11.058 -0.848 -5.631 1.00 0.00 C ATOM 1746 O MET A 117 -12.119 -0.263 -5.857 1.00 0.00 O ATOM 1747 CB MET A 117 -9.623 0.460 -4.054 1.00 0.00 C ATOM 1748 CG MET A 117 -10.784 1.344 -3.624 1.00 0.00 C ATOM 1749 SD MET A 117 -10.248 2.948 -2.997 1.00 0.00 S ATOM 1750 CE MET A 117 -10.140 2.609 -1.242 1.00 0.00 C ATOM 0 H MET A 117 -10.486 1.664 -6.398 1.00 0.00 H new ATOM 0 HA MET A 117 -8.921 -0.747 -5.686 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.546 -0.383 -3.367 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.696 1.026 -3.969 1.00 0.00 H new ATOM 0 HG2 MET A 117 -11.452 1.495 -4.472 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.359 0.831 -2.853 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.819 3.509 -0.717 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.117 2.301 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.418 1.811 -1.069 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.970 -2.168 -5.502 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.141 -3.030 -5.622 1.00 0.00 C ATOM 1762 C VAL A 118 -12.173 -4.054 -4.493 1.00 0.00 C ATOM 1763 O VAL A 118 -11.270 -4.880 -4.367 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.172 -3.771 -6.976 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.604 -4.095 -7.373 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.483 -2.957 -8.065 1.00 0.00 C ATOM 0 H VAL A 118 -10.099 -2.665 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.017 -2.385 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.624 -4.706 -6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.607 -4.617 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -14.058 -4.730 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.175 -3.171 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.521 -3.504 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.992 -2.000 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.443 -2.784 -7.787 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.215 -3.996 -3.670 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.354 -4.920 -2.550 1.00 0.00 C ATOM 1778 C TRP A 119 -14.788 -5.426 -2.432 1.00 0.00 C ATOM 1779 O TRP A 119 -15.671 -4.999 -3.176 1.00 0.00 O ATOM 1780 CB TRP A 119 -12.932 -4.241 -1.248 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.667 -2.963 -0.980 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.245 -1.698 -1.275 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.952 -2.825 -0.363 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -14.189 -0.782 -0.879 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -15.247 -1.449 -0.318 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -15.884 -3.731 0.152 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -16.432 -0.958 0.225 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -17.060 -3.243 0.690 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -17.326 -1.868 0.722 1.00 0.00 C ATOM 0 H TRP A 119 -13.974 -3.320 -3.757 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.703 -5.774 -2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.097 -4.928 -0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.862 -4.036 -1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.306 -1.454 -1.750 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.115 0.230 -0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.689 -4.793 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.638 0.102 0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -17.786 -3.934 1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.255 -1.519 1.147 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.548 -0.654 -5.115 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.494 -0.298 -6.059 1.00 0.00 C ATOM 2093 C VAL A 141 -15.455 1.208 -6.300 1.00 0.00 C ATOM 2094 O VAL A 141 -16.483 1.829 -6.568 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.682 -1.021 -7.409 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.003 -0.623 -8.050 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.517 -0.727 -8.343 1.00 0.00 C ATOM 0 HA VAL A 141 -14.551 -0.614 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.704 -2.095 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.117 -1.143 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.825 -0.894 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.014 0.453 -8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.669 -1.246 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.457 0.346 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.589 -1.070 -7.886 1.00 0.00 H new ATOM 2107 N SER A 142 -14.264 1.792 -6.203 1.00 0.00 N ATOM 2108 CA SER A 142 -14.105 3.228 -6.413 1.00 0.00 C ATOM 2109 C SER A 142 -12.669 3.579 -6.804 1.00 0.00 C ATOM 2110 O SER A 142 -11.716 3.007 -6.274 1.00 0.00 O ATOM 2111 CB SER A 142 -14.502 3.993 -5.148 1.00 0.00 C ATOM 2112 OG SER A 142 -15.193 5.188 -5.470 1.00 0.00 O ATOM 0 H SER A 142 -13.400 1.297 -5.982 1.00 0.00 H new ATOM 0 HA SER A 142 -14.760 3.520 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.132 3.363 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.610 4.230 -4.568 1.00 0.00 H new ATOM 0 HG SER A 142 -15.437 5.657 -4.645 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.496 4.536 -7.734 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.171 4.967 -8.186 1.00 0.00 C ATOM 2120 C PRO A 143 -10.509 5.917 -7.193 1.00 0.00 C ATOM 2121 O PRO A 143 -11.191 6.659 -6.486 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.476 5.693 -9.496 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.843 6.253 -9.300 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.577 5.278 -8.415 1.00 0.00 C ATOM 0 HA PRO A 143 -10.476 4.134 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.748 6.480 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.444 5.010 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.797 7.239 -8.838 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.355 6.373 -10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.220 5.792 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.214 4.612 -8.996 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.180 5.893 -7.137 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.445 6.758 -6.220 1.00 0.00 C ATOM 2134 C VAL A 144 -7.018 7.002 -6.697 1.00 0.00 C ATOM 2135 O VAL A 144 -6.464 6.219 -7.470 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.400 6.162 -4.799 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.803 6.019 -4.232 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.678 4.822 -4.803 1.00 0.00 C ATOM 0 H VAL A 144 -8.594 5.288 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.980 7.707 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.844 6.846 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.749 5.597 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.279 6.998 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.389 5.359 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.657 4.417 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.202 4.128 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.658 4.960 -5.160 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.426 8.092 -6.220 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.061 8.450 -6.580 1.00 0.00 C ATOM 2150 C PHE A 145 -4.387 9.192 -5.429 1.00 0.00 C ATOM 2151 O PHE A 145 -4.846 10.258 -5.017 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.050 9.317 -7.840 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.892 10.555 -7.723 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.256 10.505 -7.962 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -5.319 11.768 -7.377 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -8.033 11.643 -7.855 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -6.091 12.909 -7.269 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.451 12.846 -7.509 1.00 0.00 C ATOM 0 H PHE A 145 -6.875 8.746 -5.579 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.506 7.534 -6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -4.023 9.606 -8.064 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.405 8.724 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.717 9.567 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.257 11.822 -7.190 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -9.095 11.591 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.633 13.848 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 145 -8.057 13.736 -7.426 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.306 8.623 -4.908 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.587 9.238 -3.798 1.00 0.00 C ATOM 2170 C ALA A 146 -1.100 9.375 -4.102 1.00 0.00 C ATOM 2171 O ALA A 146 -0.562 8.677 -4.961 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.793 8.430 -2.526 1.00 0.00 C ATOM 0 H ALA A 146 -2.910 7.742 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.990 10.240 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.251 8.900 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.856 8.394 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.420 7.417 -2.674 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.440 10.278 -3.383 1.00 0.00 N ATOM 2179 CA GLY A 147 0.980 10.493 -3.580 1.00 0.00 C ATOM 2180 C GLY A 147 1.743 10.486 -2.271 1.00 0.00 C ATOM 2181 O GLY A 147 1.191 10.822 -1.224 1.00 0.00 O ATOM 0 H GLY A 147 -0.866 10.865 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.377 9.717 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 147 1.136 11.446 -4.085 1.00 0.00 H new ATOM 2185 N GLY A 148 3.014 10.099 -2.324 1.00 0.00 N ATOM 2186 CA GLY A 148 3.818 10.059 -1.119 1.00 0.00 C ATOM 2187 C GLY A 148 5.306 10.007 -1.402 1.00 0.00 C ATOM 2188 O GLY A 148 5.731 10.043 -2.559 1.00 0.00 O ATOM 0 H GLY A 148 3.498 9.814 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.599 10.939 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.535 9.187 -0.529 1.00 0.00 H new ATOM 2192 N VAL A 149 6.097 9.921 -0.338 1.00 0.00 N ATOM 2193 CA VAL A 149 7.549 9.864 -0.464 1.00 0.00 C ATOM 2194 C VAL A 149 8.118 8.675 0.303 1.00 0.00 C ATOM 2195 O VAL A 149 7.515 8.201 1.266 1.00 0.00 O ATOM 2196 CB VAL A 149 8.208 11.158 0.047 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.038 12.282 -0.966 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.631 11.557 1.397 1.00 0.00 C ATOM 0 H VAL A 149 5.756 9.889 0.623 1.00 0.00 H new ATOM 0 HA VAL A 149 7.773 9.749 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 149 9.274 10.972 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.510 13.188 -0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.505 11.996 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.976 12.467 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.110 12.474 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.558 11.723 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.811 10.761 2.119 1.00 0.00 H new ATOM 2208 N GLU A 150 9.281 8.196 -0.129 1.00 0.00 N ATOM 2209 CA GLU A 150 9.925 7.059 0.519 1.00 0.00 C ATOM 2210 C GLU A 150 11.347 7.405 0.950 1.00 0.00 C ATOM 2211 O GLU A 150 12.076 8.092 0.234 1.00 0.00 O ATOM 2212 CB GLU A 150 9.946 5.853 -0.423 1.00 0.00 C ATOM 2213 CG GLU A 150 10.544 4.602 0.201 1.00 0.00 C ATOM 2214 CD GLU A 150 11.871 4.216 -0.421 1.00 0.00 C ATOM 2215 OE1 GLU A 150 12.663 5.127 -0.744 1.00 0.00 O ATOM 2216 OE2 GLU A 150 12.121 3.003 -0.584 1.00 0.00 O ATOM 0 H GLU A 150 9.795 8.577 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 150 9.348 6.809 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.927 5.637 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.515 6.111 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.682 4.764 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.842 3.775 0.092 1.00 0.00 H new ATOM 2223 N TRP A 151 11.732 6.921 2.129 1.00 0.00 N ATOM 2224 CA TRP A 151 13.066 7.173 2.663 1.00 0.00 C ATOM 2225 C TRP A 151 13.706 5.878 3.154 1.00 0.00 C ATOM 2226 O TRP A 151 13.114 5.138 3.938 1.00 0.00 O ATOM 2227 CB TRP A 151 12.995 8.188 3.807 1.00 0.00 C ATOM 2228 CG TRP A 151 14.250 8.991 3.966 1.00 0.00 C ATOM 2229 CD1 TRP A 151 15.534 8.529 3.905 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.341 10.398 4.216 1.00 0.00 C ATOM 2231 NE1 TRP A 151 16.417 9.563 4.100 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.711 10.720 4.293 1.00 0.00 C ATOM 2233 CE3 TRP A 151 13.400 11.419 4.380 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 16.158 12.018 4.528 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 13.846 12.707 4.613 1.00 0.00 C ATOM 2236 CH2 TRP A 151 15.214 12.996 4.684 1.00 0.00 C ATOM 0 H TRP A 151 11.138 6.352 2.732 1.00 0.00 H new ATOM 0 HA TRP A 151 13.683 7.581 1.862 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.159 8.865 3.632 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.789 7.661 4.739 1.00 0.00 H new ATOM 0 HD1 TRP A 151 15.814 7.501 3.729 1.00 0.00 H new ATOM 0 HE1 TRP A 151 17.434 9.482 4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 151 12.343 11.205 4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.212 12.244 4.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 13.127 13.503 4.742 1.00 0.00 H new ATOM 0 HH2 TRP A 151 15.531 14.012 4.866 1.00 0.00 H new ATOM 2247 N ALA A 152 14.921 5.610 2.682 1.00 0.00 N ATOM 2248 CA ALA A 152 15.642 4.403 3.068 1.00 0.00 C ATOM 2249 C ALA A 152 16.350 4.584 4.406 1.00 0.00 C ATOM 2250 O ALA A 152 16.962 5.623 4.662 1.00 0.00 O ATOM 2251 CB ALA A 152 16.642 4.020 1.988 1.00 0.00 C ATOM 0 H ALA A 152 15.426 6.213 2.032 1.00 0.00 H new ATOM 0 HA ALA A 152 14.915 3.598 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.174 3.117 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 152 16.114 3.836 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.356 4.832 1.848 1.00 0.00 H new ATOM 2257 N VAL A 153 16.269 3.564 5.256 1.00 0.00 N ATOM 2258 CA VAL A 153 16.906 3.609 6.568 1.00 0.00 C ATOM 2259 C VAL A 153 18.169 2.749 6.584 1.00 0.00 C ATOM 2260 O VAL A 153 19.280 3.264 6.703 1.00 0.00 O ATOM 2261 CB VAL A 153 15.944 3.132 7.678 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.669 3.015 9.014 1.00 0.00 C ATOM 2263 CG2 VAL A 153 14.756 4.074 7.795 1.00 0.00 C ATOM 0 H VAL A 153 15.769 2.697 5.060 1.00 0.00 H new ATOM 0 HA VAL A 153 17.174 4.647 6.764 1.00 0.00 H new ATOM 0 HB VAL A 153 15.576 2.143 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 153 15.970 2.677 9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.483 2.296 8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.073 3.988 9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.089 3.722 8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.109 5.076 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.218 4.100 6.848 1.00 0.00 H new ATOM 2323 N ILE A 157 15.413 -2.034 3.296 1.00 0.00 N ATOM 2324 CA ILE A 157 14.086 -1.663 3.774 1.00 0.00 C ATOM 2325 C ILE A 157 13.966 -0.154 3.959 1.00 0.00 C ATOM 2326 O ILE A 157 14.863 0.490 4.503 1.00 0.00 O ATOM 2327 CB ILE A 157 13.755 -2.360 5.109 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.054 -3.857 5.014 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.299 -2.126 5.478 1.00 0.00 C ATOM 2330 CD1 ILE A 157 13.933 -4.581 6.337 1.00 0.00 C ATOM 0 HA ILE A 157 13.376 -1.989 3.014 1.00 0.00 H new ATOM 0 HB ILE A 157 14.381 -1.934 5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.371 -4.311 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.063 -3.994 4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.079 -2.623 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.117 -1.056 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.656 -2.530 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.159 -5.638 6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 157 14.636 -4.153 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 157 12.917 -4.475 6.718 1.00 0.00 H new ATOM 2342 N ALA A 158 12.849 0.402 3.501 1.00 0.00 N ATOM 2343 CA ALA A 158 12.606 1.835 3.612 1.00 0.00 C ATOM 2344 C ALA A 158 11.175 2.120 4.062 1.00 0.00 C ATOM 2345 O ALA A 158 10.307 1.249 4.003 1.00 0.00 O ATOM 2346 CB ALA A 158 12.886 2.519 2.282 1.00 0.00 C ATOM 0 H ALA A 158 12.097 -0.119 3.049 1.00 0.00 H new ATOM 0 HA ALA A 158 13.282 2.235 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.701 3.589 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.926 2.354 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.232 2.105 1.515 1.00 0.00 H new ATOM 2352 N THR A 159 10.940 3.351 4.503 1.00 0.00 N ATOM 2353 CA THR A 159 9.619 3.769 4.958 1.00 0.00 C ATOM 2354 C THR A 159 9.100 4.907 4.088 1.00 0.00 C ATOM 2355 O THR A 159 9.874 5.746 3.627 1.00 0.00 O ATOM 2356 CB THR A 159 9.672 4.208 6.422 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.382 4.559 6.888 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.583 5.394 6.660 1.00 0.00 C ATOM 0 H THR A 159 11.651 4.080 4.555 1.00 0.00 H new ATOM 0 HA THR A 159 8.939 2.921 4.874 1.00 0.00 H new ATOM 0 HB THR A 159 10.069 3.350 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 159 7.705 4.074 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.574 5.653 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.599 5.139 6.357 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.233 6.245 6.075 1.00 0.00 H new ATOM 2366 N ARG A 160 7.794 4.930 3.850 1.00 0.00 N ATOM 2367 CA ARG A 160 7.201 5.967 3.016 1.00 0.00 C ATOM 2368 C ARG A 160 5.899 6.502 3.606 1.00 0.00 C ATOM 2369 O ARG A 160 5.175 5.792 4.310 1.00 0.00 O ATOM 2370 CB ARG A 160 6.945 5.426 1.610 1.00 0.00 C ATOM 2371 CG ARG A 160 5.994 4.240 1.579 1.00 0.00 C ATOM 2372 CD ARG A 160 6.734 2.927 1.768 1.00 0.00 C ATOM 2373 NE ARG A 160 5.826 1.783 1.779 1.00 0.00 N ATOM 2374 CZ ARG A 160 5.340 1.210 0.682 1.00 0.00 C ATOM 2375 NH1 ARG A 160 5.656 1.682 -0.519 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.533 0.162 0.784 1.00 0.00 N ATOM 0 H ARG A 160 7.131 4.249 4.219 1.00 0.00 H new ATOM 0 HA ARG A 160 7.910 6.794 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.537 6.225 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.895 5.131 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.245 4.353 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.461 4.225 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.463 2.803 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.291 2.957 2.704 1.00 0.00 H new ATOM 0 HE ARG A 160 5.548 1.401 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.275 2.488 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.280 1.238 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.286 -0.204 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.160 -0.278 -0.057 1.00 0.00 H new ATOM 2390 N LEU A 161 5.605 7.758 3.285 1.00 0.00 N ATOM 2391 CA LEU A 161 4.389 8.417 3.745 1.00 0.00 C ATOM 2392 C LEU A 161 3.531 8.801 2.544 1.00 0.00 C ATOM 2393 O LEU A 161 4.006 9.473 1.625 1.00 0.00 O ATOM 2394 CB LEU A 161 4.734 9.662 4.567 1.00 0.00 C ATOM 2395 CG LEU A 161 3.797 9.948 5.743 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.345 11.084 6.596 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.398 10.279 5.243 1.00 0.00 C ATOM 0 H LEU A 161 6.201 8.345 2.701 1.00 0.00 H new ATOM 0 HA LEU A 161 3.831 7.729 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.749 9.555 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.733 10.527 3.904 1.00 0.00 H new ATOM 0 HG LEU A 161 3.736 9.053 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.667 11.274 7.428 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.326 10.808 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.436 11.984 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.746 10.479 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.440 11.160 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.005 9.435 4.675 1.00 0.00 H new ATOM 2409 N GLU A 162 2.276 8.361 2.543 1.00 0.00 N ATOM 2410 CA GLU A 162 1.371 8.654 1.436 1.00 0.00 C ATOM 2411 C GLU A 162 0.175 9.481 1.893 1.00 0.00 C ATOM 2412 O GLU A 162 -0.414 9.220 2.943 1.00 0.00 O ATOM 2413 CB GLU A 162 0.891 7.353 0.788 1.00 0.00 C ATOM 2414 CG GLU A 162 1.543 7.068 -0.555 1.00 0.00 C ATOM 2415 CD GLU A 162 1.444 5.607 -0.952 1.00 0.00 C ATOM 2416 OE1 GLU A 162 0.367 5.007 -0.744 1.00 0.00 O ATOM 2417 OE2 GLU A 162 2.440 5.065 -1.473 1.00 0.00 O ATOM 0 H GLU A 162 1.864 7.804 3.291 1.00 0.00 H new ATOM 0 HA GLU A 162 1.924 9.241 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.094 6.523 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.190 7.400 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 162 1.071 7.682 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.592 7.360 -0.515 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.185 10.475 1.087 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.317 11.342 1.392 1.00 0.00 C ATOM 2426 C TYR A 163 -2.192 11.532 0.157 1.00 0.00 C ATOM 2427 O TYR A 163 -1.712 11.453 -0.975 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.828 12.698 1.900 1.00 0.00 C ATOM 2429 CG TYR A 163 0.285 13.296 1.069 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.063 13.685 -0.246 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.559 13.469 1.599 1.00 0.00 C ATOM 2432 CE1 TYR A 163 1.077 14.231 -1.009 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.577 14.014 0.841 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.332 14.393 -0.461 1.00 0.00 C ATOM 2435 OH TYR A 163 3.344 14.937 -1.219 1.00 0.00 O ATOM 0 H TYR A 163 0.293 10.700 0.215 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.912 10.868 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.668 13.393 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.482 12.587 2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -0.918 13.559 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 163 1.755 13.173 2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.888 14.529 -2.030 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.561 14.143 1.267 1.00 0.00 H new ATOM 0 HH TYR A 163 4.164 14.983 -0.685 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.478 11.783 0.381 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.418 11.983 -0.716 1.00 0.00 C ATOM 2447 C GLN A 164 -4.579 13.467 -1.029 1.00 0.00 C ATOM 2448 O GLN A 164 -5.080 14.235 -0.209 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.777 11.370 -0.372 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.852 9.875 -0.630 1.00 0.00 C ATOM 2451 CD GLN A 164 -6.595 9.542 -1.910 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -6.052 8.897 -2.807 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.844 9.983 -2.003 1.00 0.00 N ATOM 0 H GLN A 164 -3.892 11.853 1.310 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.018 11.485 -1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.997 11.561 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.550 11.870 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -4.842 9.468 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.347 9.389 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -8.256 10.514 -1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -8.392 9.791 -2.842 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.209 10.498 5.017 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.776 10.274 5.169 1.00 0.00 C ATOM 2726 C LEU A 184 -2.509 8.931 5.841 1.00 0.00 C ATOM 2727 O LEU A 184 -3.242 8.520 6.741 1.00 0.00 O ATOM 2728 CB LEU A 184 -2.147 11.402 5.987 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.410 12.811 5.454 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.701 13.370 6.032 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.239 13.728 5.773 1.00 0.00 C ATOM 0 HA LEU A 184 -2.325 10.262 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.520 11.341 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -1.070 11.242 6.031 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.517 12.754 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.870 14.373 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.534 12.726 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.625 13.412 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.443 14.727 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.100 13.778 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.334 13.337 5.308 1.00 0.00 H new ATOM 2743 N SER A 185 -1.457 8.249 5.398 1.00 0.00 N ATOM 2744 CA SER A 185 -1.103 6.951 5.961 1.00 0.00 C ATOM 2745 C SER A 185 0.405 6.722 5.916 1.00 0.00 C ATOM 2746 O SER A 185 1.105 7.269 5.060 1.00 0.00 O ATOM 2747 CB SER A 185 -1.820 5.834 5.201 1.00 0.00 C ATOM 2748 OG SER A 185 -3.225 5.926 5.362 1.00 0.00 O ATOM 0 H SER A 185 -0.838 8.572 4.655 1.00 0.00 H new ATOM 0 HA SER A 185 -1.419 6.940 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.568 5.891 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.473 4.865 5.560 1.00 0.00 H new ATOM 0 HG SER A 185 -3.659 5.201 4.865 1.00 0.00 H new ATOM 2754 N LEU A 186 0.897 5.901 6.841 1.00 0.00 N ATOM 2755 CA LEU A 186 2.321 5.588 6.910 1.00 0.00 C ATOM 2756 C LEU A 186 2.547 4.101 6.657 1.00 0.00 C ATOM 2757 O LEU A 186 1.821 3.259 7.184 1.00 0.00 O ATOM 2758 CB LEU A 186 2.900 5.974 8.277 1.00 0.00 C ATOM 2759 CG LEU A 186 2.192 7.128 8.993 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.237 6.595 10.050 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.209 8.073 9.621 1.00 0.00 C ATOM 0 H LEU A 186 0.330 5.441 7.553 1.00 0.00 H new ATOM 0 HA LEU A 186 2.832 6.166 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.873 5.097 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.949 6.240 8.145 1.00 0.00 H new ATOM 0 HG LEU A 186 1.614 7.685 8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.743 7.429 10.548 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.488 5.960 9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.795 6.013 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.687 8.886 10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.815 7.527 10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.854 8.482 8.843 1.00 0.00 H new ATOM 2773 N GLY A 187 3.551 3.780 5.845 1.00 0.00 N ATOM 2774 CA GLY A 187 3.829 2.388 5.549 1.00 0.00 C ATOM 2775 C GLY A 187 5.300 2.110 5.314 1.00 0.00 C ATOM 2776 O GLY A 187 6.108 3.032 5.198 1.00 0.00 O ATOM 0 H GLY A 187 4.170 4.452 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.477 1.770 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.264 2.091 4.665 1.00 0.00 H new ATOM 2780 N VAL A 188 5.640 0.828 5.237 1.00 0.00 N ATOM 2781 CA VAL A 188 7.017 0.405 5.007 1.00 0.00 C ATOM 2782 C VAL A 188 7.078 -0.648 3.906 1.00 0.00 C ATOM 2783 O VAL A 188 6.144 -1.435 3.741 1.00 0.00 O ATOM 2784 CB VAL A 188 7.660 -0.165 6.288 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.167 0.961 7.177 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.675 -1.047 7.044 1.00 0.00 C ATOM 0 H VAL A 188 4.976 0.059 5.331 1.00 0.00 H new ATOM 0 HA VAL A 188 7.576 1.289 4.702 1.00 0.00 H new ATOM 0 HB VAL A 188 8.510 -0.782 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.617 0.540 8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 188 8.913 1.544 6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.335 1.607 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.152 -1.437 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 188 5.800 -0.459 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.367 -1.877 6.408 1.00 0.00 H new ATOM 2796 N SER A 189 8.171 -0.657 3.150 1.00 0.00 N ATOM 2797 CA SER A 189 8.329 -1.618 2.065 1.00 0.00 C ATOM 2798 C SER A 189 9.798 -1.929 1.805 1.00 0.00 C ATOM 2799 O SER A 189 10.690 -1.330 2.406 1.00 0.00 O ATOM 2800 CB SER A 189 7.682 -1.083 0.786 1.00 0.00 C ATOM 2801 OG SER A 189 8.361 0.069 0.314 1.00 0.00 O ATOM 0 H SER A 189 8.955 -0.015 3.267 1.00 0.00 H new ATOM 0 HA SER A 189 7.833 -2.541 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.694 -1.856 0.018 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.637 -0.840 0.978 1.00 0.00 H new ATOM 0 HG SER A 189 7.929 0.391 -0.505 1.00 0.00 H new ATOM 2807 N TYR A 190 10.037 -2.874 0.900 1.00 0.00 N ATOM 2808 CA TYR A 190 11.392 -3.274 0.547 1.00 0.00 C ATOM 2809 C TYR A 190 11.473 -3.654 -0.929 1.00 0.00 C ATOM 2810 O TYR A 190 10.468 -4.015 -1.544 1.00 0.00 O ATOM 2811 CB TYR A 190 11.841 -4.452 1.414 1.00 0.00 C ATOM 2812 CG TYR A 190 10.997 -5.693 1.236 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.657 -5.704 1.608 1.00 0.00 C ATOM 2814 CD2 TYR A 190 11.535 -6.853 0.695 1.00 0.00 C ATOM 2815 CE1 TYR A 190 8.880 -6.836 1.446 1.00 0.00 C ATOM 2816 CE2 TYR A 190 10.766 -7.989 0.530 1.00 0.00 C ATOM 2817 CZ TYR A 190 9.441 -7.975 0.907 1.00 0.00 C ATOM 2818 OH TYR A 190 8.671 -9.104 0.744 1.00 0.00 O ATOM 0 H TYR A 190 9.306 -3.377 0.397 1.00 0.00 H new ATOM 0 HA TYR A 190 12.056 -2.428 0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.878 -4.691 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.814 -4.152 2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 190 9.216 -4.813 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 190 12.573 -6.868 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 190 7.841 -6.829 1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 190 11.201 -8.883 0.108 1.00 0.00 H new ATOM 0 HH TYR A 190 9.216 -9.818 0.351 1.00 0.00 H new ATOM 2828 N ARG A 191 12.675 -3.568 -1.490 1.00 0.00 N ATOM 2829 CA ARG A 191 12.890 -3.899 -2.895 1.00 0.00 C ATOM 2830 C ARG A 191 13.458 -5.306 -3.042 1.00 0.00 C ATOM 2831 O ARG A 191 14.220 -5.771 -2.193 1.00 0.00 O ATOM 2832 CB ARG A 191 13.835 -2.884 -3.539 1.00 0.00 C ATOM 2833 CG ARG A 191 13.913 -2.999 -5.052 1.00 0.00 C ATOM 2834 CD ARG A 191 15.350 -3.124 -5.532 1.00 0.00 C ATOM 2835 NE ARG A 191 16.200 -2.059 -5.003 1.00 0.00 N ATOM 2836 CZ ARG A 191 17.525 -2.042 -5.116 1.00 0.00 C ATOM 2837 NH1 ARG A 191 18.159 -3.029 -5.738 1.00 0.00 N ATOM 2838 NH2 ARG A 191 18.222 -1.035 -4.605 1.00 0.00 N ATOM 0 H ARG A 191 13.515 -3.272 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 191 11.927 -3.862 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.508 -1.878 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 191 14.833 -3.014 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 191 13.342 -3.867 -5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 191 13.452 -2.123 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 191 15.750 -4.091 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.372 -3.097 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 191 15.750 -1.282 -4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.630 -3.806 -6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 191 19.175 -3.010 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 191 17.742 -0.274 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 191 19.238 -1.022 -4.692 1.00 0.00 H new