USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot -124:sc= 1.23 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 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= -0.504 X(o=-0.5,f=-0.023) USER MOD Single : A 70 MET CE :methyl -169:sc= 0 (180deg=-0.179) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.119 X(o=0.12,f=-0.19) USER MOD Single : A 95 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.9!) USER MOD Single : A 97 THR OG1 : rot -154:sc= -0.764 USER MOD Single : A 99 LYS NZ :NH3+ 140:sc= -0.0478 (180deg=-0.547) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 155:sc= -0.0544 (180deg=-0.562) USER MOD Single : A 142 SER OG : rot 35:sc= 0.386 USER MOD Single : A 159 THR OG1 : rot 26:sc= 0.305 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 185 SER OG : rot -120:sc= -1.18 USER MOD Single : A 189 SER OG : rot 130:sc= 0.192 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.219 -3.898 -11.602 1.00 0.00 N ATOM 276 CA THR A 18 12.384 -3.963 -10.154 1.00 0.00 C ATOM 277 C THR A 18 11.057 -4.269 -9.468 1.00 0.00 C ATOM 278 O THR A 18 9.989 -3.939 -9.986 1.00 0.00 O ATOM 279 CB THR A 18 12.951 -2.645 -9.624 1.00 0.00 C ATOM 280 OG1 THR A 18 12.934 -2.623 -8.207 1.00 0.00 O ATOM 281 CG2 THR A 18 12.195 -1.427 -10.110 1.00 0.00 C ATOM 0 HA THR A 18 13.083 -4.768 -9.930 1.00 0.00 H new ATOM 0 HB THR A 18 13.970 -2.597 -10.008 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.436 -1.837 -7.898 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.650 -0.527 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.233 -1.385 -11.199 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.156 -1.490 -9.786 1.00 0.00 H new ATOM 289 N TRP A 19 11.130 -4.905 -8.303 1.00 0.00 N ATOM 290 CA TRP A 19 9.934 -5.258 -7.547 1.00 0.00 C ATOM 291 C TRP A 19 9.927 -4.566 -6.187 1.00 0.00 C ATOM 292 O TRP A 19 10.914 -4.609 -5.452 1.00 0.00 O ATOM 293 CB TRP A 19 9.853 -6.775 -7.364 1.00 0.00 C ATOM 294 CG TRP A 19 8.636 -7.386 -7.987 1.00 0.00 C ATOM 295 CD1 TRP A 19 8.415 -7.598 -9.319 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.470 -7.864 -7.306 1.00 0.00 C ATOM 297 NE1 TRP A 19 7.184 -8.178 -9.506 1.00 0.00 N ATOM 298 CE2 TRP A 19 6.585 -8.352 -8.286 1.00 0.00 C ATOM 299 CE3 TRP A 19 7.089 -7.928 -5.962 1.00 0.00 C ATOM 300 CZ2 TRP A 19 5.344 -8.896 -7.963 1.00 0.00 C ATOM 301 CZ3 TRP A 19 5.857 -8.468 -5.645 1.00 0.00 C ATOM 302 CH2 TRP A 19 4.998 -8.946 -6.641 1.00 0.00 C ATOM 0 H TRP A 19 12.006 -5.187 -7.862 1.00 0.00 H new ATOM 0 HA TRP A 19 9.063 -4.920 -8.109 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.742 -7.233 -7.796 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.861 -7.006 -6.299 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.107 -7.346 -10.109 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.781 -8.437 -10.407 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.745 -7.562 -5.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.679 -9.265 -8.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 5.552 -8.522 -4.610 1.00 0.00 H new ATOM 0 HH2 TRP A 19 4.042 -9.363 -6.360 1.00 0.00 H new ATOM 313 N TYR A 20 8.807 -3.931 -5.856 1.00 0.00 N ATOM 314 CA TYR A 20 8.674 -3.233 -4.583 1.00 0.00 C ATOM 315 C TYR A 20 7.439 -3.714 -3.828 1.00 0.00 C ATOM 316 O TYR A 20 6.366 -3.873 -4.412 1.00 0.00 O ATOM 317 CB TYR A 20 8.588 -1.722 -4.813 1.00 0.00 C ATOM 318 CG TYR A 20 9.929 -1.072 -5.071 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.721 -0.627 -4.020 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.402 -0.905 -6.367 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.947 -0.033 -4.254 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.627 -0.312 -6.608 1.00 0.00 C ATOM 323 CZ TYR A 20 12.394 0.122 -5.549 1.00 0.00 C ATOM 324 OH TYR A 20 13.615 0.713 -5.784 1.00 0.00 O ATOM 0 H TYR A 20 7.980 -3.886 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 20 9.556 -3.453 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.931 -1.529 -5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.129 -1.256 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.373 -0.747 -3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.803 -1.244 -7.199 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.552 0.308 -3.427 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.981 -0.190 -7.621 1.00 0.00 H new ATOM 0 HH TYR A 20 13.782 0.745 -6.749 1.00 0.00 H new ATOM 334 N ALA A 21 7.598 -3.946 -2.529 1.00 0.00 N ATOM 335 CA ALA A 21 6.496 -4.412 -1.697 1.00 0.00 C ATOM 336 C ALA A 21 6.540 -3.773 -0.312 1.00 0.00 C ATOM 337 O ALA A 21 7.604 -3.378 0.166 1.00 0.00 O ATOM 338 CB ALA A 21 6.526 -5.929 -1.583 1.00 0.00 C ATOM 0 H ALA A 21 8.479 -3.819 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 21 5.563 -4.112 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.697 -6.263 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.434 -6.370 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.468 -6.241 -1.133 1.00 0.00 H new ATOM 344 N GLY A 22 5.378 -3.673 0.324 1.00 0.00 N ATOM 345 CA GLY A 22 5.304 -3.082 1.647 1.00 0.00 C ATOM 346 C GLY A 22 3.876 -2.890 2.115 1.00 0.00 C ATOM 347 O GLY A 22 2.946 -3.453 1.537 1.00 0.00 O ATOM 0 H GLY A 22 4.485 -3.991 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.833 -3.718 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.814 -2.119 1.641 1.00 0.00 H new ATOM 351 N GLY A 23 3.699 -2.092 3.163 1.00 0.00 N ATOM 352 CA GLY A 23 2.369 -1.841 3.687 1.00 0.00 C ATOM 353 C GLY A 23 2.307 -0.589 4.538 1.00 0.00 C ATOM 354 O GLY A 23 3.301 -0.197 5.153 1.00 0.00 O ATOM 0 H GLY A 23 4.452 -1.615 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.667 -1.748 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.049 -2.697 4.282 1.00 0.00 H new ATOM 358 N LYS A 24 1.136 0.044 4.573 1.00 0.00 N ATOM 359 CA LYS A 24 0.950 1.261 5.355 1.00 0.00 C ATOM 360 C LYS A 24 -0.330 1.191 6.180 1.00 0.00 C ATOM 361 O LYS A 24 -1.247 0.434 5.862 1.00 0.00 O ATOM 362 CB LYS A 24 0.909 2.480 4.433 1.00 0.00 C ATOM 363 CG LYS A 24 -0.044 2.325 3.261 1.00 0.00 C ATOM 364 CD LYS A 24 -1.470 2.691 3.646 1.00 0.00 C ATOM 365 CE LYS A 24 -2.454 1.605 3.239 1.00 0.00 C ATOM 366 NZ LYS A 24 -3.833 2.141 3.073 1.00 0.00 N ATOM 0 H LYS A 24 0.305 -0.266 4.070 1.00 0.00 H new ATOM 0 HA LYS A 24 1.794 1.356 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.617 3.355 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.912 2.671 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.285 2.959 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.016 1.296 2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.528 2.851 4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.747 3.631 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.126 1.150 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.459 0.818 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.474 1.370 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.156 2.553 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.834 2.874 2.336 1.00 0.00 H new ATOM 380 N LEU A 25 -0.384 1.990 7.241 1.00 0.00 N ATOM 381 CA LEU A 25 -1.549 2.026 8.117 1.00 0.00 C ATOM 382 C LEU A 25 -2.046 3.456 8.294 1.00 0.00 C ATOM 383 O LEU A 25 -1.256 4.402 8.304 1.00 0.00 O ATOM 384 CB LEU A 25 -1.210 1.417 9.480 1.00 0.00 C ATOM 385 CG LEU A 25 -2.416 1.136 10.380 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.507 -0.349 10.708 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.335 1.958 11.657 1.00 0.00 C ATOM 0 H LEU A 25 0.368 2.623 7.515 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.341 1.438 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.670 0.484 9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.533 2.092 10.005 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.318 1.425 9.841 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.371 -0.528 11.349 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.615 -0.919 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.600 -0.664 11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.201 1.744 12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.424 1.701 12.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.322 3.019 11.407 1.00 0.00 H new ATOM 399 N GLY A 26 -3.360 3.608 8.429 1.00 0.00 N ATOM 400 CA GLY A 26 -3.940 4.928 8.602 1.00 0.00 C ATOM 401 C GLY A 26 -5.185 4.907 9.466 1.00 0.00 C ATOM 402 O GLY A 26 -5.524 3.879 10.054 1.00 0.00 O ATOM 0 H GLY A 26 -4.033 2.842 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.200 5.590 9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.187 5.344 7.625 1.00 0.00 H new ATOM 799 N GLY A 53 -6.967 1.278 9.901 1.00 0.00 N ATOM 800 CA GLY A 53 -7.003 0.557 8.643 1.00 0.00 C ATOM 801 C GLY A 53 -5.621 0.157 8.164 1.00 0.00 C ATOM 802 O GLY A 53 -4.700 0.974 8.152 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.617 -0.336 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.481 1.178 7.885 1.00 0.00 H new ATOM 806 N ALA A 54 -5.477 -1.106 7.768 1.00 0.00 N ATOM 807 CA ALA A 54 -4.198 -1.612 7.285 1.00 0.00 C ATOM 808 C ALA A 54 -4.244 -1.864 5.783 1.00 0.00 C ATOM 809 O ALA A 54 -5.199 -2.452 5.273 1.00 0.00 O ATOM 810 CB ALA A 54 -3.819 -2.886 8.026 1.00 0.00 C ATOM 0 H ALA A 54 -6.229 -1.795 7.773 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.438 -0.855 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.862 -3.252 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.738 -2.676 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.585 -3.644 7.862 1.00 0.00 H new ATOM 816 N GLY A 55 -3.211 -1.417 5.079 1.00 0.00 N ATOM 817 CA GLY A 55 -3.159 -1.606 3.642 1.00 0.00 C ATOM 818 C GLY A 55 -1.781 -2.001 3.153 1.00 0.00 C ATOM 819 O GLY A 55 -0.777 -1.424 3.570 1.00 0.00 O ATOM 0 H GLY A 55 -2.409 -0.928 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.876 -2.375 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.465 -0.684 3.147 1.00 0.00 H new ATOM 823 N ALA A 56 -1.735 -2.989 2.264 1.00 0.00 N ATOM 824 CA ALA A 56 -0.471 -3.461 1.711 1.00 0.00 C ATOM 825 C ALA A 56 -0.273 -2.945 0.291 1.00 0.00 C ATOM 826 O ALA A 56 -1.196 -2.969 -0.522 1.00 0.00 O ATOM 827 CB ALA A 56 -0.422 -4.981 1.735 1.00 0.00 C ATOM 0 H ALA A 56 -2.558 -3.478 1.912 1.00 0.00 H new ATOM 0 HA ALA A 56 0.339 -3.073 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.527 -5.321 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.515 -5.332 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.243 -5.381 1.140 1.00 0.00 H new ATOM 833 N PHE A 57 0.936 -2.474 -0.002 1.00 0.00 N ATOM 834 CA PHE A 57 1.248 -1.950 -1.326 1.00 0.00 C ATOM 835 C PHE A 57 2.371 -2.746 -1.984 1.00 0.00 C ATOM 836 O PHE A 57 3.392 -3.032 -1.360 1.00 0.00 O ATOM 837 CB PHE A 57 1.643 -0.474 -1.232 1.00 0.00 C ATOM 838 CG PHE A 57 0.470 0.464 -1.275 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.559 0.349 -0.355 1.00 0.00 C ATOM 840 CD2 PHE A 57 0.398 1.461 -2.234 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.639 1.210 -0.391 1.00 0.00 C ATOM 842 CE2 PHE A 57 -0.680 2.327 -2.275 1.00 0.00 C ATOM 843 CZ PHE A 57 -1.699 2.200 -1.352 1.00 0.00 C ATOM 0 H PHE A 57 1.713 -2.445 0.658 1.00 0.00 H new ATOM 0 HA PHE A 57 0.354 -2.045 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.194 -0.312 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.320 -0.234 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.517 -0.423 0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.193 1.563 -2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.435 1.109 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.724 3.101 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.542 2.874 -1.382 1.00 0.00 H new ATOM 853 N GLY A 58 2.172 -3.099 -3.249 1.00 0.00 N ATOM 854 CA GLY A 58 3.171 -3.858 -3.977 1.00 0.00 C ATOM 855 C GLY A 58 3.040 -3.694 -5.478 1.00 0.00 C ATOM 856 O GLY A 58 1.969 -3.922 -6.042 1.00 0.00 O ATOM 0 H GLY A 58 1.334 -2.872 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.165 -3.538 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.080 -4.913 -3.720 1.00 0.00 H new ATOM 860 N GLY A 59 4.127 -3.293 -6.128 1.00 0.00 N ATOM 861 CA GLY A 59 4.099 -3.102 -7.567 1.00 0.00 C ATOM 862 C GLY A 59 5.418 -3.450 -8.229 1.00 0.00 C ATOM 863 O GLY A 59 6.364 -3.869 -7.563 1.00 0.00 O ATOM 0 H GLY A 59 5.025 -3.097 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.308 -3.718 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.849 -2.064 -7.787 1.00 0.00 H new ATOM 867 N TYR A 60 5.479 -3.274 -9.545 1.00 0.00 N ATOM 868 CA TYR A 60 6.689 -3.571 -10.303 1.00 0.00 C ATOM 869 C TYR A 60 6.760 -2.724 -11.570 1.00 0.00 C ATOM 870 O TYR A 60 5.750 -2.192 -12.031 1.00 0.00 O ATOM 871 CB TYR A 60 6.735 -5.056 -10.668 1.00 0.00 C ATOM 872 CG TYR A 60 5.559 -5.511 -11.501 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.297 -5.652 -10.937 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.710 -5.801 -12.852 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.219 -6.069 -11.696 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.636 -6.216 -13.616 1.00 0.00 C ATOM 877 CZ TYR A 60 3.394 -6.349 -13.035 1.00 0.00 C ATOM 878 OH TYR A 60 2.323 -6.763 -13.793 1.00 0.00 O ATOM 0 H TYR A 60 4.703 -2.927 -10.109 1.00 0.00 H new ATOM 0 HA TYR A 60 7.548 -3.329 -9.677 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.656 -5.259 -11.214 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.771 -5.646 -9.752 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.156 -5.432 -9.889 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.682 -5.700 -13.312 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.245 -6.175 -11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.770 -6.435 -14.665 1.00 0.00 H new ATOM 0 HH TYR A 60 2.615 -6.917 -14.716 1.00 0.00 H new ATOM 888 N GLN A 61 7.960 -2.606 -12.126 1.00 0.00 N ATOM 889 CA GLN A 61 8.167 -1.827 -13.342 1.00 0.00 C ATOM 890 C GLN A 61 8.297 -2.742 -14.556 1.00 0.00 C ATOM 891 O GLN A 61 8.972 -3.769 -14.500 1.00 0.00 O ATOM 892 CB GLN A 61 9.417 -0.954 -13.207 1.00 0.00 C ATOM 893 CG GLN A 61 9.118 0.481 -12.805 1.00 0.00 C ATOM 894 CD GLN A 61 9.890 1.491 -13.630 1.00 0.00 C ATOM 895 OE1 GLN A 61 11.094 1.347 -13.841 1.00 0.00 O ATOM 896 NE2 GLN A 61 9.199 2.523 -14.100 1.00 0.00 N ATOM 0 H GLN A 61 8.805 -3.040 -11.754 1.00 0.00 H new ATOM 0 HA GLN A 61 7.299 -1.184 -13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.082 -1.399 -12.467 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.953 -0.952 -14.156 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.050 0.670 -12.913 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.360 0.617 -11.751 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.202 2.602 -13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.665 3.236 -14.661 1.00 0.00 H new ATOM 970 N LEU A 66 7.030 3.930 -16.273 1.00 0.00 N ATOM 971 CA LEU A 66 6.153 3.778 -15.119 1.00 0.00 C ATOM 972 C LEU A 66 5.920 2.306 -14.797 1.00 0.00 C ATOM 973 O LEU A 66 6.188 1.430 -15.620 1.00 0.00 O ATOM 974 CB LEU A 66 4.814 4.470 -15.379 1.00 0.00 C ATOM 975 CG LEU A 66 4.218 4.222 -16.768 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.797 3.691 -16.659 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.248 5.497 -17.599 1.00 0.00 C ATOM 0 HA LEU A 66 6.640 4.244 -14.262 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.098 4.137 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.944 5.544 -15.242 1.00 0.00 H new ATOM 0 HG LEU A 66 4.826 3.469 -17.269 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.394 3.522 -17.658 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.801 2.752 -16.106 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.176 4.418 -16.135 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.820 5.301 -18.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.666 6.271 -17.099 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.279 5.833 -17.712 1.00 0.00 H new ATOM 989 N GLY A 67 5.420 2.041 -13.595 1.00 0.00 N ATOM 990 CA GLY A 67 5.157 0.673 -13.185 1.00 0.00 C ATOM 991 C GLY A 67 3.762 0.497 -12.617 1.00 0.00 C ATOM 992 O GLY A 67 3.059 1.477 -12.367 1.00 0.00 O ATOM 0 H GLY A 67 5.192 2.749 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.284 0.010 -14.040 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.891 0.373 -12.437 1.00 0.00 H new ATOM 996 N PHE A 68 3.361 -0.753 -12.412 1.00 0.00 N ATOM 997 CA PHE A 68 2.041 -1.051 -11.868 1.00 0.00 C ATOM 998 C PHE A 68 2.122 -1.329 -10.371 1.00 0.00 C ATOM 999 O PHE A 68 3.042 -2.003 -9.907 1.00 0.00 O ATOM 1000 CB PHE A 68 1.426 -2.253 -12.589 1.00 0.00 C ATOM 1001 CG PHE A 68 1.582 -2.203 -14.082 1.00 0.00 C ATOM 1002 CD1 PHE A 68 2.747 -2.649 -14.686 1.00 0.00 C ATOM 1003 CD2 PHE A 68 0.564 -1.713 -14.883 1.00 0.00 C ATOM 1004 CE1 PHE A 68 2.894 -2.606 -16.059 1.00 0.00 C ATOM 1005 CE2 PHE A 68 0.704 -1.666 -16.258 1.00 0.00 C ATOM 1006 CZ PHE A 68 1.871 -2.114 -16.846 1.00 0.00 C ATOM 0 H PHE A 68 3.930 -1.575 -12.614 1.00 0.00 H new ATOM 0 HA PHE A 68 1.406 -0.179 -12.025 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.888 -3.166 -12.214 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.365 -2.309 -12.345 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.550 -3.035 -14.076 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.351 -1.363 -14.428 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.807 -2.957 -16.516 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.097 -1.280 -16.871 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.983 -2.080 -17.920 1.00 0.00 H new ATOM 1016 N GLU A 69 1.157 -0.807 -9.620 1.00 0.00 N ATOM 1017 CA GLU A 69 1.127 -1.002 -8.177 1.00 0.00 C ATOM 1018 C GLU A 69 -0.213 -1.578 -7.732 1.00 0.00 C ATOM 1019 O GLU A 69 -1.274 -1.061 -8.086 1.00 0.00 O ATOM 1020 CB GLU A 69 1.395 0.321 -7.455 1.00 0.00 C ATOM 1021 CG GLU A 69 1.289 0.225 -5.942 1.00 0.00 C ATOM 1022 CD GLU A 69 2.170 1.233 -5.230 1.00 0.00 C ATOM 1023 OE1 GLU A 69 2.045 2.442 -5.524 1.00 0.00 O ATOM 1024 OE2 GLU A 69 2.983 0.816 -4.379 1.00 0.00 O ATOM 0 H GLU A 69 0.388 -0.247 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 69 1.910 -1.714 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.392 0.673 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.688 1.069 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.252 0.380 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.565 -0.781 -5.625 1.00 0.00 H new ATOM 1031 N MET A 70 -0.153 -2.649 -6.949 1.00 0.00 N ATOM 1032 CA MET A 70 -1.356 -3.299 -6.446 1.00 0.00 C ATOM 1033 C MET A 70 -1.481 -3.095 -4.941 1.00 0.00 C ATOM 1034 O MET A 70 -0.538 -3.345 -4.190 1.00 0.00 O ATOM 1035 CB MET A 70 -1.331 -4.793 -6.772 1.00 0.00 C ATOM 1036 CG MET A 70 -1.206 -5.090 -8.257 1.00 0.00 C ATOM 1037 SD MET A 70 0.478 -5.517 -8.742 1.00 0.00 S ATOM 1038 CE MET A 70 0.189 -7.004 -9.698 1.00 0.00 C ATOM 0 H MET A 70 0.718 -3.086 -6.649 1.00 0.00 H new ATOM 0 HA MET A 70 -2.220 -2.848 -6.934 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.497 -5.257 -6.246 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.243 -5.254 -6.393 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.874 -5.911 -8.517 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.534 -4.220 -8.826 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.140 -7.496 -9.902 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.455 -7.679 -9.135 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.294 -6.743 -10.640 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.650 -2.639 -4.504 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.871 -2.407 -3.089 1.00 0.00 C ATOM 1050 C GLY A 71 -3.837 -3.406 -2.485 1.00 0.00 C ATOM 1051 O GLY A 71 -4.718 -3.922 -3.173 1.00 0.00 O ATOM 0 H GLY A 71 -3.447 -2.426 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.919 -2.461 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.258 -1.398 -2.945 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.675 -3.679 -1.196 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.542 -4.623 -0.504 1.00 0.00 C ATOM 1057 C TYR A 72 -5.164 -3.978 0.730 1.00 0.00 C ATOM 1058 O TYR A 72 -4.463 -3.628 1.677 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.754 -5.871 -0.098 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.091 -6.573 -1.261 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -3.771 -7.534 -1.996 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -1.783 -6.274 -1.623 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.168 -8.180 -3.060 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.173 -6.915 -2.685 1.00 0.00 C ATOM 1065 CZ TYR A 72 -1.870 -7.866 -3.400 1.00 0.00 C ATOM 1066 OH TYR A 72 -1.266 -8.504 -4.458 1.00 0.00 O ATOM 0 H TYR A 72 -2.952 -3.261 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.341 -4.914 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.991 -5.589 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.426 -6.569 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.789 -7.782 -1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.234 -5.529 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.711 -8.926 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.155 -6.672 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.352 -8.166 -4.565 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.483 -3.822 0.714 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.192 -3.217 1.837 1.00 0.00 C ATOM 1078 C ASP A 73 -7.552 -4.269 2.878 1.00 0.00 C ATOM 1079 O ASP A 73 -8.297 -5.210 2.594 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.459 -2.497 1.362 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.304 -1.884 -0.017 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.058 -2.641 -0.979 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -8.431 -0.647 -0.134 1.00 0.00 O ATOM 0 H ASP A 73 -7.082 -4.105 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.527 -2.484 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.290 -3.203 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.716 -1.714 2.076 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.016 -4.103 4.083 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.273 -5.034 5.175 1.00 0.00 C ATOM 1090 C TRP A 74 -7.635 -4.288 6.454 1.00 0.00 C ATOM 1091 O TRP A 74 -7.018 -3.276 6.792 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.045 -5.915 5.416 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.384 -7.283 5.921 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.270 -8.165 5.370 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.843 -7.930 7.079 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.313 -9.318 6.114 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.445 -9.199 7.168 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.907 -7.557 8.048 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.141 -10.096 8.188 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -4.607 -8.450 9.060 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -5.221 -9.706 9.123 1.00 0.00 C ATOM 0 H TRP A 74 -6.399 -3.329 4.328 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.117 -5.663 4.893 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.485 -6.008 4.485 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.389 -5.423 6.134 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.852 -7.982 4.479 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.896 -10.131 5.915 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.428 -6.590 8.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.614 -11.065 8.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.886 -8.173 9.815 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.964 -10.381 9.926 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.841 -8.793 1.226 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.462 -8.369 1.001 1.00 0.00 C ATOM 1363 C GLN A 92 -10.404 -7.312 -0.096 1.00 0.00 C ATOM 1364 O GLN A 92 -10.940 -7.508 -1.186 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.592 -9.568 0.622 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.159 -9.461 1.117 1.00 0.00 C ATOM 1367 CD GLN A 92 -7.711 -10.690 1.882 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -8.006 -11.820 1.494 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -6.992 -10.475 2.979 1.00 0.00 N ATOM 0 HA GLN A 92 -10.079 -7.936 1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.041 -10.475 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.586 -9.673 -0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.496 -9.306 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.065 -8.585 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.770 -9.521 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.662 -11.264 3.535 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.761 -6.187 0.200 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.662 -5.118 -0.777 1.00 0.00 C ATOM 1380 C GLY A 93 -8.518 -5.311 -1.753 1.00 0.00 C ATOM 1381 O GLY A 93 -7.396 -5.619 -1.354 1.00 0.00 O ATOM 0 H GLY A 93 -9.309 -5.997 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.598 -5.052 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.532 -4.169 -0.257 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.806 -5.115 -3.036 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.800 -5.252 -4.084 1.00 0.00 C ATOM 1387 C VAL A 94 -7.726 -3.975 -4.913 1.00 0.00 C ATOM 1388 O VAL A 94 -8.705 -3.574 -5.541 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.095 -6.450 -5.018 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.271 -7.662 -4.610 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.579 -6.791 -5.019 1.00 0.00 C ATOM 0 H VAL A 94 -9.733 -4.859 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.845 -5.433 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.813 -6.163 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.492 -8.494 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.210 -7.419 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.519 -7.943 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.758 -7.636 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.893 -7.051 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.150 -5.930 -5.366 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.565 -3.328 -4.897 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.374 -2.084 -5.632 1.00 0.00 C ATOM 1403 C GLN A 95 -5.462 -2.276 -6.840 1.00 0.00 C ATOM 1404 O GLN A 95 -4.438 -2.953 -6.762 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.786 -1.013 -4.711 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.834 -0.249 -3.918 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.559 1.241 -3.876 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -6.791 1.955 -4.853 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -6.059 1.721 -2.743 1.00 0.00 N ATOM 0 H GLN A 95 -5.743 -3.645 -4.383 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.351 -1.763 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.090 -1.485 -4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.210 -0.307 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.816 -0.422 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.869 -0.637 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.882 1.094 -1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.852 2.716 -2.658 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.842 -1.654 -7.952 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.065 -1.728 -9.185 1.00 0.00 C ATOM 1420 C LEU A 96 -4.791 -0.319 -9.706 1.00 0.00 C ATOM 1421 O LEU A 96 -5.700 0.352 -10.193 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.820 -2.551 -10.236 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.255 -2.482 -11.657 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.206 -3.869 -12.283 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.087 -1.540 -12.514 1.00 0.00 C ATOM 0 H LEU A 96 -6.689 -1.090 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.114 -2.219 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.830 -3.593 -9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.857 -2.215 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.238 -2.094 -11.604 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.802 -3.798 -13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.569 -4.517 -11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.212 -4.286 -12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.672 -1.502 -13.521 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.115 -1.900 -12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.071 -0.541 -12.077 1.00 0.00 H new ATOM 1437 N THR A 97 -3.543 0.136 -9.580 1.00 0.00 N ATOM 1438 CA THR A 97 -3.187 1.479 -10.021 1.00 0.00 C ATOM 1439 C THR A 97 -1.778 1.530 -10.598 1.00 0.00 C ATOM 1440 O THR A 97 -0.957 0.646 -10.353 1.00 0.00 O ATOM 1441 CB THR A 97 -3.291 2.455 -8.847 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.242 2.230 -7.919 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.600 2.351 -8.091 1.00 0.00 C ATOM 0 H THR A 97 -2.773 -0.401 -9.181 1.00 0.00 H new ATOM 0 HA THR A 97 -3.885 1.764 -10.808 1.00 0.00 H new ATOM 0 HB THR A 97 -3.226 3.449 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.522 2.530 -7.029 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.606 3.071 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.428 2.563 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.709 1.344 -7.689 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.501 2.591 -11.351 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.190 2.788 -11.950 1.00 0.00 C ATOM 1453 C ALA A 98 0.681 3.636 -11.031 1.00 0.00 C ATOM 1454 O ALA A 98 0.277 4.719 -10.607 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.321 3.444 -13.316 1.00 0.00 C ATOM 0 H ALA A 98 -2.173 3.330 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 98 0.284 1.816 -12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.669 3.584 -13.749 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.916 2.807 -13.970 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.810 4.412 -13.209 1.00 0.00 H new ATOM 1461 N LYS A 99 1.868 3.132 -10.707 1.00 0.00 N ATOM 1462 CA LYS A 99 2.779 3.840 -9.815 1.00 0.00 C ATOM 1463 C LYS A 99 3.937 4.478 -10.576 1.00 0.00 C ATOM 1464 O LYS A 99 4.602 3.827 -11.382 1.00 0.00 O ATOM 1465 CB LYS A 99 3.325 2.884 -8.755 1.00 0.00 C ATOM 1466 CG LYS A 99 3.997 1.651 -9.337 1.00 0.00 C ATOM 1467 CD LYS A 99 5.126 1.154 -8.444 1.00 0.00 C ATOM 1468 CE LYS A 99 6.362 0.798 -9.254 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.055 -0.402 -8.712 1.00 0.00 N ATOM 0 H LYS A 99 2.221 2.238 -11.048 1.00 0.00 H new ATOM 0 HA LYS A 99 2.213 4.638 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.042 3.418 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.508 2.570 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.258 0.860 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.390 1.883 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.378 1.922 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.792 0.280 -7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.077 0.615 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.050 1.644 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.384 -0.998 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.870 -0.103 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.396 -0.945 -8.119 1.00 0.00 H new ATOM 1483 N LEU A 100 4.181 5.754 -10.295 1.00 0.00 N ATOM 1484 CA LEU A 100 5.269 6.486 -10.930 1.00 0.00 C ATOM 1485 C LEU A 100 6.019 7.322 -9.894 1.00 0.00 C ATOM 1486 O LEU A 100 5.421 8.140 -9.193 1.00 0.00 O ATOM 1487 CB LEU A 100 4.740 7.378 -12.059 1.00 0.00 C ATOM 1488 CG LEU A 100 4.012 8.648 -11.610 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.998 9.795 -11.435 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.929 9.019 -12.613 1.00 0.00 C ATOM 0 H LEU A 100 3.637 6.303 -9.629 1.00 0.00 H new ATOM 0 HA LEU A 100 5.961 5.765 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.578 7.666 -12.694 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.061 6.789 -12.675 1.00 0.00 H new ATOM 0 HG LEU A 100 3.539 8.455 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.463 10.689 -11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.738 9.527 -10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.500 9.991 -12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.420 9.924 -12.281 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.382 9.195 -13.589 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.209 8.204 -12.689 1.00 0.00 H new ATOM 1502 N GLY A 101 7.328 7.105 -9.797 1.00 0.00 N ATOM 1503 CA GLY A 101 8.131 7.842 -8.838 1.00 0.00 C ATOM 1504 C GLY A 101 9.596 7.888 -9.222 1.00 0.00 C ATOM 1505 O GLY A 101 10.000 7.300 -10.226 1.00 0.00 O ATOM 0 H GLY A 101 7.845 6.433 -10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.749 8.859 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.031 7.382 -7.855 1.00 0.00 H new ATOM 1509 N TYR A 102 10.397 8.590 -8.423 1.00 0.00 N ATOM 1510 CA TYR A 102 11.826 8.707 -8.693 1.00 0.00 C ATOM 1511 C TYR A 102 12.577 9.259 -7.483 1.00 0.00 C ATOM 1512 O TYR A 102 12.006 9.977 -6.662 1.00 0.00 O ATOM 1513 CB TYR A 102 12.062 9.607 -9.908 1.00 0.00 C ATOM 1514 CG TYR A 102 13.090 9.064 -10.876 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.951 7.797 -11.428 1.00 0.00 C ATOM 1516 CD2 TYR A 102 14.200 9.819 -11.235 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.890 7.298 -12.311 1.00 0.00 C ATOM 1518 CE2 TYR A 102 15.142 9.327 -12.117 1.00 0.00 C ATOM 1519 CZ TYR A 102 14.982 8.065 -12.653 1.00 0.00 C ATOM 1520 OH TYR A 102 15.918 7.573 -13.533 1.00 0.00 O ATOM 0 H TYR A 102 10.082 9.084 -7.588 1.00 0.00 H new ATOM 0 HA TYR A 102 12.209 7.709 -8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 102 11.118 9.746 -10.435 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.383 10.590 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 102 12.096 7.192 -11.163 1.00 0.00 H new ATOM 0 HD2 TYR A 102 14.328 10.807 -10.817 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.768 6.311 -12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 102 15.999 9.926 -12.386 1.00 0.00 H new ATOM 0 HH TYR A 102 16.623 8.240 -13.668 1.00 0.00 H new ATOM 1530 N PRO A 103 13.879 8.936 -7.359 1.00 0.00 N ATOM 1531 CA PRO A 103 14.712 9.407 -6.245 1.00 0.00 C ATOM 1532 C PRO A 103 14.802 10.928 -6.201 1.00 0.00 C ATOM 1533 O PRO A 103 14.339 11.612 -7.114 1.00 0.00 O ATOM 1534 CB PRO A 103 16.090 8.799 -6.536 1.00 0.00 C ATOM 1535 CG PRO A 103 15.831 7.677 -7.481 1.00 0.00 C ATOM 1536 CD PRO A 103 14.640 8.091 -8.294 1.00 0.00 C ATOM 0 HA PRO A 103 14.302 9.112 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.761 9.537 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.564 8.442 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.696 7.496 -8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.633 6.750 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.933 8.641 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.059 7.231 -8.625 1.00 0.00 H new ATOM 1601 N LEU A 108 16.243 8.839 -0.909 1.00 0.00 N ATOM 1602 CA LEU A 108 14.936 9.468 -0.755 1.00 0.00 C ATOM 1603 C LEU A 108 14.258 9.602 -2.113 1.00 0.00 C ATOM 1604 O LEU A 108 14.800 10.222 -3.025 1.00 0.00 O ATOM 1605 CB LEU A 108 15.069 10.845 -0.086 1.00 0.00 C ATOM 1606 CG LEU A 108 16.505 11.335 0.142 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.520 12.819 0.470 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.173 10.535 1.252 1.00 0.00 C ATOM 0 HA LEU A 108 14.322 8.836 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.547 11.579 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.558 10.812 0.876 1.00 0.00 H new ATOM 0 HG LEU A 108 17.068 11.183 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.548 13.146 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.084 13.379 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.939 12.998 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.191 10.897 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.608 10.654 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.199 9.481 0.976 1.00 0.00 H new ATOM 1620 N ASP A 109 13.079 9.005 -2.252 1.00 0.00 N ATOM 1621 CA ASP A 109 12.351 9.058 -3.515 1.00 0.00 C ATOM 1622 C ASP A 109 10.873 9.368 -3.302 1.00 0.00 C ATOM 1623 O ASP A 109 10.334 9.175 -2.211 1.00 0.00 O ATOM 1624 CB ASP A 109 12.499 7.729 -4.261 1.00 0.00 C ATOM 1625 CG ASP A 109 11.850 6.573 -3.525 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.623 6.627 -3.300 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.569 5.614 -3.173 1.00 0.00 O ATOM 0 H ASP A 109 12.610 8.483 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 109 12.780 9.864 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.053 7.821 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.558 7.514 -4.407 1.00 0.00 H new ATOM 1632 N ILE A 110 10.223 9.837 -4.362 1.00 0.00 N ATOM 1633 CA ILE A 110 8.805 10.165 -4.315 1.00 0.00 C ATOM 1634 C ILE A 110 8.018 9.236 -5.236 1.00 0.00 C ATOM 1635 O ILE A 110 8.513 8.842 -6.294 1.00 0.00 O ATOM 1636 CB ILE A 110 8.549 11.632 -4.725 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.859 11.844 -6.210 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.381 12.575 -3.865 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.657 12.276 -7.021 1.00 0.00 C ATOM 0 H ILE A 110 10.660 9.999 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 110 8.471 10.033 -3.286 1.00 0.00 H new ATOM 0 HB ILE A 110 7.494 11.854 -4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.642 12.596 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.255 10.918 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.190 13.605 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.110 12.446 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.439 12.349 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.949 12.408 -8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.881 11.514 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.274 13.219 -6.630 1.00 0.00 H new ATOM 1651 N TYR A 111 6.802 8.877 -4.832 1.00 0.00 N ATOM 1652 CA TYR A 111 5.978 7.983 -5.635 1.00 0.00 C ATOM 1653 C TYR A 111 4.508 8.384 -5.588 1.00 0.00 C ATOM 1654 O TYR A 111 3.993 8.785 -4.544 1.00 0.00 O ATOM 1655 CB TYR A 111 6.138 6.542 -5.151 1.00 0.00 C ATOM 1656 CG TYR A 111 7.210 5.769 -5.888 1.00 0.00 C ATOM 1657 CD1 TYR A 111 6.947 5.180 -7.119 1.00 0.00 C ATOM 1658 CD2 TYR A 111 8.483 5.629 -5.352 1.00 0.00 C ATOM 1659 CE1 TYR A 111 7.924 4.474 -7.795 1.00 0.00 C ATOM 1660 CE2 TYR A 111 9.466 4.925 -6.023 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.181 4.349 -7.242 1.00 0.00 C ATOM 1662 OH TYR A 111 10.156 3.646 -7.912 1.00 0.00 O ATOM 0 H TYR A 111 6.370 9.189 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 111 6.316 8.059 -6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.374 6.549 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.186 6.023 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.963 5.276 -7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.709 6.077 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.704 4.023 -8.751 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.452 4.827 -5.594 1.00 0.00 H new ATOM 0 HH TYR A 111 10.984 3.654 -7.387 1.00 0.00 H new ATOM 1672 N THR A 112 3.838 8.254 -6.728 1.00 0.00 N ATOM 1673 CA THR A 112 2.423 8.585 -6.831 1.00 0.00 C ATOM 1674 C THR A 112 1.691 7.521 -7.642 1.00 0.00 C ATOM 1675 O THR A 112 2.098 7.192 -8.758 1.00 0.00 O ATOM 1676 CB THR A 112 2.240 9.959 -7.478 1.00 0.00 C ATOM 1677 OG1 THR A 112 0.867 10.306 -7.540 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.796 10.040 -8.882 1.00 0.00 C ATOM 0 H THR A 112 4.255 7.920 -7.597 1.00 0.00 H new ATOM 0 HA THR A 112 2.001 8.615 -5.827 1.00 0.00 H new ATOM 0 HB THR A 112 2.795 10.651 -6.845 1.00 0.00 H new ATOM 0 HG1 THR A 112 0.771 11.188 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.633 11.041 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.865 9.827 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.292 9.310 -9.516 1.00 0.00 H new ATOM 1686 N ARG A 113 0.620 6.974 -7.074 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.149 5.936 -7.753 1.00 0.00 C ATOM 1688 C ARG A 113 -1.557 6.415 -8.093 1.00 0.00 C ATOM 1689 O ARG A 113 -2.260 6.965 -7.245 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.222 4.678 -6.886 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.480 4.961 -5.414 1.00 0.00 C ATOM 1692 CD ARG A 113 0.795 4.853 -4.593 1.00 0.00 C ATOM 1693 NE ARG A 113 0.933 5.958 -3.650 1.00 0.00 N ATOM 1694 CZ ARG A 113 2.083 6.304 -3.077 1.00 0.00 C ATOM 1695 NH1 ARG A 113 3.196 5.633 -3.348 1.00 0.00 N ATOM 1696 NH2 ARG A 113 2.122 7.324 -2.229 1.00 0.00 N ATOM 0 H ARG A 113 0.267 7.230 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 113 0.363 5.702 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.013 4.031 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.714 4.127 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.902 5.960 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.220 4.258 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.796 3.909 -4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.656 4.837 -5.261 1.00 0.00 H new ATOM 0 HE ARG A 113 0.099 6.497 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.172 4.848 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.075 5.903 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.270 7.843 -2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.004 7.589 -1.790 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.960 6.191 -9.341 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.287 6.586 -9.805 1.00 0.00 C ATOM 1712 C LEU A 114 -3.996 5.404 -10.463 1.00 0.00 C ATOM 1713 O LEU A 114 -3.483 4.813 -11.412 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.177 7.752 -10.795 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.492 8.170 -11.461 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.510 9.670 -11.717 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.696 7.406 -12.763 1.00 0.00 C ATOM 0 H LEU A 114 -1.385 5.737 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.873 6.908 -8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.764 8.614 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.464 7.480 -11.574 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.311 7.927 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.452 9.947 -12.190 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.409 10.202 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.682 9.937 -12.373 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.635 7.715 -13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.871 7.619 -13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.728 6.336 -12.556 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.174 5.060 -9.948 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.925 3.945 -10.500 1.00 0.00 C ATOM 1731 C GLY A 115 -7.281 3.775 -9.846 1.00 0.00 C ATOM 1732 O GLY A 115 -8.003 4.751 -9.640 1.00 0.00 O ATOM 0 H GLY A 115 -5.620 5.531 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.059 4.097 -11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.349 3.028 -10.377 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.636 2.533 -9.521 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.918 2.275 -8.894 1.00 0.00 C ATOM 1738 C GLY A 116 -8.840 1.228 -7.802 1.00 0.00 C ATOM 1739 O GLY A 116 -7.884 0.454 -7.738 1.00 0.00 O ATOM 0 H GLY A 116 -7.060 1.706 -9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.304 3.203 -8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.629 1.949 -9.653 1.00 0.00 H new ATOM 1743 N MET A 117 -9.853 1.205 -6.942 1.00 0.00 N ATOM 1744 CA MET A 117 -9.908 0.247 -5.844 1.00 0.00 C ATOM 1745 C MET A 117 -11.168 -0.605 -5.935 1.00 0.00 C ATOM 1746 O MET A 117 -12.249 -0.099 -6.239 1.00 0.00 O ATOM 1747 CB MET A 117 -9.865 0.977 -4.500 1.00 0.00 C ATOM 1748 CG MET A 117 -11.053 1.900 -4.271 1.00 0.00 C ATOM 1749 SD MET A 117 -11.848 1.633 -2.674 1.00 0.00 S ATOM 1750 CE MET A 117 -10.455 1.835 -1.566 1.00 0.00 C ATOM 0 H MET A 117 -10.649 1.841 -6.985 1.00 0.00 H new ATOM 0 HA MET A 117 -9.040 -0.408 -5.919 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.827 0.241 -3.697 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.946 1.560 -4.442 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.721 2.936 -4.338 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.784 1.748 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.813 2.140 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.919 0.890 -1.479 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.784 2.598 -1.961 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.021 -1.900 -5.669 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.149 -2.824 -5.721 1.00 0.00 C ATOM 1762 C VAL A 118 -12.227 -3.658 -4.445 1.00 0.00 C ATOM 1763 O VAL A 118 -11.217 -4.174 -3.967 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.056 -3.775 -6.935 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.443 -4.232 -7.358 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.334 -3.107 -8.100 1.00 0.00 C ATOM 0 H VAL A 118 -10.133 -2.333 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.048 -2.216 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.477 -4.649 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.360 -4.901 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.921 -4.758 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.044 -3.365 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.283 -3.799 -8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.878 -2.211 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.325 -2.833 -7.793 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.432 -3.784 -3.900 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.641 -4.555 -2.679 1.00 0.00 C ATOM 1778 C TRP A 119 -14.915 -5.390 -2.776 1.00 0.00 C ATOM 1779 O TRP A 119 -15.971 -4.887 -3.159 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.721 -3.618 -1.471 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.015 -4.143 -0.257 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.857 -5.452 0.098 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -12.375 -3.368 0.763 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -12.156 -5.539 1.277 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -11.849 -4.273 1.704 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -12.194 -1.998 0.971 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -11.155 -3.852 2.836 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -11.504 -1.581 2.095 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -10.993 -2.506 3.015 1.00 0.00 C ATOM 0 H TRP A 119 -14.278 -3.363 -4.283 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.795 -5.230 -2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.293 -2.653 -1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.769 -3.444 -1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.228 -6.295 -0.465 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -11.905 -6.404 1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -12.586 -1.278 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -10.759 -4.563 3.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -11.357 -0.525 2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -10.460 -2.148 3.884 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.403 -0.389 -5.556 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.405 -0.020 -6.553 1.00 0.00 C ATOM 2093 C VAL A 141 -15.388 1.490 -6.777 1.00 0.00 C ATOM 2094 O VAL A 141 -16.429 2.099 -7.025 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.664 -0.731 -7.896 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.014 -0.322 -8.469 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.544 -0.438 -8.885 1.00 0.00 C ATOM 0 HA VAL A 141 -14.436 -0.337 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.684 -1.806 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.177 -0.835 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.804 -0.593 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.029 0.756 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.747 -0.949 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.486 0.636 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.597 -0.791 -8.477 1.00 0.00 H new ATOM 2107 N SER A 142 -14.203 2.088 -6.689 1.00 0.00 N ATOM 2108 CA SER A 142 -14.067 3.529 -6.884 1.00 0.00 C ATOM 2109 C SER A 142 -12.642 3.903 -7.293 1.00 0.00 C ATOM 2110 O SER A 142 -11.675 3.295 -6.834 1.00 0.00 O ATOM 2111 CB SER A 142 -14.453 4.274 -5.605 1.00 0.00 C ATOM 2112 OG SER A 142 -15.827 4.621 -5.611 1.00 0.00 O ATOM 0 H SER A 142 -13.329 1.602 -6.486 1.00 0.00 H new ATOM 0 HA SER A 142 -14.740 3.822 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.236 3.650 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.848 5.175 -5.509 1.00 0.00 H new ATOM 0 HG SER A 142 -16.341 3.915 -6.056 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.496 4.922 -8.162 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.188 5.383 -8.629 1.00 0.00 C ATOM 2120 C PRO A 143 -10.510 6.304 -7.620 1.00 0.00 C ATOM 2121 O PRO A 143 -11.162 7.144 -7.000 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.534 6.148 -9.903 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.895 6.700 -9.647 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.598 5.706 -8.756 1.00 0.00 C ATOM 0 HA PRO A 143 -10.486 4.563 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.813 6.942 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.529 5.492 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.834 7.677 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.440 6.838 -10.581 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.191 6.205 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.279 5.072 -9.324 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.198 6.144 -7.455 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.447 6.968 -6.514 1.00 0.00 C ATOM 2134 C VAL A 144 -6.967 7.022 -6.876 1.00 0.00 C ATOM 2135 O VAL A 144 -6.470 6.193 -7.639 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.586 6.444 -5.072 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -10.023 6.568 -4.592 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -8.106 5.004 -4.979 1.00 0.00 C ATOM 0 H VAL A 144 -8.638 5.456 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.869 7.971 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.959 7.054 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -10.099 6.192 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.326 7.615 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.675 5.986 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.212 4.651 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.703 4.378 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.058 4.950 -5.275 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.267 8.004 -6.316 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.841 8.174 -6.565 1.00 0.00 C ATOM 2150 C PHE A 145 -4.128 8.622 -5.294 1.00 0.00 C ATOM 2151 O PHE A 145 -4.457 9.659 -4.721 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.613 9.194 -7.682 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.365 10.479 -7.484 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -6.740 10.526 -7.650 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.696 11.639 -7.131 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.435 11.707 -7.468 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.385 12.825 -6.949 1.00 0.00 C ATOM 2158 CZ PHE A 145 -6.755 12.858 -7.116 1.00 0.00 C ATOM 0 H PHE A 145 -6.668 8.697 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.430 7.214 -6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.547 9.413 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -4.910 8.752 -8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.275 9.629 -7.925 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.625 11.618 -6.996 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.507 11.730 -7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.852 13.724 -6.677 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.295 13.782 -6.972 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.156 7.830 -4.852 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.407 8.148 -3.641 1.00 0.00 C ATOM 2170 C ALA A 146 -1.006 8.647 -3.969 1.00 0.00 C ATOM 2171 O ALA A 146 -0.351 8.142 -4.880 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.336 6.931 -2.733 1.00 0.00 C ATOM 0 H ALA A 146 -2.869 6.966 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.933 8.949 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.775 7.181 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.345 6.623 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.838 6.115 -3.256 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.549 9.640 -3.212 1.00 0.00 N ATOM 2179 CA GLY A 147 0.777 10.190 -3.426 1.00 0.00 C ATOM 2180 C GLY A 147 1.549 10.329 -2.131 1.00 0.00 C ATOM 2181 O GLY A 147 1.008 10.794 -1.128 1.00 0.00 O ATOM 0 H GLY A 147 -1.074 10.074 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.330 9.547 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.692 11.166 -3.904 1.00 0.00 H new ATOM 2185 N GLY A 148 2.815 9.920 -2.144 1.00 0.00 N ATOM 2186 CA GLY A 148 3.625 10.010 -0.945 1.00 0.00 C ATOM 2187 C GLY A 148 5.110 9.978 -1.234 1.00 0.00 C ATOM 2188 O GLY A 148 5.529 10.032 -2.391 1.00 0.00 O ATOM 0 H GLY A 148 3.290 9.531 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.382 10.932 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.372 9.185 -0.279 1.00 0.00 H new ATOM 2192 N VAL A 149 5.908 9.890 -0.176 1.00 0.00 N ATOM 2193 CA VAL A 149 7.359 9.852 -0.314 1.00 0.00 C ATOM 2194 C VAL A 149 7.959 8.711 0.500 1.00 0.00 C ATOM 2195 O VAL A 149 7.402 8.308 1.523 1.00 0.00 O ATOM 2196 CB VAL A 149 8.002 11.181 0.127 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.797 12.251 -0.936 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.435 11.632 1.466 1.00 0.00 C ATOM 0 H VAL A 149 5.575 9.844 0.787 1.00 0.00 H new ATOM 0 HA VAL A 149 7.572 9.690 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 149 9.074 11.023 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.257 13.183 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.257 11.928 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.730 12.409 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 149 7.901 12.572 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.358 11.774 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.639 10.873 2.222 1.00 0.00 H new ATOM 2208 N GLU A 150 9.091 8.191 0.038 1.00 0.00 N ATOM 2209 CA GLU A 150 9.760 7.089 0.723 1.00 0.00 C ATOM 2210 C GLU A 150 11.190 7.465 1.107 1.00 0.00 C ATOM 2211 O GLU A 150 11.936 8.016 0.297 1.00 0.00 O ATOM 2212 CB GLU A 150 9.771 5.842 -0.163 1.00 0.00 C ATOM 2213 CG GLU A 150 10.243 4.588 0.554 1.00 0.00 C ATOM 2214 CD GLU A 150 11.206 3.766 -0.278 1.00 0.00 C ATOM 2215 OE1 GLU A 150 12.190 4.341 -0.790 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.976 2.547 -0.421 1.00 0.00 O ATOM 0 H GLU A 150 9.564 8.513 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 150 9.204 6.876 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.766 5.673 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.416 6.023 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.726 4.870 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.379 3.976 0.813 1.00 0.00 H new ATOM 2223 N TRP A 151 11.561 7.156 2.346 1.00 0.00 N ATOM 2224 CA TRP A 151 12.900 7.452 2.844 1.00 0.00 C ATOM 2225 C TRP A 151 13.596 6.176 3.307 1.00 0.00 C ATOM 2226 O TRP A 151 13.095 5.465 4.177 1.00 0.00 O ATOM 2227 CB TRP A 151 12.826 8.453 3.998 1.00 0.00 C ATOM 2228 CG TRP A 151 12.673 9.874 3.546 1.00 0.00 C ATOM 2229 CD1 TRP A 151 11.779 10.352 2.630 1.00 0.00 C ATOM 2230 CD2 TRP A 151 13.437 11.002 3.988 1.00 0.00 C ATOM 2231 NE1 TRP A 151 11.942 11.707 2.476 1.00 0.00 N ATOM 2232 CE2 TRP A 151 12.953 12.130 3.299 1.00 0.00 C ATOM 2233 CE3 TRP A 151 14.484 11.167 4.900 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 13.478 13.405 3.495 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 15.004 12.433 5.093 1.00 0.00 C ATOM 2236 CH2 TRP A 151 14.501 13.538 4.394 1.00 0.00 C ATOM 0 H TRP A 151 10.951 6.700 3.025 1.00 0.00 H new ATOM 0 HA TRP A 151 13.479 7.889 2.030 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.986 8.192 4.642 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.729 8.367 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 151 11.051 9.752 2.104 1.00 0.00 H new ATOM 0 HE1 TRP A 151 11.399 12.302 1.851 1.00 0.00 H new ATOM 0 HE3 TRP A 151 14.879 10.321 5.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 13.092 14.258 2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 15.813 12.573 5.795 1.00 0.00 H new ATOM 0 HH2 TRP A 151 14.929 14.514 4.568 1.00 0.00 H new ATOM 2247 N ALA A 152 14.752 5.889 2.717 1.00 0.00 N ATOM 2248 CA ALA A 152 15.516 4.697 3.066 1.00 0.00 C ATOM 2249 C ALA A 152 16.293 4.894 4.363 1.00 0.00 C ATOM 2250 O ALA A 152 16.901 5.942 4.581 1.00 0.00 O ATOM 2251 CB ALA A 152 16.459 4.325 1.932 1.00 0.00 C ATOM 0 H ALA A 152 15.181 6.467 1.994 1.00 0.00 H new ATOM 0 HA ALA A 152 14.811 3.880 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.023 3.433 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.882 4.126 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.149 5.149 1.747 1.00 0.00 H new ATOM 2257 N VAL A 153 16.272 3.875 5.216 1.00 0.00 N ATOM 2258 CA VAL A 153 16.978 3.930 6.491 1.00 0.00 C ATOM 2259 C VAL A 153 18.289 3.149 6.416 1.00 0.00 C ATOM 2260 O VAL A 153 19.260 3.483 7.094 1.00 0.00 O ATOM 2261 CB VAL A 153 16.110 3.370 7.639 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.910 3.274 8.932 1.00 0.00 C ATOM 2263 CG2 VAL A 153 14.872 4.231 7.838 1.00 0.00 C ATOM 0 H VAL A 153 15.774 3.001 5.047 1.00 0.00 H new ATOM 0 HA VAL A 153 17.194 4.978 6.698 1.00 0.00 H new ATOM 0 HB VAL A 153 15.792 2.364 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.275 2.877 9.724 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.763 2.611 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.265 4.265 9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.271 3.822 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.173 5.249 8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.283 4.239 6.921 1.00 0.00 H new ATOM 2323 N ILE A 157 15.468 -1.778 3.264 1.00 0.00 N ATOM 2324 CA ILE A 157 14.222 -1.465 3.953 1.00 0.00 C ATOM 2325 C ILE A 157 14.046 0.041 4.119 1.00 0.00 C ATOM 2326 O ILE A 157 14.897 0.715 4.699 1.00 0.00 O ATOM 2327 CB ILE A 157 14.165 -2.135 5.342 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.472 -3.630 5.225 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.801 -1.920 5.981 1.00 0.00 C ATOM 2330 CD1 ILE A 157 15.327 -4.162 6.354 1.00 0.00 C ATOM 0 HA ILE A 157 13.413 -1.855 3.335 1.00 0.00 H new ATOM 0 HB ILE A 157 14.920 -1.675 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.534 -4.184 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 157 14.979 -3.815 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.778 -2.399 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.617 -0.852 6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.029 -2.355 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.504 -5.227 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 157 16.281 -3.634 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.813 -4.009 7.303 1.00 0.00 H new ATOM 2342 N ALA A 158 12.938 0.563 3.603 1.00 0.00 N ATOM 2343 CA ALA A 158 12.652 1.988 3.692 1.00 0.00 C ATOM 2344 C ALA A 158 11.222 2.240 4.161 1.00 0.00 C ATOM 2345 O ALA A 158 10.369 1.356 4.091 1.00 0.00 O ATOM 2346 CB ALA A 158 12.888 2.655 2.344 1.00 0.00 C ATOM 0 H ALA A 158 12.224 0.019 3.119 1.00 0.00 H new ATOM 0 HA ALA A 158 13.328 2.421 4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.671 3.720 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.928 2.517 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.234 2.206 1.596 1.00 0.00 H new ATOM 2352 N THR A 159 10.971 3.457 4.631 1.00 0.00 N ATOM 2353 CA THR A 159 9.647 3.844 5.106 1.00 0.00 C ATOM 2354 C THR A 159 9.099 4.978 4.251 1.00 0.00 C ATOM 2355 O THR A 159 9.852 5.842 3.802 1.00 0.00 O ATOM 2356 CB THR A 159 9.710 4.272 6.573 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.420 4.609 7.053 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.614 5.462 6.810 1.00 0.00 C ATOM 0 H THR A 159 11.671 4.196 4.693 1.00 0.00 H new ATOM 0 HA THR A 159 8.981 2.985 5.025 1.00 0.00 H new ATOM 0 HB THR A 159 10.118 3.414 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 159 7.741 4.136 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.614 5.714 7.871 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.628 5.217 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.252 6.314 6.235 1.00 0.00 H new ATOM 2366 N ARG A 160 7.794 4.972 4.011 1.00 0.00 N ATOM 2367 CA ARG A 160 7.178 6.005 3.190 1.00 0.00 C ATOM 2368 C ARG A 160 5.864 6.505 3.784 1.00 0.00 C ATOM 2369 O ARG A 160 5.148 5.766 4.464 1.00 0.00 O ATOM 2370 CB ARG A 160 6.937 5.478 1.775 1.00 0.00 C ATOM 2371 CG ARG A 160 5.966 4.309 1.721 1.00 0.00 C ATOM 2372 CD ARG A 160 6.329 3.331 0.615 1.00 0.00 C ATOM 2373 NE ARG A 160 5.409 3.420 -0.517 1.00 0.00 N ATOM 2374 CZ ARG A 160 5.268 2.466 -1.434 1.00 0.00 C ATOM 2375 NH1 ARG A 160 5.985 1.350 -1.358 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.408 2.628 -2.431 1.00 0.00 N ATOM 0 H ARG A 160 7.147 4.270 4.370 1.00 0.00 H new ATOM 0 HA ARG A 160 7.869 6.848 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.553 6.288 1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.889 5.170 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.966 3.791 2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.955 4.682 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.345 3.530 0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.320 2.316 1.011 1.00 0.00 H new ATOM 0 HE ARG A 160 4.842 4.263 -0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.648 1.221 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.872 0.622 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.856 3.483 -2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.299 1.897 -3.134 1.00 0.00 H new ATOM 2390 N LEU A 161 5.556 7.766 3.497 1.00 0.00 N ATOM 2391 CA LEU A 161 4.327 8.393 3.967 1.00 0.00 C ATOM 2392 C LEU A 161 3.432 8.720 2.776 1.00 0.00 C ATOM 2393 O LEU A 161 3.857 9.409 1.846 1.00 0.00 O ATOM 2394 CB LEU A 161 4.643 9.667 4.756 1.00 0.00 C ATOM 2395 CG LEU A 161 3.662 9.996 5.883 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.141 11.207 6.672 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.268 10.238 5.322 1.00 0.00 C ATOM 0 H LEU A 161 6.148 8.378 2.935 1.00 0.00 H new ATOM 0 HA LEU A 161 3.807 7.700 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.642 9.573 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.670 10.507 4.062 1.00 0.00 H new ATOM 0 HG LEU A 161 3.616 9.143 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.431 11.426 7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.119 10.996 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.217 12.068 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.583 10.471 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.297 11.074 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 161 1.924 9.343 4.803 1.00 0.00 H new ATOM 2409 N GLU A 162 2.204 8.210 2.800 1.00 0.00 N ATOM 2410 CA GLU A 162 1.266 8.438 1.707 1.00 0.00 C ATOM 2411 C GLU A 162 0.156 9.402 2.113 1.00 0.00 C ATOM 2412 O GLU A 162 -0.366 9.335 3.226 1.00 0.00 O ATOM 2413 CB GLU A 162 0.658 7.111 1.249 1.00 0.00 C ATOM 2414 CG GLU A 162 1.696 6.070 0.862 1.00 0.00 C ATOM 2415 CD GLU A 162 1.129 4.664 0.834 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.080 4.518 0.554 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.894 3.711 1.091 1.00 0.00 O ATOM 0 H GLU A 162 1.837 7.639 3.561 1.00 0.00 H new ATOM 0 HA GLU A 162 1.820 8.888 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.034 6.711 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.004 7.295 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 162 2.101 6.314 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.526 6.109 1.568 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.203 10.292 1.193 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.257 11.269 1.439 1.00 0.00 C ATOM 2426 C TYR A 163 -2.213 11.343 0.251 1.00 0.00 C ATOM 2427 O TYR A 163 -1.870 10.934 -0.861 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.654 12.649 1.713 1.00 0.00 C ATOM 2429 CG TYR A 163 0.328 13.103 0.657 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -0.104 13.779 -0.477 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.689 12.858 0.796 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.791 14.197 -1.444 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.590 13.273 -0.166 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.136 13.941 -1.283 1.00 0.00 C ATOM 2435 OH TYR A 163 3.031 14.355 -2.242 1.00 0.00 O ATOM 0 H TYR A 163 0.222 10.356 0.268 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.818 10.949 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.459 13.380 1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.152 12.631 2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.157 13.981 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.048 12.335 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.439 14.721 -2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.645 13.075 -0.043 1.00 0.00 H new ATOM 0 HH TYR A 163 3.938 14.097 -1.976 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.411 11.865 0.493 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.419 11.990 -0.556 1.00 0.00 C ATOM 2447 C GLN A 164 -3.898 12.828 -1.720 1.00 0.00 C ATOM 2448 O GLN A 164 -3.990 12.423 -2.879 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.698 12.613 0.007 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.455 13.824 0.894 1.00 0.00 C ATOM 2451 CD GLN A 164 -5.948 15.115 0.270 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -5.622 15.429 -0.874 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -6.738 15.872 1.024 1.00 0.00 N ATOM 0 H GLN A 164 -3.708 12.209 1.406 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.644 10.990 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -6.343 12.905 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.237 11.858 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -5.954 13.674 1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -4.388 13.909 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -6.983 15.572 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.100 16.753 0.659 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.283 9.933 4.890 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.861 9.941 5.209 1.00 0.00 C ATOM 2726 C LEU A 184 -2.491 8.722 6.046 1.00 0.00 C ATOM 2727 O LEU A 184 -3.103 8.462 7.083 1.00 0.00 O ATOM 2728 CB LEU A 184 -2.493 11.222 5.960 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.504 12.495 5.111 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.914 13.056 5.009 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.557 13.533 5.698 1.00 0.00 C ATOM 0 HA LEU A 184 -2.301 9.904 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -3.188 11.351 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -1.500 11.100 6.392 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.161 12.244 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.902 13.961 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.567 12.316 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -4.284 13.293 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.576 14.432 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.871 13.780 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.544 13.130 5.720 1.00 0.00 H new ATOM 2743 N SER A 185 -1.493 7.972 5.589 1.00 0.00 N ATOM 2744 CA SER A 185 -1.055 6.778 6.301 1.00 0.00 C ATOM 2745 C SER A 185 0.461 6.616 6.234 1.00 0.00 C ATOM 2746 O SER A 185 1.119 7.164 5.349 1.00 0.00 O ATOM 2747 CB SER A 185 -1.735 5.537 5.718 1.00 0.00 C ATOM 2748 OG SER A 185 -1.675 5.540 4.303 1.00 0.00 O ATOM 0 H SER A 185 -0.975 8.169 4.733 1.00 0.00 H new ATOM 0 HA SER A 185 -1.340 6.890 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.252 4.639 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 185 -2.776 5.503 6.041 1.00 0.00 H new ATOM 0 HG SER A 185 -2.584 5.532 3.937 1.00 0.00 H new ATOM 2754 N LEU A 186 1.004 5.849 7.175 1.00 0.00 N ATOM 2755 CA LEU A 186 2.442 5.598 7.228 1.00 0.00 C ATOM 2756 C LEU A 186 2.724 4.112 7.045 1.00 0.00 C ATOM 2757 O LEU A 186 2.059 3.271 7.649 1.00 0.00 O ATOM 2758 CB LEU A 186 3.028 6.078 8.562 1.00 0.00 C ATOM 2759 CG LEU A 186 2.276 7.228 9.240 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.396 6.703 10.364 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.253 8.269 9.769 1.00 0.00 C ATOM 0 H LEU A 186 0.470 5.390 7.912 1.00 0.00 H new ATOM 0 HA LEU A 186 2.915 6.154 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.059 5.233 9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.059 6.391 8.394 1.00 0.00 H new ATOM 0 HG LEU A 186 1.636 7.704 8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.870 7.535 10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.671 5.997 9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.016 6.200 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.700 9.078 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.920 7.806 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.840 8.670 8.943 1.00 0.00 H new ATOM 2773 N GLY A 187 3.703 3.788 6.207 1.00 0.00 N ATOM 2774 CA GLY A 187 4.027 2.392 5.974 1.00 0.00 C ATOM 2775 C GLY A 187 5.489 2.159 5.654 1.00 0.00 C ATOM 2776 O GLY A 187 6.255 3.105 5.469 1.00 0.00 O ATOM 0 H GLY A 187 4.272 4.458 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.759 1.812 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.418 2.018 5.151 1.00 0.00 H new ATOM 2780 N VAL A 188 5.868 0.887 5.583 1.00 0.00 N ATOM 2781 CA VAL A 188 7.241 0.506 5.274 1.00 0.00 C ATOM 2782 C VAL A 188 7.269 -0.488 4.120 1.00 0.00 C ATOM 2783 O VAL A 188 6.409 -1.363 4.024 1.00 0.00 O ATOM 2784 CB VAL A 188 7.956 -0.112 6.497 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.589 0.975 7.351 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.994 -0.955 7.324 1.00 0.00 C ATOM 0 H VAL A 188 5.239 0.099 5.736 1.00 0.00 H new ATOM 0 HA VAL A 188 7.771 1.416 4.991 1.00 0.00 H new ATOM 0 HB VAL A 188 8.747 -0.767 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.088 0.521 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.318 1.526 6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.816 1.658 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.523 -1.378 8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.174 -0.330 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.595 -1.761 6.708 1.00 0.00 H new ATOM 2796 N SER A 189 8.254 -0.348 3.238 1.00 0.00 N ATOM 2797 CA SER A 189 8.371 -1.236 2.088 1.00 0.00 C ATOM 2798 C SER A 189 9.825 -1.613 1.826 1.00 0.00 C ATOM 2799 O SER A 189 10.742 -1.064 2.437 1.00 0.00 O ATOM 2800 CB SER A 189 7.774 -0.573 0.846 1.00 0.00 C ATOM 2801 OG SER A 189 8.326 0.716 0.639 1.00 0.00 O ATOM 0 H SER A 189 8.978 0.368 3.297 1.00 0.00 H new ATOM 0 HA SER A 189 7.817 -2.148 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.961 -1.197 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.692 -0.495 0.956 1.00 0.00 H new ATOM 0 HG SER A 189 8.629 0.797 -0.289 1.00 0.00 H new ATOM 2807 N TYR A 190 10.023 -2.555 0.912 1.00 0.00 N ATOM 2808 CA TYR A 190 11.360 -3.014 0.560 1.00 0.00 C ATOM 2809 C TYR A 190 11.421 -3.429 -0.907 1.00 0.00 C ATOM 2810 O TYR A 190 10.399 -3.749 -1.515 1.00 0.00 O ATOM 2811 CB TYR A 190 11.770 -4.188 1.452 1.00 0.00 C ATOM 2812 CG TYR A 190 10.691 -5.237 1.606 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.544 -6.251 0.669 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.822 -5.212 2.689 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.559 -7.211 0.806 1.00 0.00 C ATOM 2816 CE2 TYR A 190 8.836 -6.169 2.834 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.708 -7.166 1.890 1.00 0.00 C ATOM 2818 OH TYR A 190 7.727 -8.121 2.031 1.00 0.00 O ATOM 0 H TYR A 190 9.272 -3.017 0.400 1.00 0.00 H new ATOM 0 HA TYR A 190 12.055 -2.189 0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.663 -4.655 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.039 -3.808 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.210 -6.290 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 190 9.918 -4.432 3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 190 9.456 -7.992 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.169 -6.136 3.683 1.00 0.00 H new ATOM 0 HH TYR A 190 7.215 -7.946 2.848 1.00 0.00 H new ATOM 2828 N ARG A 191 12.626 -3.420 -1.469 1.00 0.00 N ATOM 2829 CA ARG A 191 12.820 -3.795 -2.865 1.00 0.00 C ATOM 2830 C ARG A 191 13.179 -5.272 -2.988 1.00 0.00 C ATOM 2831 O ARG A 191 13.825 -5.840 -2.109 1.00 0.00 O ATOM 2832 CB ARG A 191 13.919 -2.937 -3.497 1.00 0.00 C ATOM 2833 CG ARG A 191 15.290 -3.146 -2.873 1.00 0.00 C ATOM 2834 CD ARG A 191 15.993 -4.359 -3.461 1.00 0.00 C ATOM 2835 NE ARG A 191 16.352 -5.336 -2.435 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.637 -6.609 -2.690 1.00 0.00 C ATOM 2837 NH1 ARG A 191 16.608 -7.067 -3.935 1.00 0.00 N ATOM 2838 NH2 ARG A 191 16.955 -7.429 -1.696 1.00 0.00 N ATOM 0 H ARG A 191 13.482 -3.157 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 191 11.883 -3.623 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.976 -3.161 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.645 -1.886 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 191 15.902 -2.258 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.185 -3.273 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 191 15.345 -4.831 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 191 16.893 -4.037 -3.986 1.00 0.00 H new ATOM 0 HE ARG A 191 16.386 -5.022 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 191 16.366 -6.441 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 191 16.828 -8.045 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.981 -7.082 -0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 191 17.174 -8.406 -1.891 1.00 0.00 H new