USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 61 GLN : amide:sc= 1.03 K(o=2.3,f=-11!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 149:sc= 0.752 (180deg=0) USER MOD Set 2.2: A 185 SER OG : rot -90:sc= -0.241 USER MOD Single : A 18 THR OG1 : rot -96:sc= 0.154 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -125:sc= -0.0317 (180deg=-0.559) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.714 K(o=0.71,f=-2.1!) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.559 F(o=-1.3,f=-0.56) USER MOD Single : A 97 THR OG1 : rot -150:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -104:sc= 0.93 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.193 -4.161 -12.118 1.00 0.00 N ATOM 276 CA THR A 18 12.386 -4.041 -10.678 1.00 0.00 C ATOM 277 C THR A 18 11.162 -4.548 -9.922 1.00 0.00 C ATOM 278 O THR A 18 10.181 -4.979 -10.526 1.00 0.00 O ATOM 279 CB THR A 18 12.670 -2.588 -10.300 1.00 0.00 C ATOM 280 OG1 THR A 18 12.787 -2.449 -8.895 1.00 0.00 O ATOM 281 CG2 THR A 18 11.598 -1.628 -10.768 1.00 0.00 C ATOM 0 HA THR A 18 13.243 -4.654 -10.398 1.00 0.00 H new ATOM 0 HB THR A 18 13.605 -2.336 -10.801 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.929 -2.158 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.861 -0.614 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.517 -1.675 -11.854 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.643 -1.903 -10.320 1.00 0.00 H new ATOM 289 N TRP A 19 11.226 -4.491 -8.595 1.00 0.00 N ATOM 290 CA TRP A 19 10.122 -4.944 -7.756 1.00 0.00 C ATOM 291 C TRP A 19 10.089 -4.180 -6.436 1.00 0.00 C ATOM 292 O TRP A 19 11.102 -4.068 -5.747 1.00 0.00 O ATOM 293 CB TRP A 19 10.242 -6.445 -7.489 1.00 0.00 C ATOM 294 CG TRP A 19 8.927 -7.163 -7.517 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.718 -6.675 -7.110 1.00 0.00 C ATOM 296 CD2 TRP A 19 8.688 -8.498 -7.975 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.742 -7.625 -7.287 1.00 0.00 N ATOM 298 CE2 TRP A 19 7.313 -8.753 -7.818 1.00 0.00 C ATOM 299 CE3 TRP A 19 9.503 -9.502 -8.504 1.00 0.00 C ATOM 300 CZ2 TRP A 19 6.737 -9.971 -8.171 1.00 0.00 C ATOM 301 CZ3 TRP A 19 8.930 -10.711 -8.853 1.00 0.00 C ATOM 302 CH2 TRP A 19 7.559 -10.936 -8.686 1.00 0.00 C ATOM 0 H TRP A 19 12.030 -4.136 -8.078 1.00 0.00 H new ATOM 0 HA TRP A 19 9.191 -4.749 -8.288 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.904 -6.887 -8.233 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.710 -6.597 -6.516 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.553 -5.686 -6.708 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.754 -7.510 -7.061 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.562 -9.337 -8.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 5.679 -10.147 -8.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.551 -11.495 -9.261 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.141 -11.891 -8.969 1.00 0.00 H new ATOM 313 N TYR A 20 8.917 -3.658 -6.090 1.00 0.00 N ATOM 314 CA TYR A 20 8.748 -2.908 -4.851 1.00 0.00 C ATOM 315 C TYR A 20 7.586 -3.466 -4.037 1.00 0.00 C ATOM 316 O TYR A 20 6.521 -3.758 -4.581 1.00 0.00 O ATOM 317 CB TYR A 20 8.508 -1.427 -5.155 1.00 0.00 C ATOM 318 CG TYR A 20 9.726 -0.714 -5.700 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.196 -0.981 -6.980 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.403 0.229 -4.936 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.307 -0.332 -7.482 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.515 0.883 -5.431 1.00 0.00 C ATOM 323 CZ TYR A 20 11.962 0.599 -6.704 1.00 0.00 C ATOM 324 OH TYR A 20 13.069 1.250 -7.201 1.00 0.00 O ATOM 0 H TYR A 20 8.069 -3.741 -6.651 1.00 0.00 H new ATOM 0 HA TYR A 20 9.662 -3.007 -4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.694 -1.340 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.182 -0.926 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.684 -1.708 -7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.054 0.454 -3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.661 -0.553 -8.478 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.031 1.612 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 20 13.411 1.874 -6.527 1.00 0.00 H new ATOM 334 N ALA A 21 7.796 -3.612 -2.732 1.00 0.00 N ATOM 335 CA ALA A 21 6.761 -4.139 -1.850 1.00 0.00 C ATOM 336 C ALA A 21 6.829 -3.497 -0.468 1.00 0.00 C ATOM 337 O ALA A 21 7.908 -3.170 0.023 1.00 0.00 O ATOM 338 CB ALA A 21 6.884 -5.651 -1.737 1.00 0.00 C ATOM 0 H ALA A 21 8.670 -3.374 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 21 5.792 -3.893 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.105 -6.031 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.773 -6.100 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.862 -5.907 -1.330 1.00 0.00 H new ATOM 344 N GLY A 22 5.666 -3.323 0.154 1.00 0.00 N ATOM 345 CA GLY A 22 5.614 -2.723 1.474 1.00 0.00 C ATOM 346 C GLY A 22 4.197 -2.579 1.992 1.00 0.00 C ATOM 347 O GLY A 22 3.234 -2.755 1.244 1.00 0.00 O ATOM 0 H GLY A 22 4.760 -3.587 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.191 -3.333 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.087 -1.741 1.442 1.00 0.00 H new ATOM 351 N GLY A 23 4.067 -2.257 3.276 1.00 0.00 N ATOM 352 CA GLY A 23 2.754 -2.093 3.872 1.00 0.00 C ATOM 353 C GLY A 23 2.624 -0.791 4.636 1.00 0.00 C ATOM 354 O GLY A 23 3.580 -0.336 5.269 1.00 0.00 O ATOM 0 H GLY A 23 4.848 -2.107 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.996 -2.129 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.557 -2.927 4.545 1.00 0.00 H new ATOM 358 N LYS A 24 1.440 -0.184 4.575 1.00 0.00 N ATOM 359 CA LYS A 24 1.196 1.077 5.265 1.00 0.00 C ATOM 360 C LYS A 24 -0.106 1.031 6.059 1.00 0.00 C ATOM 361 O LYS A 24 -1.074 0.386 5.656 1.00 0.00 O ATOM 362 CB LYS A 24 1.156 2.231 4.262 1.00 0.00 C ATOM 363 CG LYS A 24 0.244 1.973 3.073 1.00 0.00 C ATOM 364 CD LYS A 24 0.075 3.219 2.220 1.00 0.00 C ATOM 365 CE LYS A 24 -1.238 3.193 1.452 1.00 0.00 C ATOM 366 NZ LYS A 24 -2.299 3.978 2.140 1.00 0.00 N ATOM 0 H LYS A 24 0.639 -0.545 4.057 1.00 0.00 H new ATOM 0 HA LYS A 24 2.015 1.239 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.825 3.135 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.166 2.422 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.656 1.168 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.731 1.638 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.109 4.104 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.906 3.298 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.081 3.594 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.569 2.161 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.947 4.380 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.830 3.356 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.862 4.747 2.687 1.00 0.00 H new ATOM 380 N LEU A 25 -0.118 1.728 7.192 1.00 0.00 N ATOM 381 CA LEU A 25 -1.293 1.782 8.052 1.00 0.00 C ATOM 382 C LEU A 25 -1.761 3.224 8.229 1.00 0.00 C ATOM 383 O LEU A 25 -0.965 4.161 8.149 1.00 0.00 O ATOM 384 CB LEU A 25 -0.979 1.158 9.417 1.00 0.00 C ATOM 385 CG LEU A 25 -2.074 1.312 10.477 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.238 0.378 10.182 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.513 1.043 11.865 1.00 0.00 C ATOM 0 H LEU A 25 0.678 2.265 7.536 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.094 1.213 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.781 0.096 9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.061 1.605 9.799 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.441 2.338 10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.006 0.501 10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.657 0.616 9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.886 -0.654 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.305 1.157 12.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.119 0.027 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.713 1.752 12.078 1.00 0.00 H new ATOM 399 N GLY A 26 -3.059 3.392 8.467 1.00 0.00 N ATOM 400 CA GLY A 26 -3.612 4.722 8.650 1.00 0.00 C ATOM 401 C GLY A 26 -5.042 4.692 9.154 1.00 0.00 C ATOM 402 O GLY A 26 -5.516 3.664 9.634 1.00 0.00 O ATOM 0 H GLY A 26 -3.736 2.632 8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.993 5.275 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.575 5.261 7.703 1.00 0.00 H new ATOM 799 N GLY A 53 -7.184 1.342 9.593 1.00 0.00 N ATOM 800 CA GLY A 53 -7.038 0.211 8.694 1.00 0.00 C ATOM 801 C GLY A 53 -5.639 0.104 8.118 1.00 0.00 C ATOM 802 O GLY A 53 -4.888 1.080 8.109 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.278 -0.708 9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.757 0.303 7.880 1.00 0.00 H new ATOM 806 N ALA A 54 -5.290 -1.084 7.635 1.00 0.00 N ATOM 807 CA ALA A 54 -3.975 -1.317 7.054 1.00 0.00 C ATOM 808 C ALA A 54 -4.072 -1.538 5.549 1.00 0.00 C ATOM 809 O ALA A 54 -5.085 -2.027 5.047 1.00 0.00 O ATOM 810 CB ALA A 54 -3.305 -2.507 7.722 1.00 0.00 C ATOM 0 H ALA A 54 -5.901 -1.901 7.635 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.367 -0.429 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.323 -2.669 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.192 -2.310 8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.918 -3.397 7.580 1.00 0.00 H new ATOM 816 N GLY A 55 -3.013 -1.176 4.832 1.00 0.00 N ATOM 817 CA GLY A 55 -3.004 -1.343 3.391 1.00 0.00 C ATOM 818 C GLY A 55 -1.642 -1.743 2.860 1.00 0.00 C ATOM 819 O GLY A 55 -0.653 -1.043 3.077 1.00 0.00 O ATOM 0 H GLY A 55 -2.162 -0.771 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.736 -2.101 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.315 -0.411 2.919 1.00 0.00 H new ATOM 823 N ALA A 56 -1.590 -2.872 2.162 1.00 0.00 N ATOM 824 CA ALA A 56 -0.341 -3.365 1.595 1.00 0.00 C ATOM 825 C ALA A 56 -0.188 -2.918 0.146 1.00 0.00 C ATOM 826 O ALA A 56 -1.138 -2.982 -0.635 1.00 0.00 O ATOM 827 CB ALA A 56 -0.277 -4.881 1.694 1.00 0.00 C ATOM 0 H ALA A 56 -2.400 -3.464 1.975 1.00 0.00 H new ATOM 0 HA ALA A 56 0.484 -2.943 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.661 -5.234 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.334 -5.180 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.112 -5.317 1.146 1.00 0.00 H new ATOM 833 N PHE A 57 1.008 -2.463 -0.209 1.00 0.00 N ATOM 834 CA PHE A 57 1.275 -2.003 -1.568 1.00 0.00 C ATOM 835 C PHE A 57 2.466 -2.737 -2.175 1.00 0.00 C ATOM 836 O PHE A 57 3.545 -2.787 -1.585 1.00 0.00 O ATOM 837 CB PHE A 57 1.529 -0.494 -1.580 1.00 0.00 C ATOM 838 CG PHE A 57 2.601 -0.056 -0.624 1.00 0.00 C ATOM 839 CD1 PHE A 57 2.323 0.108 0.723 1.00 0.00 C ATOM 840 CD2 PHE A 57 3.887 0.195 -1.074 1.00 0.00 C ATOM 841 CE1 PHE A 57 3.306 0.513 1.604 1.00 0.00 C ATOM 842 CE2 PHE A 57 4.875 0.601 -0.197 1.00 0.00 C ATOM 843 CZ PHE A 57 4.585 0.761 1.144 1.00 0.00 C ATOM 0 H PHE A 57 1.807 -2.402 0.423 1.00 0.00 H new ATOM 0 HA PHE A 57 0.395 -2.221 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.807 -0.189 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.602 0.024 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.325 -0.083 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.120 0.072 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.075 0.636 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.874 0.793 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.356 1.079 1.831 1.00 0.00 H new ATOM 853 N GLY A 58 2.257 -3.300 -3.359 1.00 0.00 N ATOM 854 CA GLY A 58 3.315 -4.022 -4.040 1.00 0.00 C ATOM 855 C GLY A 58 3.149 -3.986 -5.546 1.00 0.00 C ATOM 856 O GLY A 58 2.101 -4.362 -6.068 1.00 0.00 O ATOM 0 H GLY A 58 1.370 -3.269 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.279 -3.591 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.323 -5.058 -3.701 1.00 0.00 H new ATOM 860 N GLY A 59 4.181 -3.529 -6.246 1.00 0.00 N ATOM 861 CA GLY A 59 4.111 -3.453 -7.694 1.00 0.00 C ATOM 862 C GLY A 59 5.456 -3.668 -8.358 1.00 0.00 C ATOM 863 O GLY A 59 6.435 -4.015 -7.698 1.00 0.00 O ATOM 0 H GLY A 59 5.061 -3.211 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.407 -4.201 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.719 -2.478 -7.984 1.00 0.00 H new ATOM 867 N TYR A 60 5.500 -3.462 -9.671 1.00 0.00 N ATOM 868 CA TYR A 60 6.732 -3.636 -10.431 1.00 0.00 C ATOM 869 C TYR A 60 6.756 -2.713 -11.645 1.00 0.00 C ATOM 870 O TYR A 60 5.709 -2.292 -12.140 1.00 0.00 O ATOM 871 CB TYR A 60 6.878 -5.091 -10.878 1.00 0.00 C ATOM 872 CG TYR A 60 5.649 -5.638 -11.569 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.423 -5.399 -12.918 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.715 -6.393 -10.872 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.302 -5.897 -13.553 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.591 -6.896 -11.499 1.00 0.00 C ATOM 877 CZ TYR A 60 3.389 -6.644 -12.840 1.00 0.00 C ATOM 878 OH TYR A 60 2.270 -7.141 -13.469 1.00 0.00 O ATOM 0 H TYR A 60 4.697 -3.175 -10.230 1.00 0.00 H new ATOM 0 HA TYR A 60 7.570 -3.377 -9.784 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.730 -5.171 -11.553 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.101 -5.709 -10.008 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.136 -4.814 -13.480 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.870 -6.591 -9.822 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.142 -5.702 -14.603 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.875 -7.483 -10.943 1.00 0.00 H new ATOM 0 HH TYR A 60 1.730 -7.646 -12.826 1.00 0.00 H new ATOM 888 N GLN A 61 7.957 -2.405 -12.122 1.00 0.00 N ATOM 889 CA GLN A 61 8.122 -1.535 -13.279 1.00 0.00 C ATOM 890 C GLN A 61 8.361 -2.354 -14.544 1.00 0.00 C ATOM 891 O GLN A 61 9.121 -3.322 -14.532 1.00 0.00 O ATOM 892 CB GLN A 61 9.288 -0.567 -13.053 1.00 0.00 C ATOM 893 CG GLN A 61 8.911 0.894 -13.240 1.00 0.00 C ATOM 894 CD GLN A 61 8.544 1.574 -11.936 1.00 0.00 C ATOM 895 OE1 GLN A 61 8.096 0.927 -10.989 1.00 0.00 O ATOM 896 NE2 GLN A 61 8.733 2.888 -11.880 1.00 0.00 N ATOM 0 H GLN A 61 8.832 -2.746 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 61 7.204 -0.962 -13.407 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.675 -0.707 -12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.095 -0.816 -13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.745 1.424 -13.700 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.070 0.963 -13.930 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.107 3.384 -12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.504 3.400 -11.028 1.00 0.00 H new ATOM 970 N LEU A 66 6.839 4.217 -16.056 1.00 0.00 N ATOM 971 CA LEU A 66 5.911 3.923 -14.969 1.00 0.00 C ATOM 972 C LEU A 66 5.733 2.419 -14.779 1.00 0.00 C ATOM 973 O LEU A 66 6.083 1.626 -15.653 1.00 0.00 O ATOM 974 CB LEU A 66 4.555 4.573 -15.247 1.00 0.00 C ATOM 975 CG LEU A 66 4.035 4.395 -16.678 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.664 3.734 -16.674 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.981 5.734 -17.398 1.00 0.00 C ATOM 0 HA LEU A 66 6.331 4.334 -14.051 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.821 4.159 -14.555 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.629 5.639 -15.033 1.00 0.00 H new ATOM 0 HG LEU A 66 4.726 3.744 -17.214 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.313 3.617 -17.699 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.734 2.755 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.962 4.356 -16.119 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.609 5.587 -18.412 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.314 6.409 -16.861 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.981 6.167 -17.437 1.00 0.00 H new ATOM 989 N GLY A 67 5.182 2.040 -13.631 1.00 0.00 N ATOM 990 CA GLY A 67 4.960 0.635 -13.340 1.00 0.00 C ATOM 991 C GLY A 67 3.573 0.376 -12.783 1.00 0.00 C ATOM 992 O GLY A 67 2.798 1.309 -12.571 1.00 0.00 O ATOM 0 H GLY A 67 4.885 2.681 -12.896 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.099 0.051 -14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.707 0.292 -12.624 1.00 0.00 H new ATOM 996 N PHE A 68 3.257 -0.893 -12.544 1.00 0.00 N ATOM 997 CA PHE A 68 1.954 -1.268 -12.008 1.00 0.00 C ATOM 998 C PHE A 68 2.037 -1.519 -10.505 1.00 0.00 C ATOM 999 O PHE A 68 2.954 -2.190 -10.031 1.00 0.00 O ATOM 1000 CB PHE A 68 1.429 -2.518 -12.715 1.00 0.00 C ATOM 1001 CG PHE A 68 0.796 -2.233 -14.049 1.00 0.00 C ATOM 1002 CD1 PHE A 68 1.548 -1.719 -15.092 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.552 -2.480 -14.256 1.00 0.00 C ATOM 1004 CE1 PHE A 68 0.967 -1.455 -16.318 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.137 -2.220 -15.480 1.00 0.00 C ATOM 1006 CZ PHE A 68 -0.376 -1.706 -16.513 1.00 0.00 C ATOM 0 H PHE A 68 3.885 -1.678 -12.713 1.00 0.00 H new ATOM 0 HA PHE A 68 1.265 -0.442 -12.184 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.252 -3.219 -12.855 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.698 -3.009 -12.073 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.600 -1.522 -14.946 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.151 -2.880 -13.452 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.564 -1.052 -17.123 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.188 -2.418 -15.630 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.831 -1.501 -17.471 1.00 0.00 H new ATOM 1016 N GLU A 69 1.077 -0.977 -9.760 1.00 0.00 N ATOM 1017 CA GLU A 69 1.053 -1.148 -8.313 1.00 0.00 C ATOM 1018 C GLU A 69 -0.270 -1.752 -7.854 1.00 0.00 C ATOM 1019 O GLU A 69 -1.345 -1.294 -8.243 1.00 0.00 O ATOM 1020 CB GLU A 69 1.280 0.195 -7.618 1.00 0.00 C ATOM 1021 CG GLU A 69 1.822 0.065 -6.204 1.00 0.00 C ATOM 1022 CD GLU A 69 3.230 -0.493 -6.169 1.00 0.00 C ATOM 1023 OE1 GLU A 69 3.968 -0.302 -7.159 1.00 0.00 O ATOM 1024 OE2 GLU A 69 3.597 -1.120 -5.154 1.00 0.00 O ATOM 0 H GLU A 69 0.310 -0.419 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 69 1.856 -1.833 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.975 0.789 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.338 0.743 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.811 1.043 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.164 -0.583 -5.625 1.00 0.00 H new ATOM 1031 N MET A 70 -0.180 -2.783 -7.019 1.00 0.00 N ATOM 1032 CA MET A 70 -1.366 -3.452 -6.498 1.00 0.00 C ATOM 1033 C MET A 70 -1.515 -3.190 -5.005 1.00 0.00 C ATOM 1034 O MET A 70 -0.567 -3.356 -4.238 1.00 0.00 O ATOM 1035 CB MET A 70 -1.284 -4.957 -6.761 1.00 0.00 C ATOM 1036 CG MET A 70 -2.603 -5.683 -6.552 1.00 0.00 C ATOM 1037 SD MET A 70 -3.618 -5.718 -8.041 1.00 0.00 S ATOM 1038 CE MET A 70 -5.209 -6.178 -7.355 1.00 0.00 C ATOM 0 H MET A 70 0.703 -3.173 -6.689 1.00 0.00 H new ATOM 0 HA MET A 70 -2.240 -3.051 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.947 -5.121 -7.784 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.531 -5.392 -6.104 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.404 -6.705 -6.228 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.158 -5.197 -5.750 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.581 -7.067 -7.864 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.099 -6.388 -6.291 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.915 -5.359 -7.492 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.709 -2.776 -4.596 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.954 -2.495 -3.194 1.00 0.00 C ATOM 1050 C GLY A 71 -3.871 -3.515 -2.548 1.00 0.00 C ATOM 1051 O GLY A 71 -4.693 -4.135 -3.222 1.00 0.00 O ATOM 0 H GLY A 71 -3.511 -2.630 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.004 -2.475 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.395 -1.503 -3.097 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.730 -3.687 -1.239 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.554 -4.639 -0.502 1.00 0.00 C ATOM 1057 C TYR A 72 -5.084 -4.013 0.783 1.00 0.00 C ATOM 1058 O TYR A 72 -4.317 -3.682 1.686 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.749 -5.897 -0.177 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.332 -6.683 -1.400 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.270 -7.084 -2.344 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.001 -7.024 -1.611 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.893 -7.802 -3.463 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.617 -7.742 -2.729 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.567 -8.128 -3.650 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.188 -8.844 -4.763 1.00 0.00 O ATOM 0 H TYR A 72 -3.054 -3.181 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.402 -4.913 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.858 -5.613 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.343 -6.540 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.310 -6.830 -2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.255 -6.723 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.634 -8.106 -4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.579 -7.999 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.219 -8.989 -4.744 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.401 -3.854 0.858 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.033 -3.269 2.035 1.00 0.00 C ATOM 1078 C ASP A 73 -7.429 -4.348 3.036 1.00 0.00 C ATOM 1079 O ASP A 73 -8.188 -5.262 2.712 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.262 -2.453 1.629 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.356 -1.138 2.379 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.588 -1.169 3.606 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -8.198 -0.076 1.739 1.00 0.00 O ATOM 0 H ASP A 73 -7.051 -4.122 0.119 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.310 -2.608 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.226 -2.255 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.162 -3.039 1.815 1.00 0.00 H new ATOM 1088 N TRP A 74 -6.909 -4.233 4.254 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.203 -5.194 5.310 1.00 0.00 C ATOM 1090 C TRP A 74 -7.448 -4.484 6.639 1.00 0.00 C ATOM 1091 O TRP A 74 -6.901 -3.410 6.892 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.050 -6.193 5.453 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.391 -7.569 4.967 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.619 -8.166 4.991 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.492 -8.521 4.388 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.537 -9.432 4.461 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.242 -9.673 4.083 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.125 -8.510 4.095 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -5.670 -10.801 3.502 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.559 -9.632 3.518 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -4.331 -10.764 3.227 1.00 0.00 C ATOM 0 H TRP A 74 -6.280 -3.481 4.534 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.110 -5.734 5.036 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.188 -5.823 4.898 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.755 -6.249 6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.522 -7.711 5.370 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.314 -10.086 4.365 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.522 -7.641 4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.263 -11.675 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.504 -9.636 3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.859 -11.625 2.776 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.408 -8.211 1.741 1.00 0.00 N ATOM 1362 CA GLN A 92 -11.016 -8.080 1.325 1.00 0.00 C ATOM 1363 C GLN A 92 -10.865 -6.960 0.300 1.00 0.00 C ATOM 1364 O GLN A 92 -11.626 -6.884 -0.663 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.510 -9.402 0.739 1.00 0.00 C ATOM 1366 CG GLN A 92 -9.544 -10.140 1.651 1.00 0.00 C ATOM 1367 CD GLN A 92 -10.215 -10.672 2.901 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -10.085 -10.097 3.984 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -10.939 -11.777 2.762 1.00 0.00 N ATOM 0 HA GLN A 92 -10.418 -7.831 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.363 -10.047 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.018 -9.203 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.094 -10.968 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.734 -9.469 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.021 -12.222 1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.413 -12.181 3.570 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.887 -6.088 0.520 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.669 -4.983 -0.395 1.00 0.00 C ATOM 1380 C GLY A 93 -8.596 -5.269 -1.427 1.00 0.00 C ATOM 1381 O GLY A 93 -7.483 -5.664 -1.085 1.00 0.00 O ATOM 0 H GLY A 93 -9.244 -6.126 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.604 -4.752 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.390 -4.097 0.175 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.934 -5.055 -2.695 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.997 -5.274 -3.791 1.00 0.00 C ATOM 1387 C VAL A 94 -7.916 -4.028 -4.668 1.00 0.00 C ATOM 1388 O VAL A 94 -8.913 -3.606 -5.252 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.395 -6.489 -4.663 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.554 -7.704 -4.304 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.878 -6.804 -4.521 1.00 0.00 C ATOM 0 H VAL A 94 -9.854 -4.729 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.024 -5.483 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.204 -6.231 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.849 -8.548 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.501 -7.480 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.709 -7.957 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.129 -7.662 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.103 -7.034 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.465 -5.942 -4.837 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.731 -3.430 -4.740 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.537 -2.219 -5.528 1.00 0.00 C ATOM 1403 C GLN A 95 -5.644 -2.462 -6.738 1.00 0.00 C ATOM 1404 O GLN A 95 -4.701 -3.252 -6.686 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.938 -1.115 -4.656 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.739 -0.829 -3.397 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.881 -0.815 -2.146 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -4.865 0.040 -2.134 1.00 0.00 O flip ATOM 1409 NE2 GLN A 95 -6.127 -1.567 -1.202 1.00 0.00 N flip ATOM 0 H GLN A 95 -5.893 -3.763 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.515 -1.908 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.923 -1.397 -4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.863 -0.200 -5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.239 0.134 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.519 -1.583 -3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.918 -2.208 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.539 -1.548 -0.368 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.947 -1.756 -7.823 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.183 -1.859 -9.061 1.00 0.00 C ATOM 1420 C LEU A 96 -4.918 -0.458 -9.607 1.00 0.00 C ATOM 1421 O LEU A 96 -5.852 0.245 -9.996 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.954 -2.698 -10.086 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.369 -2.716 -11.502 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.340 -4.134 -12.050 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.173 -1.807 -12.421 1.00 0.00 C ATOM 0 H LEU A 96 -6.726 -1.099 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.231 -2.351 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.008 -3.724 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.976 -2.324 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.345 -2.344 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.921 -4.127 -13.056 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.724 -4.761 -11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.354 -4.533 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.744 -1.831 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.206 -2.151 -12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.145 -0.787 -12.039 1.00 0.00 H new ATOM 1437 N THR A 97 -3.654 -0.037 -9.609 1.00 0.00 N ATOM 1438 CA THR A 97 -3.318 1.301 -10.082 1.00 0.00 C ATOM 1439 C THR A 97 -1.915 1.363 -10.671 1.00 0.00 C ATOM 1440 O THR A 97 -1.143 0.407 -10.584 1.00 0.00 O ATOM 1441 CB THR A 97 -3.425 2.304 -8.929 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.236 2.312 -8.159 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.576 2.025 -7.985 1.00 0.00 C ATOM 0 H THR A 97 -2.859 -0.593 -9.294 1.00 0.00 H new ATOM 0 HA THR A 97 -4.027 1.555 -10.870 1.00 0.00 H new ATOM 0 HB THR A 97 -3.598 3.268 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.449 2.543 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.588 2.776 -7.195 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.516 2.063 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.453 1.036 -7.544 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.592 2.513 -11.254 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.279 2.736 -11.843 1.00 0.00 C ATOM 1453 C ALA A 98 0.571 3.584 -10.905 1.00 0.00 C ATOM 1454 O ALA A 98 0.113 4.609 -10.398 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.412 3.410 -13.201 1.00 0.00 C ATOM 0 H ALA A 98 -2.226 3.308 -11.331 1.00 0.00 H new ATOM 0 HA ALA A 98 0.211 1.773 -11.988 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.579 3.569 -13.627 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.995 2.774 -13.867 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.915 4.370 -13.083 1.00 0.00 H new ATOM 1461 N LYS A 99 1.799 3.145 -10.658 1.00 0.00 N ATOM 1462 CA LYS A 99 2.694 3.863 -9.760 1.00 0.00 C ATOM 1463 C LYS A 99 3.954 4.335 -10.477 1.00 0.00 C ATOM 1464 O LYS A 99 4.608 3.569 -11.183 1.00 0.00 O ATOM 1465 CB LYS A 99 3.074 2.976 -8.571 1.00 0.00 C ATOM 1466 CG LYS A 99 4.057 3.626 -7.609 1.00 0.00 C ATOM 1467 CD LYS A 99 5.269 2.742 -7.363 1.00 0.00 C ATOM 1468 CE LYS A 99 6.089 2.556 -8.630 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.037 1.413 -8.516 1.00 0.00 N ATOM 0 H LYS A 99 2.197 2.299 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 99 2.162 4.744 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.169 2.709 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.506 2.048 -8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.382 4.585 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.558 3.831 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.892 3.185 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.943 1.770 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.420 2.390 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.645 3.470 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.375 1.147 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.846 1.691 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.552 0.602 -8.081 1.00 0.00 H new ATOM 1483 N LEU A 100 4.289 5.603 -10.270 1.00 0.00 N ATOM 1484 CA LEU A 100 5.477 6.196 -10.872 1.00 0.00 C ATOM 1485 C LEU A 100 6.233 7.013 -9.832 1.00 0.00 C ATOM 1486 O LEU A 100 5.633 7.786 -9.084 1.00 0.00 O ATOM 1487 CB LEU A 100 5.094 7.079 -12.064 1.00 0.00 C ATOM 1488 CG LEU A 100 4.359 8.375 -11.707 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.348 9.517 -11.528 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.335 8.718 -12.779 1.00 0.00 C ATOM 0 H LEU A 100 3.751 6.244 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 100 6.122 5.395 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.001 7.334 -12.613 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.466 6.498 -12.739 1.00 0.00 H new ATOM 0 HG LEU A 100 3.833 8.225 -10.764 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.808 10.429 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.044 9.273 -10.726 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.901 9.668 -12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.822 9.641 -12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.840 8.849 -13.736 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.608 7.910 -12.860 1.00 0.00 H new ATOM 1502 N GLY A 101 7.548 6.830 -9.775 1.00 0.00 N ATOM 1503 CA GLY A 101 8.344 7.558 -8.806 1.00 0.00 C ATOM 1504 C GLY A 101 9.740 7.876 -9.302 1.00 0.00 C ATOM 1505 O GLY A 101 10.105 7.537 -10.427 1.00 0.00 O ATOM 0 H GLY A 101 8.073 6.196 -10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.835 8.488 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.415 6.972 -7.890 1.00 0.00 H new ATOM 1509 N TYR A 102 10.520 8.533 -8.449 1.00 0.00 N ATOM 1510 CA TYR A 102 11.888 8.910 -8.786 1.00 0.00 C ATOM 1511 C TYR A 102 12.654 9.341 -7.532 1.00 0.00 C ATOM 1512 O TYR A 102 12.180 10.182 -6.769 1.00 0.00 O ATOM 1513 CB TYR A 102 11.885 10.048 -9.811 1.00 0.00 C ATOM 1514 CG TYR A 102 12.278 9.612 -11.206 1.00 0.00 C ATOM 1515 CD1 TYR A 102 13.504 9.005 -11.446 1.00 0.00 C ATOM 1516 CD2 TYR A 102 11.423 9.810 -12.281 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.867 8.606 -12.718 1.00 0.00 C ATOM 1518 CE2 TYR A 102 11.777 9.415 -13.558 1.00 0.00 C ATOM 1519 CZ TYR A 102 13.001 8.815 -13.770 1.00 0.00 C ATOM 1520 OH TYR A 102 13.358 8.419 -15.039 1.00 0.00 O ATOM 0 H TYR A 102 10.226 8.816 -7.514 1.00 0.00 H new ATOM 0 HA TYR A 102 12.386 8.042 -9.217 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.890 10.491 -9.845 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.570 10.828 -9.477 1.00 0.00 H new ATOM 0 HD1 TYR A 102 14.185 8.842 -10.624 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.465 10.281 -12.117 1.00 0.00 H new ATOM 0 HE1 TYR A 102 14.823 8.133 -12.887 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.100 9.575 -14.384 1.00 0.00 H new ATOM 0 HH TYR A 102 12.636 8.637 -15.665 1.00 0.00 H new ATOM 1530 N PRO A 103 13.852 8.770 -7.296 1.00 0.00 N ATOM 1531 CA PRO A 103 14.668 9.110 -6.124 1.00 0.00 C ATOM 1532 C PRO A 103 15.193 10.543 -6.185 1.00 0.00 C ATOM 1533 O PRO A 103 15.061 11.218 -7.206 1.00 0.00 O ATOM 1534 CB PRO A 103 15.839 8.117 -6.183 1.00 0.00 C ATOM 1535 CG PRO A 103 15.433 7.076 -7.173 1.00 0.00 C ATOM 1536 CD PRO A 103 14.505 7.755 -8.136 1.00 0.00 C ATOM 0 HA PRO A 103 14.090 9.047 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.759 8.614 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.028 7.675 -5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.302 6.670 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.938 6.240 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.045 8.205 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.784 7.058 -8.563 1.00 0.00 H new ATOM 1601 N LEU A 108 15.870 9.201 -0.415 1.00 0.00 N ATOM 1602 CA LEU A 108 14.675 10.021 -0.574 1.00 0.00 C ATOM 1603 C LEU A 108 14.099 9.841 -1.975 1.00 0.00 C ATOM 1604 O LEU A 108 14.812 9.977 -2.967 1.00 0.00 O ATOM 1605 CB LEU A 108 14.988 11.502 -0.315 1.00 0.00 C ATOM 1606 CG LEU A 108 16.406 11.802 0.186 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.764 13.255 -0.079 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.533 11.477 1.671 1.00 0.00 C ATOM 0 HA LEU A 108 13.936 9.696 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.824 12.057 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.275 11.883 0.417 1.00 0.00 H new ATOM 0 HG LEU A 108 17.106 11.169 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.773 13.453 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.717 13.452 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.059 13.904 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.547 11.697 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.824 12.081 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.319 10.420 1.832 1.00 0.00 H new ATOM 1620 N ASP A 109 12.811 9.516 -2.053 1.00 0.00 N ATOM 1621 CA ASP A 109 12.165 9.301 -3.343 1.00 0.00 C ATOM 1622 C ASP A 109 10.719 9.790 -3.340 1.00 0.00 C ATOM 1623 O ASP A 109 10.076 9.865 -2.293 1.00 0.00 O ATOM 1624 CB ASP A 109 12.211 7.812 -3.700 1.00 0.00 C ATOM 1625 CG ASP A 109 11.608 7.515 -5.060 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.376 7.661 -5.210 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.367 7.127 -5.972 1.00 0.00 O ATOM 0 H ASP A 109 12.199 9.397 -1.245 1.00 0.00 H new ATOM 0 HA ASP A 109 12.708 9.878 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.246 7.471 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.677 7.244 -2.939 1.00 0.00 H new ATOM 1632 N ILE A 110 10.213 10.108 -4.531 1.00 0.00 N ATOM 1633 CA ILE A 110 8.839 10.575 -4.689 1.00 0.00 C ATOM 1634 C ILE A 110 8.030 9.558 -5.492 1.00 0.00 C ATOM 1635 O ILE A 110 8.482 9.080 -6.530 1.00 0.00 O ATOM 1636 CB ILE A 110 8.788 11.944 -5.404 1.00 0.00 C ATOM 1637 CG1 ILE A 110 7.336 12.403 -5.596 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.512 11.866 -6.741 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.192 13.622 -6.485 1.00 0.00 C ATOM 0 H ILE A 110 10.738 10.050 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 110 8.411 10.688 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 110 9.293 12.681 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.759 11.583 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.902 12.623 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.469 12.837 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.553 11.589 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.033 11.117 -7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.138 13.886 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.740 14.457 -6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.594 13.401 -7.474 1.00 0.00 H new ATOM 1651 N TYR A 111 6.841 9.218 -5.001 1.00 0.00 N ATOM 1652 CA TYR A 111 5.994 8.244 -5.681 1.00 0.00 C ATOM 1653 C TYR A 111 4.552 8.731 -5.795 1.00 0.00 C ATOM 1654 O TYR A 111 4.052 9.441 -4.922 1.00 0.00 O ATOM 1655 CB TYR A 111 6.028 6.907 -4.939 1.00 0.00 C ATOM 1656 CG TYR A 111 7.205 6.033 -5.314 1.00 0.00 C ATOM 1657 CD1 TYR A 111 7.208 5.311 -6.500 1.00 0.00 C ATOM 1658 CD2 TYR A 111 8.310 5.932 -4.479 1.00 0.00 C ATOM 1659 CE1 TYR A 111 8.283 4.512 -6.845 1.00 0.00 C ATOM 1660 CE2 TYR A 111 9.388 5.135 -4.817 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.369 4.428 -6.000 1.00 0.00 C ATOM 1662 OH TYR A 111 10.440 3.633 -6.339 1.00 0.00 O ATOM 0 H TYR A 111 6.445 9.599 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 111 6.387 8.115 -6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.056 7.098 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.105 6.365 -5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.358 5.374 -7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.328 6.485 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.272 3.957 -7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.241 5.067 -4.157 1.00 0.00 H new ATOM 0 HH TYR A 111 10.414 2.807 -5.812 1.00 0.00 H new ATOM 1672 N THR A 112 3.892 8.334 -6.878 1.00 0.00 N ATOM 1673 CA THR A 112 2.505 8.713 -7.120 1.00 0.00 C ATOM 1674 C THR A 112 1.727 7.540 -7.711 1.00 0.00 C ATOM 1675 O THR A 112 2.166 6.920 -8.679 1.00 0.00 O ATOM 1676 CB THR A 112 2.438 9.916 -8.063 1.00 0.00 C ATOM 1677 OG1 THR A 112 3.554 9.933 -8.934 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.399 11.244 -7.339 1.00 0.00 C ATOM 0 H THR A 112 4.299 7.746 -7.606 1.00 0.00 H new ATOM 0 HA THR A 112 2.052 8.988 -6.167 1.00 0.00 H new ATOM 0 HB THR A 112 1.507 9.797 -8.617 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.492 10.708 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.352 12.054 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.519 11.282 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.297 11.354 -6.732 1.00 0.00 H new ATOM 1686 N ARG A 113 0.575 7.235 -7.118 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.252 6.127 -7.587 1.00 0.00 C ATOM 1688 C ARG A 113 -1.647 6.602 -7.985 1.00 0.00 C ATOM 1689 O ARG A 113 -2.324 7.286 -7.215 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.362 5.052 -6.503 1.00 0.00 C ATOM 1691 CG ARG A 113 0.980 4.532 -6.018 1.00 0.00 C ATOM 1692 CD ARG A 113 0.815 3.292 -5.154 1.00 0.00 C ATOM 1693 NE ARG A 113 0.000 3.558 -3.970 1.00 0.00 N ATOM 1694 CZ ARG A 113 -0.685 2.623 -3.314 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -0.652 1.358 -3.715 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -1.405 2.954 -2.251 1.00 0.00 N ATOM 0 H ARG A 113 0.195 7.737 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 113 0.229 5.705 -8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.912 5.460 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.946 4.217 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.613 4.299 -6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.489 5.309 -5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.353 2.499 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.796 2.931 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.047 4.517 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.099 1.096 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.179 0.648 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.434 3.924 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.930 2.239 -1.748 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.073 6.222 -9.187 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.392 6.597 -9.690 1.00 0.00 C ATOM 1712 C LEU A 114 -4.084 5.393 -10.325 1.00 0.00 C ATOM 1713 O LEU A 114 -3.553 4.777 -11.248 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.271 7.731 -10.714 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.583 8.145 -11.387 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.590 9.640 -11.670 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.793 7.359 -12.673 1.00 0.00 C ATOM 0 H LEU A 114 -1.523 5.654 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.993 6.944 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.845 8.603 -10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.565 7.427 -11.487 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.404 7.920 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.530 9.915 -12.148 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.485 10.188 -10.734 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.760 9.889 -12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.730 7.666 -13.138 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.967 7.554 -13.357 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.832 6.294 -12.446 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.271 5.057 -9.820 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.007 3.924 -10.352 1.00 0.00 C ATOM 1731 C GLY A 115 -7.363 3.753 -9.694 1.00 0.00 C ATOM 1732 O GLY A 115 -8.082 4.728 -9.482 1.00 0.00 O ATOM 0 H GLY A 115 -5.733 5.548 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.141 4.054 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.421 3.016 -10.211 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.717 2.510 -9.374 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.996 2.249 -8.744 1.00 0.00 C ATOM 1738 C GLY A 116 -8.926 1.145 -7.708 1.00 0.00 C ATOM 1739 O GLY A 116 -7.988 0.348 -7.700 1.00 0.00 O ATOM 0 H GLY A 116 -7.142 1.684 -9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.356 3.163 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.724 1.978 -9.509 1.00 0.00 H new ATOM 1743 N MET A 117 -9.927 1.100 -6.834 1.00 0.00 N ATOM 1744 CA MET A 117 -9.985 0.087 -5.787 1.00 0.00 C ATOM 1745 C MET A 117 -11.249 -0.755 -5.921 1.00 0.00 C ATOM 1746 O MET A 117 -12.312 -0.244 -6.276 1.00 0.00 O ATOM 1747 CB MET A 117 -9.939 0.747 -4.407 1.00 0.00 C ATOM 1748 CG MET A 117 -9.917 -0.248 -3.256 1.00 0.00 C ATOM 1749 SD MET A 117 -11.335 -0.075 -2.155 1.00 0.00 S ATOM 1750 CE MET A 117 -10.693 -0.823 -0.659 1.00 0.00 C ATOM 0 H MET A 117 -10.709 1.754 -6.831 1.00 0.00 H new ATOM 0 HA MET A 117 -9.120 -0.567 -5.896 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.054 1.380 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 117 -10.806 1.399 -4.296 1.00 0.00 H new ATOM 0 HG2 MET A 117 -9.896 -1.261 -3.658 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.999 -0.114 -2.683 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.456 -0.792 0.119 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.420 -1.859 -0.859 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.813 -0.273 -0.326 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.123 -2.047 -5.635 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.254 -2.962 -5.722 1.00 0.00 C ATOM 1762 C VAL A 118 -12.379 -3.794 -4.451 1.00 0.00 C ATOM 1763 O VAL A 118 -11.380 -4.260 -3.904 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.130 -3.913 -6.932 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.507 -4.353 -7.407 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.354 -3.255 -8.068 1.00 0.00 C ATOM 0 H VAL A 118 -10.249 -2.483 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.145 -2.347 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.575 -4.796 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.401 -5.023 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -14.021 -4.873 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.087 -3.478 -7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.281 -3.947 -8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.872 -2.351 -8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.353 -2.997 -7.723 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.609 -3.978 -3.984 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.856 -4.756 -2.775 1.00 0.00 C ATOM 1778 C TRP A 119 -15.178 -5.510 -2.872 1.00 0.00 C ATOM 1779 O TRP A 119 -16.063 -5.136 -3.641 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.863 -3.843 -1.548 1.00 0.00 C ATOM 1781 CG TRP A 119 -14.893 -2.756 -1.620 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -14.716 -1.490 -2.099 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -16.258 -2.839 -1.195 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -15.888 -0.780 -1.999 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -16.850 -1.586 -1.448 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -17.040 -3.850 -0.628 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -18.185 -1.319 -1.153 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -18.364 -3.583 -0.335 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -18.925 -2.327 -0.598 1.00 0.00 C ATOM 0 H TRP A 119 -14.449 -3.600 -4.423 1.00 0.00 H new ATOM 0 HA TRP A 119 -13.052 -5.484 -2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -14.043 -4.445 -0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.877 -3.392 -1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.790 -1.103 -2.498 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -16.021 0.189 -2.288 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.617 -4.822 -0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -18.620 -0.351 -1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.977 -4.356 0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -19.963 -2.151 -0.358 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.641 -0.682 -6.209 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.582 -0.108 -7.031 1.00 0.00 C ATOM 2093 C VAL A 141 -15.507 1.406 -6.849 1.00 0.00 C ATOM 2094 O VAL A 141 -16.530 2.091 -6.843 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.798 -0.428 -8.523 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.121 0.144 -9.010 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.642 0.102 -9.359 1.00 0.00 C ATOM 0 HA VAL A 141 -14.644 -0.556 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.833 -1.511 -8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.253 -0.093 -10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.939 -0.290 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.120 1.226 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.814 -0.134 -10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.571 1.183 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.712 -0.362 -9.030 1.00 0.00 H new ATOM 2107 N SER A 142 -14.290 1.923 -6.702 1.00 0.00 N ATOM 2108 CA SER A 142 -14.091 3.357 -6.521 1.00 0.00 C ATOM 2109 C SER A 142 -12.684 3.781 -6.947 1.00 0.00 C ATOM 2110 O SER A 142 -11.696 3.182 -6.526 1.00 0.00 O ATOM 2111 CB SER A 142 -14.329 3.743 -5.060 1.00 0.00 C ATOM 2112 OG SER A 142 -13.756 2.790 -4.181 1.00 0.00 O ATOM 0 H SER A 142 -13.431 1.373 -6.705 1.00 0.00 H new ATOM 0 HA SER A 142 -14.810 3.877 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.900 4.726 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.400 3.820 -4.871 1.00 0.00 H new ATOM 0 HG SER A 142 -13.920 3.060 -3.253 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.575 4.825 -7.792 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.281 5.325 -8.267 1.00 0.00 C ATOM 2120 C PRO A 143 -10.575 6.178 -7.218 1.00 0.00 C ATOM 2121 O PRO A 143 -11.216 6.938 -6.493 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.665 6.174 -9.476 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.029 6.681 -9.157 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.702 5.603 -8.346 1.00 0.00 C ATOM 0 HA PRO A 143 -10.583 4.520 -8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.962 6.993 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.665 5.583 -10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.976 7.614 -8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.590 6.889 -10.068 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.323 6.025 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.351 4.983 -8.965 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.252 6.052 -7.142 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.472 6.817 -6.176 1.00 0.00 C ATOM 2134 C VAL A 144 -7.019 6.954 -6.616 1.00 0.00 C ATOM 2135 O VAL A 144 -6.542 6.207 -7.468 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.510 6.168 -4.779 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.923 6.187 -4.217 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.969 4.746 -4.836 1.00 0.00 C ATOM 0 H VAL A 144 -8.701 5.431 -7.735 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.927 7.806 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.873 6.749 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.928 5.724 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.269 7.218 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.586 5.633 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.003 4.303 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.577 4.152 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.938 4.763 -5.190 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.318 7.914 -6.019 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.916 8.155 -6.335 1.00 0.00 C ATOM 2150 C PHE A 145 -4.166 8.638 -5.099 1.00 0.00 C ATOM 2151 O PHE A 145 -4.549 9.630 -4.479 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.794 9.185 -7.460 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.619 10.420 -7.235 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -6.998 10.381 -7.372 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -5.017 11.618 -6.889 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.760 11.516 -7.166 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.774 12.756 -6.682 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.146 12.704 -6.820 1.00 0.00 C ATOM 0 H PHE A 145 -6.702 8.540 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.472 7.217 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.748 9.471 -7.568 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.096 8.722 -8.400 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.482 9.454 -7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.944 11.664 -6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.834 11.474 -7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.292 13.684 -6.413 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.739 13.592 -6.658 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.100 7.931 -4.740 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.306 8.291 -3.570 1.00 0.00 C ATOM 2170 C ALA A 146 -0.902 8.735 -3.964 1.00 0.00 C ATOM 2171 O ALA A 146 -0.261 8.120 -4.817 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.238 7.121 -2.601 1.00 0.00 C ATOM 0 H ALA A 146 -2.766 7.107 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.795 9.132 -3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.643 7.402 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.245 6.855 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.777 6.266 -3.095 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.430 9.804 -3.332 1.00 0.00 N ATOM 2179 CA GLY A 147 0.898 10.314 -3.622 1.00 0.00 C ATOM 2180 C GLY A 147 1.675 10.629 -2.360 1.00 0.00 C ATOM 2181 O GLY A 147 1.145 11.246 -1.436 1.00 0.00 O ATOM 0 H GLY A 147 -0.944 10.327 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.447 9.580 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.815 11.214 -4.231 1.00 0.00 H new ATOM 2185 N GLY A 148 2.934 10.203 -2.314 1.00 0.00 N ATOM 2186 CA GLY A 148 3.752 10.454 -1.145 1.00 0.00 C ATOM 2187 C GLY A 148 5.237 10.362 -1.433 1.00 0.00 C ATOM 2188 O GLY A 148 5.667 10.513 -2.578 1.00 0.00 O ATOM 0 H GLY A 148 3.399 9.691 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.524 11.446 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.493 9.737 -0.366 1.00 0.00 H new ATOM 2192 N VAL A 149 6.024 10.113 -0.390 1.00 0.00 N ATOM 2193 CA VAL A 149 7.472 10.003 -0.535 1.00 0.00 C ATOM 2194 C VAL A 149 8.014 8.802 0.234 1.00 0.00 C ATOM 2195 O VAL A 149 7.309 8.203 1.046 1.00 0.00 O ATOM 2196 CB VAL A 149 8.186 11.277 -0.043 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.966 12.428 -1.017 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.713 11.648 1.355 1.00 0.00 C ATOM 0 H VAL A 149 5.684 9.984 0.563 1.00 0.00 H new ATOM 0 HA VAL A 149 7.672 9.871 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 149 9.256 11.076 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.478 13.318 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.363 12.158 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.899 12.633 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.228 12.550 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.638 11.829 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.934 10.831 2.042 1.00 0.00 H new ATOM 2208 N GLU A 150 9.271 8.456 -0.026 1.00 0.00 N ATOM 2209 CA GLU A 150 9.908 7.327 0.643 1.00 0.00 C ATOM 2210 C GLU A 150 11.279 7.717 1.186 1.00 0.00 C ATOM 2211 O GLU A 150 12.031 8.445 0.536 1.00 0.00 O ATOM 2212 CB GLU A 150 10.046 6.147 -0.322 1.00 0.00 C ATOM 2213 CG GLU A 150 10.455 4.850 0.357 1.00 0.00 C ATOM 2214 CD GLU A 150 11.212 3.920 -0.570 1.00 0.00 C ATOM 2215 OE1 GLU A 150 11.758 4.406 -1.582 1.00 0.00 O ATOM 2216 OE2 GLU A 150 11.258 2.705 -0.283 1.00 0.00 O ATOM 0 H GLU A 150 9.869 8.941 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 150 9.277 7.031 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.096 5.995 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.784 6.396 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.076 5.078 1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.565 4.342 0.728 1.00 0.00 H new ATOM 2223 N TRP A 151 11.595 7.225 2.380 1.00 0.00 N ATOM 2224 CA TRP A 151 12.876 7.519 3.017 1.00 0.00 C ATOM 2225 C TRP A 151 13.613 6.230 3.371 1.00 0.00 C ATOM 2226 O TRP A 151 13.071 5.358 4.049 1.00 0.00 O ATOM 2227 CB TRP A 151 12.662 8.364 4.274 1.00 0.00 C ATOM 2228 CG TRP A 151 13.172 9.766 4.142 1.00 0.00 C ATOM 2229 CD1 TRP A 151 14.450 10.198 4.351 1.00 0.00 C ATOM 2230 CD2 TRP A 151 12.413 10.923 3.770 1.00 0.00 C ATOM 2231 NE1 TRP A 151 14.534 11.551 4.133 1.00 0.00 N ATOM 2232 CE2 TRP A 151 13.296 12.020 3.774 1.00 0.00 C ATOM 2233 CE3 TRP A 151 11.074 11.138 3.432 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 12.882 13.311 3.454 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 10.664 12.420 3.115 1.00 0.00 C ATOM 2236 CH2 TRP A 151 11.566 13.491 3.128 1.00 0.00 C ATOM 0 H TRP A 151 10.982 6.621 2.927 1.00 0.00 H new ATOM 0 HA TRP A 151 13.486 8.083 2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.597 8.393 4.507 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.159 7.882 5.116 1.00 0.00 H new ATOM 0 HD1 TRP A 151 15.276 9.567 4.645 1.00 0.00 H new ATOM 0 HE1 TRP A 151 15.379 12.115 4.223 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.372 10.317 3.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 13.575 14.139 3.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 9.631 12.598 2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 151 11.215 14.481 2.875 1.00 0.00 H new ATOM 2247 N ALA A 152 14.853 6.116 2.903 1.00 0.00 N ATOM 2248 CA ALA A 152 15.664 4.932 3.167 1.00 0.00 C ATOM 2249 C ALA A 152 16.440 5.068 4.474 1.00 0.00 C ATOM 2250 O ALA A 152 17.006 6.122 4.766 1.00 0.00 O ATOM 2251 CB ALA A 152 16.618 4.681 2.010 1.00 0.00 C ATOM 0 H ALA A 152 15.317 6.828 2.340 1.00 0.00 H new ATOM 0 HA ALA A 152 14.992 4.080 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.218 3.795 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 152 16.047 4.525 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.274 5.542 1.886 1.00 0.00 H new ATOM 2257 N VAL A 153 16.464 3.991 5.254 1.00 0.00 N ATOM 2258 CA VAL A 153 17.172 3.984 6.529 1.00 0.00 C ATOM 2259 C VAL A 153 18.427 3.117 6.452 1.00 0.00 C ATOM 2260 O VAL A 153 19.547 3.625 6.491 1.00 0.00 O ATOM 2261 CB VAL A 153 16.268 3.472 7.671 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.043 3.386 8.981 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.047 4.368 7.825 1.00 0.00 C ATOM 0 H VAL A 153 16.001 3.112 5.025 1.00 0.00 H new ATOM 0 HA VAL A 153 17.459 5.014 6.742 1.00 0.00 H new ATOM 0 HB VAL A 153 15.929 2.468 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.385 3.023 9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.881 2.699 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.418 4.374 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.420 3.993 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.368 5.384 8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.477 4.370 6.896 1.00 0.00 H new ATOM 2323 N ILE A 157 15.316 -1.631 3.424 1.00 0.00 N ATOM 2324 CA ILE A 157 14.163 -1.328 4.266 1.00 0.00 C ATOM 2325 C ILE A 157 13.992 0.177 4.435 1.00 0.00 C ATOM 2326 O ILE A 157 14.692 0.805 5.230 1.00 0.00 O ATOM 2327 CB ILE A 157 14.294 -1.978 5.657 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.706 -3.446 5.524 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.987 -1.855 6.424 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.831 -4.163 6.852 1.00 0.00 C ATOM 0 HA ILE A 157 13.287 -1.739 3.764 1.00 0.00 H new ATOM 0 HB ILE A 157 15.070 -1.454 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.973 -3.966 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.660 -3.501 5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 157 13.095 -2.319 7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.735 -0.802 6.547 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.192 -2.356 5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.126 -5.198 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.585 -3.668 7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.872 -4.140 7.370 1.00 0.00 H new ATOM 2342 N ALA A 158 13.058 0.751 3.684 1.00 0.00 N ATOM 2343 CA ALA A 158 12.800 2.184 3.749 1.00 0.00 C ATOM 2344 C ALA A 158 11.378 2.468 4.224 1.00 0.00 C ATOM 2345 O ALA A 158 10.513 1.595 4.186 1.00 0.00 O ATOM 2346 CB ALA A 158 13.038 2.821 2.388 1.00 0.00 C ATOM 0 H ALA A 158 12.467 0.246 3.024 1.00 0.00 H new ATOM 0 HA ALA A 158 13.489 2.620 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.842 3.892 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 158 14.072 2.658 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.370 2.371 1.654 1.00 0.00 H new ATOM 2352 N THR A 159 11.146 3.702 4.664 1.00 0.00 N ATOM 2353 CA THR A 159 9.829 4.111 5.139 1.00 0.00 C ATOM 2354 C THR A 159 9.106 4.907 4.060 1.00 0.00 C ATOM 2355 O THR A 159 9.741 5.566 3.237 1.00 0.00 O ATOM 2356 CB THR A 159 9.958 4.949 6.412 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.673 6.144 6.156 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.664 4.222 7.537 1.00 0.00 C ATOM 0 H THR A 159 11.854 4.436 4.701 1.00 0.00 H new ATOM 0 HA THR A 159 9.249 3.217 5.367 1.00 0.00 H new ATOM 0 HB THR A 159 8.935 5.161 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.743 6.666 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.722 4.872 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 159 10.108 3.320 7.793 1.00 0.00 H new ATOM 0 HG23 THR A 159 11.671 3.950 7.219 1.00 0.00 H new ATOM 2366 N ARG A 160 7.780 4.840 4.058 1.00 0.00 N ATOM 2367 CA ARG A 160 6.995 5.555 3.062 1.00 0.00 C ATOM 2368 C ARG A 160 5.776 6.234 3.677 1.00 0.00 C ATOM 2369 O ARG A 160 5.025 5.623 4.440 1.00 0.00 O ATOM 2370 CB ARG A 160 6.550 4.597 1.954 1.00 0.00 C ATOM 2371 CG ARG A 160 5.761 5.275 0.845 1.00 0.00 C ATOM 2372 CD ARG A 160 6.037 4.636 -0.505 1.00 0.00 C ATOM 2373 NE ARG A 160 4.919 4.810 -1.431 1.00 0.00 N ATOM 2374 CZ ARG A 160 4.579 5.980 -1.968 1.00 0.00 C ATOM 2375 NH1 ARG A 160 5.266 7.077 -1.678 1.00 0.00 N ATOM 2376 NH2 ARG A 160 3.548 6.051 -2.799 1.00 0.00 N ATOM 0 H ARG A 160 7.231 4.303 4.729 1.00 0.00 H new ATOM 0 HA ARG A 160 7.633 6.332 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 160 7.430 4.119 1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.940 3.807 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 160 4.695 5.215 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.020 6.333 0.808 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.937 5.074 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.234 3.572 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 160 4.368 3.988 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.060 7.028 -1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.000 7.970 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.017 5.210 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.286 6.946 -3.211 1.00 0.00 H new ATOM 2390 N LEU A 161 5.579 7.497 3.315 1.00 0.00 N ATOM 2391 CA LEU A 161 4.445 8.274 3.793 1.00 0.00 C ATOM 2392 C LEU A 161 3.591 8.708 2.607 1.00 0.00 C ATOM 2393 O LEU A 161 4.073 9.402 1.708 1.00 0.00 O ATOM 2394 CB LEU A 161 4.921 9.498 4.581 1.00 0.00 C ATOM 2395 CG LEU A 161 4.110 9.813 5.841 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.844 10.819 6.715 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.728 10.335 5.467 1.00 0.00 C ATOM 0 H LEU A 161 6.198 8.007 2.685 1.00 0.00 H new ATOM 0 HA LEU A 161 3.847 7.654 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.962 9.345 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.895 10.367 3.924 1.00 0.00 H new ATOM 0 HG LEU A 161 3.989 8.892 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.251 11.029 7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.809 10.408 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.999 11.742 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.164 10.554 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.831 11.244 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.199 9.580 4.885 1.00 0.00 H new ATOM 2409 N GLU A 162 2.332 8.276 2.594 1.00 0.00 N ATOM 2410 CA GLU A 162 1.429 8.601 1.495 1.00 0.00 C ATOM 2411 C GLU A 162 0.339 9.577 1.924 1.00 0.00 C ATOM 2412 O GLU A 162 -0.150 9.531 3.054 1.00 0.00 O ATOM 2413 CB GLU A 162 0.792 7.326 0.942 1.00 0.00 C ATOM 2414 CG GLU A 162 1.592 6.684 -0.181 1.00 0.00 C ATOM 2415 CD GLU A 162 0.756 6.418 -1.417 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.242 5.674 -1.310 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.099 6.953 -2.493 1.00 0.00 O ATOM 0 H GLU A 162 1.917 7.703 3.328 1.00 0.00 H new ATOM 0 HA GLU A 162 2.022 9.083 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.677 6.606 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.209 7.558 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 162 2.426 7.334 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.019 5.745 0.173 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.043 10.453 0.998 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.082 11.444 1.249 1.00 0.00 C ATOM 2426 C TYR A 163 -2.094 11.449 0.106 1.00 0.00 C ATOM 2427 O TYR A 163 -1.744 11.181 -1.044 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.465 12.835 1.410 1.00 0.00 C ATOM 2429 CG TYR A 163 -1.441 13.886 1.892 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -2.409 13.585 2.843 1.00 0.00 C ATOM 2431 CD2 TYR A 163 -1.394 15.182 1.394 1.00 0.00 C ATOM 2432 CE1 TYR A 163 -3.301 14.545 3.282 1.00 0.00 C ATOM 2433 CE2 TYR A 163 -2.281 16.148 1.829 1.00 0.00 C ATOM 2434 CZ TYR A 163 -3.232 15.824 2.774 1.00 0.00 C ATOM 2435 OH TYR A 163 -4.118 16.783 3.209 1.00 0.00 O ATOM 0 H TYR A 163 0.356 10.495 0.060 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.596 11.181 2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.365 12.774 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.050 13.151 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -2.465 12.584 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -0.651 15.439 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -4.049 14.294 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.230 17.151 1.431 1.00 0.00 H new ATOM 0 HH TYR A 163 -3.933 17.630 2.753 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.350 11.743 0.428 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.407 11.770 -0.578 1.00 0.00 C ATOM 2447 C GLN A 164 -4.260 12.972 -1.508 1.00 0.00 C ATOM 2448 O GLN A 164 -3.773 12.843 -2.631 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.782 11.786 0.094 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.627 10.563 -0.224 1.00 0.00 C ATOM 2451 CD GLN A 164 -8.110 10.873 -0.269 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.783 10.599 -1.263 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -8.628 11.446 0.811 1.00 0.00 N ATOM 0 H GLN A 164 -3.660 11.965 1.374 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.317 10.866 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.649 11.855 1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.320 12.681 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.317 10.152 -1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.443 9.794 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -8.033 11.655 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -9.621 11.677 0.839 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.613 10.701 5.828 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.181 10.422 5.795 1.00 0.00 C ATOM 2726 C LEU A 184 -1.887 9.025 6.332 1.00 0.00 C ATOM 2727 O LEU A 184 -2.324 8.665 7.425 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.418 11.468 6.610 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.697 12.922 6.219 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.075 13.350 6.698 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.625 13.841 6.782 1.00 0.00 C ATOM 0 HA LEU A 184 -1.850 10.469 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.665 11.337 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.350 11.278 6.507 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.675 12.995 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.255 14.386 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.833 12.711 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.127 13.260 7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.840 14.870 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.614 13.763 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.348 13.549 6.387 1.00 0.00 H new ATOM 2743 N SER A 185 -1.148 8.239 5.554 1.00 0.00 N ATOM 2744 CA SER A 185 -0.800 6.879 5.952 1.00 0.00 C ATOM 2745 C SER A 185 0.713 6.695 6.012 1.00 0.00 C ATOM 2746 O SER A 185 1.454 7.293 5.229 1.00 0.00 O ATOM 2747 CB SER A 185 -1.408 5.870 4.976 1.00 0.00 C ATOM 2748 OG SER A 185 -0.806 5.971 3.697 1.00 0.00 O ATOM 0 H SER A 185 -0.779 8.520 4.646 1.00 0.00 H new ATOM 0 HA SER A 185 -1.207 6.705 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.277 4.860 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 185 -2.481 6.043 4.891 1.00 0.00 H new ATOM 0 HG SER A 185 -1.302 6.616 3.152 1.00 0.00 H new ATOM 2754 N LEU A 186 1.167 5.860 6.944 1.00 0.00 N ATOM 2755 CA LEU A 186 2.596 5.595 7.102 1.00 0.00 C ATOM 2756 C LEU A 186 2.876 4.097 7.034 1.00 0.00 C ATOM 2757 O LEU A 186 2.104 3.289 7.554 1.00 0.00 O ATOM 2758 CB LEU A 186 3.119 6.164 8.431 1.00 0.00 C ATOM 2759 CG LEU A 186 2.147 7.066 9.197 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.252 6.234 10.103 1.00 0.00 C ATOM 2761 CD2 LEU A 186 2.910 8.105 10.007 1.00 0.00 C ATOM 0 H LEU A 186 0.569 5.357 7.599 1.00 0.00 H new ATOM 0 HA LEU A 186 3.118 6.090 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.398 5.331 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.029 6.730 8.230 1.00 0.00 H new ATOM 0 HG LEU A 186 1.518 7.587 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.567 6.890 10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.680 5.528 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.866 5.687 10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.204 8.737 10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.563 7.602 10.720 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.510 8.720 9.337 1.00 0.00 H new ATOM 2773 N GLY A 187 3.979 3.728 6.389 1.00 0.00 N ATOM 2774 CA GLY A 187 4.326 2.324 6.271 1.00 0.00 C ATOM 2775 C GLY A 187 5.783 2.103 5.915 1.00 0.00 C ATOM 2776 O GLY A 187 6.556 3.054 5.801 1.00 0.00 O ATOM 0 H GLY A 187 4.635 4.373 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 187 4.107 1.821 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.697 1.863 5.509 1.00 0.00 H new ATOM 2780 N VAL A 188 6.152 0.839 5.730 1.00 0.00 N ATOM 2781 CA VAL A 188 7.522 0.483 5.375 1.00 0.00 C ATOM 2782 C VAL A 188 7.538 -0.429 4.153 1.00 0.00 C ATOM 2783 O VAL A 188 6.687 -1.307 4.015 1.00 0.00 O ATOM 2784 CB VAL A 188 8.263 -0.210 6.538 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.844 0.823 7.491 1.00 0.00 C ATOM 2786 CG2 VAL A 188 7.340 -1.169 7.281 1.00 0.00 C ATOM 0 H VAL A 188 5.520 0.043 5.820 1.00 0.00 H new ATOM 0 HA VAL A 188 8.042 1.414 5.148 1.00 0.00 H new ATOM 0 HB VAL A 188 9.083 -0.792 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.363 0.316 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.547 1.459 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 188 8.039 1.435 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.888 -1.644 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.492 -0.617 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.979 -1.933 6.593 1.00 0.00 H new ATOM 2796 N SER A 189 8.502 -0.212 3.263 1.00 0.00 N ATOM 2797 CA SER A 189 8.607 -1.017 2.051 1.00 0.00 C ATOM 2798 C SER A 189 10.058 -1.355 1.730 1.00 0.00 C ATOM 2799 O SER A 189 10.982 -0.886 2.396 1.00 0.00 O ATOM 2800 CB SER A 189 7.976 -0.275 0.870 1.00 0.00 C ATOM 2801 OG SER A 189 8.714 0.890 0.546 1.00 0.00 O ATOM 0 H SER A 189 9.217 0.509 3.357 1.00 0.00 H new ATOM 0 HA SER A 189 8.071 -1.950 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.933 -0.935 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.949 -0.002 1.114 1.00 0.00 H new ATOM 0 HG SER A 189 8.291 1.345 -0.212 1.00 0.00 H new ATOM 2807 N TYR A 190 10.246 -2.173 0.700 1.00 0.00 N ATOM 2808 CA TYR A 190 11.578 -2.583 0.275 1.00 0.00 C ATOM 2809 C TYR A 190 11.624 -2.778 -1.237 1.00 0.00 C ATOM 2810 O TYR A 190 10.614 -3.112 -1.862 1.00 0.00 O ATOM 2811 CB TYR A 190 11.988 -3.874 0.983 1.00 0.00 C ATOM 2812 CG TYR A 190 10.955 -4.975 0.882 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.825 -4.968 1.690 1.00 0.00 C ATOM 2814 CD2 TYR A 190 11.109 -6.018 -0.022 1.00 0.00 C ATOM 2815 CE1 TYR A 190 8.879 -5.970 1.601 1.00 0.00 C ATOM 2816 CE2 TYR A 190 10.167 -7.024 -0.117 1.00 0.00 C ATOM 2817 CZ TYR A 190 9.054 -6.996 0.696 1.00 0.00 C ATOM 2818 OH TYR A 190 8.114 -7.997 0.604 1.00 0.00 O ATOM 0 H TYR A 190 9.488 -2.566 0.142 1.00 0.00 H new ATOM 0 HA TYR A 190 12.281 -1.794 0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.927 -4.229 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.175 -3.658 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 190 9.684 -4.166 2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 190 11.979 -6.043 -0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 190 8.006 -5.950 2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 190 10.302 -7.829 -0.825 1.00 0.00 H new ATOM 0 HH TYR A 190 8.388 -8.641 -0.082 1.00 0.00 H new ATOM 2828 N ARG A 191 12.799 -2.571 -1.821 1.00 0.00 N ATOM 2829 CA ARG A 191 12.979 -2.724 -3.260 1.00 0.00 C ATOM 2830 C ARG A 191 14.164 -3.633 -3.567 1.00 0.00 C ATOM 2831 O ARG A 191 15.106 -3.729 -2.782 1.00 0.00 O ATOM 2832 CB ARG A 191 13.185 -1.358 -3.917 1.00 0.00 C ATOM 2833 CG ARG A 191 14.453 -0.650 -3.466 1.00 0.00 C ATOM 2834 CD ARG A 191 14.762 0.551 -4.344 1.00 0.00 C ATOM 2835 NE ARG A 191 16.088 1.100 -4.075 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.368 1.895 -3.045 1.00 0.00 C ATOM 2837 NH1 ARG A 191 15.418 2.236 -2.184 1.00 0.00 N ATOM 2838 NH2 ARG A 191 17.602 2.351 -2.875 1.00 0.00 N ATOM 0 H ARG A 191 13.643 -2.296 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 191 12.078 -3.183 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.216 -1.486 -4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 191 12.326 -0.724 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.342 -0.327 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.290 -1.348 -3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 191 14.696 0.260 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 191 14.010 1.323 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 191 16.845 0.860 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 191 14.467 1.889 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 191 15.638 2.846 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 191 18.337 2.092 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 191 17.816 2.960 -2.086 1.00 0.00 H new