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 Single : A 18 THR OG1 : rot -130:sc= 0.634 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.375 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 :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 70 MET CE :methyl -144:sc= -0.452 (180deg=-1.8!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.4!) USER MOD Single : A 95 GLN : amide:sc= -3.46 K(o=-3.5,f=-6.9!) USER MOD Single : A 97 THR OG1 : rot -160:sc= -1.04 USER MOD Single : A 99 LYS NZ :NH3+ -140:sc= -0.218 (180deg=-1.39) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.939 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -112:sc= -1.94 (180deg=-6!) USER MOD Single : A 142 SER OG : rot 180:sc= -0.576 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 185 SER OG : rot 180:sc= -0.667 USER MOD Single : A 189 SER OG : rot 150:sc= -0.314 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.600 -3.322 -11.473 1.00 0.00 N ATOM 276 CA THR A 18 12.724 -3.413 -10.021 1.00 0.00 C ATOM 277 C THR A 18 11.398 -3.825 -9.388 1.00 0.00 C ATOM 278 O THR A 18 10.329 -3.588 -9.950 1.00 0.00 O ATOM 279 CB THR A 18 13.184 -2.075 -9.443 1.00 0.00 C ATOM 280 OG1 THR A 18 13.149 -2.102 -8.027 1.00 0.00 O ATOM 281 CG2 THR A 18 12.342 -0.903 -9.901 1.00 0.00 C ATOM 0 HA THR A 18 13.469 -4.175 -9.791 1.00 0.00 H new ATOM 0 HB THR A 18 14.201 -1.936 -9.811 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.669 -1.314 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.723 0.015 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.388 -0.824 -10.987 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.308 -1.055 -9.592 1.00 0.00 H new ATOM 289 N TRP A 19 11.477 -4.443 -8.213 1.00 0.00 N ATOM 290 CA TRP A 19 10.284 -4.888 -7.502 1.00 0.00 C ATOM 291 C TRP A 19 10.202 -4.243 -6.120 1.00 0.00 C ATOM 292 O TRP A 19 11.179 -4.228 -5.372 1.00 0.00 O ATOM 293 CB TRP A 19 10.287 -6.413 -7.366 1.00 0.00 C ATOM 294 CG TRP A 19 9.482 -7.106 -8.424 1.00 0.00 C ATOM 295 CD1 TRP A 19 9.149 -6.617 -9.655 1.00 0.00 C ATOM 296 CD2 TRP A 19 8.907 -8.415 -8.342 1.00 0.00 C ATOM 297 NE1 TRP A 19 8.402 -7.541 -10.342 1.00 0.00 N ATOM 298 CE2 TRP A 19 8.240 -8.654 -9.559 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.892 -9.408 -7.359 1.00 0.00 C ATOM 300 CZ2 TRP A 19 7.566 -9.846 -9.817 1.00 0.00 C ATOM 301 CZ3 TRP A 19 8.223 -10.591 -7.617 1.00 0.00 C ATOM 302 CH2 TRP A 19 7.569 -10.800 -8.837 1.00 0.00 C ATOM 0 H TRP A 19 12.354 -4.647 -7.734 1.00 0.00 H new ATOM 0 HA TRP A 19 9.411 -4.582 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 19 11.315 -6.772 -7.408 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.895 -6.684 -6.386 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.432 -5.646 -10.033 1.00 0.00 H new ATOM 0 HE1 TRP A 19 8.028 -7.419 -11.283 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.394 -9.255 -6.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.060 -10.011 -10.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.205 -11.366 -6.865 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.056 -11.735 -9.008 1.00 0.00 H new ATOM 313 N TYR A 20 9.029 -3.713 -5.789 1.00 0.00 N ATOM 314 CA TYR A 20 8.819 -3.069 -4.499 1.00 0.00 C ATOM 315 C TYR A 20 7.565 -3.607 -3.818 1.00 0.00 C ATOM 316 O TYR A 20 6.523 -3.772 -4.455 1.00 0.00 O ATOM 317 CB TYR A 20 8.705 -1.552 -4.675 1.00 0.00 C ATOM 318 CG TYR A 20 10.036 -0.864 -4.870 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.905 -0.673 -3.803 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.425 -0.402 -6.122 1.00 0.00 C ATOM 321 CE1 TYR A 20 12.123 -0.043 -3.977 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.641 0.229 -6.304 1.00 0.00 C ATOM 323 CZ TYR A 20 12.486 0.406 -5.230 1.00 0.00 C ATOM 324 OH TYR A 20 13.697 1.034 -5.407 1.00 0.00 O ATOM 0 H TYR A 20 8.210 -3.717 -6.397 1.00 0.00 H new ATOM 0 HA TYR A 20 9.678 -3.293 -3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.067 -1.341 -5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.212 -1.129 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.624 -1.023 -2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.766 -0.538 -6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.787 0.097 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.928 0.582 -7.284 1.00 0.00 H new ATOM 0 HH TYR A 20 13.800 1.287 -6.348 1.00 0.00 H new ATOM 334 N ALA A 21 7.670 -3.882 -2.523 1.00 0.00 N ATOM 335 CA ALA A 21 6.542 -4.403 -1.758 1.00 0.00 C ATOM 336 C ALA A 21 6.540 -3.856 -0.336 1.00 0.00 C ATOM 337 O ALA A 21 7.593 -3.707 0.283 1.00 0.00 O ATOM 338 CB ALA A 21 6.574 -5.924 -1.743 1.00 0.00 C ATOM 0 H ALA A 21 8.524 -3.753 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 21 5.623 -4.074 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.727 -6.300 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.515 -6.299 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.503 -6.264 -1.285 1.00 0.00 H new ATOM 344 N GLY A 22 5.350 -3.561 0.179 1.00 0.00 N ATOM 345 CA GLY A 22 5.236 -3.035 1.526 1.00 0.00 C ATOM 346 C GLY A 22 3.795 -2.827 1.950 1.00 0.00 C ATOM 347 O GLY A 22 2.870 -3.227 1.243 1.00 0.00 O ATOM 0 H GLY A 22 4.464 -3.677 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.720 -3.720 2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.770 -2.087 1.588 1.00 0.00 H new ATOM 351 N GLY A 23 3.605 -2.198 3.106 1.00 0.00 N ATOM 352 CA GLY A 23 2.263 -1.948 3.603 1.00 0.00 C ATOM 353 C GLY A 23 2.167 -0.654 4.386 1.00 0.00 C ATOM 354 O GLY A 23 3.129 -0.241 5.036 1.00 0.00 O ATOM 0 H GLY A 23 4.355 -1.857 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.568 -1.914 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.954 -2.778 4.239 1.00 0.00 H new ATOM 358 N LYS A 24 1.005 -0.009 4.322 1.00 0.00 N ATOM 359 CA LYS A 24 0.792 1.248 5.030 1.00 0.00 C ATOM 360 C LYS A 24 -0.555 1.258 5.748 1.00 0.00 C ATOM 361 O LYS A 24 -1.500 0.591 5.329 1.00 0.00 O ATOM 362 CB LYS A 24 0.870 2.424 4.055 1.00 0.00 C ATOM 363 CG LYS A 24 0.040 2.228 2.797 1.00 0.00 C ATOM 364 CD LYS A 24 -1.359 2.797 2.960 1.00 0.00 C ATOM 365 CE LYS A 24 -2.217 2.536 1.730 1.00 0.00 C ATOM 366 NZ LYS A 24 -3.173 1.415 1.949 1.00 0.00 N ATOM 0 H LYS A 24 0.199 -0.336 3.789 1.00 0.00 H new ATOM 0 HA LYS A 24 1.578 1.347 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.536 3.329 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.911 2.582 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.535 2.711 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.023 1.165 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.833 2.354 3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.297 3.870 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.770 3.440 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.574 2.304 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.739 1.268 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.645 0.546 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.804 1.647 2.743 1.00 0.00 H new ATOM 380 N LEU A 25 -0.631 2.027 6.829 1.00 0.00 N ATOM 381 CA LEU A 25 -1.857 2.139 7.611 1.00 0.00 C ATOM 382 C LEU A 25 -2.201 3.606 7.856 1.00 0.00 C ATOM 383 O LEU A 25 -1.313 4.452 7.952 1.00 0.00 O ATOM 384 CB LEU A 25 -1.708 1.405 8.948 1.00 0.00 C ATOM 385 CG LEU A 25 -2.975 1.357 9.810 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.434 -0.080 10.016 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.740 2.037 11.151 1.00 0.00 C ATOM 0 H LEU A 25 0.146 2.584 7.185 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.667 1.678 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.384 0.383 8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.915 1.885 9.522 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.762 1.897 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.334 -0.090 10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.649 -0.535 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.647 -0.645 10.516 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.652 1.992 11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.935 1.528 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.465 3.079 10.987 1.00 0.00 H new ATOM 399 N GLY A 26 -3.494 3.900 7.951 1.00 0.00 N ATOM 400 CA GLY A 26 -3.925 5.268 8.181 1.00 0.00 C ATOM 401 C GLY A 26 -5.369 5.360 8.635 1.00 0.00 C ATOM 402 O GLY A 26 -5.968 4.359 9.028 1.00 0.00 O ATOM 0 H GLY A 26 -4.249 3.219 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.282 5.725 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.800 5.843 7.263 1.00 0.00 H new ATOM 799 N GLY A 53 -7.531 1.928 9.129 1.00 0.00 N ATOM 800 CA GLY A 53 -7.402 0.715 8.342 1.00 0.00 C ATOM 801 C GLY A 53 -6.004 0.532 7.785 1.00 0.00 C ATOM 802 O GLY A 53 -5.240 1.493 7.675 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.659 -0.145 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.117 0.741 7.520 1.00 0.00 H new ATOM 806 N ALA A 54 -5.668 -0.706 7.432 1.00 0.00 N ATOM 807 CA ALA A 54 -4.353 -1.013 6.882 1.00 0.00 C ATOM 808 C ALA A 54 -4.467 -1.524 5.452 1.00 0.00 C ATOM 809 O ALA A 54 -5.536 -1.960 5.022 1.00 0.00 O ATOM 810 CB ALA A 54 -3.640 -2.035 7.757 1.00 0.00 C ATOM 0 H ALA A 54 -6.288 -1.511 7.517 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.766 -0.094 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.660 -2.255 7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.520 -1.632 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.230 -2.951 7.801 1.00 0.00 H new ATOM 816 N GLY A 55 -3.363 -1.470 4.716 1.00 0.00 N ATOM 817 CA GLY A 55 -3.370 -1.933 3.342 1.00 0.00 C ATOM 818 C GLY A 55 -1.975 -2.161 2.795 1.00 0.00 C ATOM 819 O GLY A 55 -1.035 -1.454 3.155 1.00 0.00 O ATOM 0 H GLY A 55 -2.465 -1.115 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.937 -2.862 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.885 -1.202 2.719 1.00 0.00 H new ATOM 823 N ALA A 56 -1.845 -3.153 1.920 1.00 0.00 N ATOM 824 CA ALA A 56 -0.558 -3.476 1.317 1.00 0.00 C ATOM 825 C ALA A 56 -0.415 -2.812 -0.048 1.00 0.00 C ATOM 826 O ALA A 56 -1.405 -2.411 -0.659 1.00 0.00 O ATOM 827 CB ALA A 56 -0.396 -4.984 1.197 1.00 0.00 C ATOM 0 H ALA A 56 -2.615 -3.747 1.613 1.00 0.00 H new ATOM 0 HA ALA A 56 0.230 -3.090 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.569 -5.211 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.448 -5.436 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.193 -5.387 0.572 1.00 0.00 H new ATOM 833 N PHE A 57 0.821 -2.698 -0.520 1.00 0.00 N ATOM 834 CA PHE A 57 1.089 -2.081 -1.813 1.00 0.00 C ATOM 835 C PHE A 57 2.357 -2.653 -2.439 1.00 0.00 C ATOM 836 O PHE A 57 3.353 -2.881 -1.752 1.00 0.00 O ATOM 837 CB PHE A 57 1.219 -0.565 -1.661 1.00 0.00 C ATOM 838 CG PHE A 57 2.312 -0.148 -0.718 1.00 0.00 C ATOM 839 CD1 PHE A 57 3.641 -0.224 -1.101 1.00 0.00 C ATOM 840 CD2 PHE A 57 2.009 0.320 0.550 1.00 0.00 C ATOM 841 CE1 PHE A 57 4.649 0.158 -0.236 1.00 0.00 C ATOM 842 CE2 PHE A 57 3.012 0.704 1.421 1.00 0.00 C ATOM 843 CZ PHE A 57 4.333 0.622 1.026 1.00 0.00 C ATOM 0 H PHE A 57 1.652 -3.024 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 57 0.250 -2.302 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.407 -0.125 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.271 -0.161 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.892 -0.586 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.977 0.386 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.682 0.094 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.763 1.067 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.119 0.921 1.704 1.00 0.00 H new ATOM 853 N GLY A 58 2.311 -2.879 -3.748 1.00 0.00 N ATOM 854 CA GLY A 58 3.460 -3.418 -4.450 1.00 0.00 C ATOM 855 C GLY A 58 3.716 -2.710 -5.765 1.00 0.00 C ATOM 856 O GLY A 58 2.829 -2.623 -6.613 1.00 0.00 O ATOM 0 H GLY A 58 1.497 -2.698 -4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.343 -3.333 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.303 -4.480 -4.637 1.00 0.00 H new ATOM 860 N GLY A 59 4.933 -2.202 -5.934 1.00 0.00 N ATOM 861 CA GLY A 59 5.278 -1.504 -7.157 1.00 0.00 C ATOM 862 C GLY A 59 6.019 -2.386 -8.141 1.00 0.00 C ATOM 863 O GLY A 59 6.995 -3.047 -7.783 1.00 0.00 O ATOM 0 H GLY A 59 5.684 -2.262 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.369 -1.128 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.894 -0.638 -6.915 1.00 0.00 H new ATOM 867 N TYR A 60 5.552 -2.398 -9.386 1.00 0.00 N ATOM 868 CA TYR A 60 6.175 -3.206 -10.429 1.00 0.00 C ATOM 869 C TYR A 60 6.463 -2.362 -11.667 1.00 0.00 C ATOM 870 O TYR A 60 5.545 -1.944 -12.373 1.00 0.00 O ATOM 871 CB TYR A 60 5.272 -4.384 -10.798 1.00 0.00 C ATOM 872 CG TYR A 60 4.862 -5.230 -9.612 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.790 -5.603 -8.647 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.549 -5.657 -9.460 1.00 0.00 C ATOM 875 CE1 TYR A 60 5.421 -6.376 -7.563 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.172 -6.430 -8.379 1.00 0.00 C ATOM 877 CZ TYR A 60 4.112 -6.787 -7.434 1.00 0.00 C ATOM 878 OH TYR A 60 3.739 -7.557 -6.356 1.00 0.00 O ATOM 0 H TYR A 60 4.745 -1.858 -9.697 1.00 0.00 H new ATOM 0 HA TYR A 60 7.120 -3.590 -10.044 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.376 -4.004 -11.289 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.789 -5.014 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.817 -5.283 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.811 -5.380 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.154 -6.656 -6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.147 -6.753 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 60 2.782 -7.760 -6.415 1.00 0.00 H new ATOM 888 N GLN A 61 7.743 -2.115 -11.924 1.00 0.00 N ATOM 889 CA GLN A 61 8.151 -1.320 -13.077 1.00 0.00 C ATOM 890 C GLN A 61 8.360 -2.207 -14.300 1.00 0.00 C ATOM 891 O GLN A 61 8.949 -3.283 -14.206 1.00 0.00 O ATOM 892 CB GLN A 61 9.434 -0.549 -12.763 1.00 0.00 C ATOM 893 CG GLN A 61 9.393 0.904 -13.205 1.00 0.00 C ATOM 894 CD GLN A 61 9.159 1.859 -12.050 1.00 0.00 C ATOM 895 OE1 GLN A 61 7.925 2.328 -11.912 1.00 0.00 O flip ATOM 896 NE2 GLN A 61 10.076 2.170 -11.291 1.00 0.00 N flip ATOM 0 H GLN A 61 8.515 -2.453 -11.350 1.00 0.00 H new ATOM 0 HA GLN A 61 7.355 -0.609 -13.299 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.618 -0.589 -11.689 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.274 -1.045 -13.249 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.333 1.157 -13.696 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.602 1.033 -13.944 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.010 1.785 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.903 2.813 -10.518 1.00 0.00 H new ATOM 970 N LEU A 66 6.549 4.496 -15.992 1.00 0.00 N ATOM 971 CA LEU A 66 5.691 4.218 -14.845 1.00 0.00 C ATOM 972 C LEU A 66 5.558 2.717 -14.610 1.00 0.00 C ATOM 973 O LEU A 66 5.878 1.914 -15.486 1.00 0.00 O ATOM 974 CB LEU A 66 4.308 4.835 -15.060 1.00 0.00 C ATOM 975 CG LEU A 66 3.722 4.629 -16.460 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.329 4.021 -16.376 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.686 5.945 -17.224 1.00 0.00 C ATOM 0 HA LEU A 66 6.151 4.664 -13.963 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.620 4.413 -14.328 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.368 5.905 -14.861 1.00 0.00 H new ATOM 0 HG LEU A 66 4.366 3.935 -17.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.931 3.883 -17.381 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.383 3.056 -15.871 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.674 4.688 -15.815 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.267 5.778 -18.216 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.067 6.662 -16.684 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.698 6.338 -17.319 1.00 0.00 H new ATOM 989 N GLY A 67 5.084 2.348 -13.424 1.00 0.00 N ATOM 990 CA GLY A 67 4.917 0.944 -13.100 1.00 0.00 C ATOM 991 C GLY A 67 3.535 0.634 -12.560 1.00 0.00 C ATOM 992 O GLY A 67 2.792 1.539 -12.180 1.00 0.00 O ATOM 0 H GLY A 67 4.813 2.995 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.098 0.344 -13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.665 0.653 -12.363 1.00 0.00 H new ATOM 996 N PHE A 68 3.188 -0.650 -12.523 1.00 0.00 N ATOM 997 CA PHE A 68 1.887 -1.076 -12.022 1.00 0.00 C ATOM 998 C PHE A 68 1.895 -1.147 -10.500 1.00 0.00 C ATOM 999 O PHE A 68 2.813 -1.708 -9.900 1.00 0.00 O ATOM 1000 CB PHE A 68 1.512 -2.439 -12.608 1.00 0.00 C ATOM 1001 CG PHE A 68 1.197 -2.396 -14.076 1.00 0.00 C ATOM 1002 CD1 PHE A 68 2.212 -2.290 -15.013 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.115 -2.460 -14.519 1.00 0.00 C ATOM 1004 CE1 PHE A 68 1.926 -2.250 -16.364 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -0.408 -2.420 -15.868 1.00 0.00 C ATOM 1006 CZ PHE A 68 0.613 -2.315 -16.792 1.00 0.00 C ATOM 0 H PHE A 68 3.790 -1.412 -12.834 1.00 0.00 H new ATOM 0 HA PHE A 68 1.144 -0.341 -12.332 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.334 -3.135 -12.441 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.648 -2.831 -12.071 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.239 -2.238 -14.683 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.917 -2.542 -13.801 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.726 -2.168 -17.084 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.434 -2.471 -16.200 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.386 -2.284 -17.847 1.00 0.00 H new ATOM 1016 N GLU A 69 0.870 -0.573 -9.878 1.00 0.00 N ATOM 1017 CA GLU A 69 0.767 -0.568 -8.426 1.00 0.00 C ATOM 1018 C GLU A 69 -0.394 -1.433 -7.954 1.00 0.00 C ATOM 1019 O GLU A 69 -1.557 -1.138 -8.232 1.00 0.00 O ATOM 1020 CB GLU A 69 0.590 0.862 -7.913 1.00 0.00 C ATOM 1021 CG GLU A 69 0.867 1.012 -6.426 1.00 0.00 C ATOM 1022 CD GLU A 69 2.348 1.051 -6.109 1.00 0.00 C ATOM 1023 OE1 GLU A 69 3.150 0.615 -6.961 1.00 0.00 O ATOM 1024 OE2 GLU A 69 2.708 1.519 -5.008 1.00 0.00 O ATOM 0 H GLU A 69 0.100 -0.106 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 69 1.691 -0.984 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.256 1.523 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.429 1.190 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.398 1.927 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.406 0.183 -5.889 1.00 0.00 H new ATOM 1031 N MET A 70 -0.069 -2.497 -7.229 1.00 0.00 N ATOM 1032 CA MET A 70 -1.080 -3.404 -6.703 1.00 0.00 C ATOM 1033 C MET A 70 -1.252 -3.187 -5.204 1.00 0.00 C ATOM 1034 O MET A 70 -0.328 -3.417 -4.424 1.00 0.00 O ATOM 1035 CB MET A 70 -0.692 -4.857 -6.984 1.00 0.00 C ATOM 1036 CG MET A 70 -1.868 -5.733 -7.388 1.00 0.00 C ATOM 1037 SD MET A 70 -1.492 -6.803 -8.791 1.00 0.00 S ATOM 1038 CE MET A 70 -0.921 -5.602 -9.990 1.00 0.00 C ATOM 0 H MET A 70 0.890 -2.753 -6.992 1.00 0.00 H new ATOM 0 HA MET A 70 -2.027 -3.195 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.055 -4.878 -7.777 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.224 -5.278 -6.094 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.167 -6.347 -6.538 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.719 -5.099 -7.638 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.245 -5.901 -10.987 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.337 -4.623 -9.751 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.167 -5.550 -9.963 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.436 -2.735 -4.807 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.697 -2.486 -3.401 1.00 0.00 C ATOM 1050 C GLY A 71 -3.666 -3.481 -2.799 1.00 0.00 C ATOM 1051 O GLY A 71 -4.455 -4.102 -3.511 1.00 0.00 O ATOM 0 H GLY A 71 -3.218 -2.537 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.757 -2.522 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.097 -1.479 -3.283 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.606 -3.631 -1.480 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.484 -4.555 -0.773 1.00 0.00 C ATOM 1057 C TYR A 72 -5.176 -3.857 0.391 1.00 0.00 C ATOM 1058 O TYR A 72 -4.527 -3.208 1.211 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.690 -5.759 -0.263 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.472 -6.828 -1.309 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -2.390 -6.764 -2.180 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -4.346 -7.901 -1.426 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -2.187 -7.741 -3.137 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -4.149 -8.880 -2.381 1.00 0.00 C ATOM 1065 CZ TYR A 72 -3.070 -8.795 -3.234 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.870 -9.768 -4.185 1.00 0.00 O ATOM 0 H TYR A 72 -2.957 -3.123 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.245 -4.903 -1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.722 -5.417 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.214 -6.196 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.697 -5.938 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.193 -7.971 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.341 -7.679 -3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.838 -9.708 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.580 -10.440 -4.120 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.496 -3.997 0.462 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.273 -3.377 1.529 1.00 0.00 C ATOM 1078 C ASP A 73 -7.527 -4.369 2.659 1.00 0.00 C ATOM 1079 O ASP A 73 -8.123 -5.428 2.448 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.602 -2.849 0.986 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.961 -1.492 1.555 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.097 -0.590 1.529 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -10.106 -1.329 2.027 1.00 0.00 O ATOM 0 H ASP A 73 -7.049 -4.534 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.697 -2.540 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.546 -2.781 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.395 -3.559 1.220 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.069 -4.017 3.858 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.240 -4.871 5.028 1.00 0.00 C ATOM 1090 C TRP A 74 -7.657 -4.047 6.244 1.00 0.00 C ATOM 1091 O TRP A 74 -6.926 -3.158 6.687 1.00 0.00 O ATOM 1092 CB TRP A 74 -5.942 -5.624 5.327 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.161 -7.005 5.868 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.259 -7.797 5.681 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.257 -7.758 6.686 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.092 -8.995 6.334 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -5.872 -8.995 6.958 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -3.988 -7.506 7.214 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -5.259 -9.976 7.733 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.381 -8.481 7.983 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -4.017 -9.703 8.237 1.00 0.00 C ATOM 0 H TRP A 74 -6.576 -3.144 4.044 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.029 -5.592 4.812 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.351 -5.690 4.413 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.356 -5.050 6.045 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.130 -7.522 5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.767 -9.760 6.351 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.490 -6.566 7.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.747 -10.919 7.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.400 -8.298 8.395 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.517 -10.444 8.843 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.000 -9.694 1.037 1.00 0.00 N ATOM 1362 CA GLN A 92 -9.773 -8.909 0.936 1.00 0.00 C ATOM 1363 C GLN A 92 -9.884 -7.885 -0.185 1.00 0.00 C ATOM 1364 O GLN A 92 -10.412 -8.179 -1.258 1.00 0.00 O ATOM 1365 CB GLN A 92 -8.572 -9.826 0.690 1.00 0.00 C ATOM 1366 CG GLN A 92 -7.241 -9.192 1.057 1.00 0.00 C ATOM 1367 CD GLN A 92 -6.197 -10.220 1.449 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -6.506 -11.397 1.633 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -4.951 -9.778 1.579 1.00 0.00 N ATOM 0 HA GLN A 92 -9.626 -8.381 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.700 -10.742 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.552 -10.111 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.874 -8.610 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.389 -8.496 1.883 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.740 -8.793 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.206 -10.423 1.841 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.388 -6.678 0.066 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.451 -5.632 -0.937 1.00 0.00 C ATOM 1380 C GLY A 93 -8.305 -5.701 -1.928 1.00 0.00 C ATOM 1381 O GLY A 93 -7.168 -5.988 -1.556 1.00 0.00 O ATOM 0 H GLY A 93 -8.945 -6.406 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.396 -5.707 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.441 -4.660 -0.444 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.608 -5.428 -3.193 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.600 -5.448 -4.249 1.00 0.00 C ATOM 1387 C VAL A 94 -7.616 -4.133 -5.021 1.00 0.00 C ATOM 1388 O VAL A 94 -8.640 -3.747 -5.586 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.816 -6.620 -5.232 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -6.993 -7.828 -4.812 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.291 -6.985 -5.333 1.00 0.00 C ATOM 0 H VAL A 94 -9.547 -5.189 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.632 -5.583 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.481 -6.299 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.158 -8.643 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.936 -7.563 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.295 -8.144 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.414 -7.813 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.661 -7.281 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.856 -6.123 -5.689 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.481 -3.441 -5.030 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.376 -2.160 -5.720 1.00 0.00 C ATOM 1403 C GLN A 95 -5.519 -2.262 -6.977 1.00 0.00 C ATOM 1404 O GLN A 95 -4.447 -2.870 -6.968 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.791 -1.102 -4.782 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.699 -0.756 -3.614 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.606 -1.762 -2.484 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.684 -1.713 -1.668 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -7.561 -2.681 -2.429 1.00 0.00 N ATOM 0 H GLN A 95 -5.623 -3.745 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.382 -1.868 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.836 -1.459 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.586 -0.196 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.439 0.233 -3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.730 -0.703 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.306 -2.685 -3.126 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.550 -3.384 -1.690 1.00 0.00 H new ATOM 1418 N LEU A 96 -6.000 -1.645 -8.053 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.291 -1.638 -9.326 1.00 0.00 C ATOM 1420 C LEU A 96 -5.027 -0.199 -9.756 1.00 0.00 C ATOM 1421 O LEU A 96 -5.948 0.513 -10.157 1.00 0.00 O ATOM 1422 CB LEU A 96 -6.112 -2.374 -10.391 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.624 -2.204 -11.833 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.625 -3.542 -12.558 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.493 -1.199 -12.575 1.00 0.00 C ATOM 0 H LEU A 96 -6.886 -1.140 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.337 -2.153 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.117 -3.437 -10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.144 -2.029 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.602 -1.825 -11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.275 -3.402 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.963 -4.237 -12.040 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.637 -3.947 -12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.132 -1.091 -13.598 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.525 -1.551 -12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.446 -0.234 -12.070 1.00 0.00 H new ATOM 1437 N THR A 97 -3.773 0.238 -9.651 1.00 0.00 N ATOM 1438 CA THR A 97 -3.424 1.607 -10.012 1.00 0.00 C ATOM 1439 C THR A 97 -2.031 1.689 -10.625 1.00 0.00 C ATOM 1440 O THR A 97 -1.256 0.736 -10.568 1.00 0.00 O ATOM 1441 CB THR A 97 -3.489 2.504 -8.774 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.330 2.340 -7.977 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.689 2.232 -7.892 1.00 0.00 C ATOM 0 H THR A 97 -2.992 -0.330 -9.323 1.00 0.00 H new ATOM 0 HA THR A 97 -4.143 1.947 -10.757 1.00 0.00 H new ATOM 0 HB THR A 97 -3.568 3.520 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.512 2.654 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.670 2.904 -7.034 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.604 2.396 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.659 1.199 -7.544 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.720 2.849 -11.194 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.418 3.083 -11.805 1.00 0.00 C ATOM 1453 C ALA A 98 0.421 3.987 -10.913 1.00 0.00 C ATOM 1454 O ALA A 98 0.010 5.101 -10.585 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.580 3.695 -13.188 1.00 0.00 C ATOM 0 H ALA A 98 -2.356 3.645 -11.244 1.00 0.00 H new ATOM 0 HA ALA A 98 0.095 2.128 -11.915 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.403 3.863 -13.629 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.151 3.016 -13.822 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.108 4.645 -13.106 1.00 0.00 H new ATOM 1461 N LYS A 99 1.589 3.500 -10.506 1.00 0.00 N ATOM 1462 CA LYS A 99 2.467 4.267 -9.633 1.00 0.00 C ATOM 1463 C LYS A 99 3.772 4.646 -10.329 1.00 0.00 C ATOM 1464 O LYS A 99 4.432 3.808 -10.946 1.00 0.00 O ATOM 1465 CB LYS A 99 2.770 3.475 -8.360 1.00 0.00 C ATOM 1466 CG LYS A 99 3.722 4.186 -7.410 1.00 0.00 C ATOM 1467 CD LYS A 99 5.148 3.680 -7.568 1.00 0.00 C ATOM 1468 CE LYS A 99 5.693 3.123 -6.261 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.490 1.885 -6.475 1.00 0.00 N ATOM 0 H LYS A 99 1.947 2.581 -10.766 1.00 0.00 H new ATOM 0 HA LYS A 99 1.946 5.189 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.835 3.271 -7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.198 2.511 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.692 5.259 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.393 4.034 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.177 2.905 -8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.787 4.493 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.315 3.876 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.866 2.910 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.283 1.204 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.242 1.467 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.503 2.118 -6.463 1.00 0.00 H new ATOM 1483 N LEU A 100 4.138 5.917 -10.206 1.00 0.00 N ATOM 1484 CA LEU A 100 5.368 6.430 -10.796 1.00 0.00 C ATOM 1485 C LEU A 100 6.196 7.139 -9.730 1.00 0.00 C ATOM 1486 O LEU A 100 5.692 8.010 -9.020 1.00 0.00 O ATOM 1487 CB LEU A 100 5.052 7.391 -11.944 1.00 0.00 C ATOM 1488 CG LEU A 100 4.337 8.679 -11.532 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.339 9.804 -11.326 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.301 9.072 -12.576 1.00 0.00 C ATOM 0 H LEU A 100 3.595 6.616 -9.699 1.00 0.00 H new ATOM 0 HA LEU A 100 5.941 5.593 -11.195 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.984 7.655 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.435 6.869 -12.675 1.00 0.00 H new ATOM 0 HG LEU A 100 3.823 8.499 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.812 10.712 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.043 9.525 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.881 9.983 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.802 9.990 -12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.794 9.232 -13.535 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.564 8.275 -12.675 1.00 0.00 H new ATOM 1502 N GLY A 101 7.462 6.752 -9.604 1.00 0.00 N ATOM 1503 CA GLY A 101 8.321 7.359 -8.604 1.00 0.00 C ATOM 1504 C GLY A 101 9.540 8.038 -9.193 1.00 0.00 C ATOM 1505 O GLY A 101 9.712 8.085 -10.411 1.00 0.00 O ATOM 0 H GLY A 101 7.906 6.032 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.745 8.090 -8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.645 6.592 -7.900 1.00 0.00 H new ATOM 1509 N TYR A 102 10.390 8.567 -8.317 1.00 0.00 N ATOM 1510 CA TYR A 102 11.608 9.254 -8.736 1.00 0.00 C ATOM 1511 C TYR A 102 12.553 9.454 -7.549 1.00 0.00 C ATOM 1512 O TYR A 102 12.173 10.053 -6.543 1.00 0.00 O ATOM 1513 CB TYR A 102 11.262 10.607 -9.359 1.00 0.00 C ATOM 1514 CG TYR A 102 12.438 11.287 -10.024 1.00 0.00 C ATOM 1515 CD1 TYR A 102 13.185 10.633 -10.995 1.00 0.00 C ATOM 1516 CD2 TYR A 102 12.799 12.584 -9.680 1.00 0.00 C ATOM 1517 CE1 TYR A 102 14.260 11.253 -11.605 1.00 0.00 C ATOM 1518 CE2 TYR A 102 13.873 13.208 -10.285 1.00 0.00 C ATOM 1519 CZ TYR A 102 14.600 12.540 -11.246 1.00 0.00 C ATOM 1520 OH TYR A 102 15.670 13.158 -11.851 1.00 0.00 O ATOM 0 H TYR A 102 10.256 8.532 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 102 12.111 8.636 -9.480 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.471 10.467 -10.095 1.00 0.00 H new ATOM 0 HB3 TYR A 102 10.864 11.263 -8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 102 12.922 9.624 -11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 102 12.231 13.112 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 102 14.831 10.731 -12.359 1.00 0.00 H new ATOM 0 HE2 TYR A 102 14.142 14.216 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 102 15.775 14.061 -11.486 1.00 0.00 H new ATOM 1530 N PRO A 103 13.799 8.952 -7.646 1.00 0.00 N ATOM 1531 CA PRO A 103 14.786 9.082 -6.569 1.00 0.00 C ATOM 1532 C PRO A 103 15.422 10.466 -6.519 1.00 0.00 C ATOM 1533 O PRO A 103 15.388 11.213 -7.496 1.00 0.00 O ATOM 1534 CB PRO A 103 15.828 8.028 -6.932 1.00 0.00 C ATOM 1535 CG PRO A 103 15.775 7.947 -8.417 1.00 0.00 C ATOM 1536 CD PRO A 103 14.345 8.217 -8.804 1.00 0.00 C ATOM 0 HA PRO A 103 14.338 8.947 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.821 8.315 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.596 7.067 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.445 8.677 -8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.093 6.964 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.283 8.808 -9.718 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.798 7.292 -8.984 1.00 0.00 H new ATOM 1601 N LEU A 108 16.145 8.943 -0.856 1.00 0.00 N ATOM 1602 CA LEU A 108 14.929 9.741 -0.739 1.00 0.00 C ATOM 1603 C LEU A 108 14.252 9.869 -2.098 1.00 0.00 C ATOM 1604 O LEU A 108 14.720 10.603 -2.968 1.00 0.00 O ATOM 1605 CB LEU A 108 15.243 11.132 -0.171 1.00 0.00 C ATOM 1606 CG LEU A 108 16.732 11.477 -0.061 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.922 12.977 0.105 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.368 10.727 1.099 1.00 0.00 C ATOM 0 HA LEU A 108 14.251 9.235 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.760 11.880 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.795 11.211 0.820 1.00 0.00 H new ATOM 0 HG LEU A 108 17.226 11.169 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.986 13.203 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.502 13.495 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.414 13.310 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.425 10.984 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.871 11.005 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.264 9.654 0.939 1.00 0.00 H new ATOM 1620 N ASP A 109 13.157 9.139 -2.284 1.00 0.00 N ATOM 1621 CA ASP A 109 12.434 9.166 -3.551 1.00 0.00 C ATOM 1622 C ASP A 109 10.960 9.498 -3.345 1.00 0.00 C ATOM 1623 O ASP A 109 10.435 9.397 -2.236 1.00 0.00 O ATOM 1624 CB ASP A 109 12.556 7.816 -4.268 1.00 0.00 C ATOM 1625 CG ASP A 109 13.850 7.090 -3.947 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.875 7.770 -3.730 1.00 0.00 O ATOM 1627 OD2 ASP A 109 13.837 5.842 -3.912 1.00 0.00 O ATOM 0 H ASP A 109 12.752 8.524 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 109 12.883 9.947 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.712 7.185 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.492 7.975 -5.344 1.00 0.00 H new ATOM 1632 N ILE A 110 10.298 9.884 -4.431 1.00 0.00 N ATOM 1633 CA ILE A 110 8.881 10.220 -4.393 1.00 0.00 C ATOM 1634 C ILE A 110 8.078 9.225 -5.223 1.00 0.00 C ATOM 1635 O ILE A 110 8.632 8.550 -6.092 1.00 0.00 O ATOM 1636 CB ILE A 110 8.624 11.646 -4.924 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.074 11.763 -6.384 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.337 12.675 -4.058 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.064 12.455 -7.273 1.00 0.00 C ATOM 0 H ILE A 110 10.724 9.972 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 110 8.563 10.174 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 110 7.553 11.844 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.016 12.310 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.269 10.765 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.144 13.675 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.968 12.607 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.410 12.481 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.448 12.503 -8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.128 11.896 -7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.887 13.465 -6.904 1.00 0.00 H new ATOM 1651 N TYR A 111 6.780 9.124 -4.954 1.00 0.00 N ATOM 1652 CA TYR A 111 5.932 8.194 -5.690 1.00 0.00 C ATOM 1653 C TYR A 111 4.469 8.626 -5.663 1.00 0.00 C ATOM 1654 O TYR A 111 3.954 9.058 -4.632 1.00 0.00 O ATOM 1655 CB TYR A 111 6.069 6.785 -5.110 1.00 0.00 C ATOM 1656 CG TYR A 111 5.543 6.653 -3.699 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.209 6.344 -3.461 1.00 0.00 C ATOM 1658 CD2 TYR A 111 6.379 6.837 -2.605 1.00 0.00 C ATOM 1659 CE1 TYR A 111 3.724 6.221 -2.172 1.00 0.00 C ATOM 1660 CE2 TYR A 111 5.901 6.716 -1.314 1.00 0.00 C ATOM 1661 CZ TYR A 111 4.575 6.408 -1.102 1.00 0.00 C ATOM 1662 OH TYR A 111 4.095 6.288 0.182 1.00 0.00 O ATOM 0 H TYR A 111 6.297 9.669 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 111 6.263 8.194 -6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.537 6.084 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.120 6.497 -5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.540 6.198 -4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.419 7.079 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.685 5.980 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.564 6.862 -0.474 1.00 0.00 H new ATOM 0 HH TYR A 111 3.355 5.645 0.196 1.00 0.00 H new ATOM 1672 N THR A 112 3.806 8.491 -6.807 1.00 0.00 N ATOM 1673 CA THR A 112 2.397 8.851 -6.927 1.00 0.00 C ATOM 1674 C THR A 112 1.627 7.741 -7.637 1.00 0.00 C ATOM 1675 O THR A 112 2.008 7.307 -8.722 1.00 0.00 O ATOM 1676 CB THR A 112 2.242 10.168 -7.689 1.00 0.00 C ATOM 1677 OG1 THR A 112 0.885 10.394 -8.028 1.00 0.00 O ATOM 1678 CG2 THR A 112 3.051 10.223 -8.967 1.00 0.00 C ATOM 0 H THR A 112 4.223 8.134 -7.667 1.00 0.00 H new ATOM 0 HA THR A 112 1.988 8.979 -5.925 1.00 0.00 H new ATOM 0 HB THR A 112 2.614 10.937 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 112 0.806 11.242 -8.513 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.894 11.184 -9.456 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.109 10.103 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.734 9.421 -9.633 1.00 0.00 H new ATOM 1686 N ARG A 113 0.549 7.279 -7.012 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.264 6.209 -7.583 1.00 0.00 C ATOM 1688 C ARG A 113 -1.690 6.676 -7.852 1.00 0.00 C ATOM 1689 O ARG A 113 -2.342 7.252 -6.982 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.282 5.002 -6.642 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.412 5.375 -5.175 1.00 0.00 C ATOM 1692 CD ARG A 113 -1.040 4.255 -4.361 1.00 0.00 C ATOM 1693 NE ARG A 113 -0.117 3.729 -3.356 1.00 0.00 N ATOM 1694 CZ ARG A 113 -0.498 3.241 -2.177 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -1.785 3.193 -1.848 1.00 0.00 N ATOM 1696 NH2 ARG A 113 0.412 2.793 -1.323 1.00 0.00 N ATOM 0 H ARG A 113 0.218 7.627 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 113 0.184 5.922 -8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.111 4.350 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.634 4.429 -6.783 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.573 5.610 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.018 6.276 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.940 4.624 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.348 3.450 -5.028 1.00 0.00 H new ATOM 0 HE ARG A 113 0.880 3.736 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.491 3.532 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.066 2.817 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.401 2.823 -1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 113 0.123 2.419 -0.419 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.170 6.411 -9.065 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.524 6.790 -9.460 1.00 0.00 C ATOM 1712 C LEU A 114 -4.239 5.610 -10.111 1.00 0.00 C ATOM 1713 O LEU A 114 -3.759 5.050 -11.096 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.481 7.980 -10.427 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.837 8.399 -11.005 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.888 9.905 -11.214 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -5.105 7.671 -12.315 1.00 0.00 C ATOM 0 H LEU A 114 -1.639 5.934 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.076 7.082 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.045 8.834 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.813 7.734 -11.252 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.614 8.125 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.859 10.183 -11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.740 10.410 -10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.102 10.203 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.072 7.980 -12.712 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.323 7.915 -13.034 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.112 6.595 -12.139 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.385 5.230 -9.551 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.137 4.112 -10.093 1.00 0.00 C ATOM 1731 C GLY A 115 -7.454 3.891 -9.372 1.00 0.00 C ATOM 1732 O GLY A 115 -8.144 4.848 -9.023 1.00 0.00 O ATOM 0 H GLY A 115 -5.805 5.675 -8.735 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.331 4.288 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.534 3.207 -10.026 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.805 2.626 -9.151 1.00 0.00 N ATOM 1737 CA GLY A 116 -9.049 2.316 -8.472 1.00 0.00 C ATOM 1738 C GLY A 116 -8.907 1.188 -7.471 1.00 0.00 C ATOM 1739 O GLY A 116 -7.934 0.434 -7.506 1.00 0.00 O ATOM 0 H GLY A 116 -7.252 1.815 -9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.409 3.208 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.804 2.047 -9.211 1.00 0.00 H new ATOM 1743 N MET A 117 -9.884 1.072 -6.576 1.00 0.00 N ATOM 1744 CA MET A 117 -9.872 0.030 -5.556 1.00 0.00 C ATOM 1745 C MET A 117 -11.125 -0.834 -5.651 1.00 0.00 C ATOM 1746 O MET A 117 -12.235 -0.320 -5.805 1.00 0.00 O ATOM 1747 CB MET A 117 -9.770 0.651 -4.163 1.00 0.00 C ATOM 1748 CG MET A 117 -10.886 1.636 -3.853 1.00 0.00 C ATOM 1749 SD MET A 117 -11.468 1.515 -2.150 1.00 0.00 S ATOM 1750 CE MET A 117 -13.240 1.437 -2.401 1.00 0.00 C ATOM 0 H MET A 117 -10.695 1.689 -6.537 1.00 0.00 H new ATOM 0 HA MET A 117 -9.001 -0.603 -5.727 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.781 -0.144 -3.418 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.811 1.161 -4.071 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.533 2.650 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.721 1.459 -4.531 1.00 0.00 H new ATOM 0 HE1 MET A 117 -13.702 2.348 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A 117 -13.453 1.339 -3.466 1.00 0.00 H new ATOM 0 HE3 MET A 117 -13.645 0.576 -1.870 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.941 -2.148 -5.557 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.056 -3.086 -5.633 1.00 0.00 C ATOM 1762 C VAL A 118 -12.028 -4.064 -4.462 1.00 0.00 C ATOM 1763 O VAL A 118 -11.064 -4.808 -4.286 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.042 -3.885 -6.954 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.437 -4.396 -7.281 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.494 -3.041 -8.098 1.00 0.00 C ATOM 0 H VAL A 118 -10.029 -2.587 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.969 -2.492 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.382 -4.743 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.409 -4.957 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.784 -5.046 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.119 -3.552 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.495 -3.628 -9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.119 -2.158 -8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.475 -2.732 -7.866 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.090 -4.056 -3.661 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.185 -4.942 -2.506 1.00 0.00 C ATOM 1778 C TRP A 119 -14.315 -5.951 -2.682 1.00 0.00 C ATOM 1779 O TRP A 119 -15.363 -5.633 -3.245 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.410 -4.127 -1.231 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.383 -4.954 0.019 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.618 -6.060 0.253 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.156 -4.741 1.206 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -12.868 -6.548 1.513 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -13.808 -5.755 2.117 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -15.109 -3.791 1.586 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -14.379 -5.846 3.385 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -15.673 -3.881 2.843 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -15.308 -4.902 3.729 1.00 0.00 C ATOM 0 H TRP A 119 -13.897 -3.445 -3.791 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.246 -5.488 -2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.644 -3.355 -1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -14.371 -3.618 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -11.919 -6.489 -0.449 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.426 -7.367 1.930 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.399 -3.001 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -14.099 -6.632 4.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.408 -3.151 3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.769 -4.945 4.704 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.323 -0.736 -4.959 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.440 -0.215 -5.996 1.00 0.00 C ATOM 2093 C VAL A 141 -15.418 1.310 -5.985 1.00 0.00 C ATOM 2094 O VAL A 141 -16.465 1.955 -6.051 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.868 -0.706 -7.394 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.270 -0.222 -7.728 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.872 -0.250 -8.451 1.00 0.00 C ATOM 0 HA VAL A 141 -14.439 -0.589 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.879 -1.796 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.552 -0.580 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.973 -0.607 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.291 0.868 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -15.192 -0.606 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.823 0.839 -8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.887 -0.655 -8.221 1.00 0.00 H new ATOM 2107 N SER A 142 -14.222 1.884 -5.899 1.00 0.00 N ATOM 2108 CA SER A 142 -14.076 3.337 -5.879 1.00 0.00 C ATOM 2109 C SER A 142 -12.680 3.761 -6.336 1.00 0.00 C ATOM 2110 O SER A 142 -11.690 3.096 -6.032 1.00 0.00 O ATOM 2111 CB SER A 142 -14.346 3.875 -4.474 1.00 0.00 C ATOM 2112 OG SER A 142 -14.301 5.291 -4.452 1.00 0.00 O ATOM 0 H SER A 142 -13.343 1.369 -5.842 1.00 0.00 H new ATOM 0 HA SER A 142 -14.805 3.755 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.323 3.534 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.608 3.474 -3.780 1.00 0.00 H new ATOM 0 HG SER A 142 -14.479 5.610 -3.542 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.584 4.884 -7.073 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.305 5.398 -7.567 1.00 0.00 C ATOM 2120 C PRO A 143 -10.534 6.153 -6.488 1.00 0.00 C ATOM 2121 O PRO A 143 -11.131 6.789 -5.619 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.729 6.348 -8.682 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.060 6.860 -8.251 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.715 5.741 -7.479 1.00 0.00 C ATOM 0 HA PRO A 143 -10.634 4.603 -7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.012 7.160 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.794 5.832 -9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.952 7.749 -7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.665 7.144 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.262 6.118 -6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.430 5.195 -8.095 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.207 6.081 -6.545 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.365 6.762 -5.568 1.00 0.00 C ATOM 2134 C VAL A 144 -6.966 7.018 -6.117 1.00 0.00 C ATOM 2135 O VAL A 144 -6.544 6.394 -7.090 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.247 5.947 -4.265 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.600 5.830 -3.580 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.664 4.572 -4.546 1.00 0.00 C ATOM 0 H VAL A 144 -8.693 5.559 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.846 7.717 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.570 6.473 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.494 5.251 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -9.974 6.825 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.303 5.329 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.588 4.012 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.312 4.037 -5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.673 4.680 -4.986 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.251 7.941 -5.479 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.895 8.283 -5.895 1.00 0.00 C ATOM 2150 C PHE A 145 -4.058 8.712 -4.694 1.00 0.00 C ATOM 2151 O PHE A 145 -4.386 9.684 -4.013 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.923 9.400 -6.939 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.857 10.525 -6.592 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.190 10.473 -6.964 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -5.400 11.632 -5.896 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -8.052 11.505 -6.648 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -6.257 12.668 -5.577 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.585 12.605 -5.952 1.00 0.00 C ATOM 0 H PHE A 145 -6.589 8.465 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.440 7.397 -6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.916 9.799 -7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.216 8.979 -7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.560 9.616 -7.507 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.363 11.686 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -9.089 11.453 -6.944 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.889 13.526 -5.035 1.00 0.00 H new ATOM 0 HZ PHE A 145 -8.257 13.413 -5.702 1.00 0.00 H new ATOM 2168 N ALA A 146 -2.980 7.979 -4.433 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.103 8.285 -3.309 1.00 0.00 C ATOM 2170 C ALA A 146 -0.757 8.824 -3.786 1.00 0.00 C ATOM 2171 O ALA A 146 -0.101 8.224 -4.635 1.00 0.00 O ATOM 2172 CB ALA A 146 -1.903 7.047 -2.446 1.00 0.00 C ATOM 0 H ALA A 146 -2.693 7.170 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.580 9.061 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.246 7.288 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -2.867 6.710 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.452 6.255 -3.044 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.352 9.960 -3.226 1.00 0.00 N ATOM 2179 CA GLY A 147 0.917 10.559 -3.598 1.00 0.00 C ATOM 2180 C GLY A 147 1.735 10.966 -2.389 1.00 0.00 C ATOM 2181 O GLY A 147 1.256 11.710 -1.533 1.00 0.00 O ATOM 0 H GLY A 147 -0.880 10.476 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.488 9.852 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.735 11.434 -4.222 1.00 0.00 H new ATOM 2185 N GLY A 148 2.967 10.475 -2.314 1.00 0.00 N ATOM 2186 CA GLY A 148 3.819 10.805 -1.188 1.00 0.00 C ATOM 2187 C GLY A 148 5.295 10.617 -1.485 1.00 0.00 C ATOM 2188 O GLY A 148 5.724 10.726 -2.636 1.00 0.00 O ATOM 0 H GLY A 148 3.389 9.858 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.642 11.840 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.543 10.183 -0.337 1.00 0.00 H new ATOM 2192 N VAL A 149 6.070 10.334 -0.443 1.00 0.00 N ATOM 2193 CA VAL A 149 7.510 10.135 -0.594 1.00 0.00 C ATOM 2194 C VAL A 149 7.987 8.918 0.192 1.00 0.00 C ATOM 2195 O VAL A 149 7.256 8.379 1.024 1.00 0.00 O ATOM 2196 CB VAL A 149 8.302 11.376 -0.134 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.189 12.504 -1.153 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.826 11.833 1.237 1.00 0.00 C ATOM 0 H VAL A 149 5.728 10.237 0.513 1.00 0.00 H new ATOM 0 HA VAL A 149 7.694 9.970 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 149 9.354 11.101 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.756 13.367 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.588 12.170 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.142 12.782 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.395 12.709 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.767 12.087 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.974 11.031 1.960 1.00 0.00 H new ATOM 2208 N GLU A 150 9.218 8.488 -0.077 1.00 0.00 N ATOM 2209 CA GLU A 150 9.791 7.331 0.605 1.00 0.00 C ATOM 2210 C GLU A 150 11.239 7.597 1.009 1.00 0.00 C ATOM 2211 O GLU A 150 12.019 8.157 0.237 1.00 0.00 O ATOM 2212 CB GLU A 150 9.719 6.097 -0.297 1.00 0.00 C ATOM 2213 CG GLU A 150 10.352 4.856 0.313 1.00 0.00 C ATOM 2214 CD GLU A 150 10.375 3.681 -0.646 1.00 0.00 C ATOM 2215 OE1 GLU A 150 11.020 3.797 -1.709 1.00 0.00 O ATOM 2216 OE2 GLU A 150 9.749 2.646 -0.335 1.00 0.00 O ATOM 0 H GLU A 150 9.837 8.923 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 150 9.210 7.148 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.674 5.886 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.214 6.319 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.371 5.087 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.802 4.576 1.211 1.00 0.00 H new ATOM 2223 N TRP A 151 11.590 7.187 2.225 1.00 0.00 N ATOM 2224 CA TRP A 151 12.944 7.372 2.738 1.00 0.00 C ATOM 2225 C TRP A 151 13.583 6.027 3.074 1.00 0.00 C ATOM 2226 O TRP A 151 13.007 5.222 3.807 1.00 0.00 O ATOM 2227 CB TRP A 151 12.923 8.269 3.979 1.00 0.00 C ATOM 2228 CG TRP A 151 13.323 9.684 3.694 1.00 0.00 C ATOM 2229 CD1 TRP A 151 14.595 10.175 3.607 1.00 0.00 C ATOM 2230 CD2 TRP A 151 12.449 10.794 3.461 1.00 0.00 C ATOM 2231 NE1 TRP A 151 14.563 11.520 3.333 1.00 0.00 N ATOM 2232 CE2 TRP A 151 13.257 11.924 3.239 1.00 0.00 C ATOM 2233 CE3 TRP A 151 11.058 10.941 3.417 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 12.721 13.183 2.978 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 10.529 12.190 3.159 1.00 0.00 C ATOM 2236 CH2 TRP A 151 11.357 13.297 2.943 1.00 0.00 C ATOM 0 H TRP A 151 10.954 6.724 2.874 1.00 0.00 H new ATOM 0 HA TRP A 151 13.540 7.854 1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.921 8.261 4.407 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.594 7.853 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 151 15.494 9.591 3.735 1.00 0.00 H new ATOM 0 HE1 TRP A 151 15.379 12.121 3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.410 10.093 3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 13.358 14.038 2.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 9.457 12.315 3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 151 10.911 14.261 2.745 1.00 0.00 H new ATOM 2247 N ALA A 152 14.773 5.788 2.532 1.00 0.00 N ATOM 2248 CA ALA A 152 15.484 4.537 2.771 1.00 0.00 C ATOM 2249 C ALA A 152 16.358 4.621 4.017 1.00 0.00 C ATOM 2250 O ALA A 152 17.213 5.500 4.132 1.00 0.00 O ATOM 2251 CB ALA A 152 16.327 4.173 1.558 1.00 0.00 C ATOM 0 H ALA A 152 15.265 6.444 1.925 1.00 0.00 H new ATOM 0 HA ALA A 152 14.742 3.756 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.853 3.237 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.681 4.056 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.052 4.965 1.368 1.00 0.00 H new ATOM 2257 N VAL A 153 16.142 3.695 4.947 1.00 0.00 N ATOM 2258 CA VAL A 153 16.912 3.654 6.185 1.00 0.00 C ATOM 2259 C VAL A 153 17.735 2.371 6.270 1.00 0.00 C ATOM 2260 O VAL A 153 17.565 1.572 7.191 1.00 0.00 O ATOM 2261 CB VAL A 153 15.997 3.754 7.423 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.821 3.764 8.702 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.118 4.992 7.336 1.00 0.00 C ATOM 0 H VAL A 153 15.438 2.961 4.866 1.00 0.00 H new ATOM 0 HA VAL A 153 17.582 4.514 6.174 1.00 0.00 H new ATOM 0 HB VAL A 153 15.351 2.877 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.156 3.835 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.402 2.844 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.496 4.620 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.479 5.047 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.746 5.881 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.498 4.936 6.441 1.00 0.00 H new ATOM 2323 N ILE A 157 15.469 -1.621 3.761 1.00 0.00 N ATOM 2324 CA ILE A 157 14.102 -1.270 4.127 1.00 0.00 C ATOM 2325 C ILE A 157 13.914 0.244 4.147 1.00 0.00 C ATOM 2326 O ILE A 157 14.771 0.980 4.635 1.00 0.00 O ATOM 2327 CB ILE A 157 13.721 -1.846 5.505 1.00 0.00 C ATOM 2328 CG1 ILE A 157 13.972 -3.356 5.536 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.267 -1.540 5.830 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.500 -3.854 6.864 1.00 0.00 C ATOM 0 HA ILE A 157 13.448 -1.705 3.371 1.00 0.00 H new ATOM 0 HB ILE A 157 14.346 -1.374 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.042 -3.876 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 157 14.683 -3.614 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.017 -1.955 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.117 -0.460 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.623 -1.985 5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.654 -4.932 6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.447 -3.362 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.780 -3.627 7.650 1.00 0.00 H new ATOM 2342 N ALA A 158 12.788 0.702 3.609 1.00 0.00 N ATOM 2343 CA ALA A 158 12.489 2.128 3.561 1.00 0.00 C ATOM 2344 C ALA A 158 11.076 2.415 4.057 1.00 0.00 C ATOM 2345 O ALA A 158 10.216 1.534 4.059 1.00 0.00 O ATOM 2346 CB ALA A 158 12.670 2.654 2.145 1.00 0.00 C ATOM 0 H ALA A 158 12.068 0.106 3.200 1.00 0.00 H new ATOM 0 HA ALA A 158 13.186 2.642 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.444 3.720 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.700 2.494 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 158 11.996 2.125 1.471 1.00 0.00 H new ATOM 2352 N THR A 159 10.844 3.658 4.468 1.00 0.00 N ATOM 2353 CA THR A 159 9.535 4.072 4.958 1.00 0.00 C ATOM 2354 C THR A 159 8.784 4.835 3.873 1.00 0.00 C ATOM 2355 O THR A 159 9.380 5.605 3.122 1.00 0.00 O ATOM 2356 CB THR A 159 9.685 4.945 6.206 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.943 5.597 6.213 1.00 0.00 O ATOM 2358 CG2 THR A 159 9.563 4.166 7.498 1.00 0.00 C ATOM 0 H THR A 159 11.547 4.397 4.471 1.00 0.00 H new ATOM 0 HA THR A 159 8.965 3.181 5.221 1.00 0.00 H new ATOM 0 HB THR A 159 8.868 5.665 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 159 11.020 6.151 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 159 9.679 4.844 8.344 1.00 0.00 H new ATOM 0 HG22 THR A 159 8.583 3.691 7.545 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.339 3.402 7.537 1.00 0.00 H new ATOM 2366 N ARG A 160 7.478 4.609 3.786 1.00 0.00 N ATOM 2367 CA ARG A 160 6.666 5.273 2.776 1.00 0.00 C ATOM 2368 C ARG A 160 5.501 6.035 3.395 1.00 0.00 C ATOM 2369 O ARG A 160 4.664 5.461 4.092 1.00 0.00 O ATOM 2370 CB ARG A 160 6.138 4.248 1.771 1.00 0.00 C ATOM 2371 CG ARG A 160 7.222 3.647 0.891 1.00 0.00 C ATOM 2372 CD ARG A 160 6.638 3.009 -0.361 1.00 0.00 C ATOM 2373 NE ARG A 160 7.304 3.478 -1.574 1.00 0.00 N ATOM 2374 CZ ARG A 160 7.255 2.839 -2.740 1.00 0.00 C ATOM 2375 NH1 ARG A 160 6.577 1.704 -2.856 1.00 0.00 N ATOM 2376 NH2 ARG A 160 7.889 3.336 -3.795 1.00 0.00 N ATOM 0 H ARG A 160 6.963 3.976 4.398 1.00 0.00 H new ATOM 0 HA ARG A 160 7.303 5.995 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.635 3.447 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.390 4.724 1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 160 7.933 4.423 0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 160 7.777 2.898 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.730 1.925 -0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 160 5.573 3.235 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 160 7.838 4.346 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.089 1.316 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 160 6.544 1.219 -3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 160 8.413 4.207 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 160 7.852 2.847 -4.689 1.00 0.00 H new ATOM 2390 N LEU A 161 5.446 7.333 3.111 1.00 0.00 N ATOM 2391 CA LEU A 161 4.375 8.187 3.611 1.00 0.00 C ATOM 2392 C LEU A 161 3.580 8.748 2.437 1.00 0.00 C ATOM 2393 O LEU A 161 4.124 9.476 1.601 1.00 0.00 O ATOM 2394 CB LEU A 161 4.941 9.329 4.460 1.00 0.00 C ATOM 2395 CG LEU A 161 4.036 9.788 5.608 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.722 10.871 6.431 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.703 10.287 5.069 1.00 0.00 C ATOM 0 H LEU A 161 6.134 7.817 2.535 1.00 0.00 H new ATOM 0 HA LEU A 161 3.716 7.590 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.898 9.014 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.140 10.181 3.810 1.00 0.00 H new ATOM 0 HG LEU A 161 3.845 8.934 6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.064 11.184 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.649 10.478 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.944 11.727 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.073 10.609 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.874 11.127 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.206 9.483 4.526 1.00 0.00 H new ATOM 2409 N GLU A 162 2.302 8.385 2.366 1.00 0.00 N ATOM 2410 CA GLU A 162 1.439 8.834 1.279 1.00 0.00 C ATOM 2411 C GLU A 162 0.400 9.839 1.760 1.00 0.00 C ATOM 2412 O GLU A 162 -0.104 9.743 2.879 1.00 0.00 O ATOM 2413 CB GLU A 162 0.740 7.636 0.634 1.00 0.00 C ATOM 2414 CG GLU A 162 -0.031 6.776 1.624 1.00 0.00 C ATOM 2415 CD GLU A 162 0.465 5.343 1.664 1.00 0.00 C ATOM 2416 OE1 GLU A 162 0.099 4.563 0.761 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.220 5.002 2.599 1.00 0.00 O ATOM 0 H GLU A 162 1.842 7.782 3.048 1.00 0.00 H new ATOM 0 HA GLU A 162 2.070 9.331 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.054 7.996 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 162 1.485 7.018 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 162 0.051 7.213 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -1.088 6.783 1.359 1.00 0.00 H new ATOM 2424 N TYR A 163 0.083 10.801 0.898 1.00 0.00 N ATOM 2425 CA TYR A 163 -0.900 11.827 1.215 1.00 0.00 C ATOM 2426 C TYR A 163 -1.867 12.021 0.050 1.00 0.00 C ATOM 2427 O TYR A 163 -1.612 11.559 -1.063 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.205 13.151 1.540 1.00 0.00 C ATOM 2429 CG TYR A 163 0.662 13.674 0.417 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.096 14.159 -0.755 1.00 0.00 C ATOM 2431 CD2 TYR A 163 2.046 13.682 0.530 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.886 14.638 -1.784 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.843 14.160 -0.493 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.258 14.636 -1.647 1.00 0.00 C ATOM 2435 OH TYR A 163 3.049 15.111 -2.669 1.00 0.00 O ATOM 0 H TYR A 163 0.497 10.890 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.464 11.500 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.961 13.898 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.410 13.020 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -0.978 14.162 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.507 13.308 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.431 15.011 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.918 14.161 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 163 3.992 15.041 -2.412 1.00 0.00 H new ATOM 2445 N GLN A 164 -2.975 12.705 0.311 1.00 0.00 N ATOM 2446 CA GLN A 164 -3.977 12.957 -0.719 1.00 0.00 C ATOM 2447 C GLN A 164 -5.123 13.801 -0.168 1.00 0.00 C ATOM 2448 O GLN A 164 -5.935 13.322 0.623 1.00 0.00 O ATOM 2449 CB GLN A 164 -4.520 11.637 -1.269 1.00 0.00 C ATOM 2450 CG GLN A 164 -4.840 10.613 -0.193 1.00 0.00 C ATOM 2451 CD GLN A 164 -5.540 9.386 -0.745 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -6.162 9.437 -1.805 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -5.439 8.274 -0.025 1.00 0.00 N ATOM 0 H GLN A 164 -3.202 13.095 1.226 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.498 13.509 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.422 11.838 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -3.789 11.212 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -3.917 10.309 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -5.470 11.075 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -4.913 8.278 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -5.888 7.416 -0.346 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.130 10.669 4.695 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.714 10.324 4.730 1.00 0.00 C ATOM 2726 C LEU A 184 -2.499 8.994 5.443 1.00 0.00 C ATOM 2727 O LEU A 184 -3.305 8.595 6.283 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.917 11.428 5.429 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.602 12.650 4.562 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -2.863 13.165 3.882 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.961 13.746 5.400 1.00 0.00 C ATOM 0 HA LEU A 184 -2.361 10.227 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.475 11.758 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.979 11.005 5.789 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.895 12.349 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.618 14.033 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.281 12.382 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.594 13.449 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.744 14.607 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.645 14.043 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.035 13.374 5.838 1.00 0.00 H new ATOM 2743 N SER A 185 -1.412 8.309 5.103 1.00 0.00 N ATOM 2744 CA SER A 185 -1.104 7.022 5.716 1.00 0.00 C ATOM 2745 C SER A 185 0.398 6.756 5.721 1.00 0.00 C ATOM 2746 O SER A 185 1.129 7.227 4.845 1.00 0.00 O ATOM 2747 CB SER A 185 -1.827 5.897 4.972 1.00 0.00 C ATOM 2748 OG SER A 185 -3.234 6.061 5.042 1.00 0.00 O ATOM 0 H SER A 185 -0.732 8.622 4.410 1.00 0.00 H new ATOM 0 HA SER A 185 -1.449 7.053 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.511 5.884 3.929 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.548 4.935 5.401 1.00 0.00 H new ATOM 0 HG SER A 185 -3.673 5.331 4.558 1.00 0.00 H new ATOM 2754 N LEU A 186 0.851 5.993 6.714 1.00 0.00 N ATOM 2755 CA LEU A 186 2.268 5.654 6.837 1.00 0.00 C ATOM 2756 C LEU A 186 2.471 4.151 6.687 1.00 0.00 C ATOM 2757 O LEU A 186 1.630 3.357 7.109 1.00 0.00 O ATOM 2758 CB LEU A 186 2.828 6.117 8.189 1.00 0.00 C ATOM 2759 CG LEU A 186 2.061 7.254 8.872 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.052 6.695 9.863 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.025 8.204 9.571 1.00 0.00 C ATOM 0 H LEU A 186 0.258 5.598 7.444 1.00 0.00 H new ATOM 0 HA LEU A 186 2.805 6.170 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.850 5.262 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.860 6.436 8.044 1.00 0.00 H new ATOM 0 HG LEU A 186 1.521 7.813 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.516 7.516 10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.343 6.055 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.573 6.113 10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.463 9.005 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.592 7.657 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.711 8.630 8.839 1.00 0.00 H new ATOM 2773 N GLY A 187 3.588 3.763 6.082 1.00 0.00 N ATOM 2774 CA GLY A 187 3.871 2.353 5.891 1.00 0.00 C ATOM 2775 C GLY A 187 5.336 2.076 5.628 1.00 0.00 C ATOM 2776 O GLY A 187 6.133 3.002 5.470 1.00 0.00 O ATOM 0 H GLY A 187 4.301 4.397 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.555 1.801 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.280 1.979 5.055 1.00 0.00 H new ATOM 2780 N VAL A 188 5.691 0.795 5.573 1.00 0.00 N ATOM 2781 CA VAL A 188 7.069 0.391 5.319 1.00 0.00 C ATOM 2782 C VAL A 188 7.134 -0.602 4.164 1.00 0.00 C ATOM 2783 O VAL A 188 6.302 -1.503 4.061 1.00 0.00 O ATOM 2784 CB VAL A 188 7.721 -0.238 6.568 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.204 0.845 7.521 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.756 -1.183 7.270 1.00 0.00 C ATOM 0 H VAL A 188 5.042 0.019 5.701 1.00 0.00 H new ATOM 0 HA VAL A 188 7.622 1.293 5.058 1.00 0.00 H new ATOM 0 HB VAL A 188 8.584 -0.820 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.661 0.382 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 188 8.939 1.472 7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.359 1.457 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.241 -1.613 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 188 5.868 -0.632 7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.468 -1.982 6.587 1.00 0.00 H new ATOM 2796 N SER A 189 8.124 -0.429 3.292 1.00 0.00 N ATOM 2797 CA SER A 189 8.284 -1.311 2.143 1.00 0.00 C ATOM 2798 C SER A 189 9.753 -1.632 1.893 1.00 0.00 C ATOM 2799 O SER A 189 10.643 -1.036 2.500 1.00 0.00 O ATOM 2800 CB SER A 189 7.673 -0.671 0.896 1.00 0.00 C ATOM 2801 OG SER A 189 8.470 0.403 0.431 1.00 0.00 O ATOM 0 H SER A 189 8.823 0.310 3.360 1.00 0.00 H new ATOM 0 HA SER A 189 7.763 -2.243 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.573 -1.420 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.669 -0.311 1.123 1.00 0.00 H new ATOM 0 HG SER A 189 8.377 0.483 -0.541 1.00 0.00 H new ATOM 2807 N TYR A 190 9.996 -2.579 0.993 1.00 0.00 N ATOM 2808 CA TYR A 190 11.354 -2.985 0.653 1.00 0.00 C ATOM 2809 C TYR A 190 11.439 -3.416 -0.806 1.00 0.00 C ATOM 2810 O TYR A 190 10.428 -3.745 -1.427 1.00 0.00 O ATOM 2811 CB TYR A 190 11.810 -4.127 1.565 1.00 0.00 C ATOM 2812 CG TYR A 190 10.769 -5.207 1.752 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.332 -5.972 0.676 1.00 0.00 C ATOM 2814 CD2 TYR A 190 10.220 -5.460 3.003 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.379 -6.959 0.844 1.00 0.00 C ATOM 2816 CE2 TYR A 190 9.266 -6.446 3.178 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.850 -7.192 2.095 1.00 0.00 C ATOM 2818 OH TYR A 190 7.901 -8.175 2.265 1.00 0.00 O ATOM 0 H TYR A 190 9.268 -3.081 0.485 1.00 0.00 H new ATOM 0 HA TYR A 190 12.013 -2.129 0.800 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.713 -4.573 1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.076 -3.718 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 190 10.744 -5.792 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 190 10.544 -4.877 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 190 9.050 -7.545 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.849 -6.631 4.157 1.00 0.00 H new ATOM 0 HH TYR A 190 7.633 -8.211 3.207 1.00 0.00 H new ATOM 2828 N ARG A 191 12.652 -3.413 -1.350 1.00 0.00 N ATOM 2829 CA ARG A 191 12.868 -3.805 -2.738 1.00 0.00 C ATOM 2830 C ARG A 191 13.261 -5.276 -2.834 1.00 0.00 C ATOM 2831 O ARG A 191 13.876 -5.825 -1.921 1.00 0.00 O ATOM 2832 CB ARG A 191 13.951 -2.933 -3.375 1.00 0.00 C ATOM 2833 CG ARG A 191 13.823 -2.811 -4.884 1.00 0.00 C ATOM 2834 CD ARG A 191 14.870 -1.871 -5.462 1.00 0.00 C ATOM 2835 NE ARG A 191 15.842 -2.579 -6.291 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.627 -1.983 -7.184 1.00 0.00 C ATOM 2837 NH1 ARG A 191 16.559 -0.669 -7.368 1.00 0.00 N ATOM 2838 NH2 ARG A 191 17.485 -2.700 -7.898 1.00 0.00 N ATOM 0 H ARG A 191 13.500 -3.144 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 191 11.932 -3.662 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.910 -1.937 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 191 14.929 -3.349 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 191 13.927 -3.796 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 191 12.827 -2.447 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 191 14.378 -1.102 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.389 -1.362 -4.649 1.00 0.00 H new ATOM 0 HE ARG A 191 15.924 -3.589 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 191 15.902 -0.111 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 191 17.164 -0.218 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 191 17.543 -3.709 -7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 191 18.087 -2.242 -8.583 1.00 0.00 H new