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 95 GLN : amide:sc= -0.681 K(o=-1.8,f=-5.1!) USER MOD Set 1.2: A 117 MET CE :methyl -177:sc= -1.13 (180deg=-0.651) USER MOD Set 2.1: A 20 TYR OH : rot 156:sc= 0.345 USER MOD Set 2.2: A 99 LYS NZ :NH3+ 169:sc= 0.993 (180deg=0.291) USER MOD Set 3.1: A 60 TYR OH : rot 126:sc= 0.241 USER MOD Set 3.2: A 70 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Set 4.1: A 24 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0) USER MOD Set 4.2: A 185 SER OG : rot 21:sc= 0.1 USER MOD Single : A 18 THR OG1 : rot 30:sc= 0.361 USER MOD Single : A 61 GLN : amide:sc= -0.285 K(o=-0.28,f=-2.8!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.12) USER MOD Single : A 97 THR OG1 : rot -175:sc= -2.73! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 165:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 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 -145:sc= 0.00846 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.614 -3.421 -11.520 1.00 0.00 N ATOM 276 CA THR A 18 12.702 -3.494 -10.067 1.00 0.00 C ATOM 277 C THR A 18 11.346 -3.829 -9.456 1.00 0.00 C ATOM 278 O THR A 18 10.309 -3.677 -10.101 1.00 0.00 O ATOM 279 CB THR A 18 13.217 -2.170 -9.499 1.00 0.00 C ATOM 280 OG1 THR A 18 14.254 -1.647 -10.309 1.00 0.00 O ATOM 281 CG2 THR A 18 13.754 -2.292 -8.089 1.00 0.00 C ATOM 0 HA THR A 18 13.402 -4.289 -9.810 1.00 0.00 H new ATOM 0 HB THR A 18 12.353 -1.506 -9.485 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.113 -1.922 -11.239 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.103 -1.318 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.963 -2.647 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.583 -2.999 -8.075 1.00 0.00 H new ATOM 289 N TRP A 19 11.361 -4.286 -8.208 1.00 0.00 N ATOM 290 CA TRP A 19 10.132 -4.644 -7.510 1.00 0.00 C ATOM 291 C TRP A 19 10.247 -4.344 -6.019 1.00 0.00 C ATOM 292 O TRP A 19 11.215 -4.738 -5.370 1.00 0.00 O ATOM 293 CB TRP A 19 9.814 -6.125 -7.723 1.00 0.00 C ATOM 294 CG TRP A 19 8.525 -6.554 -7.090 1.00 0.00 C ATOM 295 CD1 TRP A 19 8.215 -6.525 -5.761 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.373 -7.079 -7.760 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.940 -6.998 -5.563 1.00 0.00 N ATOM 298 CE2 TRP A 19 6.403 -7.345 -6.776 1.00 0.00 C ATOM 299 CE3 TRP A 19 7.068 -7.349 -9.097 1.00 0.00 C ATOM 300 CZ2 TRP A 19 5.150 -7.867 -7.087 1.00 0.00 C ATOM 301 CZ3 TRP A 19 5.824 -7.867 -9.404 1.00 0.00 C ATOM 302 CH2 TRP A 19 4.878 -8.121 -8.403 1.00 0.00 C ATOM 0 H TRP A 19 12.211 -4.417 -7.659 1.00 0.00 H new ATOM 0 HA TRP A 19 9.321 -4.043 -7.921 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.771 -6.329 -8.793 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.628 -6.726 -7.316 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.875 -6.181 -4.979 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.470 -7.078 -4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.791 -7.156 -9.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.419 -8.064 -6.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 5.577 -8.080 -10.434 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.914 -8.526 -8.676 1.00 0.00 H new ATOM 313 N TYR A 20 9.252 -3.645 -5.483 1.00 0.00 N ATOM 314 CA TYR A 20 9.239 -3.293 -4.068 1.00 0.00 C ATOM 315 C TYR A 20 7.851 -3.501 -3.471 1.00 0.00 C ATOM 316 O TYR A 20 6.841 -3.195 -4.103 1.00 0.00 O ATOM 317 CB TYR A 20 9.679 -1.839 -3.876 1.00 0.00 C ATOM 318 CG TYR A 20 9.124 -0.892 -4.916 1.00 0.00 C ATOM 319 CD1 TYR A 20 7.817 -0.427 -4.834 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.907 -0.463 -5.981 1.00 0.00 C ATOM 321 CE1 TYR A 20 7.306 0.438 -5.783 1.00 0.00 C ATOM 322 CE2 TYR A 20 9.404 0.403 -6.933 1.00 0.00 C ATOM 323 CZ TYR A 20 8.103 0.849 -6.831 1.00 0.00 C ATOM 324 OH TYR A 20 7.598 1.710 -7.778 1.00 0.00 O ATOM 0 H TYR A 20 8.444 -3.311 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 20 9.941 -3.947 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.367 -1.502 -2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.768 -1.792 -3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.190 -0.747 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.925 -0.812 -6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.288 0.790 -5.704 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.027 0.729 -7.753 1.00 0.00 H new ATOM 0 HH TYR A 20 8.335 2.196 -8.205 1.00 0.00 H new ATOM 334 N ALA A 21 7.809 -4.026 -2.250 1.00 0.00 N ATOM 335 CA ALA A 21 6.542 -4.276 -1.572 1.00 0.00 C ATOM 336 C ALA A 21 6.575 -3.765 -0.136 1.00 0.00 C ATOM 337 O ALA A 21 7.627 -3.745 0.503 1.00 0.00 O ATOM 338 CB ALA A 21 6.215 -5.761 -1.597 1.00 0.00 C ATOM 0 H ALA A 21 8.635 -4.286 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 21 5.761 -3.733 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.267 -5.933 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.139 -6.099 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.005 -6.316 -1.091 1.00 0.00 H new ATOM 344 N GLY A 22 5.415 -3.353 0.366 1.00 0.00 N ATOM 345 CA GLY A 22 5.331 -2.849 1.723 1.00 0.00 C ATOM 346 C GLY A 22 3.901 -2.735 2.211 1.00 0.00 C ATOM 347 O GLY A 22 2.987 -3.306 1.616 1.00 0.00 O ATOM 0 H GLY A 22 4.532 -3.360 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.887 -3.510 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.808 -1.870 1.774 1.00 0.00 H new ATOM 351 N GLY A 23 3.706 -1.996 3.298 1.00 0.00 N ATOM 352 CA GLY A 23 2.375 -1.823 3.846 1.00 0.00 C ATOM 353 C GLY A 23 2.218 -0.512 4.591 1.00 0.00 C ATOM 354 O GLY A 23 3.115 -0.098 5.328 1.00 0.00 O ATOM 0 H GLY A 23 4.446 -1.514 3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.645 -1.867 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.154 -2.649 4.521 1.00 0.00 H new ATOM 358 N LYS A 24 1.077 0.143 4.396 1.00 0.00 N ATOM 359 CA LYS A 24 0.805 1.416 5.054 1.00 0.00 C ATOM 360 C LYS A 24 -0.441 1.325 5.928 1.00 0.00 C ATOM 361 O LYS A 24 -1.355 0.548 5.650 1.00 0.00 O ATOM 362 CB LYS A 24 0.633 2.524 4.014 1.00 0.00 C ATOM 363 CG LYS A 24 -0.353 2.176 2.911 1.00 0.00 C ATOM 364 CD LYS A 24 -0.741 3.403 2.102 1.00 0.00 C ATOM 365 CE LYS A 24 -2.225 3.404 1.767 1.00 0.00 C ATOM 366 NZ LYS A 24 -3.060 3.771 2.945 1.00 0.00 N ATOM 0 H LYS A 24 0.327 -0.187 3.788 1.00 0.00 H new ATOM 0 HA LYS A 24 1.656 1.654 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.299 3.432 4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.602 2.745 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.087 1.428 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.246 1.730 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.493 4.304 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.159 3.432 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.413 4.107 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.517 2.417 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.022 4.008 2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.101 2.968 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.641 4.593 3.425 1.00 0.00 H new ATOM 380 N LEU A 25 -0.469 2.128 6.987 1.00 0.00 N ATOM 381 CA LEU A 25 -1.600 2.147 7.906 1.00 0.00 C ATOM 382 C LEU A 25 -2.086 3.575 8.129 1.00 0.00 C ATOM 383 O LEU A 25 -1.283 4.505 8.248 1.00 0.00 O ATOM 384 CB LEU A 25 -1.213 1.510 9.244 1.00 0.00 C ATOM 385 CG LEU A 25 -2.347 1.412 10.270 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.971 0.026 10.250 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.837 1.744 11.664 1.00 0.00 C ATOM 0 H LEU A 25 0.281 2.775 7.230 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.410 1.568 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.829 0.508 9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.398 2.087 9.681 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.114 2.138 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.774 -0.022 10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.375 -0.177 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.212 -0.718 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.657 1.669 12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.050 1.043 11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.439 2.759 11.674 1.00 0.00 H new ATOM 399 N GLY A 26 -3.403 3.743 8.181 1.00 0.00 N ATOM 400 CA GLY A 26 -3.976 5.060 8.388 1.00 0.00 C ATOM 401 C GLY A 26 -5.492 5.037 8.411 1.00 0.00 C ATOM 402 O GLY A 26 -6.097 4.130 8.982 1.00 0.00 O ATOM 0 H GLY A 26 -4.084 2.990 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.608 5.469 9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.638 5.728 7.596 1.00 0.00 H new ATOM 799 N GLY A 53 -6.791 1.445 9.816 1.00 0.00 N ATOM 800 CA GLY A 53 -6.916 0.677 8.591 1.00 0.00 C ATOM 801 C GLY A 53 -5.570 0.248 8.041 1.00 0.00 C ATOM 802 O GLY A 53 -4.649 1.059 7.936 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.527 -0.206 8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.438 1.273 7.843 1.00 0.00 H new ATOM 806 N ALA A 54 -5.455 -1.030 7.689 1.00 0.00 N ATOM 807 CA ALA A 54 -4.211 -1.563 7.148 1.00 0.00 C ATOM 808 C ALA A 54 -4.276 -1.666 5.630 1.00 0.00 C ATOM 809 O ALA A 54 -5.329 -1.960 5.063 1.00 0.00 O ATOM 810 CB ALA A 54 -3.910 -2.923 7.759 1.00 0.00 C ATOM 0 H ALA A 54 -6.208 -1.714 7.769 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.406 -0.875 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.978 -3.309 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.814 -2.823 8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.722 -3.613 7.529 1.00 0.00 H new ATOM 816 N GLY A 55 -3.148 -1.419 4.974 1.00 0.00 N ATOM 817 CA GLY A 55 -3.109 -1.488 3.527 1.00 0.00 C ATOM 818 C GLY A 55 -1.767 -1.950 2.995 1.00 0.00 C ATOM 819 O GLY A 55 -0.736 -1.339 3.274 1.00 0.00 O ATOM 0 H GLY A 55 -2.263 -1.173 5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.886 -2.169 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.339 -0.505 3.115 1.00 0.00 H new ATOM 823 N ALA A 56 -1.781 -3.029 2.218 1.00 0.00 N ATOM 824 CA ALA A 56 -0.559 -3.568 1.635 1.00 0.00 C ATOM 825 C ALA A 56 -0.358 -3.027 0.225 1.00 0.00 C ATOM 826 O ALA A 56 -1.247 -3.131 -0.619 1.00 0.00 O ATOM 827 CB ALA A 56 -0.604 -5.090 1.624 1.00 0.00 C ATOM 0 H ALA A 56 -2.626 -3.547 1.978 1.00 0.00 H new ATOM 0 HA ALA A 56 0.286 -3.253 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.315 -5.478 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.703 -5.458 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.457 -5.425 1.033 1.00 0.00 H new ATOM 833 N PHE A 57 0.806 -2.437 -0.024 1.00 0.00 N ATOM 834 CA PHE A 57 1.104 -1.870 -1.334 1.00 0.00 C ATOM 835 C PHE A 57 2.253 -2.605 -2.015 1.00 0.00 C ATOM 836 O PHE A 57 3.190 -3.063 -1.361 1.00 0.00 O ATOM 837 CB PHE A 57 1.446 -0.385 -1.199 1.00 0.00 C ATOM 838 CG PHE A 57 0.284 0.529 -1.467 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.905 0.383 -0.770 1.00 0.00 C ATOM 840 CD2 PHE A 57 0.382 1.536 -2.413 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.975 1.224 -1.013 1.00 0.00 C ATOM 842 CE2 PHE A 57 -0.684 2.380 -2.661 1.00 0.00 C ATOM 843 CZ PHE A 57 -1.864 2.223 -1.960 1.00 0.00 C ATOM 0 H PHE A 57 1.556 -2.339 0.661 1.00 0.00 H new ATOM 0 HA PHE A 57 0.215 -1.985 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.820 -0.197 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.254 -0.143 -1.889 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.997 -0.397 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.302 1.663 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.896 1.100 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.595 3.161 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.699 2.881 -2.152 1.00 0.00 H new ATOM 853 N GLY A 58 2.173 -2.702 -3.337 1.00 0.00 N ATOM 854 CA GLY A 58 3.208 -3.367 -4.105 1.00 0.00 C ATOM 855 C GLY A 58 3.426 -2.702 -5.449 1.00 0.00 C ATOM 856 O GLY A 58 2.483 -2.534 -6.223 1.00 0.00 O ATOM 0 H GLY A 58 1.404 -2.329 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.140 -3.360 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.934 -4.411 -4.256 1.00 0.00 H new ATOM 860 N GLY A 59 4.665 -2.310 -5.726 1.00 0.00 N ATOM 861 CA GLY A 59 4.964 -1.653 -6.984 1.00 0.00 C ATOM 862 C GLY A 59 6.037 -2.364 -7.784 1.00 0.00 C ATOM 863 O GLY A 59 6.959 -2.952 -7.219 1.00 0.00 O ATOM 0 H GLY A 59 5.464 -2.435 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.054 -1.592 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.284 -0.630 -6.786 1.00 0.00 H new ATOM 867 N TYR A 60 5.917 -2.303 -9.107 1.00 0.00 N ATOM 868 CA TYR A 60 6.883 -2.937 -9.996 1.00 0.00 C ATOM 869 C TYR A 60 6.926 -2.225 -11.344 1.00 0.00 C ATOM 870 O TYR A 60 5.896 -2.045 -11.997 1.00 0.00 O ATOM 871 CB TYR A 60 6.539 -4.415 -10.192 1.00 0.00 C ATOM 872 CG TYR A 60 5.176 -4.650 -10.802 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.048 -4.776 -10.001 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.017 -4.749 -12.179 1.00 0.00 C ATOM 875 CE1 TYR A 60 2.801 -4.994 -10.555 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.773 -4.966 -12.740 1.00 0.00 C ATOM 877 CZ TYR A 60 2.668 -5.088 -11.924 1.00 0.00 C ATOM 878 OH TYR A 60 1.428 -5.304 -12.478 1.00 0.00 O ATOM 0 H TYR A 60 5.158 -1.819 -9.587 1.00 0.00 H new ATOM 0 HA TYR A 60 7.868 -2.863 -9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.295 -4.873 -10.829 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.587 -4.920 -9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.147 -4.702 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.880 -4.655 -12.821 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.934 -5.090 -9.918 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.667 -5.040 -13.812 1.00 0.00 H new ATOM 0 HH TYR A 60 1.240 -4.607 -13.141 1.00 0.00 H new ATOM 888 N GLN A 61 8.123 -1.816 -11.752 1.00 0.00 N ATOM 889 CA GLN A 61 8.304 -1.117 -13.019 1.00 0.00 C ATOM 890 C GLN A 61 8.722 -2.086 -14.121 1.00 0.00 C ATOM 891 O GLN A 61 9.565 -2.958 -13.909 1.00 0.00 O ATOM 892 CB GLN A 61 9.350 -0.010 -12.868 1.00 0.00 C ATOM 893 CG GLN A 61 8.867 1.351 -13.342 1.00 0.00 C ATOM 894 CD GLN A 61 9.347 2.482 -12.453 1.00 0.00 C ATOM 895 OE1 GLN A 61 9.878 2.251 -11.367 1.00 0.00 O ATOM 896 NE2 GLN A 61 9.162 3.715 -12.912 1.00 0.00 N ATOM 0 H GLN A 61 8.983 -1.957 -11.223 1.00 0.00 H new ATOM 0 HA GLN A 61 7.351 -0.669 -13.300 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.642 0.062 -11.820 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.242 -0.286 -13.430 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.215 1.522 -14.361 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.777 1.355 -13.373 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.717 3.860 -13.818 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.465 4.516 -12.358 1.00 0.00 H new ATOM 970 N LEU A 66 6.873 4.253 -16.172 1.00 0.00 N ATOM 971 CA LEU A 66 6.000 4.137 -15.010 1.00 0.00 C ATOM 972 C LEU A 66 5.918 2.691 -14.533 1.00 0.00 C ATOM 973 O LEU A 66 6.282 1.766 -15.259 1.00 0.00 O ATOM 974 CB LEU A 66 4.600 4.655 -15.344 1.00 0.00 C ATOM 975 CG LEU A 66 4.025 4.157 -16.673 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.564 3.764 -16.511 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.174 5.219 -17.752 1.00 0.00 C ATOM 0 HA LEU A 66 6.423 4.742 -14.208 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.921 4.367 -14.541 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.627 5.745 -15.363 1.00 0.00 H new ATOM 0 HG LEU A 66 4.587 3.274 -16.979 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.174 3.413 -17.466 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.481 2.968 -15.771 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.989 4.629 -16.180 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.760 4.846 -18.689 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.639 6.120 -17.452 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.230 5.452 -17.890 1.00 0.00 H new ATOM 989 N GLY A 67 5.438 2.503 -13.308 1.00 0.00 N ATOM 990 CA GLY A 67 5.318 1.166 -12.757 1.00 0.00 C ATOM 991 C GLY A 67 3.924 0.878 -12.236 1.00 0.00 C ATOM 992 O GLY A 67 3.187 1.795 -11.876 1.00 0.00 O ATOM 0 H GLY A 67 5.130 3.252 -12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.574 0.436 -13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.038 1.044 -11.948 1.00 0.00 H new ATOM 996 N PHE A 68 3.562 -0.400 -12.194 1.00 0.00 N ATOM 997 CA PHE A 68 2.247 -0.805 -11.710 1.00 0.00 C ATOM 998 C PHE A 68 2.238 -0.885 -10.188 1.00 0.00 C ATOM 999 O PHE A 68 3.216 -1.316 -9.577 1.00 0.00 O ATOM 1000 CB PHE A 68 1.852 -2.156 -12.310 1.00 0.00 C ATOM 1001 CG PHE A 68 0.983 -2.040 -13.530 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.199 -1.317 -13.489 1.00 0.00 C ATOM 1003 CD2 PHE A 68 1.348 -2.653 -14.717 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.000 -1.209 -14.610 1.00 0.00 C ATOM 1005 CE2 PHE A 68 0.551 -2.549 -15.841 1.00 0.00 C ATOM 1006 CZ PHE A 68 -0.624 -1.825 -15.788 1.00 0.00 C ATOM 0 H PHE A 68 4.160 -1.172 -12.489 1.00 0.00 H new ATOM 0 HA PHE A 68 1.520 -0.055 -12.023 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.756 -2.708 -12.569 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.327 -2.741 -11.554 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.497 -0.833 -12.571 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.267 -3.219 -14.765 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.919 -0.644 -14.565 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.847 -3.033 -16.760 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.248 -1.741 -16.666 1.00 0.00 H new ATOM 1016 N GLU A 69 1.133 -0.464 -9.579 1.00 0.00 N ATOM 1017 CA GLU A 69 1.009 -0.487 -8.128 1.00 0.00 C ATOM 1018 C GLU A 69 -0.239 -1.248 -7.695 1.00 0.00 C ATOM 1019 O GLU A 69 -1.361 -0.862 -8.025 1.00 0.00 O ATOM 1020 CB GLU A 69 0.963 0.940 -7.579 1.00 0.00 C ATOM 1021 CG GLU A 69 1.512 1.067 -6.167 1.00 0.00 C ATOM 1022 CD GLU A 69 3.014 0.870 -6.105 1.00 0.00 C ATOM 1023 OE1 GLU A 69 3.690 1.136 -7.120 1.00 0.00 O ATOM 1024 OE2 GLU A 69 3.514 0.448 -5.040 1.00 0.00 O ATOM 0 H GLU A 69 0.313 -0.104 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 69 1.882 -1.001 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.531 1.593 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.068 1.292 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.262 2.051 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.026 0.332 -5.525 1.00 0.00 H new ATOM 1031 N MET A 70 -0.034 -2.326 -6.948 1.00 0.00 N ATOM 1032 CA MET A 70 -1.138 -3.141 -6.459 1.00 0.00 C ATOM 1033 C MET A 70 -1.320 -2.948 -4.958 1.00 0.00 C ATOM 1034 O MET A 70 -0.382 -3.132 -4.182 1.00 0.00 O ATOM 1035 CB MET A 70 -0.890 -4.618 -6.770 1.00 0.00 C ATOM 1036 CG MET A 70 -0.511 -4.879 -8.219 1.00 0.00 C ATOM 1037 SD MET A 70 -0.224 -6.627 -8.558 1.00 0.00 S ATOM 1038 CE MET A 70 -0.898 -6.766 -10.211 1.00 0.00 C ATOM 0 H MET A 70 0.889 -2.656 -6.667 1.00 0.00 H new ATOM 0 HA MET A 70 -2.049 -2.823 -6.966 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.095 -4.989 -6.123 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.788 -5.187 -6.530 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.305 -4.512 -8.870 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.388 -4.313 -8.463 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.699 -7.764 -10.602 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.974 -6.596 -10.181 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.431 -6.023 -10.858 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.528 -2.573 -4.555 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.802 -2.357 -3.146 1.00 0.00 C ATOM 1050 C GLY A 71 -3.713 -3.418 -2.562 1.00 0.00 C ATOM 1051 O GLY A 71 -4.382 -4.145 -3.296 1.00 0.00 O ATOM 0 H GLY A 71 -3.321 -2.415 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.862 -2.346 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.260 -1.377 -3.015 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.738 -3.507 -1.237 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.573 -4.486 -0.553 1.00 0.00 C ATOM 1057 C TYR A 72 -5.257 -3.861 0.658 1.00 0.00 C ATOM 1058 O TYR A 72 -4.596 -3.462 1.616 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.735 -5.688 -0.115 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.333 -6.594 -1.257 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.272 -7.391 -1.899 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.015 -6.651 -1.692 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.908 -8.220 -2.943 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.644 -7.478 -2.735 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.593 -8.260 -3.357 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.228 -9.084 -4.397 1.00 0.00 O ATOM 0 H TYR A 72 -3.189 -2.913 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.340 -4.823 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.836 -5.330 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.300 -6.267 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.303 -7.362 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.268 -6.039 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.650 -8.834 -3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.615 -7.511 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.267 -8.993 -4.565 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.582 -3.775 0.608 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.351 -3.194 1.702 1.00 0.00 C ATOM 1078 C ASP A 73 -7.650 -4.236 2.776 1.00 0.00 C ATOM 1079 O ASP A 73 -8.372 -5.205 2.532 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.656 -2.594 1.171 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.692 -1.083 1.302 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -7.654 -0.440 1.043 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.760 -0.544 1.662 1.00 0.00 O ATOM 0 H ASP A 73 -7.145 -4.100 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.753 -2.402 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.779 -2.868 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.498 -3.023 1.714 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.091 -4.027 3.965 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.297 -4.944 5.081 1.00 0.00 C ATOM 1090 C TRP A 74 -7.495 -4.182 6.389 1.00 0.00 C ATOM 1091 O TRP A 74 -6.943 -3.096 6.581 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.112 -5.902 5.211 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.353 -7.011 6.189 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.439 -7.836 6.242 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.490 -7.414 7.259 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.305 -8.728 7.278 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.117 -8.490 7.917 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.248 -6.972 7.723 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -5.543 -9.127 9.014 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.680 -7.606 8.812 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -4.327 -8.673 9.447 1.00 0.00 C ATOM 0 H TRP A 74 -6.492 -3.230 4.180 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.200 -5.520 4.878 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.891 -6.330 4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.231 -5.340 5.519 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.281 -7.794 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.980 -9.450 7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.741 -6.150 7.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.040 -9.950 9.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.721 -7.273 9.179 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.857 -9.147 10.296 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.358 -9.490 1.298 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.060 -8.847 1.128 1.00 0.00 C ATOM 1363 C GLN A 92 -10.114 -7.810 0.012 1.00 0.00 C ATOM 1364 O GLN A 92 -10.617 -8.084 -1.078 1.00 0.00 O ATOM 1365 CB GLN A 92 -8.986 -9.892 0.817 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.258 -10.405 2.050 1.00 0.00 C ATOM 1367 CD GLN A 92 -8.239 -11.919 2.129 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -7.201 -12.525 2.397 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -9.390 -12.540 1.896 1.00 0.00 N ATOM 0 HA GLN A 92 -9.805 -8.342 2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.449 -10.734 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.259 -9.459 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.234 -10.032 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.737 -10.004 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.226 -11.999 1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.437 -13.558 1.936 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.598 -6.617 0.290 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.605 -5.561 -0.703 1.00 0.00 C ATOM 1380 C GLY A 93 -8.413 -5.631 -1.638 1.00 0.00 C ATOM 1381 O GLY A 93 -7.280 -5.823 -1.197 1.00 0.00 O ATOM 0 H GLY A 93 -9.176 -6.364 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.524 -5.622 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.611 -4.594 -0.200 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.669 -5.465 -2.932 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.612 -5.499 -3.936 1.00 0.00 C ATOM 1387 C VAL A 94 -7.618 -4.210 -4.749 1.00 0.00 C ATOM 1388 O VAL A 94 -8.629 -3.852 -5.354 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.754 -6.707 -4.889 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.010 -7.914 -4.339 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.219 -7.046 -5.129 1.00 0.00 C ATOM 0 H VAL A 94 -9.603 -5.305 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.666 -5.600 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.310 -6.434 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.122 -8.754 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.953 -7.672 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.421 -8.182 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.289 -7.900 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.696 -7.293 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.722 -6.189 -5.576 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.493 -3.503 -4.745 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.386 -2.240 -5.466 1.00 0.00 C ATOM 1403 C GLN A 95 -5.493 -2.362 -6.697 1.00 0.00 C ATOM 1404 O GLN A 95 -4.471 -3.049 -6.678 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.842 -1.151 -4.540 1.00 0.00 C ATOM 1406 CG GLN A 95 -5.758 0.219 -5.192 1.00 0.00 C ATOM 1407 CD GLN A 95 -4.737 1.120 -4.526 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.063 2.213 -4.063 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -3.490 0.664 -4.474 1.00 0.00 N ATOM 0 H GLN A 95 -5.645 -3.782 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.387 -1.970 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.479 -1.085 -3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.849 -1.441 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.501 0.101 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.737 0.696 -5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.264 -0.248 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.759 1.226 -4.038 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.891 -1.674 -7.762 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.144 -1.673 -9.014 1.00 0.00 C ATOM 1420 C LEU A 96 -4.900 -0.235 -9.464 1.00 0.00 C ATOM 1421 O LEU A 96 -5.845 0.494 -9.770 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.916 -2.446 -10.089 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.372 -2.315 -11.515 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.348 -3.670 -12.206 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.207 -1.324 -12.314 1.00 0.00 C ATOM 0 H LEU A 96 -6.737 -1.104 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.183 -2.164 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.924 -3.502 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.952 -2.107 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.350 -1.940 -11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.959 -3.556 -13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.709 -4.353 -11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.359 -4.074 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.807 -1.243 -13.325 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.239 -1.671 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.174 -0.347 -11.831 1.00 0.00 H new ATOM 1437 N THR A 97 -3.636 0.180 -9.484 1.00 0.00 N ATOM 1438 CA THR A 97 -3.300 1.543 -9.878 1.00 0.00 C ATOM 1439 C THR A 97 -1.889 1.635 -10.444 1.00 0.00 C ATOM 1440 O THR A 97 -1.077 0.725 -10.277 1.00 0.00 O ATOM 1441 CB THR A 97 -3.432 2.482 -8.675 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.790 3.718 -8.932 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.837 1.918 -7.401 1.00 0.00 C ATOM 0 H THR A 97 -2.836 -0.402 -9.235 1.00 0.00 H new ATOM 0 HA THR A 97 -3.998 1.842 -10.660 1.00 0.00 H new ATOM 0 HB THR A 97 -4.505 2.612 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.817 4.274 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.966 2.635 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.342 0.987 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.774 1.726 -7.550 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.605 2.753 -11.104 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.291 2.988 -11.688 1.00 0.00 C ATOM 1453 C ALA A 98 0.499 3.973 -10.834 1.00 0.00 C ATOM 1454 O ALA A 98 -0.004 5.039 -10.477 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.427 3.506 -13.112 1.00 0.00 C ATOM 0 H ALA A 98 -2.270 3.513 -11.248 1.00 0.00 H new ATOM 0 HA ALA A 98 0.251 2.043 -11.717 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.564 3.676 -13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.957 2.771 -13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.985 4.442 -13.107 1.00 0.00 H new ATOM 1461 N LYS A 99 1.732 3.607 -10.499 1.00 0.00 N ATOM 1462 CA LYS A 99 2.581 4.459 -9.674 1.00 0.00 C ATOM 1463 C LYS A 99 3.770 4.997 -10.464 1.00 0.00 C ATOM 1464 O LYS A 99 4.465 4.250 -11.153 1.00 0.00 O ATOM 1465 CB LYS A 99 3.077 3.687 -8.448 1.00 0.00 C ATOM 1466 CG LYS A 99 4.004 4.494 -7.552 1.00 0.00 C ATOM 1467 CD LYS A 99 5.358 3.820 -7.393 1.00 0.00 C ATOM 1468 CE LYS A 99 6.367 4.352 -8.397 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.425 3.511 -9.624 1.00 0.00 N ATOM 0 H LYS A 99 2.165 2.729 -10.785 1.00 0.00 H new ATOM 0 HA LYS A 99 1.980 5.308 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.217 3.358 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.598 2.790 -8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.140 5.490 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.543 4.622 -6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.730 3.982 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.247 2.743 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.104 5.374 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.354 4.389 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.979 4.001 -10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.876 2.601 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.461 3.342 -9.975 1.00 0.00 H new ATOM 1483 N LEU A 100 3.997 6.301 -10.348 1.00 0.00 N ATOM 1484 CA LEU A 100 5.104 6.955 -11.036 1.00 0.00 C ATOM 1485 C LEU A 100 5.863 7.862 -10.073 1.00 0.00 C ATOM 1486 O LEU A 100 5.266 8.700 -9.397 1.00 0.00 O ATOM 1487 CB LEU A 100 4.589 7.766 -12.227 1.00 0.00 C ATOM 1488 CG LEU A 100 3.745 8.989 -11.863 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.626 10.220 -11.718 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.667 9.223 -12.910 1.00 0.00 C ATOM 0 H LEU A 100 3.426 6.928 -9.781 1.00 0.00 H new ATOM 0 HA LEU A 100 5.783 6.187 -11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.443 8.096 -12.818 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.995 7.110 -12.864 1.00 0.00 H new ATOM 0 HG LEU A 100 3.259 8.800 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.009 11.080 -11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.361 10.051 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.140 10.412 -12.660 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.076 10.097 -12.635 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.133 9.391 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.018 8.349 -12.966 1.00 0.00 H new ATOM 1502 N GLY A 101 7.180 7.687 -10.007 1.00 0.00 N ATOM 1503 CA GLY A 101 7.986 8.498 -9.113 1.00 0.00 C ATOM 1504 C GLY A 101 9.441 8.574 -9.533 1.00 0.00 C ATOM 1505 O GLY A 101 9.809 8.118 -10.616 1.00 0.00 O ATOM 0 H GLY A 101 7.701 7.001 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.572 9.506 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.925 8.088 -8.105 1.00 0.00 H new ATOM 1509 N TYR A 102 10.268 9.155 -8.670 1.00 0.00 N ATOM 1510 CA TYR A 102 11.694 9.298 -8.945 1.00 0.00 C ATOM 1511 C TYR A 102 12.459 9.677 -7.676 1.00 0.00 C ATOM 1512 O TYR A 102 11.933 10.380 -6.812 1.00 0.00 O ATOM 1513 CB TYR A 102 11.921 10.355 -10.028 1.00 0.00 C ATOM 1514 CG TYR A 102 12.940 9.949 -11.069 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.764 8.799 -11.829 1.00 0.00 C ATOM 1516 CD2 TYR A 102 14.076 10.716 -11.293 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.692 8.426 -12.782 1.00 0.00 C ATOM 1518 CE2 TYR A 102 15.009 10.349 -12.245 1.00 0.00 C ATOM 1519 CZ TYR A 102 14.812 9.204 -12.986 1.00 0.00 C ATOM 1520 OH TYR A 102 15.738 8.835 -13.935 1.00 0.00 O ATOM 0 H TYR A 102 9.974 9.536 -7.771 1.00 0.00 H new ATOM 0 HA TYR A 102 12.069 8.338 -9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.973 10.565 -10.523 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.246 11.282 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 102 11.888 8.187 -11.672 1.00 0.00 H new ATOM 0 HD2 TYR A 102 14.233 11.614 -10.714 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.541 7.529 -13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 102 15.887 10.956 -12.407 1.00 0.00 H new ATOM 0 HH TYR A 102 16.466 9.491 -13.954 1.00 0.00 H new ATOM 1530 N PRO A 103 13.715 9.213 -7.545 1.00 0.00 N ATOM 1531 CA PRO A 103 14.549 9.503 -6.376 1.00 0.00 C ATOM 1532 C PRO A 103 15.207 10.878 -6.451 1.00 0.00 C ATOM 1533 O PRO A 103 15.146 11.550 -7.480 1.00 0.00 O ATOM 1534 CB PRO A 103 15.604 8.402 -6.434 1.00 0.00 C ATOM 1535 CG PRO A 103 15.766 8.118 -7.889 1.00 0.00 C ATOM 1536 CD PRO A 103 14.420 8.362 -8.524 1.00 0.00 C ATOM 0 HA PRO A 103 13.971 9.522 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.543 8.728 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.282 7.514 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.525 8.765 -8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.091 7.090 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.518 8.860 -9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.886 7.428 -8.700 1.00 0.00 H new ATOM 1601 N LEU A 108 15.997 9.081 -0.980 1.00 0.00 N ATOM 1602 CA LEU A 108 14.758 9.851 -0.918 1.00 0.00 C ATOM 1603 C LEU A 108 14.101 9.911 -2.293 1.00 0.00 C ATOM 1604 O LEU A 108 14.712 10.363 -3.260 1.00 0.00 O ATOM 1605 CB LEU A 108 15.025 11.272 -0.396 1.00 0.00 C ATOM 1606 CG LEU A 108 16.445 11.533 0.121 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.724 13.026 0.185 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.644 10.895 1.488 1.00 0.00 C ATOM 0 HA LEU A 108 14.081 9.351 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.814 11.980 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.320 11.482 0.409 1.00 0.00 H new ATOM 0 HG LEU A 108 17.151 11.080 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.736 13.192 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.626 13.458 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.010 13.501 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.658 11.092 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.929 11.317 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.488 9.819 1.413 1.00 0.00 H new ATOM 1620 N ASP A 109 12.859 9.443 -2.380 1.00 0.00 N ATOM 1621 CA ASP A 109 12.141 9.442 -3.650 1.00 0.00 C ATOM 1622 C ASP A 109 10.667 9.793 -3.467 1.00 0.00 C ATOM 1623 O ASP A 109 10.083 9.550 -2.411 1.00 0.00 O ATOM 1624 CB ASP A 109 12.265 8.073 -4.324 1.00 0.00 C ATOM 1625 CG ASP A 109 11.635 6.965 -3.503 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.410 6.755 -3.630 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.367 6.306 -2.734 1.00 0.00 O ATOM 0 H ASP A 109 12.333 9.063 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 109 12.593 10.206 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.790 8.110 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.318 7.846 -4.488 1.00 0.00 H new ATOM 1632 N ILE A 110 10.073 10.357 -4.515 1.00 0.00 N ATOM 1633 CA ILE A 110 8.666 10.736 -4.496 1.00 0.00 C ATOM 1634 C ILE A 110 7.888 9.938 -5.539 1.00 0.00 C ATOM 1635 O ILE A 110 8.422 9.611 -6.598 1.00 0.00 O ATOM 1636 CB ILE A 110 8.484 12.245 -4.769 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.966 12.601 -6.180 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.230 13.067 -3.726 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.942 13.361 -6.993 1.00 0.00 C ATOM 0 H ILE A 110 10.549 10.562 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 110 8.281 10.515 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 110 7.422 12.481 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.875 13.198 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.230 11.684 -6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.092 14.128 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.841 12.836 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.292 12.825 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.350 13.580 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.041 12.757 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.696 14.295 -6.487 1.00 0.00 H new ATOM 1651 N TYR A 111 6.632 9.619 -5.240 1.00 0.00 N ATOM 1652 CA TYR A 111 5.814 8.852 -6.172 1.00 0.00 C ATOM 1653 C TYR A 111 4.327 9.135 -5.982 1.00 0.00 C ATOM 1654 O TYR A 111 3.890 9.546 -4.907 1.00 0.00 O ATOM 1655 CB TYR A 111 6.083 7.355 -6.002 1.00 0.00 C ATOM 1656 CG TYR A 111 5.590 6.792 -4.687 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.240 6.533 -4.485 1.00 0.00 C ATOM 1658 CD2 TYR A 111 6.473 6.521 -3.650 1.00 0.00 C ATOM 1659 CE1 TYR A 111 3.784 6.020 -3.286 1.00 0.00 C ATOM 1660 CE2 TYR A 111 6.025 6.007 -2.448 1.00 0.00 C ATOM 1661 CZ TYR A 111 4.680 5.759 -2.271 1.00 0.00 C ATOM 1662 OH TYR A 111 4.230 5.248 -1.075 1.00 0.00 O ATOM 0 H TYR A 111 6.164 9.876 -4.371 1.00 0.00 H new ATOM 0 HA TYR A 111 6.088 9.160 -7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.606 6.814 -6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.155 7.176 -6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.536 6.736 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.527 6.715 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.731 5.824 -3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.724 5.801 -1.651 1.00 0.00 H new ATOM 0 HH TYR A 111 4.989 4.899 -0.562 1.00 0.00 H new ATOM 1672 N THR A 112 3.556 8.898 -7.039 1.00 0.00 N ATOM 1673 CA THR A 112 2.114 9.111 -7.007 1.00 0.00 C ATOM 1674 C THR A 112 1.393 7.945 -7.677 1.00 0.00 C ATOM 1675 O THR A 112 1.807 7.478 -8.739 1.00 0.00 O ATOM 1676 CB THR A 112 1.753 10.422 -7.706 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.178 10.405 -9.057 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.365 11.640 -7.048 1.00 0.00 C ATOM 0 H THR A 112 3.909 8.556 -7.933 1.00 0.00 H new ATOM 0 HA THR A 112 1.796 9.171 -5.966 1.00 0.00 H new ATOM 0 HB THR A 112 0.668 10.497 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.936 11.252 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.069 12.536 -7.594 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.016 11.711 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.451 11.552 -7.058 1.00 0.00 H new ATOM 1686 N ARG A 113 0.321 7.470 -7.050 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.441 6.351 -7.593 1.00 0.00 C ATOM 1688 C ARG A 113 -1.865 6.766 -7.954 1.00 0.00 C ATOM 1689 O ARG A 113 -2.584 7.344 -7.137 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.470 5.192 -6.593 1.00 0.00 C ATOM 1691 CG ARG A 113 -1.233 5.503 -5.312 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.426 4.575 -5.127 1.00 0.00 C ATOM 1693 NE ARG A 113 -3.671 5.314 -4.929 1.00 0.00 N ATOM 1694 CZ ARG A 113 -4.100 5.746 -3.744 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -3.388 5.521 -2.647 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -5.245 6.409 -3.658 1.00 0.00 N ATOM 0 H ARG A 113 -0.038 7.840 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 113 0.056 6.024 -8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.921 4.323 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.554 4.919 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.563 5.409 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.577 6.537 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.522 3.930 -6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.250 3.925 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.247 5.511 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.505 5.014 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.724 5.855 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -5.795 6.587 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.575 6.741 -2.752 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.264 6.457 -9.186 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.602 6.784 -9.671 1.00 0.00 C ATOM 1712 C LEU A 114 -4.287 5.538 -10.227 1.00 0.00 C ATOM 1713 O LEU A 114 -3.751 4.865 -11.110 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.529 7.873 -10.749 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.858 8.199 -11.442 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.937 9.680 -11.794 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -5.030 7.344 -12.690 1.00 0.00 C ATOM 0 H LEU A 114 -1.676 5.979 -9.869 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.189 7.160 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.141 8.785 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.809 7.563 -11.507 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.669 7.971 -10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.888 9.887 -12.284 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.861 10.275 -10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.119 9.938 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.978 7.587 -13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.211 7.542 -13.382 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.024 6.290 -12.413 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.469 5.229 -9.699 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.201 4.061 -10.154 1.00 0.00 C ATOM 1731 C GLY A 115 -7.506 3.868 -9.407 1.00 0.00 C ATOM 1732 O GLY A 115 -8.268 4.817 -9.226 1.00 0.00 O ATOM 0 H GLY A 115 -5.931 5.766 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.407 4.157 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.579 3.175 -10.028 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.768 2.638 -8.972 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.994 2.361 -8.248 1.00 0.00 C ATOM 1738 C GLY A 116 -8.869 1.182 -7.304 1.00 0.00 C ATOM 1739 O GLY A 116 -7.891 0.437 -7.353 1.00 0.00 O ATOM 0 H GLY A 116 -7.156 1.833 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.282 3.246 -7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.795 2.165 -8.961 1.00 0.00 H new ATOM 1743 N MET A 117 -9.868 1.015 -6.443 1.00 0.00 N ATOM 1744 CA MET A 117 -9.876 -0.079 -5.479 1.00 0.00 C ATOM 1745 C MET A 117 -11.081 -0.986 -5.702 1.00 0.00 C ATOM 1746 O MET A 117 -12.175 -0.515 -6.019 1.00 0.00 O ATOM 1747 CB MET A 117 -9.894 0.471 -4.051 1.00 0.00 C ATOM 1748 CG MET A 117 -8.858 1.556 -3.802 1.00 0.00 C ATOM 1749 SD MET A 117 -7.622 1.074 -2.579 1.00 0.00 S ATOM 1750 CE MET A 117 -7.139 2.675 -1.937 1.00 0.00 C ATOM 0 H MET A 117 -10.684 1.625 -6.394 1.00 0.00 H new ATOM 0 HA MET A 117 -8.968 -0.665 -5.622 1.00 0.00 H new ATOM 0 HB2 MET A 117 -10.885 0.871 -3.837 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.724 -0.349 -3.353 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.359 1.798 -4.740 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.361 2.462 -3.466 1.00 0.00 H new ATOM 0 HE1 MET A 117 -6.340 2.548 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.787 3.304 -2.755 1.00 0.00 H new ATOM 0 HE3 MET A 117 -7.996 3.149 -1.458 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.872 -2.289 -5.534 1.00 0.00 N ATOM 1761 CA VAL A 118 -11.939 -3.265 -5.717 1.00 0.00 C ATOM 1762 C VAL A 118 -11.938 -4.285 -4.583 1.00 0.00 C ATOM 1763 O VAL A 118 -11.015 -5.089 -4.461 1.00 0.00 O ATOM 1764 CB VAL A 118 -11.808 -4.012 -7.062 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.164 -4.528 -7.519 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.187 -3.116 -8.128 1.00 0.00 C ATOM 0 H VAL A 118 -9.973 -2.692 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.877 -2.711 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.145 -4.865 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.053 -5.052 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.563 -5.213 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.849 -3.689 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.106 -3.667 -9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.816 -2.238 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.194 -2.801 -7.806 1.00 0.00 H new ATOM 1776 N TRP A 119 -12.974 -4.245 -3.750 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.082 -5.166 -2.624 1.00 0.00 C ATOM 1778 C TRP A 119 -14.444 -5.852 -2.604 1.00 0.00 C ATOM 1779 O TRP A 119 -15.399 -5.380 -3.221 1.00 0.00 O ATOM 1780 CB TRP A 119 -12.853 -4.423 -1.307 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.692 -3.189 -1.167 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.284 -1.897 -1.335 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -15.082 -3.131 -0.827 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -14.335 -1.039 -1.120 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -15.450 -1.772 -0.808 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -16.051 -4.096 -0.539 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -16.745 -1.356 -0.511 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -17.337 -3.681 -0.244 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -17.673 -2.322 -0.233 1.00 0.00 C ATOM 0 H TRP A 119 -13.748 -3.586 -3.833 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.315 -5.931 -2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.068 -5.096 -0.477 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.801 -4.149 -1.231 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.281 -1.594 -1.598 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.292 -0.022 -1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.800 -5.146 -0.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.008 -0.308 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.094 -4.417 -0.018 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.686 -2.030 -0.000 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.391 -1.061 -5.408 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.438 -0.539 -6.381 1.00 0.00 C ATOM 2093 C VAL A 141 -15.450 0.987 -6.399 1.00 0.00 C ATOM 2094 O VAL A 141 -16.511 1.606 -6.489 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.741 -1.065 -7.798 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.128 -0.632 -8.247 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.682 -0.594 -8.784 1.00 0.00 C ATOM 0 HA VAL A 141 -14.450 -0.885 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.718 -2.154 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.322 -1.014 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.874 -1.028 -7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.184 0.457 -8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.915 -0.976 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.667 0.496 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.705 -0.964 -8.473 1.00 0.00 H new ATOM 2107 N SER A 142 -14.267 1.589 -6.312 1.00 0.00 N ATOM 2108 CA SER A 142 -14.156 3.044 -6.320 1.00 0.00 C ATOM 2109 C SER A 142 -12.765 3.494 -6.771 1.00 0.00 C ATOM 2110 O SER A 142 -11.755 2.955 -6.320 1.00 0.00 O ATOM 2111 CB SER A 142 -14.455 3.604 -4.928 1.00 0.00 C ATOM 2112 OG SER A 142 -14.118 2.668 -3.918 1.00 0.00 O ATOM 0 H SER A 142 -13.378 1.096 -6.236 1.00 0.00 H new ATOM 0 HA SER A 142 -14.887 3.430 -7.031 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.894 4.526 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.512 3.858 -4.854 1.00 0.00 H new ATOM 0 HG SER A 142 -14.317 3.051 -3.038 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.695 4.497 -7.668 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.423 5.019 -8.171 1.00 0.00 C ATOM 2120 C PRO A 143 -10.772 5.989 -7.190 1.00 0.00 C ATOM 2121 O PRO A 143 -11.459 6.774 -6.537 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.835 5.747 -9.447 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.220 6.225 -9.173 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.850 5.204 -8.259 1.00 0.00 C ATOM 0 HA PRO A 143 -10.684 4.234 -8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.164 6.578 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.808 5.082 -10.310 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.206 7.209 -8.705 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.788 6.321 -10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.463 5.678 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.498 4.521 -8.809 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.446 5.934 -7.087 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.719 6.815 -6.180 1.00 0.00 C ATOM 2134 C VAL A 144 -7.268 6.989 -6.615 1.00 0.00 C ATOM 2135 O VAL A 144 -6.721 6.160 -7.342 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.745 6.282 -4.734 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -10.168 6.249 -4.199 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -8.105 4.902 -4.660 1.00 0.00 C ATOM 0 H VAL A 144 -8.857 5.292 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.223 7.781 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 144 -8.164 6.960 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -10.164 5.870 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.584 7.256 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.777 5.597 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.133 4.543 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.654 4.212 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.070 4.963 -4.995 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.650 8.073 -6.157 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.260 8.362 -6.488 1.00 0.00 C ATOM 2150 C PHE A 145 -4.583 9.118 -5.348 1.00 0.00 C ATOM 2151 O PHE A 145 -5.056 10.174 -4.926 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.178 9.177 -7.781 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.788 10.546 -7.672 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.150 10.698 -7.465 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.999 11.680 -7.777 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.713 11.956 -7.364 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.556 12.940 -7.677 1.00 0.00 C ATOM 2158 CZ PHE A 145 -6.915 13.079 -7.471 1.00 0.00 C ATOM 0 H PHE A 145 -7.092 8.767 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.739 7.416 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -4.132 9.277 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.679 8.628 -8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.778 9.824 -7.382 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.936 11.578 -7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.776 12.061 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.930 13.816 -7.760 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.353 14.063 -7.394 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.478 8.571 -4.850 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.747 9.199 -3.755 1.00 0.00 C ATOM 2170 C ALA A 146 -1.321 9.543 -4.169 1.00 0.00 C ATOM 2171 O ALA A 146 -0.847 9.115 -5.221 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.739 8.289 -2.537 1.00 0.00 C ATOM 0 H ALA A 146 -3.071 7.698 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 146 -3.256 10.128 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.190 8.770 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.764 8.099 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.257 7.345 -2.791 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.641 10.321 -3.332 1.00 0.00 N ATOM 2179 CA GLY A 147 0.725 10.711 -3.625 1.00 0.00 C ATOM 2180 C GLY A 147 1.527 10.991 -2.370 1.00 0.00 C ATOM 2181 O GLY A 147 1.023 11.605 -1.429 1.00 0.00 O ATOM 0 H GLY A 147 -1.013 10.688 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.212 9.920 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.719 11.600 -4.255 1.00 0.00 H new ATOM 2185 N GLY A 148 2.776 10.541 -2.353 1.00 0.00 N ATOM 2186 CA GLY A 148 3.623 10.757 -1.195 1.00 0.00 C ATOM 2187 C GLY A 148 5.098 10.606 -1.511 1.00 0.00 C ATOM 2188 O GLY A 148 5.506 10.697 -2.671 1.00 0.00 O ATOM 0 H GLY A 148 3.217 10.031 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.441 11.756 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.349 10.049 -0.413 1.00 0.00 H new ATOM 2192 N VAL A 149 5.898 10.372 -0.476 1.00 0.00 N ATOM 2193 CA VAL A 149 7.337 10.206 -0.645 1.00 0.00 C ATOM 2194 C VAL A 149 7.829 8.954 0.073 1.00 0.00 C ATOM 2195 O VAL A 149 7.107 8.367 0.879 1.00 0.00 O ATOM 2196 CB VAL A 149 8.115 11.429 -0.119 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.983 12.607 -1.077 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.635 11.808 1.274 1.00 0.00 C ATOM 0 H VAL A 149 5.574 10.293 0.488 1.00 0.00 H new ATOM 0 HA VAL A 149 7.521 10.107 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 149 9.170 11.163 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.540 13.458 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.383 12.329 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.932 12.877 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.195 12.673 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.573 12.053 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.792 10.970 1.953 1.00 0.00 H new ATOM 2208 N GLU A 150 9.060 8.545 -0.224 1.00 0.00 N ATOM 2209 CA GLU A 150 9.636 7.357 0.397 1.00 0.00 C ATOM 2210 C GLU A 150 11.077 7.605 0.829 1.00 0.00 C ATOM 2211 O GLU A 150 11.804 8.371 0.195 1.00 0.00 O ATOM 2212 CB GLU A 150 9.579 6.173 -0.569 1.00 0.00 C ATOM 2213 CG GLU A 150 10.064 4.868 0.041 1.00 0.00 C ATOM 2214 CD GLU A 150 9.312 3.662 -0.488 1.00 0.00 C ATOM 2215 OE1 GLU A 150 8.154 3.830 -0.927 1.00 0.00 O ATOM 2216 OE2 GLU A 150 9.881 2.551 -0.464 1.00 0.00 O ATOM 0 H GLU A 150 9.675 9.017 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 150 9.048 7.125 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.553 6.044 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.184 6.401 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.127 4.748 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.953 4.914 1.124 1.00 0.00 H new ATOM 2223 N TRP A 151 11.482 6.947 1.910 1.00 0.00 N ATOM 2224 CA TRP A 151 12.837 7.089 2.431 1.00 0.00 C ATOM 2225 C TRP A 151 13.460 5.722 2.700 1.00 0.00 C ATOM 2226 O TRP A 151 12.863 4.880 3.371 1.00 0.00 O ATOM 2227 CB TRP A 151 12.829 7.919 3.716 1.00 0.00 C ATOM 2228 CG TRP A 151 12.371 9.330 3.508 1.00 0.00 C ATOM 2229 CD1 TRP A 151 12.793 10.195 2.539 1.00 0.00 C ATOM 2230 CD2 TRP A 151 11.403 10.041 4.288 1.00 0.00 C ATOM 2231 NE1 TRP A 151 12.146 11.400 2.669 1.00 0.00 N ATOM 2232 CE2 TRP A 151 11.288 11.331 3.735 1.00 0.00 C ATOM 2233 CE3 TRP A 151 10.622 9.713 5.399 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 10.423 12.290 4.256 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 9.765 10.666 5.916 1.00 0.00 C ATOM 2236 CH2 TRP A 151 9.671 11.941 5.344 1.00 0.00 C ATOM 0 H TRP A 151 10.891 6.309 2.443 1.00 0.00 H new ATOM 0 HA TRP A 151 13.437 7.603 1.680 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.179 7.438 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.833 7.929 4.140 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.528 9.965 1.781 1.00 0.00 H new ATOM 0 HE1 TRP A 151 12.282 12.214 2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.687 8.732 5.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 10.349 13.274 3.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 9.158 10.424 6.775 1.00 0.00 H new ATOM 0 HH2 TRP A 151 8.991 12.663 5.771 1.00 0.00 H new ATOM 2247 N ALA A 152 14.660 5.508 2.171 1.00 0.00 N ATOM 2248 CA ALA A 152 15.359 4.242 2.352 1.00 0.00 C ATOM 2249 C ALA A 152 16.372 4.326 3.489 1.00 0.00 C ATOM 2250 O ALA A 152 17.273 5.164 3.471 1.00 0.00 O ATOM 2251 CB ALA A 152 16.047 3.830 1.060 1.00 0.00 C ATOM 0 H ALA A 152 15.168 6.195 1.614 1.00 0.00 H new ATOM 0 HA ALA A 152 14.621 3.485 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.565 2.883 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.303 3.716 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.767 4.596 0.771 1.00 0.00 H new ATOM 2257 N VAL A 153 16.218 3.449 4.476 1.00 0.00 N ATOM 2258 CA VAL A 153 17.119 3.417 5.621 1.00 0.00 C ATOM 2259 C VAL A 153 17.988 2.164 5.596 1.00 0.00 C ATOM 2260 O VAL A 153 19.209 2.245 5.458 1.00 0.00 O ATOM 2261 CB VAL A 153 16.342 3.464 6.951 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.300 3.520 8.132 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.391 4.651 6.971 1.00 0.00 C ATOM 0 H VAL A 153 15.476 2.750 4.505 1.00 0.00 H new ATOM 0 HA VAL A 153 17.754 4.300 5.551 1.00 0.00 H new ATOM 0 HB VAL A 153 15.752 2.551 7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.731 3.553 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.936 2.635 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.920 4.413 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.851 4.668 7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.959 5.574 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.680 4.562 6.149 1.00 0.00 H new ATOM 2323 N ILE A 157 14.917 -2.433 3.843 1.00 0.00 N ATOM 2324 CA ILE A 157 13.806 -1.983 4.674 1.00 0.00 C ATOM 2325 C ILE A 157 13.692 -0.462 4.667 1.00 0.00 C ATOM 2326 O ILE A 157 14.435 0.229 5.363 1.00 0.00 O ATOM 2327 CB ILE A 157 13.956 -2.467 6.130 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.337 -3.948 6.166 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.666 -2.227 6.901 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.488 -4.501 7.567 1.00 0.00 C ATOM 0 HA ILE A 157 12.901 -2.415 4.247 1.00 0.00 H new ATOM 0 HB ILE A 157 14.754 -1.897 6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.577 -4.523 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.274 -4.087 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.786 -2.573 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.436 -1.162 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.851 -2.774 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.759 -5.556 7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.269 -3.952 8.093 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.545 -4.395 8.104 1.00 0.00 H new ATOM 2342 N ALA A 158 12.755 0.052 3.876 1.00 0.00 N ATOM 2343 CA ALA A 158 12.543 1.491 3.779 1.00 0.00 C ATOM 2344 C ALA A 158 11.171 1.884 4.319 1.00 0.00 C ATOM 2345 O ALA A 158 10.314 1.031 4.549 1.00 0.00 O ATOM 2346 CB ALA A 158 12.692 1.946 2.335 1.00 0.00 C ATOM 0 H ALA A 158 12.131 -0.507 3.294 1.00 0.00 H new ATOM 0 HA ALA A 158 13.299 1.987 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.532 3.022 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.695 1.708 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 158 11.957 1.434 1.714 1.00 0.00 H new ATOM 2352 N THR A 159 10.970 3.184 4.514 1.00 0.00 N ATOM 2353 CA THR A 159 9.703 3.700 5.021 1.00 0.00 C ATOM 2354 C THR A 159 9.149 4.763 4.080 1.00 0.00 C ATOM 2355 O THR A 159 9.907 5.528 3.483 1.00 0.00 O ATOM 2356 CB THR A 159 9.888 4.285 6.422 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.593 5.513 6.364 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.642 3.367 7.360 1.00 0.00 C ATOM 0 H THR A 159 11.671 3.901 4.328 1.00 0.00 H new ATOM 0 HA THR A 159 8.992 2.875 5.077 1.00 0.00 H new ATOM 0 HB THR A 159 8.880 4.426 6.811 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.700 5.872 7.270 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.738 3.843 8.336 1.00 0.00 H new ATOM 0 HG22 THR A 159 10.098 2.428 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 159 11.634 3.168 6.955 1.00 0.00 H new ATOM 2366 N ARG A 160 7.828 4.804 3.940 1.00 0.00 N ATOM 2367 CA ARG A 160 7.195 5.774 3.057 1.00 0.00 C ATOM 2368 C ARG A 160 5.958 6.400 3.694 1.00 0.00 C ATOM 2369 O ARG A 160 5.298 5.790 4.540 1.00 0.00 O ATOM 2370 CB ARG A 160 6.813 5.109 1.732 1.00 0.00 C ATOM 2371 CG ARG A 160 6.027 3.818 1.902 1.00 0.00 C ATOM 2372 CD ARG A 160 4.627 4.082 2.432 1.00 0.00 C ATOM 2373 NE ARG A 160 3.634 3.197 1.829 1.00 0.00 N ATOM 2374 CZ ARG A 160 3.594 1.883 2.028 1.00 0.00 C ATOM 2375 NH1 ARG A 160 4.498 1.294 2.802 1.00 0.00 N ATOM 2376 NH2 ARG A 160 2.650 1.154 1.451 1.00 0.00 N ATOM 0 H ARG A 160 7.180 4.182 4.423 1.00 0.00 H new ATOM 0 HA ARG A 160 7.917 6.570 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.222 5.809 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.720 4.900 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.963 3.301 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.557 3.156 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.619 3.951 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.355 5.119 2.235 1.00 0.00 H new ATOM 0 HE ARG A 160 2.929 3.612 1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 160 5.228 1.850 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.462 0.286 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.954 1.601 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.619 0.146 1.604 1.00 0.00 H new ATOM 2390 N LEU A 161 5.645 7.617 3.261 1.00 0.00 N ATOM 2391 CA LEU A 161 4.481 8.341 3.755 1.00 0.00 C ATOM 2392 C LEU A 161 3.615 8.793 2.584 1.00 0.00 C ATOM 2393 O LEU A 161 4.095 9.467 1.667 1.00 0.00 O ATOM 2394 CB LEU A 161 4.911 9.552 4.589 1.00 0.00 C ATOM 2395 CG LEU A 161 3.966 9.915 5.739 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.542 11.057 6.564 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.588 10.281 5.203 1.00 0.00 C ATOM 0 H LEU A 161 6.187 8.126 2.563 1.00 0.00 H new ATOM 0 HA LEU A 161 3.902 7.673 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.902 9.358 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.004 10.414 3.929 1.00 0.00 H new ATOM 0 HG LEU A 161 3.861 9.044 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.857 11.301 7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.504 10.757 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.678 11.932 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.930 10.536 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.674 11.136 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.173 9.433 4.658 1.00 0.00 H new ATOM 2409 N GLU A 162 2.343 8.406 2.612 1.00 0.00 N ATOM 2410 CA GLU A 162 1.414 8.760 1.545 1.00 0.00 C ATOM 2411 C GLU A 162 0.431 9.830 2.004 1.00 0.00 C ATOM 2412 O GLU A 162 0.017 9.853 3.164 1.00 0.00 O ATOM 2413 CB GLU A 162 0.651 7.520 1.075 1.00 0.00 C ATOM 2414 CG GLU A 162 1.318 6.797 -0.083 1.00 0.00 C ATOM 2415 CD GLU A 162 0.324 6.320 -1.123 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -0.817 5.983 -0.743 1.00 0.00 O ATOM 2417 OE2 GLU A 162 0.685 6.282 -2.318 1.00 0.00 O ATOM 0 H GLU A 162 1.933 7.848 3.361 1.00 0.00 H new ATOM 0 HA GLU A 162 1.994 9.162 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.547 6.829 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.355 7.814 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 162 2.040 7.463 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 162 1.876 5.942 0.300 1.00 0.00 H new ATOM 2424 N TYR A 163 0.062 10.713 1.079 1.00 0.00 N ATOM 2425 CA TYR A 163 -0.874 11.792 1.372 1.00 0.00 C ATOM 2426 C TYR A 163 -1.971 11.855 0.312 1.00 0.00 C ATOM 2427 O TYR A 163 -1.855 11.246 -0.753 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.135 13.131 1.445 1.00 0.00 C ATOM 2429 CG TYR A 163 -0.002 13.675 2.850 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.523 12.893 3.871 1.00 0.00 C ATOM 2431 CD2 TYR A 163 -0.401 14.970 3.154 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.646 13.387 5.156 1.00 0.00 C ATOM 2433 CE2 TYR A 163 -0.280 15.472 4.436 1.00 0.00 C ATOM 2434 CZ TYR A 163 0.244 14.676 5.433 1.00 0.00 C ATOM 2435 OH TYR A 163 0.365 15.172 6.711 1.00 0.00 O ATOM 0 H TYR A 163 0.400 10.701 0.117 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.337 11.592 2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.860 13.011 1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.662 13.861 0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 163 0.840 11.883 3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -0.813 15.595 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 163 1.055 12.766 5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -0.594 16.482 4.656 1.00 0.00 H new ATOM 0 HH TYR A 163 0.037 16.095 6.736 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.035 12.595 0.611 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.153 12.735 -0.315 1.00 0.00 C ATOM 2447 C GLN A 164 -3.863 13.801 -1.368 1.00 0.00 C ATOM 2448 O GLN A 164 -4.285 13.681 -2.518 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.432 13.090 0.446 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.267 14.257 1.406 1.00 0.00 C ATOM 2451 CD GLN A 164 -6.249 15.381 1.136 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -6.066 16.171 0.211 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.298 15.457 1.947 1.00 0.00 N ATOM 0 H GLN A 164 -3.146 13.106 1.487 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.291 11.780 -0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -6.217 13.329 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -5.767 12.216 1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -5.399 13.903 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -4.250 14.643 1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -7.409 14.780 2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.992 16.193 1.815 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.174 9.598 3.450 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.914 9.790 4.157 1.00 0.00 C ATOM 2726 C LEU A 184 -2.643 8.628 5.107 1.00 0.00 C ATOM 2727 O LEU A 184 -3.543 8.170 5.811 1.00 0.00 O ATOM 2728 CB LEU A 184 -2.936 11.107 4.936 1.00 0.00 C ATOM 2729 CG LEU A 184 -3.594 12.280 4.205 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -5.054 12.410 4.610 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -2.844 13.573 4.488 1.00 0.00 C ATOM 0 HA LEU A 184 -2.113 9.828 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -3.460 10.946 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -1.911 11.382 5.184 1.00 0.00 H new ATOM 0 HG LEU A 184 -3.551 12.085 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -5.505 13.249 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -5.585 11.493 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -5.120 12.582 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -3.326 14.396 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -2.855 13.773 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -1.813 13.478 4.147 1.00 0.00 H new ATOM 2743 N SER A 185 -1.401 8.152 5.123 1.00 0.00 N ATOM 2744 CA SER A 185 -1.029 7.039 5.993 1.00 0.00 C ATOM 2745 C SER A 185 0.481 6.814 6.001 1.00 0.00 C ATOM 2746 O SER A 185 1.206 7.343 5.155 1.00 0.00 O ATOM 2747 CB SER A 185 -1.740 5.761 5.546 1.00 0.00 C ATOM 2748 OG SER A 185 -1.618 5.572 4.146 1.00 0.00 O ATOM 0 H SER A 185 -0.640 8.515 4.549 1.00 0.00 H new ATOM 0 HA SER A 185 -1.339 7.293 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.317 4.904 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 185 -2.794 5.813 5.819 1.00 0.00 H new ATOM 0 HG SER A 185 -0.853 6.086 3.812 1.00 0.00 H new ATOM 2754 N LEU A 186 0.945 6.014 6.961 1.00 0.00 N ATOM 2755 CA LEU A 186 2.368 5.703 7.083 1.00 0.00 C ATOM 2756 C LEU A 186 2.603 4.212 6.870 1.00 0.00 C ATOM 2757 O LEU A 186 1.818 3.384 7.331 1.00 0.00 O ATOM 2758 CB LEU A 186 2.901 6.116 8.461 1.00 0.00 C ATOM 2759 CG LEU A 186 2.249 7.358 9.078 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.246 6.959 10.152 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.310 8.285 9.660 1.00 0.00 C ATOM 0 H LEU A 186 0.356 5.570 7.665 1.00 0.00 H new ATOM 0 HA LEU A 186 2.903 6.265 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.769 5.280 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.973 6.294 8.378 1.00 0.00 H new ATOM 0 HG LEU A 186 1.717 7.892 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.794 7.855 10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.469 6.335 9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.756 6.401 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.829 9.162 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.869 7.758 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.992 8.599 8.870 1.00 0.00 H new ATOM 2773 N GLY A 187 3.681 3.868 6.168 1.00 0.00 N ATOM 2774 CA GLY A 187 3.967 2.466 5.919 1.00 0.00 C ATOM 2775 C GLY A 187 5.438 2.181 5.691 1.00 0.00 C ATOM 2776 O GLY A 187 6.248 3.098 5.554 1.00 0.00 O ATOM 0 H GLY A 187 4.353 4.526 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.618 1.876 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.402 2.137 5.047 1.00 0.00 H new ATOM 2780 N VAL A 188 5.775 0.895 5.640 1.00 0.00 N ATOM 2781 CA VAL A 188 7.151 0.463 5.415 1.00 0.00 C ATOM 2782 C VAL A 188 7.204 -0.585 4.307 1.00 0.00 C ATOM 2783 O VAL A 188 6.336 -1.454 4.225 1.00 0.00 O ATOM 2784 CB VAL A 188 7.791 -0.118 6.695 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.375 0.996 7.551 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.782 -0.934 7.491 1.00 0.00 C ATOM 0 H VAL A 188 5.110 0.130 5.752 1.00 0.00 H new ATOM 0 HA VAL A 188 7.719 1.345 5.120 1.00 0.00 H new ATOM 0 HB VAL A 188 8.599 -0.785 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.822 0.569 8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.138 1.529 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.584 1.690 7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.260 -1.331 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 188 5.945 -0.298 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.417 -1.759 6.879 1.00 0.00 H new ATOM 2796 N SER A 189 8.216 -0.494 3.449 1.00 0.00 N ATOM 2797 CA SER A 189 8.357 -1.435 2.343 1.00 0.00 C ATOM 2798 C SER A 189 9.793 -1.927 2.208 1.00 0.00 C ATOM 2799 O SER A 189 10.691 -1.466 2.913 1.00 0.00 O ATOM 2800 CB SER A 189 7.908 -0.781 1.035 1.00 0.00 C ATOM 2801 OG SER A 189 8.807 0.240 0.639 1.00 0.00 O ATOM 0 H SER A 189 8.946 0.217 3.498 1.00 0.00 H new ATOM 0 HA SER A 189 7.723 -2.296 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.843 -1.536 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.909 -0.362 1.159 1.00 0.00 H new ATOM 0 HG SER A 189 8.309 0.965 0.206 1.00 0.00 H new ATOM 2807 N TYR A 190 9.999 -2.867 1.290 1.00 0.00 N ATOM 2808 CA TYR A 190 11.321 -3.431 1.048 1.00 0.00 C ATOM 2809 C TYR A 190 11.504 -3.761 -0.430 1.00 0.00 C ATOM 2810 O TYR A 190 10.540 -4.083 -1.128 1.00 0.00 O ATOM 2811 CB TYR A 190 11.524 -4.690 1.892 1.00 0.00 C ATOM 2812 CG TYR A 190 10.536 -5.792 1.582 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.263 -5.787 2.139 1.00 0.00 C ATOM 2814 CD2 TYR A 190 10.876 -6.836 0.731 1.00 0.00 C ATOM 2815 CE1 TYR A 190 8.357 -6.792 1.857 1.00 0.00 C ATOM 2816 CE2 TYR A 190 9.975 -7.844 0.444 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.718 -7.817 1.009 1.00 0.00 C ATOM 2818 OH TYR A 190 7.818 -8.819 0.726 1.00 0.00 O ATOM 0 H TYR A 190 9.263 -3.255 0.700 1.00 0.00 H new ATOM 0 HA TYR A 190 12.066 -2.688 1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.535 -5.065 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.443 -4.427 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 190 8.977 -4.985 2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 190 11.860 -6.860 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 190 7.372 -6.774 2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 190 10.254 -8.649 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 190 8.228 -9.463 0.112 1.00 0.00 H new ATOM 2828 N ARG A 191 12.744 -3.680 -0.902 1.00 0.00 N ATOM 2829 CA ARG A 191 13.051 -3.971 -2.297 1.00 0.00 C ATOM 2830 C ARG A 191 13.114 -5.476 -2.539 1.00 0.00 C ATOM 2831 O ARG A 191 13.339 -6.254 -1.612 1.00 0.00 O ATOM 2832 CB ARG A 191 14.379 -3.323 -2.694 1.00 0.00 C ATOM 2833 CG ARG A 191 14.357 -1.804 -2.635 1.00 0.00 C ATOM 2834 CD ARG A 191 15.471 -1.261 -1.752 1.00 0.00 C ATOM 2835 NE ARG A 191 15.831 0.110 -2.105 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.585 0.432 -3.153 1.00 0.00 C ATOM 2837 NH1 ARG A 191 17.058 -0.513 -3.955 1.00 0.00 N ATOM 2838 NH2 ARG A 191 16.866 1.704 -3.401 1.00 0.00 N ATOM 0 H ARG A 191 13.552 -3.415 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 191 12.253 -3.556 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 191 15.165 -3.692 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 191 14.638 -3.635 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.460 -1.399 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 191 13.393 -1.468 -2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 191 15.156 -1.296 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 191 16.349 -1.901 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 191 15.484 0.865 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 191 16.844 -1.493 -3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 191 17.635 -0.260 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.504 2.435 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 191 17.444 1.951 -4.204 1.00 0.00 H new