USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 27:sc= 0.716 USER MOD Single : A 20 TYR OH : rot 180:sc=-0.00975 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.348 (180deg=-2.08) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.3) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.36) USER MOD Single : A 95 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.38) USER MOD Single : A 97 THR OG1 : rot -39:sc= -2.17 USER MOD Single : A 99 LYS NZ :NH3+ -107:sc= -0.522 (180deg=-2.56!) USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0802 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 174:sc= -0.412 (180deg=-0.498) USER MOD Single : A 142 SER OG : rot 180:sc= -0.975 USER MOD Single : A 159 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 163 TYR OH : rot 0:sc= -2.4! USER MOD Single : A 164 GLN : amide:sc= -0.185 K(o=-0.18,f=-5.2!) USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 160:sc= -0.284 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.720 -3.846 -11.357 1.00 0.00 N ATOM 276 CA THR A 18 12.694 -3.406 -9.966 1.00 0.00 C ATOM 277 C THR A 18 11.349 -3.724 -9.322 1.00 0.00 C ATOM 278 O THR A 18 10.293 -3.407 -9.875 1.00 0.00 O ATOM 279 CB THR A 18 12.972 -1.906 -9.880 1.00 0.00 C ATOM 280 OG1 THR A 18 13.681 -1.460 -11.022 1.00 0.00 O ATOM 281 CG2 THR A 18 13.779 -1.517 -8.659 1.00 0.00 C ATOM 0 HA THR A 18 13.472 -3.944 -9.425 1.00 0.00 H new ATOM 0 HB THR A 18 11.992 -1.434 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.479 -2.045 -11.782 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.941 -0.439 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.236 -1.803 -7.758 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.741 -2.029 -8.681 1.00 0.00 H new ATOM 289 N TRP A 19 11.391 -4.351 -8.151 1.00 0.00 N ATOM 290 CA TRP A 19 10.175 -4.713 -7.432 1.00 0.00 C ATOM 291 C TRP A 19 10.148 -4.070 -6.050 1.00 0.00 C ATOM 292 O TRP A 19 11.189 -3.888 -5.417 1.00 0.00 O ATOM 293 CB TRP A 19 10.067 -6.234 -7.302 1.00 0.00 C ATOM 294 CG TRP A 19 9.761 -6.921 -8.598 1.00 0.00 C ATOM 295 CD1 TRP A 19 10.434 -6.786 -9.777 1.00 0.00 C ATOM 296 CD2 TRP A 19 8.700 -7.850 -8.844 1.00 0.00 C ATOM 297 NE1 TRP A 19 9.858 -7.576 -10.742 1.00 0.00 N ATOM 298 CE2 TRP A 19 8.790 -8.238 -10.194 1.00 0.00 C ATOM 299 CE3 TRP A 19 7.681 -8.392 -8.056 1.00 0.00 C ATOM 300 CZ2 TRP A 19 7.903 -9.143 -10.771 1.00 0.00 C ATOM 301 CZ3 TRP A 19 6.800 -9.289 -8.630 1.00 0.00 C ATOM 302 CH2 TRP A 19 6.917 -9.658 -9.975 1.00 0.00 C ATOM 0 H TRP A 19 12.255 -4.619 -7.679 1.00 0.00 H new ATOM 0 HA TRP A 19 9.323 -4.343 -8.002 1.00 0.00 H new ATOM 0 HB2 TRP A 19 11.004 -6.625 -6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.288 -6.475 -6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 19 11.294 -6.151 -9.929 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.174 -7.657 -11.709 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.584 -8.115 -7.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.990 -9.428 -11.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 6.008 -9.712 -8.030 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.214 -10.364 -10.393 1.00 0.00 H new ATOM 313 N TYR A 20 8.950 -3.729 -5.584 1.00 0.00 N ATOM 314 CA TYR A 20 8.785 -3.107 -4.277 1.00 0.00 C ATOM 315 C TYR A 20 7.523 -3.622 -3.589 1.00 0.00 C ATOM 316 O TYR A 20 6.467 -3.732 -4.212 1.00 0.00 O ATOM 317 CB TYR A 20 8.722 -1.584 -4.419 1.00 0.00 C ATOM 318 CG TYR A 20 9.661 -0.847 -3.491 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.711 -1.149 -2.137 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.497 0.153 -3.972 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.568 -0.476 -1.286 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.356 0.831 -3.127 1.00 0.00 C ATOM 323 CZ TYR A 20 11.388 0.513 -1.786 1.00 0.00 C ATOM 324 OH TYR A 20 12.241 1.185 -0.942 1.00 0.00 O ATOM 0 H TYR A 20 8.079 -3.874 -6.094 1.00 0.00 H new ATOM 0 HA TYR A 20 9.646 -3.370 -3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.957 -1.314 -5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.702 -1.252 -4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.070 -1.923 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.476 0.405 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.595 -0.724 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.999 1.607 -3.516 1.00 0.00 H new ATOM 0 HH TYR A 20 12.750 1.849 -1.452 1.00 0.00 H new ATOM 334 N ALA A 21 7.640 -3.935 -2.301 1.00 0.00 N ATOM 335 CA ALA A 21 6.504 -4.439 -1.535 1.00 0.00 C ATOM 336 C ALA A 21 6.549 -3.952 -0.090 1.00 0.00 C ATOM 337 O ALA A 21 7.623 -3.807 0.494 1.00 0.00 O ATOM 338 CB ALA A 21 6.474 -5.959 -1.578 1.00 0.00 C ATOM 0 H ALA A 21 8.506 -3.849 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 21 5.593 -4.052 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.622 -6.323 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.383 -6.292 -2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.396 -6.353 -1.150 1.00 0.00 H new ATOM 344 N GLY A 22 5.376 -3.700 0.482 1.00 0.00 N ATOM 345 CA GLY A 22 5.303 -3.234 1.854 1.00 0.00 C ATOM 346 C GLY A 22 3.876 -3.036 2.326 1.00 0.00 C ATOM 347 O GLY A 22 2.930 -3.451 1.656 1.00 0.00 O ATOM 0 H GLY A 22 4.474 -3.810 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.801 -3.952 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.846 -2.293 1.944 1.00 0.00 H new ATOM 351 N GLY A 23 3.721 -2.398 3.483 1.00 0.00 N ATOM 352 CA GLY A 23 2.396 -2.158 4.024 1.00 0.00 C ATOM 353 C GLY A 23 2.242 -0.758 4.585 1.00 0.00 C ATOM 354 O GLY A 23 3.200 -0.183 5.112 1.00 0.00 O ATOM 0 H GLY A 23 4.488 -2.044 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.654 -2.316 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.191 -2.885 4.810 1.00 0.00 H new ATOM 358 N LYS A 24 1.033 -0.207 4.472 1.00 0.00 N ATOM 359 CA LYS A 24 0.755 1.135 4.970 1.00 0.00 C ATOM 360 C LYS A 24 -0.363 1.110 6.010 1.00 0.00 C ATOM 361 O LYS A 24 -1.223 0.227 5.992 1.00 0.00 O ATOM 362 CB LYS A 24 0.369 2.057 3.813 1.00 0.00 C ATOM 363 CG LYS A 24 0.962 3.454 3.921 1.00 0.00 C ATOM 364 CD LYS A 24 2.068 3.674 2.900 1.00 0.00 C ATOM 365 CE LYS A 24 1.558 3.505 1.477 1.00 0.00 C ATOM 366 NZ LYS A 24 0.235 4.161 1.278 1.00 0.00 N ATOM 0 H LYS A 24 0.234 -0.671 4.040 1.00 0.00 H new ATOM 0 HA LYS A 24 1.659 1.515 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.694 1.605 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.717 2.135 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.177 4.195 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.358 3.605 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.483 4.675 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.878 2.968 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.281 3.928 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.475 2.443 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.163 4.507 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.524 3.474 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.142 4.961 1.936 1.00 0.00 H new ATOM 380 N LEU A 25 -0.346 2.087 6.912 1.00 0.00 N ATOM 381 CA LEU A 25 -1.358 2.182 7.959 1.00 0.00 C ATOM 382 C LEU A 25 -1.886 3.610 8.072 1.00 0.00 C ATOM 383 O LEU A 25 -1.123 4.573 7.984 1.00 0.00 O ATOM 384 CB LEU A 25 -0.779 1.733 9.303 1.00 0.00 C ATOM 385 CG LEU A 25 -1.797 1.139 10.280 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.173 0.006 11.082 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.337 2.216 11.211 1.00 0.00 C ATOM 0 H LEU A 25 0.358 2.825 6.939 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.185 1.525 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.001 0.992 9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.298 2.588 9.778 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.628 0.734 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.913 -0.403 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.837 -0.778 10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.322 0.386 11.647 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.059 1.775 11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.515 2.651 11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.824 2.994 10.623 1.00 0.00 H new ATOM 399 N GLY A 26 -3.195 3.739 8.264 1.00 0.00 N ATOM 400 CA GLY A 26 -3.801 5.051 8.385 1.00 0.00 C ATOM 401 C GLY A 26 -5.207 4.993 8.950 1.00 0.00 C ATOM 402 O GLY A 26 -5.667 3.935 9.382 1.00 0.00 O ATOM 0 H GLY A 26 -3.847 2.958 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.181 5.676 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.826 5.527 7.405 1.00 0.00 H new ATOM 799 N GLY A 53 -7.267 1.479 9.754 1.00 0.00 N ATOM 800 CA GLY A 53 -7.217 0.710 8.523 1.00 0.00 C ATOM 801 C GLY A 53 -5.800 0.457 8.051 1.00 0.00 C ATOM 802 O GLY A 53 -4.944 1.338 8.138 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.721 -0.244 8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.766 1.241 7.745 1.00 0.00 H new ATOM 806 N ALA A 54 -5.552 -0.747 7.548 1.00 0.00 N ATOM 807 CA ALA A 54 -4.228 -1.112 7.057 1.00 0.00 C ATOM 808 C ALA A 54 -4.311 -1.675 5.643 1.00 0.00 C ATOM 809 O ALA A 54 -5.370 -2.118 5.204 1.00 0.00 O ATOM 810 CB ALA A 54 -3.578 -2.121 7.992 1.00 0.00 C ATOM 0 H ALA A 54 -6.250 -1.487 7.469 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.613 -0.213 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.590 -2.384 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.481 -1.686 8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.196 -3.017 8.047 1.00 0.00 H new ATOM 816 N GLY A 55 -3.189 -1.654 4.932 1.00 0.00 N ATOM 817 CA GLY A 55 -3.174 -2.168 3.576 1.00 0.00 C ATOM 818 C GLY A 55 -1.784 -2.550 3.108 1.00 0.00 C ATOM 819 O GLY A 55 -0.786 -2.036 3.613 1.00 0.00 O ATOM 0 H GLY A 55 -2.296 -1.293 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.825 -3.040 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.585 -1.416 2.903 1.00 0.00 H new ATOM 823 N ALA A 56 -1.724 -3.456 2.138 1.00 0.00 N ATOM 824 CA ALA A 56 -0.449 -3.911 1.594 1.00 0.00 C ATOM 825 C ALA A 56 -0.292 -3.475 0.142 1.00 0.00 C ATOM 826 O ALA A 56 -1.160 -3.734 -0.691 1.00 0.00 O ATOM 827 CB ALA A 56 -0.334 -5.423 1.709 1.00 0.00 C ATOM 0 H ALA A 56 -2.543 -3.890 1.712 1.00 0.00 H new ATOM 0 HA ALA A 56 0.352 -3.454 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.622 -5.747 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.397 -5.714 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.145 -5.893 1.153 1.00 0.00 H new ATOM 833 N PHE A 57 0.819 -2.810 -0.156 1.00 0.00 N ATOM 834 CA PHE A 57 1.085 -2.336 -1.510 1.00 0.00 C ATOM 835 C PHE A 57 2.309 -3.026 -2.103 1.00 0.00 C ATOM 836 O PHE A 57 3.350 -3.135 -1.455 1.00 0.00 O ATOM 837 CB PHE A 57 1.288 -0.821 -1.513 1.00 0.00 C ATOM 838 CG PHE A 57 2.325 -0.350 -0.535 1.00 0.00 C ATOM 839 CD1 PHE A 57 3.662 -0.288 -0.897 1.00 0.00 C ATOM 840 CD2 PHE A 57 1.963 0.030 0.747 1.00 0.00 C ATOM 841 CE1 PHE A 57 4.617 0.145 0.002 1.00 0.00 C ATOM 842 CE2 PHE A 57 2.915 0.463 1.652 1.00 0.00 C ATOM 843 CZ PHE A 57 4.243 0.521 1.277 1.00 0.00 C ATOM 0 H PHE A 57 1.549 -2.587 0.520 1.00 0.00 H new ATOM 0 HA PHE A 57 0.220 -2.581 -2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.576 -0.504 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.339 -0.336 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.960 -0.581 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.925 -0.012 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.655 0.189 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.621 0.755 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.989 0.860 1.981 1.00 0.00 H new ATOM 853 N GLY A 58 2.175 -3.486 -3.342 1.00 0.00 N ATOM 854 CA GLY A 58 3.272 -4.156 -4.012 1.00 0.00 C ATOM 855 C GLY A 58 3.202 -4.000 -5.518 1.00 0.00 C ATOM 856 O GLY A 58 2.187 -4.325 -6.133 1.00 0.00 O ATOM 0 H GLY A 58 1.322 -3.406 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.218 -3.753 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.259 -5.216 -3.757 1.00 0.00 H new ATOM 860 N GLY A 59 4.280 -3.497 -6.113 1.00 0.00 N ATOM 861 CA GLY A 59 4.303 -3.304 -7.551 1.00 0.00 C ATOM 862 C GLY A 59 5.695 -3.425 -8.136 1.00 0.00 C ATOM 863 O GLY A 59 6.655 -3.718 -7.423 1.00 0.00 O ATOM 0 H GLY A 59 5.134 -3.221 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.650 -4.039 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.898 -2.320 -7.788 1.00 0.00 H new ATOM 867 N TYR A 60 5.803 -3.198 -9.443 1.00 0.00 N ATOM 868 CA TYR A 60 7.085 -3.280 -10.129 1.00 0.00 C ATOM 869 C TYR A 60 7.085 -2.424 -11.393 1.00 0.00 C ATOM 870 O TYR A 60 6.035 -2.165 -11.981 1.00 0.00 O ATOM 871 CB TYR A 60 7.402 -4.735 -10.485 1.00 0.00 C ATOM 872 CG TYR A 60 6.320 -5.408 -11.301 1.00 0.00 C ATOM 873 CD1 TYR A 60 6.295 -5.295 -12.685 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.325 -6.156 -10.684 1.00 0.00 C ATOM 875 CE1 TYR A 60 5.307 -5.910 -13.432 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.335 -6.772 -11.425 1.00 0.00 C ATOM 877 CZ TYR A 60 4.330 -6.647 -12.798 1.00 0.00 C ATOM 878 OH TYR A 60 3.345 -7.261 -13.539 1.00 0.00 O ATOM 0 H TYR A 60 5.017 -2.956 -10.046 1.00 0.00 H new ATOM 0 HA TYR A 60 7.854 -2.900 -9.456 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.339 -4.768 -11.041 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.557 -5.300 -9.566 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.059 -4.718 -13.185 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.325 -6.257 -9.609 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.301 -5.813 -14.508 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.568 -7.349 -10.931 1.00 0.00 H new ATOM 0 HH TYR A 60 2.736 -7.741 -12.940 1.00 0.00 H new ATOM 888 N GLN A 61 8.273 -1.993 -11.804 1.00 0.00 N ATOM 889 CA GLN A 61 8.420 -1.169 -12.998 1.00 0.00 C ATOM 890 C GLN A 61 8.938 -2.004 -14.165 1.00 0.00 C ATOM 891 O GLN A 61 9.840 -2.825 -13.999 1.00 0.00 O ATOM 892 CB GLN A 61 9.372 -0.001 -12.725 1.00 0.00 C ATOM 893 CG GLN A 61 8.657 1.319 -12.480 1.00 0.00 C ATOM 894 CD GLN A 61 9.545 2.345 -11.806 1.00 0.00 C ATOM 895 OE1 GLN A 61 10.721 2.091 -11.543 1.00 0.00 O ATOM 896 NE2 GLN A 61 8.986 3.515 -11.518 1.00 0.00 N ATOM 0 H GLN A 61 9.150 -2.201 -11.326 1.00 0.00 H new ATOM 0 HA GLN A 61 7.440 -0.771 -13.262 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.987 -0.239 -11.857 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.048 0.113 -13.573 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.303 1.718 -13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.777 1.142 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.008 3.685 -11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.535 4.244 -11.062 1.00 0.00 H new ATOM 970 N LEU A 66 6.825 4.269 -16.107 1.00 0.00 N ATOM 971 CA LEU A 66 5.932 3.995 -14.987 1.00 0.00 C ATOM 972 C LEU A 66 5.819 2.497 -14.727 1.00 0.00 C ATOM 973 O LEU A 66 6.181 1.679 -15.571 1.00 0.00 O ATOM 974 CB LEU A 66 4.546 4.581 -15.263 1.00 0.00 C ATOM 975 CG LEU A 66 4.017 4.347 -16.682 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.806 3.426 -16.658 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.669 5.669 -17.350 1.00 0.00 C ATOM 0 HA LEU A 66 6.352 4.465 -14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.839 4.153 -14.552 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.577 5.654 -15.075 1.00 0.00 H new ATOM 0 HG LEU A 66 4.803 3.865 -17.264 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.445 3.272 -17.675 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.087 2.467 -16.224 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.017 3.878 -16.058 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.295 5.481 -18.357 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.902 6.180 -16.768 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.560 6.295 -17.405 1.00 0.00 H new ATOM 989 N GLY A 67 5.308 2.146 -13.550 1.00 0.00 N ATOM 990 CA GLY A 67 5.150 0.748 -13.196 1.00 0.00 C ATOM 991 C GLY A 67 3.762 0.438 -12.674 1.00 0.00 C ATOM 992 O GLY A 67 2.931 1.335 -12.529 1.00 0.00 O ATOM 0 H GLY A 67 5.001 2.806 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.353 0.129 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.888 0.482 -12.439 1.00 0.00 H new ATOM 996 N PHE A 68 3.509 -0.836 -12.388 1.00 0.00 N ATOM 997 CA PHE A 68 2.211 -1.260 -11.877 1.00 0.00 C ATOM 998 C PHE A 68 2.285 -1.537 -10.379 1.00 0.00 C ATOM 999 O PHE A 68 3.252 -2.130 -9.897 1.00 0.00 O ATOM 1000 CB PHE A 68 1.734 -2.512 -12.616 1.00 0.00 C ATOM 1001 CG PHE A 68 0.262 -2.508 -12.917 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.226 -1.869 -14.045 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.632 -3.143 -12.070 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.579 -1.864 -14.324 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.987 -3.140 -12.344 1.00 0.00 C ATOM 1006 CZ PHE A 68 -2.462 -2.501 -13.471 1.00 0.00 C ATOM 0 H PHE A 68 4.185 -1.591 -12.502 1.00 0.00 H new ATOM 0 HA PHE A 68 1.498 -0.453 -12.046 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.287 -2.605 -13.551 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.971 -3.391 -12.016 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.459 -1.369 -14.714 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.266 -3.645 -11.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.947 -1.363 -15.207 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.674 -3.638 -11.676 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.520 -2.498 -13.686 1.00 0.00 H new ATOM 1016 N GLU A 69 1.264 -1.104 -9.646 1.00 0.00 N ATOM 1017 CA GLU A 69 1.228 -1.309 -8.204 1.00 0.00 C ATOM 1018 C GLU A 69 -0.141 -1.807 -7.754 1.00 0.00 C ATOM 1019 O GLU A 69 -1.166 -1.186 -8.043 1.00 0.00 O ATOM 1020 CB GLU A 69 1.579 -0.013 -7.472 1.00 0.00 C ATOM 1021 CG GLU A 69 3.070 0.169 -7.238 1.00 0.00 C ATOM 1022 CD GLU A 69 3.517 -0.359 -5.889 1.00 0.00 C ATOM 1023 OE1 GLU A 69 2.740 -0.237 -4.918 1.00 0.00 O ATOM 1024 OE2 GLU A 69 4.642 -0.893 -5.804 1.00 0.00 O ATOM 0 H GLU A 69 0.455 -0.612 -10.025 1.00 0.00 H new ATOM 0 HA GLU A 69 1.968 -2.070 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.204 0.833 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.064 0.003 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.623 -0.343 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.319 1.228 -7.310 1.00 0.00 H new ATOM 1031 N MET A 70 -0.147 -2.928 -7.042 1.00 0.00 N ATOM 1032 CA MET A 70 -1.386 -3.512 -6.543 1.00 0.00 C ATOM 1033 C MET A 70 -1.499 -3.313 -5.036 1.00 0.00 C ATOM 1034 O MET A 70 -0.545 -3.551 -4.297 1.00 0.00 O ATOM 1035 CB MET A 70 -1.446 -5.002 -6.881 1.00 0.00 C ATOM 1036 CG MET A 70 -1.545 -5.285 -8.372 1.00 0.00 C ATOM 1037 SD MET A 70 -2.610 -6.692 -8.741 1.00 0.00 S ATOM 1038 CE MET A 70 -2.251 -6.942 -10.478 1.00 0.00 C ATOM 0 H MET A 70 0.694 -3.451 -6.797 1.00 0.00 H new ATOM 0 HA MET A 70 -2.223 -3.008 -7.026 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.556 -5.492 -6.485 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.305 -5.446 -6.378 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.928 -4.401 -8.881 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.548 -5.475 -8.769 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.836 -7.782 -10.853 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.509 -6.042 -11.036 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.189 -7.155 -10.603 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.669 -2.873 -4.588 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.879 -2.648 -3.170 1.00 0.00 C ATOM 1050 C GLY A 71 -3.823 -3.658 -2.554 1.00 0.00 C ATOM 1051 O GLY A 71 -4.606 -4.298 -3.255 1.00 0.00 O ATOM 0 H GLY A 71 -3.474 -2.668 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.920 -2.690 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.278 -1.645 -3.020 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.749 -3.802 -1.236 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.604 -4.740 -0.519 1.00 0.00 C ATOM 1057 C TYR A 72 -5.249 -4.065 0.686 1.00 0.00 C ATOM 1058 O TYR A 72 -4.561 -3.663 1.623 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.794 -5.959 -0.068 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.243 -7.255 -0.704 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -3.917 -7.554 -2.020 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -4.989 -8.179 0.014 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -4.325 -8.738 -2.605 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -5.401 -9.367 -0.563 1.00 0.00 C ATOM 1065 CZ TYR A 72 -5.066 -9.641 -1.872 1.00 0.00 C ATOM 1066 OH TYR A 72 -5.474 -10.821 -2.451 1.00 0.00 O ATOM 0 H TYR A 72 -3.105 -3.280 -0.642 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.393 -5.071 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.743 -5.794 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.866 -6.052 1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.335 -6.850 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.252 -7.967 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.065 -8.955 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.982 -10.076 0.009 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.985 -11.345 -1.800 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.572 -3.937 0.652 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.306 -3.305 1.742 1.00 0.00 C ATOM 1078 C ASP A 73 -7.638 -4.315 2.835 1.00 0.00 C ATOM 1079 O ASP A 73 -8.319 -5.313 2.588 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.591 -2.663 1.216 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.841 -1.293 1.816 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.444 -1.074 2.980 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.433 -0.440 1.121 1.00 0.00 O ATOM 0 H ASP A 73 -7.157 -4.262 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.671 -2.530 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.533 -2.576 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.437 -3.314 1.439 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.152 -4.046 4.044 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.392 -4.927 5.182 1.00 0.00 C ATOM 1090 C TRP A 74 -7.685 -4.119 6.445 1.00 0.00 C ATOM 1091 O TRP A 74 -7.089 -3.066 6.676 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.182 -5.835 5.413 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.366 -6.794 6.549 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.232 -7.848 6.602 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.666 -6.786 7.798 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.114 -8.496 7.806 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.159 -7.864 8.559 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.670 -5.974 8.347 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -5.689 -8.148 9.839 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -4.205 -6.257 9.619 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -4.714 -7.336 10.352 1.00 0.00 C ATOM 0 H TRP A 74 -6.589 -3.224 4.260 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.263 -5.542 4.956 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.980 -6.398 4.501 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.305 -5.217 5.607 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.911 -8.131 5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.650 -9.315 8.094 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.270 -5.141 7.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.080 -8.979 10.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.436 -5.635 10.054 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.329 -7.531 11.342 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.147 -8.608 1.756 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.778 -8.381 1.307 1.00 0.00 C ATOM 1363 C GLN A 92 -10.748 -7.361 0.175 1.00 0.00 C ATOM 1364 O GLN A 92 -11.468 -7.499 -0.814 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.146 -9.695 0.843 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.631 -9.639 0.748 1.00 0.00 C ATOM 1367 CD GLN A 92 -7.964 -10.888 1.292 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -7.695 -10.989 2.490 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -7.696 -11.846 0.413 1.00 0.00 N ATOM 0 HA GLN A 92 -10.203 -7.989 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.430 -10.489 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.554 -9.960 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.341 -9.502 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.268 -8.770 1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.937 -11.718 -0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.249 -12.710 0.720 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.920 -6.333 0.329 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.827 -5.307 -0.690 1.00 0.00 C ATOM 1380 C GLY A 93 -8.650 -5.506 -1.624 1.00 0.00 C ATOM 1381 O GLY A 93 -7.517 -5.695 -1.179 1.00 0.00 O ATOM 0 H GLY A 93 -9.315 -6.193 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.748 -5.296 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.742 -4.332 -0.210 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.917 -5.449 -2.924 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.877 -5.609 -3.934 1.00 0.00 C ATOM 1387 C VAL A 94 -7.789 -4.355 -4.796 1.00 0.00 C ATOM 1388 O VAL A 94 -8.759 -3.969 -5.448 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.126 -6.836 -4.840 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.292 -8.021 -4.377 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.603 -7.203 -4.874 1.00 0.00 C ATOM 0 H VAL A 94 -9.850 -5.292 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.937 -5.768 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.822 -6.572 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.481 -8.875 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.234 -7.760 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.562 -8.278 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.748 -8.070 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.942 -7.441 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.178 -6.362 -5.262 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.629 -3.706 -4.779 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.434 -2.481 -5.543 1.00 0.00 C ATOM 1403 C GLN A 95 -5.510 -2.695 -6.736 1.00 0.00 C ATOM 1404 O GLN A 95 -4.547 -3.460 -6.669 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.864 -1.384 -4.642 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.682 -1.145 -3.382 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.829 -0.709 -2.207 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -4.938 0.128 -2.350 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -6.100 -1.275 -1.037 1.00 0.00 N ATOM 0 H GLN A 95 -5.813 -4.007 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.409 -2.176 -5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.846 -1.650 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.805 -0.455 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.436 -0.383 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.215 -2.059 -3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.848 -1.965 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.560 -1.020 -0.210 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.813 -1.996 -7.824 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.024 -2.073 -9.047 1.00 0.00 C ATOM 1420 C LEU A 96 -4.759 -0.662 -9.565 1.00 0.00 C ATOM 1421 O LEU A 96 -5.688 0.036 -9.978 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.768 -2.904 -10.100 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.241 -2.784 -11.534 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.212 -4.148 -12.208 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.096 -1.813 -12.334 1.00 0.00 C ATOM 0 H LEU A 96 -6.610 -1.362 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.071 -2.560 -8.838 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.728 -3.952 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.818 -2.611 -10.092 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.222 -2.398 -11.496 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.835 -4.043 -13.225 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.560 -4.817 -11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.220 -4.562 -12.235 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.709 -1.739 -13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.125 -2.173 -12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.068 -0.831 -11.863 1.00 0.00 H new ATOM 1437 N THR A 97 -3.500 -0.229 -9.522 1.00 0.00 N ATOM 1438 CA THR A 97 -3.160 1.115 -9.968 1.00 0.00 C ATOM 1439 C THR A 97 -1.774 1.174 -10.594 1.00 0.00 C ATOM 1440 O THR A 97 -1.049 0.178 -10.636 1.00 0.00 O ATOM 1441 CB THR A 97 -3.222 2.088 -8.787 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.044 1.997 -8.005 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.400 1.850 -7.867 1.00 0.00 C ATOM 0 H THR A 97 -2.711 -0.782 -9.188 1.00 0.00 H new ATOM 0 HA THR A 97 -3.887 1.399 -10.729 1.00 0.00 H new ATOM 0 HB THR A 97 -3.330 3.076 -9.235 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.765 1.060 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.379 2.576 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.328 1.960 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.342 0.842 -7.455 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.410 2.363 -11.062 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.110 2.588 -11.673 1.00 0.00 C ATOM 1453 C ALA A 98 0.684 3.598 -10.854 1.00 0.00 C ATOM 1454 O ALA A 98 0.146 4.618 -10.420 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.272 3.072 -13.107 1.00 0.00 C ATOM 0 H ALA A 98 -2.005 3.191 -11.028 1.00 0.00 H new ATOM 0 HA ALA A 98 0.437 1.645 -11.691 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.711 3.235 -13.549 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.810 2.321 -13.686 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.833 4.006 -13.114 1.00 0.00 H new ATOM 1461 N LYS A 99 1.961 3.305 -10.634 1.00 0.00 N ATOM 1462 CA LYS A 99 2.817 4.188 -9.853 1.00 0.00 C ATOM 1463 C LYS A 99 3.868 4.861 -10.729 1.00 0.00 C ATOM 1464 O LYS A 99 4.548 4.207 -11.520 1.00 0.00 O ATOM 1465 CB LYS A 99 3.500 3.407 -8.729 1.00 0.00 C ATOM 1466 CG LYS A 99 4.349 4.275 -7.814 1.00 0.00 C ATOM 1467 CD LYS A 99 3.502 4.980 -6.765 1.00 0.00 C ATOM 1468 CE LYS A 99 3.756 4.422 -5.373 1.00 0.00 C ATOM 1469 NZ LYS A 99 3.756 5.491 -4.335 1.00 0.00 N ATOM 0 H LYS A 99 2.424 2.466 -10.984 1.00 0.00 H new ATOM 0 HA LYS A 99 2.186 4.965 -9.421 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.739 2.902 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.129 2.631 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.101 3.658 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.884 5.016 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.723 6.047 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.447 4.870 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.991 3.684 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.715 3.903 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.730 5.661 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.367 6.367 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.171 5.192 -3.529 1.00 0.00 H new ATOM 1483 N LEU A 100 3.995 6.174 -10.570 1.00 0.00 N ATOM 1484 CA LEU A 100 4.964 6.950 -11.332 1.00 0.00 C ATOM 1485 C LEU A 100 5.695 7.927 -10.417 1.00 0.00 C ATOM 1486 O LEU A 100 5.068 8.715 -9.708 1.00 0.00 O ATOM 1487 CB LEU A 100 4.269 7.707 -12.468 1.00 0.00 C ATOM 1488 CG LEU A 100 3.407 8.895 -12.030 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.254 10.155 -11.904 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.264 9.112 -13.011 1.00 0.00 C ATOM 0 H LEU A 100 3.436 6.724 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 100 5.692 6.265 -11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.029 8.067 -13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.641 7.007 -13.019 1.00 0.00 H new ATOM 0 HG LEU A 100 2.983 8.671 -11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.623 10.988 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.037 9.995 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.709 10.386 -12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.661 9.960 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.669 9.314 -14.003 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.642 8.218 -13.049 1.00 0.00 H new ATOM 1502 N GLY A 101 7.022 7.866 -10.428 1.00 0.00 N ATOM 1503 CA GLY A 101 7.808 8.747 -9.585 1.00 0.00 C ATOM 1504 C GLY A 101 9.283 8.738 -9.934 1.00 0.00 C ATOM 1505 O GLY A 101 9.685 8.184 -10.958 1.00 0.00 O ATOM 0 H GLY A 101 7.566 7.224 -11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.425 9.764 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.685 8.450 -8.543 1.00 0.00 H new ATOM 1509 N TYR A 102 10.087 9.354 -9.076 1.00 0.00 N ATOM 1510 CA TYR A 102 11.528 9.423 -9.282 1.00 0.00 C ATOM 1511 C TYR A 102 12.256 9.640 -7.957 1.00 0.00 C ATOM 1512 O TYR A 102 11.698 10.213 -7.019 1.00 0.00 O ATOM 1513 CB TYR A 102 11.874 10.549 -10.259 1.00 0.00 C ATOM 1514 CG TYR A 102 11.242 11.878 -9.905 1.00 0.00 C ATOM 1515 CD1 TYR A 102 11.804 12.700 -8.938 1.00 0.00 C ATOM 1516 CD2 TYR A 102 10.084 12.307 -10.540 1.00 0.00 C ATOM 1517 CE1 TYR A 102 11.228 13.915 -8.613 1.00 0.00 C ATOM 1518 CE2 TYR A 102 9.503 13.519 -10.222 1.00 0.00 C ATOM 1519 CZ TYR A 102 10.079 14.320 -9.258 1.00 0.00 C ATOM 1520 OH TYR A 102 9.505 15.529 -8.938 1.00 0.00 O ATOM 0 H TYR A 102 9.763 9.815 -8.226 1.00 0.00 H new ATOM 0 HA TYR A 102 11.855 8.473 -9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 102 12.957 10.669 -10.292 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.555 10.260 -11.260 1.00 0.00 H new ATOM 0 HD1 TYR A 102 12.705 12.386 -8.432 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.630 11.682 -11.295 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.676 14.543 -7.858 1.00 0.00 H new ATOM 0 HE2 TYR A 102 8.602 13.838 -10.726 1.00 0.00 H new ATOM 0 HH TYR A 102 8.703 15.665 -9.484 1.00 0.00 H new ATOM 1530 N PRO A 103 13.513 9.178 -7.860 1.00 0.00 N ATOM 1531 CA PRO A 103 14.314 9.315 -6.644 1.00 0.00 C ATOM 1532 C PRO A 103 14.995 10.675 -6.535 1.00 0.00 C ATOM 1533 O PRO A 103 15.080 11.420 -7.512 1.00 0.00 O ATOM 1534 CB PRO A 103 15.352 8.209 -6.802 1.00 0.00 C ATOM 1535 CG PRO A 103 15.563 8.102 -8.276 1.00 0.00 C ATOM 1536 CD PRO A 103 14.253 8.473 -8.925 1.00 0.00 C ATOM 0 HA PRO A 103 13.708 9.239 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.279 8.458 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.996 7.268 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.360 8.769 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.860 7.090 -8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.405 9.112 -9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.714 7.590 -9.268 1.00 0.00 H new ATOM 1601 N LEU A 108 16.130 9.491 -0.744 1.00 0.00 N ATOM 1602 CA LEU A 108 14.854 10.200 -0.712 1.00 0.00 C ATOM 1603 C LEU A 108 14.199 10.157 -2.088 1.00 0.00 C ATOM 1604 O LEU A 108 14.715 10.734 -3.040 1.00 0.00 O ATOM 1605 CB LEU A 108 15.051 11.657 -0.269 1.00 0.00 C ATOM 1606 CG LEU A 108 16.429 11.993 0.314 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.742 13.469 0.130 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.494 11.615 1.787 1.00 0.00 C ATOM 0 HA LEU A 108 14.204 9.706 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.871 12.306 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.293 11.897 0.477 1.00 0.00 H new ATOM 0 HG LEU A 108 17.178 11.412 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.724 13.688 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.740 13.712 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.987 14.067 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.479 11.861 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.733 12.168 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.316 10.545 1.896 1.00 0.00 H new ATOM 1620 N ASP A 109 13.069 9.463 -2.195 1.00 0.00 N ATOM 1621 CA ASP A 109 12.374 9.347 -3.472 1.00 0.00 C ATOM 1622 C ASP A 109 10.896 9.702 -3.347 1.00 0.00 C ATOM 1623 O ASP A 109 10.262 9.425 -2.330 1.00 0.00 O ATOM 1624 CB ASP A 109 12.514 7.925 -4.019 1.00 0.00 C ATOM 1625 CG ASP A 109 13.942 7.418 -3.955 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.870 8.255 -3.988 1.00 0.00 O ATOM 1627 OD2 ASP A 109 14.133 6.188 -3.873 1.00 0.00 O ATOM 0 H ASP A 109 12.619 8.977 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 109 12.834 10.055 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.868 7.255 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.169 7.901 -5.053 1.00 0.00 H new ATOM 1632 N ILE A 110 10.352 10.307 -4.399 1.00 0.00 N ATOM 1633 CA ILE A 110 8.944 10.689 -4.420 1.00 0.00 C ATOM 1634 C ILE A 110 8.188 9.901 -5.487 1.00 0.00 C ATOM 1635 O ILE A 110 8.723 9.635 -6.564 1.00 0.00 O ATOM 1636 CB ILE A 110 8.770 12.202 -4.674 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.274 12.585 -6.071 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.501 13.006 -3.607 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.300 13.446 -6.845 1.00 0.00 C ATOM 0 H ILE A 110 10.865 10.543 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 110 8.531 10.456 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 110 7.707 12.435 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.221 13.117 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.475 11.676 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.369 14.071 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.095 12.762 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.563 12.762 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.719 13.680 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.360 12.908 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.118 14.371 -6.298 1.00 0.00 H new ATOM 1651 N TYR A 111 6.949 9.515 -5.188 1.00 0.00 N ATOM 1652 CA TYR A 111 6.151 8.745 -6.137 1.00 0.00 C ATOM 1653 C TYR A 111 4.661 9.040 -5.991 1.00 0.00 C ATOM 1654 O TYR A 111 4.204 9.499 -4.944 1.00 0.00 O ATOM 1655 CB TYR A 111 6.403 7.248 -5.944 1.00 0.00 C ATOM 1656 CG TYR A 111 7.661 6.750 -6.619 1.00 0.00 C ATOM 1657 CD1 TYR A 111 8.909 6.959 -6.045 1.00 0.00 C ATOM 1658 CD2 TYR A 111 7.601 6.067 -7.828 1.00 0.00 C ATOM 1659 CE1 TYR A 111 10.061 6.503 -6.658 1.00 0.00 C ATOM 1660 CE2 TYR A 111 8.748 5.608 -8.445 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.975 5.828 -7.857 1.00 0.00 C ATOM 1662 OH TYR A 111 11.119 5.373 -8.470 1.00 0.00 O ATOM 0 H TYR A 111 6.481 9.721 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 111 6.456 9.041 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.465 7.034 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.549 6.692 -6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.980 7.486 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.642 5.892 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.024 6.675 -6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.684 5.079 -9.384 1.00 0.00 H new ATOM 0 HH TYR A 111 10.884 4.918 -9.305 1.00 0.00 H new ATOM 1672 N THR A 112 3.910 8.761 -7.053 1.00 0.00 N ATOM 1673 CA THR A 112 2.468 8.982 -7.058 1.00 0.00 C ATOM 1674 C THR A 112 1.739 7.739 -7.566 1.00 0.00 C ATOM 1675 O THR A 112 2.211 7.065 -8.482 1.00 0.00 O ATOM 1676 CB THR A 112 2.117 10.187 -7.931 1.00 0.00 C ATOM 1677 OG1 THR A 112 3.112 11.190 -7.825 1.00 0.00 O ATOM 1678 CG2 THR A 112 0.790 10.820 -7.574 1.00 0.00 C ATOM 0 H THR A 112 4.279 8.380 -7.924 1.00 0.00 H new ATOM 0 HA THR A 112 2.148 9.183 -6.036 1.00 0.00 H new ATOM 0 HB THR A 112 2.054 9.797 -8.947 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.870 11.952 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.603 11.669 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.007 10.086 -7.693 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.817 11.162 -6.539 1.00 0.00 H new ATOM 1686 N ARG A 113 0.594 7.438 -6.963 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.189 6.269 -7.354 1.00 0.00 C ATOM 1688 C ARG A 113 -1.591 6.668 -7.809 1.00 0.00 C ATOM 1689 O ARG A 113 -2.307 7.376 -7.099 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.282 5.286 -6.185 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.673 3.880 -6.603 1.00 0.00 C ATOM 1692 CD ARG A 113 -0.367 2.870 -5.510 1.00 0.00 C ATOM 1693 NE ARG A 113 -1.269 3.008 -4.368 1.00 0.00 N ATOM 1694 CZ ARG A 113 -1.009 2.528 -3.155 1.00 0.00 C ATOM 1695 NH1 ARG A 113 0.123 1.875 -2.919 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -1.883 2.699 -2.174 1.00 0.00 N ATOM 0 H ARG A 113 0.188 7.985 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 113 0.317 5.790 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.680 5.250 -5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.011 5.658 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.737 3.852 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.138 3.607 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.447 1.861 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.663 2.998 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.150 3.502 -4.510 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.799 1.739 -3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.316 1.510 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.755 3.199 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.684 2.331 -1.244 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.977 6.202 -8.995 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.295 6.505 -9.547 1.00 0.00 C ATOM 1712 C LEU A 114 -3.931 5.257 -10.158 1.00 0.00 C ATOM 1713 O LEU A 114 -3.354 4.630 -11.047 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.189 7.610 -10.604 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.489 7.931 -11.348 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.558 9.412 -11.694 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.608 7.083 -12.606 1.00 0.00 C ATOM 0 H LEU A 114 -1.396 5.613 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.931 6.852 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.832 8.519 -10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.434 7.320 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.326 7.693 -10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.489 9.619 -12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.521 10.002 -10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.713 9.677 -12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.538 7.325 -13.121 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.764 7.288 -13.264 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.608 6.027 -12.335 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.119 4.902 -9.676 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.809 3.731 -10.189 1.00 0.00 C ATOM 1731 C GLY A 115 -7.175 3.538 -9.560 1.00 0.00 C ATOM 1732 O GLY A 115 -7.899 4.507 -9.330 1.00 0.00 O ATOM 0 H GLY A 115 -5.616 5.404 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.920 3.823 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.200 2.846 -10.006 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.530 2.286 -9.281 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.822 2.005 -8.679 1.00 0.00 C ATOM 1738 C GLY A 116 -8.758 0.913 -7.630 1.00 0.00 C ATOM 1739 O GLY A 116 -7.756 0.207 -7.517 1.00 0.00 O ATOM 0 H GLY A 116 -6.950 1.466 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.212 2.916 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.525 1.712 -9.459 1.00 0.00 H new ATOM 1743 N MET A 117 -9.835 0.776 -6.863 1.00 0.00 N ATOM 1744 CA MET A 117 -9.908 -0.233 -5.814 1.00 0.00 C ATOM 1745 C MET A 117 -11.202 -1.034 -5.924 1.00 0.00 C ATOM 1746 O MET A 117 -12.264 -0.482 -6.225 1.00 0.00 O ATOM 1747 CB MET A 117 -9.814 0.425 -4.435 1.00 0.00 C ATOM 1748 CG MET A 117 -9.976 -0.550 -3.278 1.00 0.00 C ATOM 1749 SD MET A 117 -9.950 0.267 -1.672 1.00 0.00 S ATOM 1750 CE MET A 117 -11.665 0.100 -1.180 1.00 0.00 C ATOM 0 H MET A 117 -10.671 1.353 -6.949 1.00 0.00 H new ATOM 0 HA MET A 117 -9.067 -0.915 -5.938 1.00 0.00 H new ATOM 0 HB2 MET A 117 -8.849 0.924 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 117 -10.580 1.197 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.916 -1.089 -3.392 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.177 -1.290 -3.317 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.788 0.462 -0.159 1.00 0.00 H new ATOM 0 HE2 MET A 117 -12.295 0.685 -1.851 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.957 -0.949 -1.230 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.106 -2.338 -5.675 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.266 -3.219 -5.743 1.00 0.00 C ATOM 1762 C VAL A 118 -12.434 -3.996 -4.441 1.00 0.00 C ATOM 1763 O VAL A 118 -11.581 -4.805 -4.076 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.154 -4.218 -6.914 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.529 -4.745 -7.297 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.467 -3.578 -8.115 1.00 0.00 C ATOM 0 H VAL A 118 -10.236 -2.807 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.137 -2.584 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.541 -5.058 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.432 -5.448 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.976 -5.251 -6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.166 -3.914 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.401 -4.304 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.044 -2.715 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.464 -3.258 -7.832 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.536 -3.743 -3.742 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.811 -4.416 -2.478 1.00 0.00 C ATOM 1778 C TRP A 119 -14.989 -5.377 -2.618 1.00 0.00 C ATOM 1779 O TRP A 119 -16.023 -5.029 -3.187 1.00 0.00 O ATOM 1780 CB TRP A 119 -14.105 -3.388 -1.384 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.447 -3.704 -0.073 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.991 -4.920 0.344 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -13.177 -2.786 0.993 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -12.452 -4.816 1.604 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -12.556 -3.516 2.024 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -13.399 -1.418 1.175 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -12.155 -2.923 3.219 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -13.002 -0.831 2.362 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -12.385 -1.583 3.369 1.00 0.00 C ATOM 0 H TRP A 119 -14.253 -3.077 -4.030 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.927 -4.991 -2.201 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.773 -2.406 -1.721 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.183 -3.326 -1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.046 -5.832 -0.232 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.042 -5.581 2.139 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -13.872 -0.830 0.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -11.680 -3.500 3.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -13.171 0.225 2.515 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -12.084 -1.094 4.284 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.507 -0.792 -5.483 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.490 -0.452 -6.473 1.00 0.00 C ATOM 2093 C VAL A 141 -15.466 1.049 -6.737 1.00 0.00 C ATOM 2094 O VAL A 141 -16.494 1.648 -7.057 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.732 -1.198 -7.801 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.082 -0.818 -8.392 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.609 -0.915 -8.788 1.00 0.00 C ATOM 0 HA VAL A 141 -14.528 -0.760 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.741 -2.269 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.233 -1.355 -9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.873 -1.082 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.107 0.255 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.799 -1.451 -9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.562 0.155 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.661 -1.247 -8.365 1.00 0.00 H new ATOM 2107 N SER A 142 -14.291 1.656 -6.600 1.00 0.00 N ATOM 2108 CA SER A 142 -14.149 3.092 -6.824 1.00 0.00 C ATOM 2109 C SER A 142 -12.707 3.465 -7.162 1.00 0.00 C ATOM 2110 O SER A 142 -11.764 2.831 -6.689 1.00 0.00 O ATOM 2111 CB SER A 142 -14.611 3.868 -5.589 1.00 0.00 C ATOM 2112 OG SER A 142 -14.206 5.224 -5.657 1.00 0.00 O ATOM 0 H SER A 142 -13.428 1.180 -6.337 1.00 0.00 H new ATOM 0 HA SER A 142 -14.776 3.359 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.696 3.813 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.199 3.407 -4.691 1.00 0.00 H new ATOM 0 HG SER A 142 -14.515 5.698 -4.857 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.519 4.513 -7.986 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.190 4.978 -8.385 1.00 0.00 C ATOM 2120 C PRO A 143 -10.532 5.837 -7.309 1.00 0.00 C ATOM 2121 O PRO A 143 -11.210 6.580 -6.598 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.483 5.814 -9.628 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.847 6.368 -9.391 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.592 5.329 -8.591 1.00 0.00 C ATOM 0 HA PRO A 143 -10.496 4.155 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.748 6.609 -9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.453 5.206 -10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.795 7.312 -8.849 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.354 6.570 -10.334 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.223 5.787 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.243 4.727 -9.225 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.210 5.733 -7.191 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.476 6.507 -6.196 1.00 0.00 C ATOM 2134 C VAL A 144 -7.012 6.679 -6.593 1.00 0.00 C ATOM 2135 O VAL A 144 -6.470 5.891 -7.366 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.539 5.844 -4.805 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.972 5.799 -4.298 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.936 4.448 -4.848 1.00 0.00 C ATOM 0 H VAL A 144 -8.630 5.124 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.955 7.485 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.952 6.445 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.996 5.328 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.364 6.813 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.585 5.223 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.990 3.998 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.491 3.834 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.894 4.511 -5.161 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.380 7.716 -6.051 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.979 7.998 -6.339 1.00 0.00 C ATOM 2150 C PHE A 145 -4.310 8.661 -5.138 1.00 0.00 C ATOM 2151 O PHE A 145 -4.802 9.662 -4.617 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.858 8.902 -7.567 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.617 10.192 -7.442 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -6.988 10.226 -7.642 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.960 11.370 -7.122 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.689 11.411 -7.528 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.657 12.557 -7.006 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.023 12.578 -7.208 1.00 0.00 C ATOM 0 H PHE A 145 -6.818 8.376 -5.408 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.475 7.054 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.805 9.125 -7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.218 8.362 -8.442 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.514 9.316 -7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.892 11.360 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.757 11.425 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.134 13.468 -6.757 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.569 13.505 -7.116 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.189 8.094 -4.701 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.462 8.634 -3.557 1.00 0.00 C ATOM 2170 C ALA A 146 -1.016 8.948 -3.920 1.00 0.00 C ATOM 2171 O ALA A 146 -0.390 8.229 -4.698 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.515 7.657 -2.392 1.00 0.00 C ATOM 0 H ALA A 146 -2.766 7.265 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.943 9.566 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.969 8.071 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.553 7.487 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.061 6.712 -2.689 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.489 10.025 -3.348 1.00 0.00 N ATOM 2179 CA GLY A 147 0.882 10.415 -3.622 1.00 0.00 C ATOM 2180 C GLY A 147 1.666 10.673 -2.351 1.00 0.00 C ATOM 2181 O GLY A 147 1.108 11.136 -1.356 1.00 0.00 O ATOM 0 H GLY A 147 -0.987 10.635 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.373 9.631 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.886 11.314 -4.239 1.00 0.00 H new ATOM 2185 N GLY A 148 2.961 10.372 -2.378 1.00 0.00 N ATOM 2186 CA GLY A 148 3.784 10.584 -1.203 1.00 0.00 C ATOM 2187 C GLY A 148 5.268 10.472 -1.493 1.00 0.00 C ATOM 2188 O GLY A 148 5.691 10.509 -2.650 1.00 0.00 O ATOM 0 H GLY A 148 3.451 9.988 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.573 11.571 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.512 9.855 -0.439 1.00 0.00 H new ATOM 2192 N VAL A 149 6.057 10.333 -0.433 1.00 0.00 N ATOM 2193 CA VAL A 149 7.504 10.215 -0.566 1.00 0.00 C ATOM 2194 C VAL A 149 8.029 9.001 0.194 1.00 0.00 C ATOM 2195 O VAL A 149 7.312 8.405 0.999 1.00 0.00 O ATOM 2196 CB VAL A 149 8.219 11.481 -0.055 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.044 12.628 -1.041 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.700 11.866 1.322 1.00 0.00 C ATOM 0 H VAL A 149 5.718 10.299 0.528 1.00 0.00 H new ATOM 0 HA VAL A 149 7.717 10.092 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 149 9.284 11.267 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.555 13.513 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.468 12.347 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.983 12.846 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.216 12.762 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.629 12.062 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.883 11.050 2.021 1.00 0.00 H new ATOM 2208 N GLU A 150 9.280 8.633 -0.068 1.00 0.00 N ATOM 2209 CA GLU A 150 9.891 7.483 0.590 1.00 0.00 C ATOM 2210 C GLU A 150 11.307 7.803 1.057 1.00 0.00 C ATOM 2211 O GLU A 150 12.011 8.602 0.440 1.00 0.00 O ATOM 2212 CB GLU A 150 9.916 6.282 -0.358 1.00 0.00 C ATOM 2213 CG GLU A 150 8.604 6.054 -1.090 1.00 0.00 C ATOM 2214 CD GLU A 150 8.685 6.411 -2.561 1.00 0.00 C ATOM 2215 OE1 GLU A 150 8.641 7.617 -2.883 1.00 0.00 O ATOM 2216 OE2 GLU A 150 8.793 5.483 -3.393 1.00 0.00 O ATOM 0 H GLU A 150 9.889 9.114 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 150 9.289 7.239 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 150 10.710 6.425 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.165 5.386 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 150 8.314 5.008 -0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 150 7.822 6.649 -0.619 1.00 0.00 H new ATOM 2223 N TRP A 151 11.717 7.165 2.150 1.00 0.00 N ATOM 2224 CA TRP A 151 13.051 7.372 2.705 1.00 0.00 C ATOM 2225 C TRP A 151 13.729 6.037 2.993 1.00 0.00 C ATOM 2226 O TRP A 151 13.202 5.208 3.737 1.00 0.00 O ATOM 2227 CB TRP A 151 12.969 8.203 3.988 1.00 0.00 C ATOM 2228 CG TRP A 151 12.913 9.679 3.739 1.00 0.00 C ATOM 2229 CD1 TRP A 151 13.672 10.392 2.857 1.00 0.00 C ATOM 2230 CD2 TRP A 151 12.051 10.625 4.383 1.00 0.00 C ATOM 2231 NE1 TRP A 151 13.336 11.723 2.912 1.00 0.00 N ATOM 2232 CE2 TRP A 151 12.343 11.891 3.841 1.00 0.00 C ATOM 2233 CE3 TRP A 151 11.062 10.524 5.365 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 11.680 13.046 4.249 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 10.404 11.671 5.767 1.00 0.00 C ATOM 2236 CH2 TRP A 151 10.716 12.917 5.210 1.00 0.00 C ATOM 0 H TRP A 151 11.144 6.500 2.669 1.00 0.00 H new ATOM 0 HA TRP A 151 13.646 7.912 1.969 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.085 7.903 4.550 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.834 7.980 4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 151 14.427 9.971 2.210 1.00 0.00 H new ATOM 0 HE1 TRP A 151 13.757 12.465 2.353 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.816 9.567 5.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 11.919 14.009 3.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 9.636 11.605 6.524 1.00 0.00 H new ATOM 0 HH2 TRP A 151 10.184 13.795 5.546 1.00 0.00 H new ATOM 2247 N ALA A 152 14.902 5.833 2.399 1.00 0.00 N ATOM 2248 CA ALA A 152 15.650 4.596 2.591 1.00 0.00 C ATOM 2249 C ALA A 152 16.542 4.676 3.826 1.00 0.00 C ATOM 2250 O ALA A 152 17.292 5.637 4.002 1.00 0.00 O ATOM 2251 CB ALA A 152 16.484 4.290 1.355 1.00 0.00 C ATOM 0 H ALA A 152 15.354 6.508 1.782 1.00 0.00 H new ATOM 0 HA ALA A 152 14.935 3.788 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.038 3.364 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.828 4.180 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.184 5.106 1.177 1.00 0.00 H new ATOM 2257 N VAL A 153 16.455 3.659 4.678 1.00 0.00 N ATOM 2258 CA VAL A 153 17.254 3.611 5.897 1.00 0.00 C ATOM 2259 C VAL A 153 18.225 2.434 5.870 1.00 0.00 C ATOM 2260 O VAL A 153 19.436 2.618 5.753 1.00 0.00 O ATOM 2261 CB VAL A 153 16.362 3.504 7.151 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.206 3.513 8.419 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.340 4.631 7.172 1.00 0.00 C ATOM 0 H VAL A 153 15.839 2.857 4.546 1.00 0.00 H new ATOM 0 HA VAL A 153 17.819 4.542 5.944 1.00 0.00 H new ATOM 0 HB VAL A 153 15.826 2.555 7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.555 3.437 9.290 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.893 2.667 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.774 4.442 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.718 4.542 8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.857 5.591 7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.712 4.569 6.283 1.00 0.00 H new ATOM 2323 N ILE A 157 15.228 -1.889 3.019 1.00 0.00 N ATOM 2324 CA ILE A 157 14.218 -1.541 4.013 1.00 0.00 C ATOM 2325 C ILE A 157 14.036 -0.029 4.092 1.00 0.00 C ATOM 2326 O ILE A 157 14.888 0.679 4.627 1.00 0.00 O ATOM 2327 CB ILE A 157 14.591 -2.074 5.409 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.938 -3.562 5.341 1.00 0.00 C ATOM 2329 CG2 ILE A 157 13.452 -1.836 6.390 1.00 0.00 C ATOM 2330 CD1 ILE A 157 15.755 -4.047 6.519 1.00 0.00 C ATOM 0 HA ILE A 157 13.285 -2.007 3.696 1.00 0.00 H new ATOM 0 HB ILE A 157 15.469 -1.533 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 157 14.015 -4.140 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.490 -3.756 4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 157 13.731 -2.218 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 157 13.250 -0.767 6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.557 -2.352 6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.964 -5.111 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 157 16.694 -3.495 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 157 15.196 -3.885 7.441 1.00 0.00 H new ATOM 2342 N ALA A 158 12.923 0.462 3.555 1.00 0.00 N ATOM 2343 CA ALA A 158 12.642 1.892 3.568 1.00 0.00 C ATOM 2344 C ALA A 158 11.216 2.179 4.021 1.00 0.00 C ATOM 2345 O ALA A 158 10.350 1.305 3.980 1.00 0.00 O ATOM 2346 CB ALA A 158 12.888 2.486 2.189 1.00 0.00 C ATOM 0 H ALA A 158 12.204 -0.107 3.108 1.00 0.00 H new ATOM 0 HA ALA A 158 13.317 2.359 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.675 3.555 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.929 2.329 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.237 2.000 1.462 1.00 0.00 H new ATOM 2352 N THR A 159 10.981 3.417 4.443 1.00 0.00 N ATOM 2353 CA THR A 159 9.660 3.839 4.897 1.00 0.00 C ATOM 2354 C THR A 159 9.147 4.975 4.021 1.00 0.00 C ATOM 2355 O THR A 159 9.926 5.803 3.549 1.00 0.00 O ATOM 2356 CB THR A 159 9.717 4.287 6.358 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.350 3.305 7.160 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.353 4.557 6.955 1.00 0.00 C ATOM 0 H THR A 159 11.691 4.148 4.480 1.00 0.00 H new ATOM 0 HA THR A 159 8.977 2.994 4.819 1.00 0.00 H new ATOM 0 HB THR A 159 10.284 5.218 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.378 3.611 8.091 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.466 4.871 7.993 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.858 5.346 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 159 7.752 3.649 6.914 1.00 0.00 H new ATOM 2366 N ARG A 160 7.838 5.008 3.792 1.00 0.00 N ATOM 2367 CA ARG A 160 7.252 6.045 2.953 1.00 0.00 C ATOM 2368 C ARG A 160 5.961 6.599 3.548 1.00 0.00 C ATOM 2369 O ARG A 160 5.195 5.879 4.195 1.00 0.00 O ATOM 2370 CB ARG A 160 6.984 5.500 1.551 1.00 0.00 C ATOM 2371 CG ARG A 160 5.999 4.342 1.526 1.00 0.00 C ATOM 2372 CD ARG A 160 6.536 3.165 0.727 1.00 0.00 C ATOM 2373 NE ARG A 160 6.330 3.337 -0.710 1.00 0.00 N ATOM 2374 CZ ARG A 160 5.133 3.354 -1.291 1.00 0.00 C ATOM 2375 NH1 ARG A 160 4.032 3.208 -0.563 1.00 0.00 N ATOM 2376 NH2 ARG A 160 5.035 3.517 -2.603 1.00 0.00 N ATOM 0 H ARG A 160 7.170 4.337 4.171 1.00 0.00 H new ATOM 0 HA ARG A 160 7.970 6.863 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.601 6.305 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.926 5.174 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.787 4.023 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.056 4.676 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.601 3.046 0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.045 2.249 1.056 1.00 0.00 H new ATOM 0 HE ARG A 160 7.153 3.451 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.101 3.082 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.117 3.222 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 160 5.877 3.629 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.117 3.530 -3.048 1.00 0.00 H new ATOM 2390 N LEU A 161 5.726 7.884 3.300 1.00 0.00 N ATOM 2391 CA LEU A 161 4.528 8.563 3.778 1.00 0.00 C ATOM 2392 C LEU A 161 3.662 8.967 2.589 1.00 0.00 C ATOM 2393 O LEU A 161 4.124 9.660 1.680 1.00 0.00 O ATOM 2394 CB LEU A 161 4.903 9.798 4.602 1.00 0.00 C ATOM 2395 CG LEU A 161 3.984 10.090 5.790 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.573 11.188 6.668 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.595 10.479 5.303 1.00 0.00 C ATOM 0 H LEU A 161 6.357 8.480 2.765 1.00 0.00 H new ATOM 0 HA LEU A 161 3.967 7.882 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.921 9.673 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.907 10.667 3.944 1.00 0.00 H new ATOM 0 HG LEU A 161 3.898 9.184 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.904 11.381 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.545 10.871 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.691 12.099 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.953 10.684 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.664 11.371 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.172 9.661 4.720 1.00 0.00 H new ATOM 2409 N GLU A 162 2.410 8.515 2.591 1.00 0.00 N ATOM 2410 CA GLU A 162 1.490 8.816 1.500 1.00 0.00 C ATOM 2411 C GLU A 162 0.428 9.825 1.923 1.00 0.00 C ATOM 2412 O GLU A 162 -0.048 9.808 3.060 1.00 0.00 O ATOM 2413 CB GLU A 162 0.818 7.534 1.005 1.00 0.00 C ATOM 2414 CG GLU A 162 1.631 6.786 -0.041 1.00 0.00 C ATOM 2415 CD GLU A 162 0.827 6.464 -1.284 1.00 0.00 C ATOM 2416 OE1 GLU A 162 0.332 7.410 -1.933 1.00 0.00 O ATOM 2417 OE2 GLU A 162 0.691 5.265 -1.610 1.00 0.00 O ATOM 0 H GLU A 162 2.011 7.941 3.334 1.00 0.00 H new ATOM 0 HA GLU A 162 2.072 9.257 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.641 6.875 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.157 7.783 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 162 2.498 7.386 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.009 5.860 0.392 1.00 0.00 H new ATOM 2424 N TYR A 163 0.058 10.695 0.989 1.00 0.00 N ATOM 2425 CA TYR A 163 -0.953 11.716 1.240 1.00 0.00 C ATOM 2426 C TYR A 163 -1.995 11.722 0.125 1.00 0.00 C ATOM 2427 O TYR A 163 -1.771 11.168 -0.952 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.303 13.096 1.348 1.00 0.00 C ATOM 2429 CG TYR A 163 0.676 13.223 2.494 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.276 12.989 3.804 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.999 13.580 2.265 1.00 0.00 C ATOM 2432 CE1 TYR A 163 1.168 13.108 4.852 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.896 13.700 3.308 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.475 13.463 4.600 1.00 0.00 C ATOM 2435 OH TYR A 163 3.365 13.583 5.643 1.00 0.00 O ATOM 0 H TYR A 163 0.446 10.713 0.046 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.447 11.482 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.214 13.317 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -1.084 13.847 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -0.748 12.710 4.006 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.331 13.767 1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.842 12.923 5.865 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.921 13.978 3.113 1.00 0.00 H new ATOM 0 HH TYR A 163 2.908 13.384 6.487 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.135 12.352 0.390 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.212 12.430 -0.591 1.00 0.00 C ATOM 2447 C GLN A 164 -4.396 13.863 -1.085 1.00 0.00 C ATOM 2448 O GLN A 164 -4.087 14.177 -2.235 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.519 11.911 0.012 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.149 10.777 -0.780 1.00 0.00 C ATOM 2451 CD GLN A 164 -6.768 11.249 -2.081 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -6.585 12.396 -2.489 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.509 10.365 -2.740 1.00 0.00 N ATOM 0 H GLN A 164 -3.337 12.816 1.276 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.941 11.805 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.329 11.570 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.230 12.734 0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -5.391 10.024 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.914 10.295 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -7.634 9.425 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.952 10.627 -3.620 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.754 10.693 5.147 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.326 10.529 5.395 1.00 0.00 C ATOM 2726 C LEU A 184 -2.047 9.183 6.052 1.00 0.00 C ATOM 2727 O LEU A 184 -2.646 8.847 7.075 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.806 11.663 6.284 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.425 13.037 6.012 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.677 13.234 6.855 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.414 14.141 6.288 1.00 0.00 C ATOM 0 HA LEU A 184 -1.807 10.564 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.988 11.400 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.726 11.737 6.158 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.708 13.086 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -4.104 14.216 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.406 12.462 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.419 13.165 7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.871 15.111 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.100 14.094 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.546 14.010 5.642 1.00 0.00 H new ATOM 2743 N SER A 185 -1.143 8.411 5.459 1.00 0.00 N ATOM 2744 CA SER A 185 -0.801 7.097 5.995 1.00 0.00 C ATOM 2745 C SER A 185 0.707 6.871 5.995 1.00 0.00 C ATOM 2746 O SER A 185 1.432 7.428 5.168 1.00 0.00 O ATOM 2747 CB SER A 185 -1.490 5.999 5.184 1.00 0.00 C ATOM 2748 OG SER A 185 -2.801 6.386 4.812 1.00 0.00 O ATOM 0 H SER A 185 -0.636 8.669 4.612 1.00 0.00 H new ATOM 0 HA SER A 185 -1.151 7.058 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 185 -0.905 5.781 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.531 5.081 5.770 1.00 0.00 H new ATOM 0 HG SER A 185 -3.219 5.668 4.293 1.00 0.00 H new ATOM 2754 N LEU A 186 1.171 6.037 6.924 1.00 0.00 N ATOM 2755 CA LEU A 186 2.593 5.720 7.032 1.00 0.00 C ATOM 2756 C LEU A 186 2.819 4.227 6.826 1.00 0.00 C ATOM 2757 O LEU A 186 2.165 3.402 7.465 1.00 0.00 O ATOM 2758 CB LEU A 186 3.142 6.140 8.400 1.00 0.00 C ATOM 2759 CG LEU A 186 2.436 7.327 9.062 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.457 6.843 10.123 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.454 8.282 9.672 1.00 0.00 C ATOM 0 H LEU A 186 0.582 5.569 7.613 1.00 0.00 H new ATOM 0 HA LEU A 186 3.122 6.274 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.083 5.285 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.198 6.385 8.288 1.00 0.00 H new ATOM 0 HG LEU A 186 1.876 7.864 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.965 7.700 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.708 6.200 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.996 6.282 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.934 9.119 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 186 4.041 7.756 10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 186 4.116 8.656 8.891 1.00 0.00 H new ATOM 2773 N GLY A 187 3.737 3.881 5.932 1.00 0.00 N ATOM 2774 CA GLY A 187 4.010 2.479 5.672 1.00 0.00 C ATOM 2775 C GLY A 187 5.475 2.198 5.410 1.00 0.00 C ATOM 2776 O GLY A 187 6.263 3.116 5.188 1.00 0.00 O ATOM 0 H GLY A 187 4.293 4.539 5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.679 1.886 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.424 2.154 4.812 1.00 0.00 H new ATOM 2780 N VAL A 188 5.834 0.918 5.425 1.00 0.00 N ATOM 2781 CA VAL A 188 7.212 0.505 5.176 1.00 0.00 C ATOM 2782 C VAL A 188 7.257 -0.569 4.096 1.00 0.00 C ATOM 2783 O VAL A 188 6.406 -1.460 4.059 1.00 0.00 O ATOM 2784 CB VAL A 188 7.902 -0.026 6.454 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.505 1.122 7.249 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.930 -0.822 7.315 1.00 0.00 C ATOM 0 H VAL A 188 5.190 0.148 5.607 1.00 0.00 H new ATOM 0 HA VAL A 188 7.754 1.390 4.843 1.00 0.00 H new ATOM 0 HB VAL A 188 8.705 -0.697 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.987 0.731 8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.243 1.640 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.718 1.819 7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.444 -1.182 8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.098 -0.183 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.552 -1.671 6.746 1.00 0.00 H new ATOM 2796 N SER A 189 8.242 -0.477 3.206 1.00 0.00 N ATOM 2797 CA SER A 189 8.367 -1.441 2.120 1.00 0.00 C ATOM 2798 C SER A 189 9.813 -1.889 1.926 1.00 0.00 C ATOM 2799 O SER A 189 10.744 -1.303 2.484 1.00 0.00 O ATOM 2800 CB SER A 189 7.833 -0.840 0.819 1.00 0.00 C ATOM 2801 OG SER A 189 7.948 0.573 0.823 1.00 0.00 O ATOM 0 H SER A 189 8.959 0.249 3.216 1.00 0.00 H new ATOM 0 HA SER A 189 7.777 -2.317 2.388 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.384 -1.250 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.789 -1.122 0.686 1.00 0.00 H new ATOM 0 HG SER A 189 7.911 0.907 -0.098 1.00 0.00 H new ATOM 2807 N TYR A 190 9.982 -2.933 1.121 1.00 0.00 N ATOM 2808 CA TYR A 190 11.299 -3.481 0.829 1.00 0.00 C ATOM 2809 C TYR A 190 11.470 -3.680 -0.674 1.00 0.00 C ATOM 2810 O TYR A 190 10.488 -3.785 -1.412 1.00 0.00 O ATOM 2811 CB TYR A 190 11.492 -4.812 1.556 1.00 0.00 C ATOM 2812 CG TYR A 190 11.069 -4.777 3.008 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.729 -4.662 3.358 1.00 0.00 C ATOM 2814 CD2 TYR A 190 12.009 -4.861 4.028 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.339 -4.630 4.683 1.00 0.00 C ATOM 2816 CE2 TYR A 190 11.626 -4.829 5.354 1.00 0.00 C ATOM 2817 CZ TYR A 190 10.289 -4.714 5.678 1.00 0.00 C ATOM 2818 OH TYR A 190 9.905 -4.681 6.998 1.00 0.00 O ATOM 0 H TYR A 190 9.215 -3.419 0.656 1.00 0.00 H new ATOM 0 HA TYR A 190 12.052 -2.775 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 190 10.923 -5.584 1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.542 -5.098 1.499 1.00 0.00 H new ATOM 0 HD1 TYR A 190 8.981 -4.597 2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 190 13.056 -4.953 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 190 8.293 -4.539 4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 190 12.369 -4.894 6.135 1.00 0.00 H new ATOM 0 HH TYR A 190 10.697 -4.752 7.571 1.00 0.00 H new ATOM 2828 N ARG A 191 12.720 -3.733 -1.122 1.00 0.00 N ATOM 2829 CA ARG A 191 13.017 -3.920 -2.537 1.00 0.00 C ATOM 2830 C ARG A 191 13.235 -5.395 -2.858 1.00 0.00 C ATOM 2831 O ARG A 191 13.968 -6.092 -2.157 1.00 0.00 O ATOM 2832 CB ARG A 191 14.255 -3.112 -2.931 1.00 0.00 C ATOM 2833 CG ARG A 191 14.000 -1.617 -3.024 1.00 0.00 C ATOM 2834 CD ARG A 191 15.300 -0.836 -3.126 1.00 0.00 C ATOM 2835 NE ARG A 191 15.765 -0.373 -1.820 1.00 0.00 N ATOM 2836 CZ ARG A 191 17.016 0.009 -1.570 1.00 0.00 C ATOM 2837 NH1 ARG A 191 17.928 -0.015 -2.533 1.00 0.00 N ATOM 2838 NH2 ARG A 191 17.352 0.416 -0.354 1.00 0.00 N ATOM 0 H ARG A 191 13.543 -3.649 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 191 12.162 -3.565 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 191 15.044 -3.293 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 191 14.622 -3.470 -3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 191 13.378 -1.406 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 191 13.443 -1.286 -2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.065 -1.464 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.157 0.021 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 191 15.091 -0.341 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.672 -0.327 -3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 191 18.885 0.279 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.653 0.436 0.388 1.00 0.00 H new ATOM 0 HH22 ARG A 191 18.310 0.709 -0.161 1.00 0.00 H new