USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 311 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 131 THR OG1 : rot 80:sc= 0.0787 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -1.02 USER MOD Set 2.2: A 119 THR OG1 : rot 148:sc= 1.24 USER MOD Single : A 100 MET CE :methyl 180:sc= -0.189 (180deg=-0.189) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -62:sc= 0.0769 USER MOD Single : A 117 THR OG1 : rot 23:sc= 0.182 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -131:sc= 0 (180deg=-0.303) USER MOD Single : A 130 THR OG1 : rot 150:sc= -0.737 USER MOD Single : A 150 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 152 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 51:sc= 0.00927 USER MOD Single : A 178 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.986 -1.059 -0.320 1.00 0.00 N ATOM 2 CA MET A 100 1.701 -1.206 -1.583 1.00 0.00 C ATOM 3 C MET A 100 3.125 -1.700 -1.348 1.00 0.00 C ATOM 4 O MET A 100 3.708 -1.462 -0.290 1.00 0.00 O ATOM 5 CB MET A 100 1.728 0.125 -2.337 1.00 0.00 C ATOM 6 CG MET A 100 2.118 -0.012 -3.799 1.00 0.00 C ATOM 7 SD MET A 100 1.273 1.178 -4.858 1.00 0.00 S ATOM 8 CE MET A 100 1.822 2.723 -4.136 1.00 0.00 C ATOM 0 HA MET A 100 1.174 -1.946 -2.186 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.744 0.589 -2.274 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.429 0.798 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.195 0.121 -3.898 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.889 -1.022 -4.139 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.383 3.557 -4.683 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.509 2.769 -3.093 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.909 2.785 -4.192 1.00 0.00 H new ATOM 18 N LEU A 101 3.679 -2.388 -2.341 1.00 0.00 N ATOM 19 CA LEU A 101 5.035 -2.916 -2.242 1.00 0.00 C ATOM 20 C LEU A 101 6.062 -1.788 -2.269 1.00 0.00 C ATOM 21 O LEU A 101 6.047 -0.941 -3.163 1.00 0.00 O ATOM 22 CB LEU A 101 5.307 -3.896 -3.384 1.00 0.00 C ATOM 23 CG LEU A 101 6.210 -5.083 -3.049 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.717 -5.744 -4.322 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.374 -4.638 -2.176 1.00 0.00 C ATOM 0 H LEU A 101 3.210 -2.593 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 101 5.125 -3.442 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.352 -4.281 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.757 -3.345 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 101 5.624 -5.815 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.358 -6.587 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.870 -6.099 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.286 -5.021 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.006 -5.496 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.960 -3.887 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.991 -4.212 -1.249 1.00 0.00 H new ATOM 37 N LYS A 102 6.954 -1.783 -1.285 1.00 0.00 N ATOM 38 CA LYS A 102 7.991 -0.762 -1.197 1.00 0.00 C ATOM 39 C LYS A 102 9.334 -1.381 -0.822 1.00 0.00 C ATOM 40 O LYS A 102 9.431 -2.140 0.143 1.00 0.00 O ATOM 41 CB LYS A 102 7.603 0.302 -0.168 1.00 0.00 C ATOM 42 CG LYS A 102 6.364 1.094 -0.549 1.00 0.00 C ATOM 43 CD LYS A 102 5.250 0.912 0.469 1.00 0.00 C ATOM 44 CE LYS A 102 5.457 1.801 1.685 1.00 0.00 C ATOM 45 NZ LYS A 102 5.606 1.006 2.935 1.00 0.00 N ATOM 0 H LYS A 102 6.980 -2.475 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 102 8.087 -0.293 -2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.434 -0.180 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.438 0.990 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.617 2.151 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.016 0.776 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.291 1.144 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.209 -0.131 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.345 2.416 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.611 2.481 1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.745 1.649 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.749 0.438 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.428 0.375 2.849 1.00 0.00 H new ATOM 59 N CYS A 103 10.368 -1.051 -1.589 1.00 0.00 N ATOM 60 CA CYS A 103 11.705 -1.573 -1.337 1.00 0.00 C ATOM 61 C CYS A 103 12.732 -0.445 -1.303 1.00 0.00 C ATOM 62 O CYS A 103 12.430 0.695 -1.657 1.00 0.00 O ATOM 63 CB CYS A 103 12.088 -2.593 -2.410 1.00 0.00 C ATOM 64 SG CYS A 103 11.571 -4.299 -2.033 1.00 0.00 S ATOM 0 H CYS A 103 10.305 -0.424 -2.391 1.00 0.00 H new ATOM 0 HA CYS A 103 11.698 -2.064 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.643 -2.291 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.169 -2.574 -2.545 1.00 0.00 H new ATOM 69 N TYR A 104 13.946 -0.771 -0.874 1.00 0.00 N ATOM 70 CA TYR A 104 15.018 0.215 -0.791 1.00 0.00 C ATOM 71 C TYR A 104 15.623 0.478 -2.167 1.00 0.00 C ATOM 72 O TYR A 104 16.631 -0.122 -2.541 1.00 0.00 O ATOM 73 CB TYR A 104 16.105 -0.262 0.174 1.00 0.00 C ATOM 74 CG TYR A 104 15.789 0.016 1.626 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.096 1.242 2.202 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.183 -0.948 2.422 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.810 1.500 3.529 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.893 -0.699 3.750 1.00 0.00 C ATOM 79 CZ TYR A 104 15.209 0.526 4.298 1.00 0.00 C ATOM 80 OH TYR A 104 14.921 0.780 5.620 1.00 0.00 O ATOM 0 H TYR A 104 14.213 -1.710 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 104 14.593 1.146 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.252 -1.334 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.046 0.223 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.566 2.007 1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.934 -1.909 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 104 16.056 2.459 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.422 -1.459 4.355 1.00 0.00 H new ATOM 0 HH TYR A 104 14.498 -0.008 6.020 1.00 0.00 H new ATOM 90 N THR A 105 15.000 1.382 -2.917 1.00 0.00 N ATOM 91 CA THR A 105 15.475 1.726 -4.251 1.00 0.00 C ATOM 92 C THR A 105 15.779 3.216 -4.359 1.00 0.00 C ATOM 93 O THR A 105 14.974 4.055 -3.955 1.00 0.00 O ATOM 94 CB THR A 105 14.444 1.345 -5.330 1.00 0.00 C ATOM 95 OG1 THR A 105 13.497 2.405 -5.500 1.00 0.00 O ATOM 96 CG2 THR A 105 13.716 0.063 -4.954 1.00 0.00 C ATOM 0 H THR A 105 14.165 1.889 -2.623 1.00 0.00 H new ATOM 0 HA THR A 105 16.390 1.158 -4.417 1.00 0.00 H new ATOM 0 HB THR A 105 14.976 1.181 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.846 2.155 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.993 -0.186 -5.731 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.436 -0.749 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.196 0.204 -4.006 1.00 0.00 H new ATOM 104 N CYS A 106 16.945 3.539 -4.908 1.00 0.00 N ATOM 105 CA CYS A 106 17.356 4.928 -5.070 1.00 0.00 C ATOM 106 C CYS A 106 16.709 5.546 -6.306 1.00 0.00 C ATOM 107 O CYS A 106 16.060 4.856 -7.092 1.00 0.00 O ATOM 108 CB CYS A 106 18.880 5.022 -5.177 1.00 0.00 C ATOM 109 SG CYS A 106 19.600 3.971 -6.479 1.00 0.00 S ATOM 0 H CYS A 106 17.622 2.857 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 106 17.025 5.483 -4.192 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.157 6.059 -5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.319 4.746 -4.218 1.00 0.00 H new ATOM 0 HG CYS A 106 19.348 2.723 -6.218 1.00 0.00 H new ATOM 262 N THR A 117 16.893 3.769 -0.417 1.00 0.00 N ATOM 263 CA THR A 117 15.846 4.704 -0.022 1.00 0.00 C ATOM 264 C THR A 117 14.466 4.072 -0.157 1.00 0.00 C ATOM 265 O THR A 117 14.231 3.253 -1.046 1.00 0.00 O ATOM 266 CB THR A 117 15.894 5.990 -0.868 1.00 0.00 C ATOM 267 OG1 THR A 117 17.236 6.487 -0.929 1.00 0.00 O ATOM 268 CG2 THR A 117 14.980 7.057 -0.283 1.00 0.00 C ATOM 0 HA THR A 117 16.026 4.958 1.023 1.00 0.00 H new ATOM 0 HB THR A 117 15.550 5.750 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.864 5.755 -0.755 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.031 7.956 -0.897 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.955 6.687 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.299 7.293 0.732 1.00 0.00 H new ATOM 276 N ILE A 118 13.555 4.458 0.730 1.00 0.00 N ATOM 277 CA ILE A 118 12.196 3.930 0.709 1.00 0.00 C ATOM 278 C ILE A 118 11.447 4.392 -0.536 1.00 0.00 C ATOM 279 O ILE A 118 11.089 5.564 -0.661 1.00 0.00 O ATOM 280 CB ILE A 118 11.406 4.359 1.959 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.162 3.962 3.228 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.017 3.738 1.946 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.408 4.273 4.503 1.00 0.00 C ATOM 0 H ILE A 118 13.733 5.135 1.472 1.00 0.00 H new ATOM 0 HA ILE A 118 12.279 2.843 0.698 1.00 0.00 H new ATOM 0 HB ILE A 118 11.298 5.444 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.377 2.894 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.121 4.480 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.470 4.050 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.480 4.067 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.104 2.652 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.004 3.965 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.216 5.344 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.461 3.734 4.506 1.00 0.00 H new ATOM 295 N THR A 119 11.210 3.462 -1.457 1.00 0.00 N ATOM 296 CA THR A 119 10.502 3.773 -2.692 1.00 0.00 C ATOM 297 C THR A 119 9.308 2.846 -2.890 1.00 0.00 C ATOM 298 O THR A 119 9.368 1.662 -2.558 1.00 0.00 O ATOM 299 CB THR A 119 11.431 3.661 -3.915 1.00 0.00 C ATOM 300 OG1 THR A 119 12.433 4.683 -3.864 1.00 0.00 O ATOM 301 CG2 THR A 119 10.640 3.784 -5.209 1.00 0.00 C ATOM 0 H THR A 119 11.498 2.487 -1.370 1.00 0.00 H new ATOM 0 HA THR A 119 10.150 4.801 -2.604 1.00 0.00 H new ATOM 0 HB THR A 119 11.909 2.682 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.258 4.353 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.318 3.702 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.897 2.988 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.138 4.751 -5.238 1.00 0.00 H new ATOM 309 N ARG A 120 8.224 3.392 -3.432 1.00 0.00 N ATOM 310 CA ARG A 120 7.015 2.613 -3.672 1.00 0.00 C ATOM 311 C ARG A 120 7.015 2.032 -5.083 1.00 0.00 C ATOM 312 O ARG A 120 7.163 2.759 -6.066 1.00 0.00 O ATOM 313 CB ARG A 120 5.774 3.483 -3.468 1.00 0.00 C ATOM 314 CG ARG A 120 5.919 4.497 -2.345 1.00 0.00 C ATOM 315 CD ARG A 120 4.563 4.949 -1.824 1.00 0.00 C ATOM 316 NE ARG A 120 3.904 5.874 -2.742 1.00 0.00 N ATOM 317 CZ ARG A 120 2.660 6.309 -2.580 1.00 0.00 C ATOM 318 NH1 ARG A 120 1.944 5.906 -1.539 1.00 0.00 N ATOM 319 NH2 ARG A 120 2.129 7.150 -3.459 1.00 0.00 N ATOM 0 H ARG A 120 8.158 4.370 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 120 6.995 1.790 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.554 4.010 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.920 2.839 -3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.496 4.059 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.479 5.361 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.926 4.078 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.689 5.430 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 120 4.428 6.204 -3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.349 5.261 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.989 6.241 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.677 7.463 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.173 7.483 -3.333 1.00 0.00 H new ATOM 333 N CYS A 121 6.849 0.717 -5.176 1.00 0.00 N ATOM 334 CA CYS A 121 6.831 0.037 -6.465 1.00 0.00 C ATOM 335 C CYS A 121 5.528 0.315 -7.208 1.00 0.00 C ATOM 336 O CYS A 121 4.639 0.994 -6.694 1.00 0.00 O ATOM 337 CB CYS A 121 7.009 -1.471 -6.272 1.00 0.00 C ATOM 338 SG CYS A 121 8.601 -1.942 -5.523 1.00 0.00 S ATOM 0 H CYS A 121 6.725 0.101 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 121 7.658 0.421 -7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.200 -1.844 -5.644 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.915 -1.964 -7.240 1.00 0.00 H new ATOM 343 N LYS A 122 5.422 -0.213 -8.423 1.00 0.00 N ATOM 344 CA LYS A 122 4.228 -0.024 -9.238 1.00 0.00 C ATOM 345 C LYS A 122 3.180 -1.088 -8.924 1.00 0.00 C ATOM 346 O LYS A 122 3.477 -2.135 -8.348 1.00 0.00 O ATOM 347 CB LYS A 122 4.588 -0.072 -10.725 1.00 0.00 C ATOM 348 CG LYS A 122 5.995 0.413 -11.026 1.00 0.00 C ATOM 349 CD LYS A 122 6.215 1.832 -10.527 1.00 0.00 C ATOM 350 CE LYS A 122 7.343 1.896 -9.509 1.00 0.00 C ATOM 351 NZ LYS A 122 8.221 3.079 -9.728 1.00 0.00 N ATOM 0 H LYS A 122 6.149 -0.775 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 122 3.809 0.954 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.481 -1.096 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.876 0.537 -11.282 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.719 -0.254 -10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.173 0.373 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.447 2.483 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.296 2.207 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.923 1.936 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.939 0.985 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.977 3.087 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.642 3.028 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.658 3.949 -9.645 1.00 0.00 H new ATOM 365 N PRO A 123 1.925 -0.816 -9.311 1.00 0.00 N ATOM 366 CA PRO A 123 0.809 -1.738 -9.083 1.00 0.00 C ATOM 367 C PRO A 123 0.907 -2.992 -9.944 1.00 0.00 C ATOM 368 O PRO A 123 0.438 -4.061 -9.556 1.00 0.00 O ATOM 369 CB PRO A 123 -0.419 -0.913 -9.477 1.00 0.00 C ATOM 370 CG PRO A 123 0.097 0.096 -10.444 1.00 0.00 C ATOM 371 CD PRO A 123 1.499 0.413 -10.003 1.00 0.00 C ATOM 0 HA PRO A 123 0.784 -2.101 -8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.188 -1.539 -9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.870 -0.434 -8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.087 -0.297 -11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.524 0.991 -10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.145 0.641 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.526 1.278 -9.340 1.00 0.00 H new ATOM 379 N GLU A 124 1.522 -2.854 -11.115 1.00 0.00 N ATOM 380 CA GLU A 124 1.681 -3.977 -12.031 1.00 0.00 C ATOM 381 C GLU A 124 2.746 -4.945 -11.525 1.00 0.00 C ATOM 382 O GLU A 124 2.720 -6.134 -11.842 1.00 0.00 O ATOM 383 CB GLU A 124 2.054 -3.476 -13.428 1.00 0.00 C ATOM 384 CG GLU A 124 3.245 -2.533 -13.439 1.00 0.00 C ATOM 385 CD GLU A 124 4.329 -2.973 -14.403 1.00 0.00 C ATOM 386 OE1 GLU A 124 4.714 -4.160 -14.361 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.792 -2.130 -15.199 1.00 0.00 O ATOM 0 H GLU A 124 1.918 -1.976 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 124 0.730 -4.506 -12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.274 -4.333 -14.065 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.194 -2.967 -13.864 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.908 -1.532 -13.709 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.662 -2.469 -12.434 1.00 0.00 H new ATOM 394 N ASP A 125 3.682 -4.426 -10.738 1.00 0.00 N ATOM 395 CA ASP A 125 4.757 -5.243 -10.187 1.00 0.00 C ATOM 396 C ASP A 125 4.224 -6.194 -9.120 1.00 0.00 C ATOM 397 O ASP A 125 3.024 -6.228 -8.845 1.00 0.00 O ATOM 398 CB ASP A 125 5.851 -4.353 -9.595 1.00 0.00 C ATOM 399 CG ASP A 125 6.918 -3.994 -10.610 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.891 -4.558 -11.724 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.779 -3.148 -10.291 1.00 0.00 O ATOM 0 H ASP A 125 3.718 -3.443 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 125 5.181 -5.836 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.401 -3.439 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.314 -4.864 -8.751 1.00 0.00 H new ATOM 406 N THR A 126 5.125 -6.968 -8.522 1.00 0.00 N ATOM 407 CA THR A 126 4.745 -7.922 -7.487 1.00 0.00 C ATOM 408 C THR A 126 5.888 -8.149 -6.504 1.00 0.00 C ATOM 409 O THR A 126 5.667 -8.276 -5.300 1.00 0.00 O ATOM 410 CB THR A 126 4.329 -9.275 -8.095 1.00 0.00 C ATOM 411 OG1 THR A 126 5.391 -9.796 -8.902 1.00 0.00 O ATOM 412 CG2 THR A 126 3.071 -9.126 -8.936 1.00 0.00 C ATOM 0 H THR A 126 6.122 -6.953 -8.737 1.00 0.00 H new ATOM 0 HA THR A 126 3.894 -7.493 -6.958 1.00 0.00 H new ATOM 0 HB THR A 126 4.121 -9.967 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.120 -10.657 -9.284 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.797 -10.094 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.257 -8.757 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.256 -8.420 -9.745 1.00 0.00 H new ATOM 420 N ALA A 127 7.110 -8.199 -7.024 1.00 0.00 N ATOM 421 CA ALA A 127 8.287 -8.409 -6.191 1.00 0.00 C ATOM 422 C ALA A 127 9.340 -7.336 -6.449 1.00 0.00 C ATOM 423 O ALA A 127 9.158 -6.465 -7.301 1.00 0.00 O ATOM 424 CB ALA A 127 8.869 -9.792 -6.439 1.00 0.00 C ATOM 0 H ALA A 127 7.310 -8.097 -8.019 1.00 0.00 H new ATOM 0 HA ALA A 127 7.981 -8.338 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.748 -9.935 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.123 -10.549 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.154 -9.884 -7.487 1.00 0.00 H new ATOM 430 N CYS A 128 10.440 -7.403 -5.708 1.00 0.00 N ATOM 431 CA CYS A 128 11.522 -6.437 -5.855 1.00 0.00 C ATOM 432 C CYS A 128 12.765 -7.098 -6.445 1.00 0.00 C ATOM 433 O CYS A 128 12.902 -8.321 -6.418 1.00 0.00 O ATOM 434 CB CYS A 128 11.860 -5.808 -4.501 1.00 0.00 C ATOM 435 SG CYS A 128 10.488 -4.870 -3.755 1.00 0.00 S ATOM 0 H CYS A 128 10.606 -8.117 -4.999 1.00 0.00 H new ATOM 0 HA CYS A 128 11.188 -5.656 -6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.164 -6.596 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.716 -5.144 -4.624 1.00 0.00 H new ATOM 440 N MET A 129 13.667 -6.280 -6.976 1.00 0.00 N ATOM 441 CA MET A 129 14.899 -6.785 -7.572 1.00 0.00 C ATOM 442 C MET A 129 16.111 -6.028 -7.037 1.00 0.00 C ATOM 443 O MET A 129 15.996 -4.886 -6.590 1.00 0.00 O ATOM 444 CB MET A 129 14.840 -6.666 -9.096 1.00 0.00 C ATOM 445 CG MET A 129 15.412 -7.872 -9.822 1.00 0.00 C ATOM 446 SD MET A 129 15.601 -7.592 -11.593 1.00 0.00 S ATOM 447 CE MET A 129 17.083 -6.587 -11.621 1.00 0.00 C ATOM 0 H MET A 129 13.569 -5.265 -7.006 1.00 0.00 H new ATOM 0 HA MET A 129 15.000 -7.836 -7.301 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.803 -6.526 -9.401 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.386 -5.774 -9.404 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.382 -8.123 -9.392 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.760 -8.731 -9.661 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.915 -5.708 -12.244 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.328 -6.271 -10.607 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.909 -7.169 -12.029 1.00 0.00 H new ATOM 457 N THR A 130 17.274 -6.671 -7.086 1.00 0.00 N ATOM 458 CA THR A 130 18.506 -6.060 -6.605 1.00 0.00 C ATOM 459 C THR A 130 19.701 -6.500 -7.443 1.00 0.00 C ATOM 460 O THR A 130 19.760 -7.638 -7.911 1.00 0.00 O ATOM 461 CB THR A 130 18.770 -6.413 -5.129 1.00 0.00 C ATOM 462 OG1 THR A 130 17.529 -6.614 -4.444 1.00 0.00 O ATOM 463 CG2 THR A 130 19.562 -5.310 -4.442 1.00 0.00 C ATOM 0 H THR A 130 17.388 -7.615 -7.454 1.00 0.00 H new ATOM 0 HA THR A 130 18.380 -4.981 -6.695 1.00 0.00 H new ATOM 0 HB THR A 130 19.355 -7.332 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.656 -7.264 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.736 -5.582 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.519 -5.180 -4.948 1.00 0.00 H new ATOM 0 HG23 THR A 130 18.999 -4.378 -4.484 1.00 0.00 H new ATOM 471 N THR A 131 20.655 -5.593 -7.628 1.00 0.00 N ATOM 472 CA THR A 131 21.849 -5.887 -8.410 1.00 0.00 C ATOM 473 C THR A 131 23.114 -5.642 -7.595 1.00 0.00 C ATOM 474 O THR A 131 23.383 -4.518 -7.170 1.00 0.00 O ATOM 475 CB THR A 131 21.905 -5.036 -9.692 1.00 0.00 C ATOM 476 OG1 THR A 131 20.630 -5.046 -10.343 1.00 0.00 O ATOM 477 CG2 THR A 131 22.970 -5.560 -10.644 1.00 0.00 C ATOM 0 H THR A 131 20.624 -4.648 -7.246 1.00 0.00 H new ATOM 0 HA THR A 131 21.795 -6.940 -8.685 1.00 0.00 H new ATOM 0 HB THR A 131 22.162 -4.014 -9.412 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.033 -4.406 -9.902 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.991 -4.943 -11.542 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.944 -5.523 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.739 -6.590 -10.917 1.00 0.00 H new ATOM 733 N THR A 148 22.456 -1.476 -7.928 1.00 0.00 N ATOM 734 CA THR A 148 21.198 -0.853 -8.319 1.00 0.00 C ATOM 735 C THR A 148 20.009 -1.725 -7.932 1.00 0.00 C ATOM 736 O THR A 148 19.986 -2.922 -8.217 1.00 0.00 O ATOM 737 CB THR A 148 21.151 -0.585 -9.835 1.00 0.00 C ATOM 738 OG1 THR A 148 21.509 -1.771 -10.554 1.00 0.00 O ATOM 739 CG2 THR A 148 22.094 0.547 -10.214 1.00 0.00 C ATOM 0 HA THR A 148 21.137 0.097 -7.787 1.00 0.00 H new ATOM 0 HB THR A 148 20.134 -0.294 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.475 -1.592 -11.517 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.044 0.718 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.802 1.456 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.114 0.279 -9.937 1.00 0.00 H new ATOM 747 N ARG A 149 19.022 -1.117 -7.281 1.00 0.00 N ATOM 748 CA ARG A 149 17.829 -1.839 -6.855 1.00 0.00 C ATOM 749 C ARG A 149 16.586 -1.295 -7.552 1.00 0.00 C ATOM 750 O ARG A 149 16.371 -0.084 -7.604 1.00 0.00 O ATOM 751 CB ARG A 149 17.661 -1.738 -5.338 1.00 0.00 C ATOM 752 CG ARG A 149 16.993 -2.954 -4.717 1.00 0.00 C ATOM 753 CD ARG A 149 17.039 -2.900 -3.198 1.00 0.00 C ATOM 754 NE ARG A 149 17.020 -4.233 -2.601 1.00 0.00 N ATOM 755 CZ ARG A 149 15.962 -5.036 -2.630 1.00 0.00 C ATOM 756 NH1 ARG A 149 14.843 -4.643 -3.222 1.00 0.00 N ATOM 757 NH2 ARG A 149 16.023 -6.235 -2.065 1.00 0.00 N ATOM 0 H ARG A 149 19.025 -0.127 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 149 17.951 -2.886 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.641 -1.599 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.072 -0.851 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 149 15.956 -3.010 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.489 -3.860 -5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.940 -2.374 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.189 -2.326 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 149 17.865 -4.565 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 149 14.793 -3.722 -3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.032 -5.262 -3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 149 16.882 -6.540 -1.608 1.00 0.00 H new ATOM 0 HH22 ARG A 149 15.211 -6.851 -2.087 1.00 0.00 H new ATOM 771 N SER A 150 15.771 -2.198 -8.088 1.00 0.00 N ATOM 772 CA SER A 150 14.552 -1.809 -8.786 1.00 0.00 C ATOM 773 C SER A 150 13.469 -2.871 -8.621 1.00 0.00 C ATOM 774 O SER A 150 13.763 -4.059 -8.487 1.00 0.00 O ATOM 775 CB SER A 150 14.839 -1.584 -10.272 1.00 0.00 C ATOM 776 OG SER A 150 15.857 -0.616 -10.454 1.00 0.00 O ATOM 0 H SER A 150 15.933 -3.204 -8.052 1.00 0.00 H new ATOM 0 HA SER A 150 14.193 -0.878 -8.348 1.00 0.00 H new ATOM 0 HB2 SER A 150 15.140 -2.524 -10.734 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.929 -1.258 -10.776 1.00 0.00 H new ATOM 0 HG SER A 150 16.023 -0.492 -11.412 1.00 0.00 H new ATOM 782 N CYS A 151 12.214 -2.433 -8.631 1.00 0.00 N ATOM 783 CA CYS A 151 11.085 -3.343 -8.482 1.00 0.00 C ATOM 784 C CYS A 151 10.964 -4.263 -9.694 1.00 0.00 C ATOM 785 O CYS A 151 11.566 -4.013 -10.738 1.00 0.00 O ATOM 786 CB CYS A 151 9.788 -2.554 -8.295 1.00 0.00 C ATOM 787 SG CYS A 151 9.894 -1.235 -7.043 1.00 0.00 S ATOM 0 H CYS A 151 11.954 -1.453 -8.741 1.00 0.00 H new ATOM 0 HA CYS A 151 11.259 -3.957 -7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.503 -2.112 -9.250 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.993 -3.244 -8.014 1.00 0.00 H new ATOM 792 N SER A 152 10.180 -5.326 -9.547 1.00 0.00 N ATOM 793 CA SER A 152 9.982 -6.285 -10.627 1.00 0.00 C ATOM 794 C SER A 152 8.592 -6.909 -10.552 1.00 0.00 C ATOM 795 O SER A 152 7.913 -6.817 -9.529 1.00 0.00 O ATOM 796 CB SER A 152 11.049 -7.380 -10.568 1.00 0.00 C ATOM 797 OG SER A 152 10.906 -8.290 -11.644 1.00 0.00 O ATOM 0 H SER A 152 9.672 -5.545 -8.690 1.00 0.00 H new ATOM 0 HA SER A 152 10.071 -5.752 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.040 -6.928 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.973 -7.916 -9.622 1.00 0.00 H new ATOM 0 HG SER A 152 11.601 -8.979 -11.584 1.00 0.00 H new ATOM 803 N SER A 153 8.176 -7.544 -11.643 1.00 0.00 N ATOM 804 CA SER A 153 6.865 -8.181 -11.703 1.00 0.00 C ATOM 805 C SER A 153 7.001 -9.699 -11.775 1.00 0.00 C ATOM 806 O SER A 153 6.022 -10.411 -11.997 1.00 0.00 O ATOM 807 CB SER A 153 6.081 -7.669 -12.913 1.00 0.00 C ATOM 808 OG SER A 153 6.887 -7.670 -14.079 1.00 0.00 O ATOM 0 H SER A 153 8.727 -7.631 -12.497 1.00 0.00 H new ATOM 0 HA SER A 153 6.322 -7.926 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.203 -8.295 -13.073 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.721 -6.659 -12.717 1.00 0.00 H new ATOM 0 HG SER A 153 6.363 -7.340 -14.839 1.00 0.00 H new ATOM 814 N SER A 154 8.223 -10.187 -11.587 1.00 0.00 N ATOM 815 CA SER A 154 8.490 -11.619 -11.635 1.00 0.00 C ATOM 816 C SER A 154 9.907 -11.924 -11.158 1.00 0.00 C ATOM 817 O SER A 154 10.862 -11.861 -11.933 1.00 0.00 O ATOM 818 CB SER A 154 8.292 -12.150 -13.056 1.00 0.00 C ATOM 819 OG SER A 154 8.791 -11.234 -14.016 1.00 0.00 O ATOM 0 H SER A 154 9.044 -9.611 -11.400 1.00 0.00 H new ATOM 0 HA SER A 154 7.786 -12.117 -10.968 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.801 -13.108 -13.164 1.00 0.00 H new ATOM 0 HB3 SER A 154 7.232 -12.330 -13.236 1.00 0.00 H new ATOM 0 HG SER A 154 9.710 -10.984 -13.783 1.00 0.00 H new ATOM 825 N CYS A 155 10.035 -12.256 -9.878 1.00 0.00 N ATOM 826 CA CYS A 155 11.334 -12.571 -9.295 1.00 0.00 C ATOM 827 C CYS A 155 11.891 -13.867 -9.876 1.00 0.00 C ATOM 828 O CYS A 155 11.393 -14.955 -9.585 1.00 0.00 O ATOM 829 CB CYS A 155 11.219 -12.688 -7.774 1.00 0.00 C ATOM 830 SG CYS A 155 12.536 -13.684 -7.004 1.00 0.00 S ATOM 0 H CYS A 155 9.254 -12.314 -9.224 1.00 0.00 H new ATOM 0 HA CYS A 155 12.020 -11.760 -9.539 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.234 -11.688 -7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.253 -13.128 -7.526 1.00 0.00 H new ATOM 835 N VAL A 156 12.927 -13.743 -10.699 1.00 0.00 N ATOM 836 CA VAL A 156 13.553 -14.904 -11.320 1.00 0.00 C ATOM 837 C VAL A 156 15.034 -14.655 -11.584 1.00 0.00 C ATOM 838 O VAL A 156 15.419 -13.586 -12.057 1.00 0.00 O ATOM 839 CB VAL A 156 12.861 -15.273 -12.646 1.00 0.00 C ATOM 840 CG1 VAL A 156 12.940 -14.115 -13.629 1.00 0.00 C ATOM 841 CG2 VAL A 156 13.481 -16.530 -13.239 1.00 0.00 C ATOM 0 H VAL A 156 13.351 -12.850 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 156 13.446 -15.733 -10.620 1.00 0.00 H new ATOM 0 HB VAL A 156 11.809 -15.475 -12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.446 -14.394 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 156 12.446 -13.242 -13.203 1.00 0.00 H new ATOM 0 HG13 VAL A 156 13.985 -13.878 -13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 156 12.980 -16.776 -14.175 1.00 0.00 H new ATOM 0 HG22 VAL A 156 14.541 -16.358 -13.429 1.00 0.00 H new ATOM 0 HG23 VAL A 156 13.367 -17.357 -12.538 1.00 0.00 H new ATOM 987 N LEU A 168 24.952 -10.813 -9.559 1.00 0.00 N ATOM 988 CA LEU A 168 23.985 -11.385 -8.628 1.00 0.00 C ATOM 989 C LEU A 168 22.672 -10.608 -8.661 1.00 0.00 C ATOM 990 O LEU A 168 22.654 -9.393 -8.468 1.00 0.00 O ATOM 991 CB LEU A 168 24.554 -11.385 -7.208 1.00 0.00 C ATOM 992 CG LEU A 168 25.922 -12.045 -7.034 1.00 0.00 C ATOM 993 CD1 LEU A 168 26.103 -12.530 -5.603 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.087 -13.198 -8.014 1.00 0.00 C ATOM 0 HA LEU A 168 23.786 -12.412 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.625 -10.352 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.843 -11.889 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 168 26.691 -11.302 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 168 27.082 -12.997 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 168 26.030 -11.684 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 168 25.327 -13.257 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.066 -13.656 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 168 25.310 -13.942 -7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 168 26.002 -12.823 -9.034 1.00 0.00 H new ATOM 1006 N ILE A 169 21.577 -11.319 -8.905 1.00 0.00 N ATOM 1007 CA ILE A 169 20.260 -10.698 -8.961 1.00 0.00 C ATOM 1008 C ILE A 169 19.357 -11.222 -7.849 1.00 0.00 C ATOM 1009 O ILE A 169 18.820 -12.326 -7.940 1.00 0.00 O ATOM 1010 CB ILE A 169 19.577 -10.943 -10.319 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.546 -10.636 -11.464 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.319 -10.096 -10.441 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.173 -11.871 -12.072 1.00 0.00 C ATOM 0 H ILE A 169 21.576 -12.326 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 169 20.412 -9.627 -8.829 1.00 0.00 H new ATOM 0 HB ILE A 169 19.291 -11.993 -10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.015 -10.088 -12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 169 21.336 -9.981 -11.095 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.848 -10.281 -11.407 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.625 -10.358 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.582 -9.041 -10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.848 -11.578 -12.877 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.733 -12.409 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.391 -12.517 -12.471 1.00 0.00 H new ATOM 1025 N PHE A 170 19.193 -10.422 -6.801 1.00 0.00 N ATOM 1026 CA PHE A 170 18.354 -10.805 -5.671 1.00 0.00 C ATOM 1027 C PHE A 170 16.946 -10.235 -5.821 1.00 0.00 C ATOM 1028 O PHE A 170 16.743 -9.219 -6.486 1.00 0.00 O ATOM 1029 CB PHE A 170 18.975 -10.320 -4.360 1.00 0.00 C ATOM 1030 CG PHE A 170 19.899 -11.321 -3.727 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.399 -12.331 -2.920 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.266 -11.253 -3.940 1.00 0.00 C ATOM 1033 CE1 PHE A 170 20.247 -13.253 -2.337 1.00 0.00 C ATOM 1034 CE2 PHE A 170 22.119 -12.173 -3.359 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.608 -13.175 -2.557 1.00 0.00 C ATOM 0 H PHE A 170 19.630 -9.505 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 170 18.287 -11.893 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.525 -9.398 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.178 -10.079 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.335 -12.398 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.670 -10.472 -4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 170 19.845 -14.035 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 170 23.183 -12.108 -3.532 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.272 -13.896 -2.103 1.00 0.00 H new ATOM 1045 N CYS A 171 15.977 -10.898 -5.199 1.00 0.00 N ATOM 1046 CA CYS A 171 14.588 -10.460 -5.263 1.00 0.00 C ATOM 1047 C CYS A 171 13.825 -10.886 -4.012 1.00 0.00 C ATOM 1048 O CYS A 171 14.227 -11.817 -3.312 1.00 0.00 O ATOM 1049 CB CYS A 171 13.907 -11.033 -6.508 1.00 0.00 C ATOM 1050 SG CYS A 171 14.234 -12.804 -6.785 1.00 0.00 S ATOM 0 H CYS A 171 16.128 -11.741 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 171 14.579 -9.372 -5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.831 -10.882 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.239 -10.472 -7.382 1.00 0.00 H new ATOM 1055 N CYS A 172 12.722 -10.199 -3.735 1.00 0.00 N ATOM 1056 CA CYS A 172 11.902 -10.505 -2.569 1.00 0.00 C ATOM 1057 C CYS A 172 10.460 -10.055 -2.785 1.00 0.00 C ATOM 1058 O CYS A 172 10.166 -9.300 -3.712 1.00 0.00 O ATOM 1059 CB CYS A 172 12.478 -9.828 -1.324 1.00 0.00 C ATOM 1060 SG CYS A 172 12.845 -8.057 -1.542 1.00 0.00 S ATOM 0 H CYS A 172 12.375 -9.426 -4.303 1.00 0.00 H new ATOM 0 HA CYS A 172 11.909 -11.585 -2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.772 -9.943 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.393 -10.344 -1.033 1.00 0.00 H new ATOM 1065 N PHE A 173 9.564 -10.523 -1.923 1.00 0.00 N ATOM 1066 CA PHE A 173 8.153 -10.170 -2.019 1.00 0.00 C ATOM 1067 C PHE A 173 7.662 -9.531 -0.723 1.00 0.00 C ATOM 1068 O PHE A 173 6.490 -9.650 -0.364 1.00 0.00 O ATOM 1069 CB PHE A 173 7.315 -11.411 -2.338 1.00 0.00 C ATOM 1070 CG PHE A 173 7.563 -11.965 -3.712 1.00 0.00 C ATOM 1071 CD1 PHE A 173 8.773 -12.566 -4.023 1.00 0.00 C ATOM 1072 CD2 PHE A 173 6.588 -11.885 -4.692 1.00 0.00 C ATOM 1073 CE1 PHE A 173 9.004 -13.075 -5.286 1.00 0.00 C ATOM 1074 CE2 PHE A 173 6.813 -12.393 -5.957 1.00 0.00 C ATOM 1075 CZ PHE A 173 8.022 -12.990 -6.255 1.00 0.00 C ATOM 0 H PHE A 173 9.790 -11.148 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 173 8.040 -9.446 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.529 -12.184 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.259 -11.161 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 173 9.543 -12.637 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 173 5.640 -11.420 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 173 9.952 -13.539 -5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 173 6.044 -12.323 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 173 8.200 -13.389 -7.243 1.00 0.00 H new ATOM 1085 N ARG A 174 8.568 -8.854 -0.025 1.00 0.00 N ATOM 1086 CA ARG A 174 8.229 -8.198 1.232 1.00 0.00 C ATOM 1087 C ARG A 174 8.800 -6.783 1.278 1.00 0.00 C ATOM 1088 O ARG A 174 9.952 -6.556 0.907 1.00 0.00 O ATOM 1089 CB ARG A 174 8.757 -9.011 2.415 1.00 0.00 C ATOM 1090 CG ARG A 174 8.010 -10.316 2.639 1.00 0.00 C ATOM 1091 CD ARG A 174 7.811 -10.597 4.120 1.00 0.00 C ATOM 1092 NE ARG A 174 7.215 -11.911 4.352 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.945 -12.198 4.090 1.00 0.00 C ATOM 1094 NH1 ARG A 174 5.142 -11.271 3.589 1.00 0.00 N ATOM 1095 NH2 ARG A 174 5.477 -13.417 4.329 1.00 0.00 N ATOM 0 H ARG A 174 9.542 -8.746 -0.309 1.00 0.00 H new ATOM 0 HA ARG A 174 7.143 -8.136 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.812 -9.230 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.692 -8.405 3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.041 -10.271 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.564 -11.137 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 174 8.771 -10.539 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 174 7.172 -9.827 4.552 1.00 0.00 H new ATOM 0 HE ARG A 174 7.807 -12.648 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 174 5.499 -10.334 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 174 4.167 -11.495 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 174 6.093 -14.133 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 174 4.502 -13.637 4.128 1.00 0.00 H new ATOM 1109 N ASP A 175 7.987 -5.837 1.735 1.00 0.00 N ATOM 1110 CA ASP A 175 8.411 -4.445 1.831 1.00 0.00 C ATOM 1111 C ASP A 175 9.634 -4.310 2.733 1.00 0.00 C ATOM 1112 O ASP A 175 9.598 -4.685 3.905 1.00 0.00 O ATOM 1113 CB ASP A 175 7.270 -3.578 2.364 1.00 0.00 C ATOM 1114 CG ASP A 175 6.084 -3.538 1.422 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.589 -4.621 1.046 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.650 -2.425 1.059 1.00 0.00 O ATOM 0 H ASP A 175 7.030 -6.009 2.045 1.00 0.00 H new ATOM 0 HA ASP A 175 8.680 -4.103 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 175 6.948 -3.961 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.634 -2.564 2.528 1.00 0.00 H new ATOM 1121 N LEU A 176 10.716 -3.774 2.178 1.00 0.00 N ATOM 1122 CA LEU A 176 11.951 -3.590 2.932 1.00 0.00 C ATOM 1123 C LEU A 176 12.543 -4.934 3.344 1.00 0.00 C ATOM 1124 O LEU A 176 13.141 -5.060 4.412 1.00 0.00 O ATOM 1125 CB LEU A 176 11.692 -2.732 4.172 1.00 0.00 C ATOM 1126 CG LEU A 176 10.714 -1.571 3.992 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.694 -0.693 5.234 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.079 -0.751 2.763 1.00 0.00 C ATOM 0 H LEU A 176 10.763 -3.459 1.209 1.00 0.00 H new ATOM 0 HA LEU A 176 12.668 -3.080 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.315 -3.379 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.645 -2.329 4.516 1.00 0.00 H new ATOM 0 HG LEU A 176 9.715 -1.982 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 176 9.992 0.128 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.384 -1.286 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.691 -0.291 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.372 0.071 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.086 -0.350 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.041 -1.386 1.878 1.00 0.00 H new ATOM 1140 N CYS A 177 12.373 -5.936 2.488 1.00 0.00 N ATOM 1141 CA CYS A 177 12.892 -7.271 2.761 1.00 0.00 C ATOM 1142 C CYS A 177 14.358 -7.210 3.179 1.00 0.00 C ATOM 1143 O CYS A 177 14.856 -8.102 3.865 1.00 0.00 O ATOM 1144 CB CYS A 177 12.739 -8.162 1.527 1.00 0.00 C ATOM 1145 SG CYS A 177 14.017 -7.898 0.256 1.00 0.00 S ATOM 0 H CYS A 177 11.880 -5.849 1.599 1.00 0.00 H new ATOM 0 HA CYS A 177 12.316 -7.697 3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.764 -9.206 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.759 -7.985 1.084 1.00 0.00 H new ATOM 1150 N ASN A 178 15.043 -6.151 2.762 1.00 0.00 N ATOM 1151 CA ASN A 178 16.452 -5.973 3.093 1.00 0.00 C ATOM 1152 C ASN A 178 16.746 -4.522 3.461 1.00 0.00 C ATOM 1153 O ASN A 178 16.215 -3.596 2.848 1.00 0.00 O ATOM 1154 CB ASN A 178 17.332 -6.400 1.917 1.00 0.00 C ATOM 1155 CG ASN A 178 17.563 -5.274 0.928 1.00 0.00 C ATOM 1156 OD1 ASN A 178 18.702 -4.897 0.653 1.00 0.00 O ATOM 1157 ND2 ASN A 178 16.478 -4.730 0.388 1.00 0.00 N ATOM 0 H ASN A 178 14.645 -5.403 2.194 1.00 0.00 H new ATOM 0 HA ASN A 178 16.678 -6.601 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.292 -6.751 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.865 -7.240 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.570 -3.968 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 178 15.553 -5.074 0.645 1.00 0.00 H new