USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 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 84:sc= 0.552 USER MOD Set 1.2: A 148 THR OG1 : rot -41:sc= 0.329 USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -0.314 USER MOD Set 2.2: A 119 THR OG1 : rot 144:sc= 0.747 USER MOD Single : A 100 MET CE :methyl -115:sc= -0.406 (180deg=-3.79!) 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 180:sc= 0.0783 USER MOD Single : A 117 THR OG1 : rot 26:sc= 0.462 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 -130:sc= 0 (180deg=-0.157) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.765 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.193 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 178 ASN : amide:sc= 0.105 K(o=0.11,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.074 -1.359 -0.210 1.00 0.00 N ATOM 2 CA MET A 100 1.804 -1.413 -1.471 1.00 0.00 C ATOM 3 C MET A 100 3.212 -1.961 -1.261 1.00 0.00 C ATOM 4 O MET A 100 3.771 -1.862 -0.168 1.00 0.00 O ATOM 5 CB MET A 100 1.874 -0.022 -2.104 1.00 0.00 C ATOM 6 CG MET A 100 1.993 -0.050 -3.620 1.00 0.00 C ATOM 7 SD MET A 100 0.995 1.223 -4.417 1.00 0.00 S ATOM 8 CE MET A 100 1.582 1.104 -6.106 1.00 0.00 C ATOM 0 HA MET A 100 1.269 -2.084 -2.144 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.981 0.539 -1.828 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.728 0.514 -1.690 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.038 0.083 -3.901 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.687 -1.030 -3.987 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.088 2.029 -6.381 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.279 0.270 -6.191 1.00 0.00 H new ATOM 0 HE3 MET A 100 0.737 0.940 -6.774 1.00 0.00 H new ATOM 18 N LEU A 101 3.780 -2.539 -2.314 1.00 0.00 N ATOM 19 CA LEU A 101 5.123 -3.104 -2.245 1.00 0.00 C ATOM 20 C LEU A 101 6.170 -2.003 -2.114 1.00 0.00 C ATOM 21 O LEU A 101 6.228 -1.085 -2.933 1.00 0.00 O ATOM 22 CB LEU A 101 5.407 -3.949 -3.488 1.00 0.00 C ATOM 23 CG LEU A 101 6.323 -5.156 -3.284 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.969 -5.564 -4.598 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.384 -4.850 -2.237 1.00 0.00 C ATOM 0 H LEU A 101 3.331 -2.629 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 101 5.178 -3.740 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.456 -4.303 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.851 -3.305 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 101 5.719 -5.990 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.617 -6.425 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.194 -5.826 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.559 -4.734 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.027 -5.720 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.985 -4.002 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.902 -4.608 -1.290 1.00 0.00 H new ATOM 37 N LYS A 102 6.999 -2.101 -1.080 1.00 0.00 N ATOM 38 CA LYS A 102 8.047 -1.116 -0.843 1.00 0.00 C ATOM 39 C LYS A 102 9.429 -1.742 -1.004 1.00 0.00 C ATOM 40 O LYS A 102 9.688 -2.836 -0.501 1.00 0.00 O ATOM 41 CB LYS A 102 7.907 -0.519 0.559 1.00 0.00 C ATOM 42 CG LYS A 102 6.547 0.106 0.821 1.00 0.00 C ATOM 43 CD LYS A 102 6.625 1.183 1.891 1.00 0.00 C ATOM 44 CE LYS A 102 5.755 0.840 3.090 1.00 0.00 C ATOM 45 NZ LYS A 102 5.348 2.057 3.846 1.00 0.00 N ATOM 0 H LYS A 102 6.965 -2.854 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 102 7.938 -0.322 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.087 -1.301 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.679 0.237 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.159 0.537 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.844 -0.667 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.659 1.303 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.308 2.138 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.866 0.307 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.298 0.166 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.756 1.781 4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.196 2.552 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.807 2.689 3.222 1.00 0.00 H new ATOM 59 N CYS A 103 10.312 -1.042 -1.707 1.00 0.00 N ATOM 60 CA CYS A 103 11.668 -1.528 -1.934 1.00 0.00 C ATOM 61 C CYS A 103 12.691 -0.425 -1.681 1.00 0.00 C ATOM 62 O CYS A 103 12.470 0.734 -2.033 1.00 0.00 O ATOM 63 CB CYS A 103 11.811 -2.054 -3.364 1.00 0.00 C ATOM 64 SG CYS A 103 10.385 -3.027 -3.945 1.00 0.00 S ATOM 0 H CYS A 103 10.113 -0.135 -2.130 1.00 0.00 H new ATOM 0 HA CYS A 103 11.857 -2.342 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.959 -1.210 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.707 -2.671 -3.425 1.00 0.00 H new ATOM 69 N TYR A 104 13.811 -0.794 -1.069 1.00 0.00 N ATOM 70 CA TYR A 104 14.868 0.164 -0.767 1.00 0.00 C ATOM 71 C TYR A 104 15.588 0.601 -2.039 1.00 0.00 C ATOM 72 O TYR A 104 16.694 0.144 -2.329 1.00 0.00 O ATOM 73 CB TYR A 104 15.869 -0.443 0.217 1.00 0.00 C ATOM 74 CG TYR A 104 15.485 -0.253 1.667 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.424 1.016 2.230 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.182 -1.343 2.474 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.074 1.194 3.554 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.830 -1.174 3.799 1.00 0.00 C ATOM 79 CZ TYR A 104 14.778 0.096 4.335 1.00 0.00 C ATOM 80 OH TYR A 104 14.427 0.269 5.654 1.00 0.00 O ATOM 0 H TYR A 104 14.010 -1.749 -0.772 1.00 0.00 H new ATOM 0 HA TYR A 104 14.409 1.042 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 104 15.966 -1.509 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.849 0.004 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.654 1.878 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.222 -2.339 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.032 2.187 3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.597 -2.032 4.412 1.00 0.00 H new ATOM 0 HH TYR A 104 14.249 -0.604 6.062 1.00 0.00 H new ATOM 90 N THR A 105 14.952 1.490 -2.796 1.00 0.00 N ATOM 91 CA THR A 105 15.530 1.989 -4.037 1.00 0.00 C ATOM 92 C THR A 105 15.994 3.433 -3.886 1.00 0.00 C ATOM 93 O THR A 105 15.256 4.285 -3.389 1.00 0.00 O ATOM 94 CB THR A 105 14.523 1.905 -5.199 1.00 0.00 C ATOM 95 OG1 THR A 105 13.635 3.028 -5.161 1.00 0.00 O ATOM 96 CG2 THR A 105 13.720 0.614 -5.127 1.00 0.00 C ATOM 0 H THR A 105 14.036 1.879 -2.571 1.00 0.00 H new ATOM 0 HA THR A 105 16.388 1.356 -4.263 1.00 0.00 H new ATOM 0 HB THR A 105 15.081 1.916 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.999 2.967 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.015 0.577 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.396 -0.239 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.173 0.578 -4.185 1.00 0.00 H new ATOM 104 N CYS A 106 17.222 3.704 -4.317 1.00 0.00 N ATOM 105 CA CYS A 106 17.785 5.046 -4.230 1.00 0.00 C ATOM 106 C CYS A 106 17.295 5.917 -5.383 1.00 0.00 C ATOM 107 O CYS A 106 16.793 5.412 -6.388 1.00 0.00 O ATOM 108 CB CYS A 106 19.314 4.981 -4.239 1.00 0.00 C ATOM 109 SG CYS A 106 20.010 4.036 -5.632 1.00 0.00 S ATOM 0 H CYS A 106 17.846 3.011 -4.730 1.00 0.00 H new ATOM 0 HA CYS A 106 17.452 5.493 -3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.710 5.996 -4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.653 4.534 -3.305 1.00 0.00 H new ATOM 0 HG CYS A 106 21.308 4.040 -5.554 1.00 0.00 H new ATOM 262 N THR A 117 17.199 3.715 0.125 1.00 0.00 N ATOM 263 CA THR A 117 16.109 4.651 0.365 1.00 0.00 C ATOM 264 C THR A 117 14.754 3.977 0.178 1.00 0.00 C ATOM 265 O THR A 117 14.540 3.251 -0.793 1.00 0.00 O ATOM 266 CB THR A 117 16.197 5.869 -0.575 1.00 0.00 C ATOM 267 OG1 THR A 117 17.568 6.204 -0.815 1.00 0.00 O ATOM 268 CG2 THR A 117 15.473 7.066 0.022 1.00 0.00 C ATOM 0 HA THR A 117 16.205 4.989 1.397 1.00 0.00 H new ATOM 0 HB THR A 117 15.717 5.608 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.124 5.404 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.549 7.914 -0.659 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.423 6.817 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.928 7.327 0.978 1.00 0.00 H new ATOM 276 N ILE A 118 13.843 4.221 1.114 1.00 0.00 N ATOM 277 CA ILE A 118 12.509 3.639 1.051 1.00 0.00 C ATOM 278 C ILE A 118 11.705 4.229 -0.102 1.00 0.00 C ATOM 279 O ILE A 118 11.441 5.432 -0.139 1.00 0.00 O ATOM 280 CB ILE A 118 11.736 3.857 2.365 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.491 3.225 3.537 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.334 3.278 2.258 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.782 3.376 4.864 1.00 0.00 C ATOM 0 H ILE A 118 14.005 4.818 1.925 1.00 0.00 H new ATOM 0 HA ILE A 118 12.640 2.569 0.889 1.00 0.00 H new ATOM 0 HB ILE A 118 11.652 4.929 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.641 2.165 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.480 3.679 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.801 3.440 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.798 3.769 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.396 2.209 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.374 2.905 5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.656 4.435 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.804 2.897 4.811 1.00 0.00 H new ATOM 295 N THR A 119 11.315 3.375 -1.044 1.00 0.00 N ATOM 296 CA THR A 119 10.540 3.812 -2.198 1.00 0.00 C ATOM 297 C THR A 119 9.341 2.900 -2.432 1.00 0.00 C ATOM 298 O THR A 119 9.414 1.692 -2.206 1.00 0.00 O ATOM 299 CB THR A 119 11.402 3.844 -3.474 1.00 0.00 C ATOM 300 OG1 THR A 119 12.429 4.834 -3.347 1.00 0.00 O ATOM 301 CG2 THR A 119 10.549 4.146 -4.697 1.00 0.00 C ATOM 0 H THR A 119 11.524 2.377 -1.030 1.00 0.00 H new ATOM 0 HA THR A 119 10.189 4.821 -1.980 1.00 0.00 H new ATOM 0 HB THR A 119 11.858 2.862 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.246 4.516 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.180 4.163 -5.586 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.787 3.375 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.068 5.117 -4.575 1.00 0.00 H new ATOM 309 N ARG A 120 8.238 3.486 -2.887 1.00 0.00 N ATOM 310 CA ARG A 120 7.022 2.726 -3.151 1.00 0.00 C ATOM 311 C ARG A 120 7.009 2.201 -4.583 1.00 0.00 C ATOM 312 O ARG A 120 7.118 2.971 -5.539 1.00 0.00 O ATOM 313 CB ARG A 120 5.788 3.595 -2.904 1.00 0.00 C ATOM 314 CG ARG A 120 5.950 4.569 -1.748 1.00 0.00 C ATOM 315 CD ARG A 120 6.303 5.964 -2.240 1.00 0.00 C ATOM 316 NE ARG A 120 7.579 6.427 -1.703 1.00 0.00 N ATOM 317 CZ ARG A 120 7.727 6.915 -0.476 1.00 0.00 C ATOM 318 NH1 ARG A 120 6.683 7.001 0.336 1.00 0.00 N ATOM 319 NH2 ARG A 120 8.922 7.316 -0.060 1.00 0.00 N ATOM 0 H ARG A 120 8.162 4.485 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 120 7.001 1.875 -2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.561 4.155 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.933 2.949 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.026 4.608 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.730 4.211 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.347 5.964 -3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.515 6.660 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 120 8.402 6.373 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 120 5.764 6.692 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.799 7.376 1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.727 7.250 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.035 7.691 0.882 1.00 0.00 H new ATOM 333 N CYS A 121 6.876 0.887 -4.726 1.00 0.00 N ATOM 334 CA CYS A 121 6.850 0.258 -6.041 1.00 0.00 C ATOM 335 C CYS A 121 5.544 0.567 -6.766 1.00 0.00 C ATOM 336 O CYS A 121 4.647 1.201 -6.209 1.00 0.00 O ATOM 337 CB CYS A 121 7.027 -1.256 -5.909 1.00 0.00 C ATOM 338 SG CYS A 121 8.621 -1.758 -5.183 1.00 0.00 S ATOM 0 H CYS A 121 6.784 0.236 -3.946 1.00 0.00 H new ATOM 0 HA CYS A 121 7.675 0.664 -6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.219 -1.653 -5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.930 -1.710 -6.895 1.00 0.00 H new ATOM 343 N LYS A 122 5.443 0.115 -8.011 1.00 0.00 N ATOM 344 CA LYS A 122 4.247 0.341 -8.813 1.00 0.00 C ATOM 345 C LYS A 122 3.197 -0.732 -8.539 1.00 0.00 C ATOM 346 O LYS A 122 3.496 -1.808 -8.020 1.00 0.00 O ATOM 347 CB LYS A 122 4.601 0.354 -10.302 1.00 0.00 C ATOM 348 CG LYS A 122 6.013 0.837 -10.587 1.00 0.00 C ATOM 349 CD LYS A 122 6.141 1.383 -11.999 1.00 0.00 C ATOM 350 CE LYS A 122 7.505 1.069 -12.596 1.00 0.00 C ATOM 351 NZ LYS A 122 8.210 2.302 -13.045 1.00 0.00 N ATOM 0 H LYS A 122 6.176 -0.411 -8.487 1.00 0.00 H new ATOM 0 HA LYS A 122 3.832 1.310 -8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.482 -0.652 -10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.894 0.994 -10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.285 1.612 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.715 0.014 -10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.360 0.955 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.987 2.462 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.115 0.551 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.384 0.391 -13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.135 2.047 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.640 2.784 -13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.348 2.938 -12.234 1.00 0.00 H new ATOM 365 N PRO A 123 1.939 -0.436 -8.897 1.00 0.00 N ATOM 366 CA PRO A 123 0.821 -1.363 -8.701 1.00 0.00 C ATOM 367 C PRO A 123 0.903 -2.574 -9.625 1.00 0.00 C ATOM 368 O PRO A 123 0.429 -3.657 -9.286 1.00 0.00 O ATOM 369 CB PRO A 123 -0.407 -0.515 -9.039 1.00 0.00 C ATOM 370 CG PRO A 123 0.103 0.539 -9.961 1.00 0.00 C ATOM 371 CD PRO A 123 1.512 0.827 -9.522 1.00 0.00 C ATOM 0 HA PRO A 123 0.806 -1.776 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.184 -1.114 -9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.846 -0.078 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.079 0.197 -10.996 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.514 1.436 -9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.149 1.094 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.552 1.658 -8.817 1.00 0.00 H new ATOM 379 N GLU A 124 1.507 -2.381 -10.794 1.00 0.00 N ATOM 380 CA GLU A 124 1.650 -3.458 -11.766 1.00 0.00 C ATOM 381 C GLU A 124 2.735 -4.440 -11.334 1.00 0.00 C ATOM 382 O GLU A 124 2.715 -5.610 -11.716 1.00 0.00 O ATOM 383 CB GLU A 124 1.983 -2.888 -13.147 1.00 0.00 C ATOM 384 CG GLU A 124 1.280 -1.575 -13.448 1.00 0.00 C ATOM 385 CD GLU A 124 -0.219 -1.652 -13.233 1.00 0.00 C ATOM 386 OE1 GLU A 124 -0.764 -2.775 -13.253 1.00 0.00 O ATOM 387 OE2 GLU A 124 -0.846 -0.589 -13.044 1.00 0.00 O ATOM 0 H GLU A 124 1.905 -1.490 -11.090 1.00 0.00 H new ATOM 0 HA GLU A 124 0.701 -3.992 -11.820 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.060 -2.739 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.711 -3.619 -13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.694 -0.792 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.481 -1.288 -14.480 1.00 0.00 H new ATOM 394 N ASP A 125 3.680 -3.955 -10.537 1.00 0.00 N ATOM 395 CA ASP A 125 4.773 -4.790 -10.052 1.00 0.00 C ATOM 396 C ASP A 125 4.268 -5.813 -9.040 1.00 0.00 C ATOM 397 O ASP A 125 3.077 -5.864 -8.732 1.00 0.00 O ATOM 398 CB ASP A 125 5.863 -3.923 -9.418 1.00 0.00 C ATOM 399 CG ASP A 125 6.920 -3.498 -10.419 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.768 -3.821 -11.616 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.899 -2.843 -10.005 1.00 0.00 O ATOM 0 H ASP A 125 3.712 -2.988 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 125 5.194 -5.325 -10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.407 -3.037 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.337 -4.476 -8.606 1.00 0.00 H new ATOM 406 N THR A 126 5.183 -6.630 -8.525 1.00 0.00 N ATOM 407 CA THR A 126 4.830 -7.654 -7.550 1.00 0.00 C ATOM 408 C THR A 126 5.995 -7.942 -6.609 1.00 0.00 C ATOM 409 O THR A 126 5.801 -8.155 -5.413 1.00 0.00 O ATOM 410 CB THR A 126 4.406 -8.964 -8.239 1.00 0.00 C ATOM 411 OG1 THR A 126 5.441 -9.411 -9.122 1.00 0.00 O ATOM 412 CG2 THR A 126 3.115 -8.771 -9.021 1.00 0.00 C ATOM 0 H THR A 126 6.173 -6.602 -8.767 1.00 0.00 H new ATOM 0 HA THR A 126 3.989 -7.266 -6.975 1.00 0.00 H new ATOM 0 HB THR A 126 4.237 -9.715 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.164 -10.245 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.835 -9.710 -9.499 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.321 -8.459 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.262 -8.006 -9.783 1.00 0.00 H new ATOM 420 N ALA A 127 7.205 -7.947 -7.158 1.00 0.00 N ATOM 421 CA ALA A 127 8.402 -8.206 -6.367 1.00 0.00 C ATOM 422 C ALA A 127 9.425 -7.088 -6.537 1.00 0.00 C ATOM 423 O ALA A 127 9.200 -6.135 -7.283 1.00 0.00 O ATOM 424 CB ALA A 127 9.011 -9.545 -6.755 1.00 0.00 C ATOM 0 H ALA A 127 7.382 -7.775 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 127 8.113 -8.241 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.904 -9.726 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.287 -10.340 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.279 -9.530 -7.811 1.00 0.00 H new ATOM 430 N CYS A 128 10.550 -7.211 -5.840 1.00 0.00 N ATOM 431 CA CYS A 128 11.608 -6.211 -5.913 1.00 0.00 C ATOM 432 C CYS A 128 12.862 -6.792 -6.561 1.00 0.00 C ATOM 433 O CYS A 128 13.014 -8.009 -6.662 1.00 0.00 O ATOM 434 CB CYS A 128 11.939 -5.686 -4.514 1.00 0.00 C ATOM 435 SG CYS A 128 10.527 -4.924 -3.653 1.00 0.00 S ATOM 0 H CYS A 128 10.752 -7.994 -5.218 1.00 0.00 H new ATOM 0 HA CYS A 128 11.252 -5.385 -6.529 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.318 -6.509 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.741 -4.953 -4.593 1.00 0.00 H new ATOM 440 N MET A 129 13.757 -5.912 -6.998 1.00 0.00 N ATOM 441 CA MET A 129 14.998 -6.337 -7.634 1.00 0.00 C ATOM 442 C MET A 129 16.191 -5.579 -7.060 1.00 0.00 C ATOM 443 O MET A 129 16.044 -4.477 -6.532 1.00 0.00 O ATOM 444 CB MET A 129 14.921 -6.120 -9.147 1.00 0.00 C ATOM 445 CG MET A 129 15.523 -7.258 -9.955 1.00 0.00 C ATOM 446 SD MET A 129 15.658 -6.867 -11.710 1.00 0.00 S ATOM 447 CE MET A 129 17.086 -5.786 -11.708 1.00 0.00 C ATOM 0 H MET A 129 13.646 -4.901 -6.923 1.00 0.00 H new ATOM 0 HA MET A 129 15.135 -7.400 -7.433 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.877 -5.993 -9.435 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.436 -5.193 -9.400 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.512 -7.494 -9.562 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.910 -8.150 -9.832 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.854 -4.875 -12.260 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.348 -5.531 -10.681 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.927 -6.293 -12.182 1.00 0.00 H new ATOM 457 N THR A 130 17.374 -6.178 -7.166 1.00 0.00 N ATOM 458 CA THR A 130 18.591 -5.560 -6.656 1.00 0.00 C ATOM 459 C THR A 130 19.807 -5.985 -7.472 1.00 0.00 C ATOM 460 O THR A 130 20.044 -7.175 -7.679 1.00 0.00 O ATOM 461 CB THR A 130 18.828 -5.922 -5.178 1.00 0.00 C ATOM 462 OG1 THR A 130 17.582 -5.945 -4.473 1.00 0.00 O ATOM 463 CG2 THR A 130 19.770 -4.925 -4.520 1.00 0.00 C ATOM 0 H THR A 130 17.514 -7.090 -7.600 1.00 0.00 H new ATOM 0 HA THR A 130 18.457 -4.482 -6.742 1.00 0.00 H new ATOM 0 HB THR A 130 19.286 -6.910 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.681 -6.470 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.922 -5.202 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.728 -4.931 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.336 -3.926 -4.571 1.00 0.00 H new ATOM 471 N THR A 131 20.575 -5.003 -7.935 1.00 0.00 N ATOM 472 CA THR A 131 21.766 -5.275 -8.730 1.00 0.00 C ATOM 473 C THR A 131 23.035 -5.008 -7.928 1.00 0.00 C ATOM 474 O THR A 131 23.469 -3.862 -7.796 1.00 0.00 O ATOM 475 CB THR A 131 21.793 -4.422 -10.012 1.00 0.00 C ATOM 476 OG1 THR A 131 20.492 -4.394 -10.609 1.00 0.00 O ATOM 477 CG2 THR A 131 22.802 -4.974 -11.008 1.00 0.00 C ATOM 0 H THR A 131 20.393 -4.013 -7.773 1.00 0.00 H new ATOM 0 HA THR A 131 21.728 -6.329 -9.005 1.00 0.00 H new ATOM 0 HB THR A 131 22.090 -3.409 -9.742 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.951 -3.698 -10.181 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.803 -4.355 -11.905 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.796 -4.967 -10.561 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.531 -5.996 -11.272 1.00 0.00 H new ATOM 733 N THR A 148 22.270 -0.913 -8.355 1.00 0.00 N ATOM 734 CA THR A 148 21.003 -0.302 -8.735 1.00 0.00 C ATOM 735 C THR A 148 19.824 -1.171 -8.312 1.00 0.00 C ATOM 736 O THR A 148 19.565 -2.216 -8.910 1.00 0.00 O ATOM 737 CB THR A 148 20.929 -0.062 -10.255 1.00 0.00 C ATOM 738 OG1 THR A 148 21.528 -1.158 -10.954 1.00 0.00 O ATOM 739 CG2 THR A 148 21.633 1.233 -10.633 1.00 0.00 C ATOM 0 HA THR A 148 20.948 0.657 -8.219 1.00 0.00 H new ATOM 0 HB THR A 148 19.879 0.018 -10.537 1.00 0.00 H new ATOM 0 HG1 THR A 148 22.346 -1.434 -10.490 1.00 0.00 H new ATOM 0 HG21 THR A 148 21.568 1.381 -11.711 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.156 2.069 -10.122 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.681 1.177 -10.337 1.00 0.00 H new ATOM 747 N ARG A 149 19.113 -0.734 -7.278 1.00 0.00 N ATOM 748 CA ARG A 149 17.962 -1.473 -6.775 1.00 0.00 C ATOM 749 C ARG A 149 16.661 -0.886 -7.314 1.00 0.00 C ATOM 750 O ARG A 149 16.398 0.307 -7.165 1.00 0.00 O ATOM 751 CB ARG A 149 17.947 -1.455 -5.245 1.00 0.00 C ATOM 752 CG ARG A 149 17.330 -2.700 -4.627 1.00 0.00 C ATOM 753 CD ARG A 149 17.744 -2.864 -3.174 1.00 0.00 C ATOM 754 NE ARG A 149 17.148 -4.050 -2.565 1.00 0.00 N ATOM 755 CZ ARG A 149 15.864 -4.140 -2.237 1.00 0.00 C ATOM 756 NH1 ARG A 149 15.046 -3.121 -2.459 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.395 -5.253 -1.687 1.00 0.00 N ATOM 0 H ARG A 149 19.314 0.129 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 149 18.045 -2.504 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.969 -1.347 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.394 -0.579 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.244 -2.640 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.635 -3.579 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.830 -2.932 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.447 -1.979 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 149 17.750 -4.853 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 149 15.402 -2.264 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.061 -3.194 -2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 149 16.021 -6.040 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.409 -5.321 -1.435 1.00 0.00 H new ATOM 771 N SER A 150 15.851 -1.733 -7.941 1.00 0.00 N ATOM 772 CA SER A 150 14.579 -1.298 -8.506 1.00 0.00 C ATOM 773 C SER A 150 13.527 -2.396 -8.387 1.00 0.00 C ATOM 774 O SER A 150 13.855 -3.580 -8.309 1.00 0.00 O ATOM 775 CB SER A 150 14.757 -0.904 -9.974 1.00 0.00 C ATOM 776 OG SER A 150 15.318 -1.968 -10.723 1.00 0.00 O ATOM 0 H SER A 150 16.053 -2.724 -8.071 1.00 0.00 H new ATOM 0 HA SER A 150 14.238 -0.430 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.793 -0.625 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.401 -0.027 -10.043 1.00 0.00 H new ATOM 0 HG SER A 150 15.420 -1.692 -11.658 1.00 0.00 H new ATOM 782 N CYS A 151 12.260 -1.995 -8.374 1.00 0.00 N ATOM 783 CA CYS A 151 11.158 -2.943 -8.264 1.00 0.00 C ATOM 784 C CYS A 151 11.043 -3.792 -9.527 1.00 0.00 C ATOM 785 O CYS A 151 11.649 -3.483 -10.552 1.00 0.00 O ATOM 786 CB CYS A 151 9.844 -2.201 -8.013 1.00 0.00 C ATOM 787 SG CYS A 151 9.926 -0.976 -6.668 1.00 0.00 S ATOM 0 H CYS A 151 11.971 -1.019 -8.438 1.00 0.00 H new ATOM 0 HA CYS A 151 11.361 -3.603 -7.421 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.543 -1.697 -8.931 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.067 -2.929 -7.780 1.00 0.00 H new ATOM 792 N SER A 152 10.261 -4.863 -9.443 1.00 0.00 N ATOM 793 CA SER A 152 10.069 -5.760 -10.577 1.00 0.00 C ATOM 794 C SER A 152 8.677 -6.385 -10.546 1.00 0.00 C ATOM 795 O SER A 152 7.947 -6.251 -9.564 1.00 0.00 O ATOM 796 CB SER A 152 11.134 -6.858 -10.572 1.00 0.00 C ATOM 797 OG SER A 152 10.989 -7.713 -11.693 1.00 0.00 O ATOM 0 H SER A 152 9.750 -5.131 -8.602 1.00 0.00 H new ATOM 0 HA SER A 152 10.165 -5.175 -11.492 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.126 -6.407 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.056 -7.440 -9.654 1.00 0.00 H new ATOM 0 HG SER A 152 11.682 -8.405 -11.668 1.00 0.00 H new ATOM 803 N SER A 153 8.318 -7.068 -11.628 1.00 0.00 N ATOM 804 CA SER A 153 7.013 -7.711 -11.727 1.00 0.00 C ATOM 805 C SER A 153 7.163 -9.219 -11.901 1.00 0.00 C ATOM 806 O SER A 153 6.192 -9.922 -12.182 1.00 0.00 O ATOM 807 CB SER A 153 6.221 -7.127 -12.899 1.00 0.00 C ATOM 808 OG SER A 153 7.060 -6.900 -14.018 1.00 0.00 O ATOM 0 H SER A 153 8.912 -7.190 -12.448 1.00 0.00 H new ATOM 0 HA SER A 153 6.470 -7.522 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.418 -7.810 -13.175 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.753 -6.191 -12.595 1.00 0.00 H new ATOM 0 HG SER A 153 6.530 -6.528 -14.754 1.00 0.00 H new ATOM 814 N SER A 154 8.386 -9.710 -11.731 1.00 0.00 N ATOM 815 CA SER A 154 8.665 -11.134 -11.873 1.00 0.00 C ATOM 816 C SER A 154 10.068 -11.465 -11.373 1.00 0.00 C ATOM 817 O SER A 154 11.043 -11.378 -12.121 1.00 0.00 O ATOM 818 CB SER A 154 8.518 -11.562 -13.334 1.00 0.00 C ATOM 819 OG SER A 154 8.999 -10.557 -14.210 1.00 0.00 O ATOM 0 H SER A 154 9.200 -9.142 -11.495 1.00 0.00 H new ATOM 0 HA SER A 154 7.943 -11.682 -11.268 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.067 -12.489 -13.502 1.00 0.00 H new ATOM 0 HB3 SER A 154 7.470 -11.768 -13.552 1.00 0.00 H new ATOM 0 HG SER A 154 8.896 -10.855 -15.138 1.00 0.00 H new ATOM 825 N CYS A 155 10.163 -11.845 -10.103 1.00 0.00 N ATOM 826 CA CYS A 155 11.446 -12.189 -9.501 1.00 0.00 C ATOM 827 C CYS A 155 12.001 -13.478 -10.102 1.00 0.00 C ATOM 828 O CYS A 155 11.449 -14.559 -9.897 1.00 0.00 O ATOM 829 CB CYS A 155 11.297 -12.343 -7.986 1.00 0.00 C ATOM 830 SG CYS A 155 12.652 -13.269 -7.196 1.00 0.00 S ATOM 0 H CYS A 155 9.366 -11.923 -9.471 1.00 0.00 H new ATOM 0 HA CYS A 155 12.146 -11.380 -9.711 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.237 -11.352 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.354 -12.848 -7.774 1.00 0.00 H new ATOM 835 N VAL A 156 13.096 -13.354 -10.846 1.00 0.00 N ATOM 836 CA VAL A 156 13.727 -14.507 -11.475 1.00 0.00 C ATOM 837 C VAL A 156 15.229 -14.296 -11.628 1.00 0.00 C ATOM 838 O VAL A 156 15.670 -13.376 -12.316 1.00 0.00 O ATOM 839 CB VAL A 156 13.116 -14.795 -12.860 1.00 0.00 C ATOM 840 CG1 VAL A 156 11.695 -15.317 -12.719 1.00 0.00 C ATOM 841 CG2 VAL A 156 13.150 -13.545 -13.727 1.00 0.00 C ATOM 0 H VAL A 156 13.564 -12.466 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 156 13.548 -15.361 -10.822 1.00 0.00 H new ATOM 0 HB VAL A 156 13.713 -15.565 -13.348 1.00 0.00 H new ATOM 0 HG11 VAL A 156 11.280 -15.515 -13.707 1.00 0.00 H new ATOM 0 HG12 VAL A 156 11.702 -16.239 -12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 156 11.083 -14.572 -12.211 1.00 0.00 H new ATOM 0 HG21 VAL A 156 12.715 -13.766 -14.702 1.00 0.00 H new ATOM 0 HG22 VAL A 156 12.577 -12.752 -13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 156 14.182 -13.220 -13.856 1.00 0.00 H new ATOM 987 N LEU A 168 24.982 -9.969 -9.771 1.00 0.00 N ATOM 988 CA LEU A 168 24.028 -10.670 -8.918 1.00 0.00 C ATOM 989 C LEU A 168 22.677 -9.962 -8.916 1.00 0.00 C ATOM 990 O LEU A 168 22.554 -8.838 -8.428 1.00 0.00 O ATOM 991 CB LEU A 168 24.567 -10.768 -7.490 1.00 0.00 C ATOM 992 CG LEU A 168 25.489 -11.952 -7.200 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.706 -13.256 -7.217 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.628 -12.000 -8.208 1.00 0.00 C ATOM 0 HA LEU A 168 23.891 -11.675 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.107 -9.849 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.720 -10.817 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 168 25.915 -11.820 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.379 -14.087 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 168 23.926 -13.222 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.251 -13.395 -8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.274 -12.849 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.220 -12.107 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.206 -11.078 -8.148 1.00 0.00 H new ATOM 1006 N ILE A 169 21.665 -10.628 -9.463 1.00 0.00 N ATOM 1007 CA ILE A 169 20.322 -10.063 -9.521 1.00 0.00 C ATOM 1008 C ILE A 169 19.426 -10.665 -8.444 1.00 0.00 C ATOM 1009 O ILE A 169 18.807 -11.709 -8.649 1.00 0.00 O ATOM 1010 CB ILE A 169 19.675 -10.293 -10.900 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.649 -9.910 -12.016 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.384 -9.496 -11.018 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.097 -10.142 -13.405 1.00 0.00 C ATOM 0 H ILE A 169 21.750 -11.559 -9.872 1.00 0.00 H new ATOM 0 HA ILE A 169 20.422 -8.991 -9.349 1.00 0.00 H new ATOM 0 HB ILE A 169 19.436 -11.352 -11.001 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.915 -8.858 -11.910 1.00 0.00 H new ATOM 0 HG13 ILE A 169 21.568 -10.484 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.938 -9.668 -11.998 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.688 -9.814 -10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.600 -8.434 -10.899 1.00 0.00 H new ATOM 0 HD11 ILE A 169 20.841 -9.849 -14.146 1.00 0.00 H new ATOM 0 HD12 ILE A 169 19.858 -11.198 -13.530 1.00 0.00 H new ATOM 0 HD13 ILE A 169 19.194 -9.547 -13.542 1.00 0.00 H new ATOM 1025 N PHE A 170 19.360 -9.998 -7.297 1.00 0.00 N ATOM 1026 CA PHE A 170 18.539 -10.466 -6.187 1.00 0.00 C ATOM 1027 C PHE A 170 17.126 -9.896 -6.277 1.00 0.00 C ATOM 1028 O PHE A 170 16.918 -8.802 -6.802 1.00 0.00 O ATOM 1029 CB PHE A 170 19.175 -10.072 -4.852 1.00 0.00 C ATOM 1030 CG PHE A 170 20.119 -11.107 -4.309 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.352 -11.319 -4.904 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.772 -11.868 -3.205 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.223 -12.270 -4.407 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.639 -12.820 -2.703 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.866 -13.022 -3.305 1.00 0.00 C ATOM 0 H PHE A 170 19.865 -9.132 -7.112 1.00 0.00 H new ATOM 0 HA PHE A 170 18.478 -11.553 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.712 -9.132 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.386 -9.893 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.636 -10.734 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.813 -11.716 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.182 -12.425 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 170 20.357 -13.406 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.544 -13.766 -2.915 1.00 0.00 H new ATOM 1045 N CYS A 171 16.158 -10.647 -5.763 1.00 0.00 N ATOM 1046 CA CYS A 171 14.764 -10.219 -5.786 1.00 0.00 C ATOM 1047 C CYS A 171 13.999 -10.795 -4.598 1.00 0.00 C ATOM 1048 O CYS A 171 14.395 -11.809 -4.023 1.00 0.00 O ATOM 1049 CB CYS A 171 14.097 -10.652 -7.093 1.00 0.00 C ATOM 1050 SG CYS A 171 14.387 -12.395 -7.534 1.00 0.00 S ATOM 0 H CYS A 171 16.313 -11.555 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 171 14.743 -9.131 -5.718 1.00 0.00 H new ATOM 0 HB2 CYS A 171 13.023 -10.482 -7.014 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.461 -10.018 -7.902 1.00 0.00 H new ATOM 1055 N CYS A 172 12.901 -10.140 -4.235 1.00 0.00 N ATOM 1056 CA CYS A 172 12.080 -10.585 -3.115 1.00 0.00 C ATOM 1057 C CYS A 172 10.625 -10.167 -3.309 1.00 0.00 C ATOM 1058 O CYS A 172 10.311 -9.354 -4.179 1.00 0.00 O ATOM 1059 CB CYS A 172 12.616 -10.011 -1.803 1.00 0.00 C ATOM 1060 SG CYS A 172 13.085 -8.253 -1.896 1.00 0.00 S ATOM 0 H CYS A 172 12.559 -9.299 -4.700 1.00 0.00 H new ATOM 0 HA CYS A 172 12.125 -11.673 -3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.858 -10.133 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.485 -10.592 -1.493 1.00 0.00 H new ATOM 1065 N PHE A 173 9.740 -10.729 -2.492 1.00 0.00 N ATOM 1066 CA PHE A 173 8.318 -10.417 -2.573 1.00 0.00 C ATOM 1067 C PHE A 173 7.814 -9.830 -1.257 1.00 0.00 C ATOM 1068 O PHE A 173 6.637 -9.955 -0.921 1.00 0.00 O ATOM 1069 CB PHE A 173 7.518 -11.672 -2.924 1.00 0.00 C ATOM 1070 CG PHE A 173 7.458 -11.952 -4.399 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.554 -11.284 -5.209 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.306 -12.884 -4.975 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.497 -11.539 -6.566 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.254 -13.143 -6.332 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.348 -12.471 -7.128 1.00 0.00 C ATOM 0 H PHE A 173 9.983 -11.403 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 173 8.179 -9.675 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.961 -12.529 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.503 -11.565 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.886 -10.555 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 173 9.016 -13.414 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.788 -11.010 -7.186 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.922 -13.871 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 173 7.305 -12.673 -8.188 1.00 0.00 H new ATOM 1085 N ARG A 174 8.715 -9.192 -0.518 1.00 0.00 N ATOM 1086 CA ARG A 174 8.364 -8.588 0.762 1.00 0.00 C ATOM 1087 C ARG A 174 8.849 -7.143 0.832 1.00 0.00 C ATOM 1088 O ARG A 174 9.954 -6.826 0.391 1.00 0.00 O ATOM 1089 CB ARG A 174 8.965 -9.395 1.914 1.00 0.00 C ATOM 1090 CG ARG A 174 8.293 -10.742 2.129 1.00 0.00 C ATOM 1091 CD ARG A 174 7.895 -10.940 3.583 1.00 0.00 C ATOM 1092 NE ARG A 174 6.684 -11.745 3.714 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.972 -11.825 4.832 1.00 0.00 C ATOM 1094 NH1 ARG A 174 6.348 -11.153 5.911 1.00 0.00 N ATOM 1095 NH2 ARG A 174 4.881 -12.579 4.873 1.00 0.00 N ATOM 0 H ARG A 174 9.693 -9.080 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 174 7.278 -8.594 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 174 10.026 -9.554 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.893 -8.812 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.409 -10.814 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.970 -11.540 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 174 8.711 -11.423 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 174 7.737 -9.968 4.051 1.00 0.00 H new ATOM 0 HE ARG A 174 6.367 -12.275 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 174 7.186 -10.572 5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 174 5.799 -11.216 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 174 4.588 -13.098 4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 174 4.335 -12.640 5.732 1.00 0.00 H new ATOM 1109 N ASP A 175 8.015 -6.271 1.388 1.00 0.00 N ATOM 1110 CA ASP A 175 8.358 -4.859 1.517 1.00 0.00 C ATOM 1111 C ASP A 175 9.636 -4.683 2.331 1.00 0.00 C ATOM 1112 O ASP A 175 9.716 -5.115 3.482 1.00 0.00 O ATOM 1113 CB ASP A 175 7.210 -4.091 2.173 1.00 0.00 C ATOM 1114 CG ASP A 175 5.856 -4.486 1.616 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.403 -5.613 1.905 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.251 -3.668 0.892 1.00 0.00 O ATOM 0 H ASP A 175 7.096 -6.517 1.757 1.00 0.00 H new ATOM 0 HA ASP A 175 8.527 -4.459 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.224 -4.271 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.362 -3.022 2.027 1.00 0.00 H new ATOM 1121 N LEU A 176 10.633 -4.047 1.727 1.00 0.00 N ATOM 1122 CA LEU A 176 11.909 -3.814 2.396 1.00 0.00 C ATOM 1123 C LEU A 176 12.540 -5.130 2.839 1.00 0.00 C ATOM 1124 O LEU A 176 13.147 -5.212 3.907 1.00 0.00 O ATOM 1125 CB LEU A 176 11.713 -2.897 3.605 1.00 0.00 C ATOM 1126 CG LEU A 176 10.895 -1.629 3.360 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.952 -0.714 4.573 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.395 -0.903 2.119 1.00 0.00 C ATOM 0 H LEU A 176 10.583 -3.683 0.775 1.00 0.00 H new ATOM 0 HA LEU A 176 12.581 -3.331 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.229 -3.470 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.695 -2.605 3.978 1.00 0.00 H new ATOM 0 HG LEU A 176 9.857 -1.916 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.364 0.183 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.546 -1.234 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.987 -0.434 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.801 -0.003 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.441 -0.628 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.301 -1.557 1.252 1.00 0.00 H new ATOM 1140 N CYS A 177 12.394 -6.158 2.009 1.00 0.00 N ATOM 1141 CA CYS A 177 12.951 -7.471 2.313 1.00 0.00 C ATOM 1142 C CYS A 177 14.412 -7.357 2.740 1.00 0.00 C ATOM 1143 O CYS A 177 14.919 -8.196 3.483 1.00 0.00 O ATOM 1144 CB CYS A 177 12.835 -8.392 1.097 1.00 0.00 C ATOM 1145 SG CYS A 177 14.139 -8.145 -0.150 1.00 0.00 S ATOM 0 H CYS A 177 11.895 -6.107 1.121 1.00 0.00 H new ATOM 0 HA CYS A 177 12.381 -7.897 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.862 -9.428 1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.864 -8.235 0.627 1.00 0.00 H new ATOM 1150 N ASN A 178 15.082 -6.312 2.264 1.00 0.00 N ATOM 1151 CA ASN A 178 16.484 -6.088 2.597 1.00 0.00 C ATOM 1152 C ASN A 178 16.924 -4.687 2.181 1.00 0.00 C ATOM 1153 O ASN A 178 16.595 -4.220 1.091 1.00 0.00 O ATOM 1154 CB ASN A 178 17.365 -7.135 1.913 1.00 0.00 C ATOM 1155 CG ASN A 178 17.730 -6.747 0.493 1.00 0.00 C ATOM 1156 OD1 ASN A 178 17.045 -7.119 -0.459 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.814 -5.994 0.346 1.00 0.00 N ATOM 0 H ASN A 178 14.677 -5.608 1.647 1.00 0.00 H new ATOM 0 HA ASN A 178 16.595 -6.179 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.277 -7.274 2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.844 -8.093 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 178 19.109 -5.701 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 178 19.352 -5.709 1.164 1.00 0.00 H new