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 76:sc= 0.292 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= -0.43 USER MOD Set 2.2: A 119 THR OG1 : rot 143:sc= 0.901 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.0776 USER MOD Single : A 117 THR OG1 : rot 35:sc= 0.281 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc=-0.000997 USER MOD Single : A 129 MET CE :methyl -130:sc= 0 (180deg=-0.0081) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.268 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.298 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= -1.73 K(o=-1.7,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.240 -0.470 -1.240 1.00 0.00 N ATOM 2 CA MET A 100 1.923 -0.889 -2.459 1.00 0.00 C ATOM 3 C MET A 100 3.294 -1.477 -2.139 1.00 0.00 C ATOM 4 O MET A 100 3.807 -1.315 -1.031 1.00 0.00 O ATOM 5 CB MET A 100 2.074 0.294 -3.417 1.00 0.00 C ATOM 6 CG MET A 100 2.817 1.475 -2.812 1.00 0.00 C ATOM 7 SD MET A 100 2.345 3.048 -3.556 1.00 0.00 S ATOM 8 CE MET A 100 1.505 3.833 -2.183 1.00 0.00 C ATOM 0 HA MET A 100 1.319 -1.660 -2.938 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.602 -0.038 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 100 1.084 0.622 -3.735 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.622 1.511 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.890 1.326 -2.936 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.153 4.819 -2.487 1.00 0.00 H new ATOM 0 HE2 MET A 100 0.655 3.222 -1.879 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.195 3.937 -1.346 1.00 0.00 H new ATOM 18 N LEU A 101 3.882 -2.161 -3.114 1.00 0.00 N ATOM 19 CA LEU A 101 5.194 -2.774 -2.936 1.00 0.00 C ATOM 20 C LEU A 101 6.283 -1.711 -2.843 1.00 0.00 C ATOM 21 O LEU A 101 6.430 -0.877 -3.737 1.00 0.00 O ATOM 22 CB LEU A 101 5.494 -3.728 -4.093 1.00 0.00 C ATOM 23 CG LEU A 101 6.341 -4.954 -3.750 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.058 -5.471 -4.987 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.341 -4.621 -2.652 1.00 0.00 C ATOM 0 H LEU A 101 3.471 -2.305 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 101 5.181 -3.337 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.547 -4.071 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.003 -3.167 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 101 5.678 -5.739 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.656 -6.344 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.324 -5.749 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.709 -4.691 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.935 -5.505 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.999 -3.820 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.806 -4.299 -1.758 1.00 0.00 H new ATOM 37 N LYS A 102 7.047 -1.747 -1.756 1.00 0.00 N ATOM 38 CA LYS A 102 8.127 -0.790 -1.547 1.00 0.00 C ATOM 39 C LYS A 102 9.477 -1.497 -1.487 1.00 0.00 C ATOM 40 O LYS A 102 9.643 -2.479 -0.763 1.00 0.00 O ATOM 41 CB LYS A 102 7.894 -0.002 -0.255 1.00 0.00 C ATOM 42 CG LYS A 102 6.968 1.189 -0.428 1.00 0.00 C ATOM 43 CD LYS A 102 5.808 1.141 0.552 1.00 0.00 C ATOM 44 CE LYS A 102 6.116 1.924 1.819 1.00 0.00 C ATOM 45 NZ LYS A 102 6.869 1.105 2.809 1.00 0.00 N ATOM 0 H LYS A 102 6.938 -2.429 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 102 8.136 -0.100 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.476 -0.670 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.854 0.347 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.530 2.112 -0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.583 1.207 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.914 1.548 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.589 0.104 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.696 2.811 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.185 2.270 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.059 1.675 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.305 0.271 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.770 0.796 2.391 1.00 0.00 H new ATOM 59 N CYS A 103 10.439 -0.991 -2.251 1.00 0.00 N ATOM 60 CA CYS A 103 11.775 -1.573 -2.285 1.00 0.00 C ATOM 61 C CYS A 103 12.841 -0.500 -2.081 1.00 0.00 C ATOM 62 O CYS A 103 12.697 0.630 -2.549 1.00 0.00 O ATOM 63 CB CYS A 103 12.008 -2.292 -3.615 1.00 0.00 C ATOM 64 SG CYS A 103 10.566 -3.231 -4.214 1.00 0.00 S ATOM 0 H CYS A 103 10.318 -0.178 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 103 11.850 -2.295 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.288 -1.557 -4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.852 -2.973 -3.505 1.00 0.00 H new ATOM 69 N TYR A 104 13.910 -0.861 -1.380 1.00 0.00 N ATOM 70 CA TYR A 104 14.999 0.070 -1.113 1.00 0.00 C ATOM 71 C TYR A 104 15.775 0.383 -2.389 1.00 0.00 C ATOM 72 O TYR A 104 16.802 -0.234 -2.673 1.00 0.00 O ATOM 73 CB TYR A 104 15.944 -0.507 -0.057 1.00 0.00 C ATOM 74 CG TYR A 104 15.546 -0.168 1.362 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.678 1.126 1.851 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.036 -1.141 2.213 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.316 1.440 3.147 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.671 -0.836 3.510 1.00 0.00 C ATOM 79 CZ TYR A 104 14.813 0.456 3.972 1.00 0.00 C ATOM 80 OH TYR A 104 14.450 0.765 5.263 1.00 0.00 O ATOM 0 H TYR A 104 14.045 -1.792 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 104 14.566 0.997 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 104 15.979 -1.591 -0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.952 -0.135 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.070 1.899 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.923 -2.153 1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.426 2.450 3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.277 -1.605 4.158 1.00 0.00 H new ATOM 0 HH TYR A 104 14.114 -0.040 5.710 1.00 0.00 H new ATOM 90 N THR A 105 15.276 1.347 -3.156 1.00 0.00 N ATOM 91 CA THR A 105 15.920 1.743 -4.402 1.00 0.00 C ATOM 92 C THR A 105 16.390 3.192 -4.341 1.00 0.00 C ATOM 93 O THR A 105 15.613 4.095 -4.029 1.00 0.00 O ATOM 94 CB THR A 105 14.971 1.573 -5.603 1.00 0.00 C ATOM 95 OG1 THR A 105 14.080 2.690 -5.686 1.00 0.00 O ATOM 96 CG2 THR A 105 14.169 0.286 -5.481 1.00 0.00 C ATOM 0 H THR A 105 14.427 1.868 -2.936 1.00 0.00 H new ATOM 0 HA THR A 105 16.782 1.089 -4.534 1.00 0.00 H new ATOM 0 HB THR A 105 15.574 1.522 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.481 2.574 -6.453 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.506 0.188 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.849 -0.565 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.576 0.312 -4.567 1.00 0.00 H new ATOM 104 N CYS A 106 17.666 3.408 -4.642 1.00 0.00 N ATOM 105 CA CYS A 106 18.241 4.747 -4.623 1.00 0.00 C ATOM 106 C CYS A 106 17.929 5.492 -5.918 1.00 0.00 C ATOM 107 O CYS A 106 17.186 4.999 -6.767 1.00 0.00 O ATOM 108 CB CYS A 106 19.755 4.672 -4.417 1.00 0.00 C ATOM 109 SG CYS A 106 20.615 3.595 -5.607 1.00 0.00 S ATOM 0 H CYS A 106 18.322 2.672 -4.902 1.00 0.00 H new ATOM 0 HA CYS A 106 17.795 5.295 -3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.171 5.677 -4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.956 4.313 -3.408 1.00 0.00 H new ATOM 0 HG CYS A 106 20.187 2.375 -5.476 1.00 0.00 H new ATOM 262 N THR A 117 17.079 3.628 -0.666 1.00 0.00 N ATOM 263 CA THR A 117 16.036 4.533 -0.198 1.00 0.00 C ATOM 264 C THR A 117 14.651 3.930 -0.406 1.00 0.00 C ATOM 265 O THR A 117 14.436 3.151 -1.335 1.00 0.00 O ATOM 266 CB THR A 117 16.106 5.892 -0.921 1.00 0.00 C ATOM 267 OG1 THR A 117 17.466 6.327 -1.016 1.00 0.00 O ATOM 268 CG2 THR A 117 15.283 6.939 -0.186 1.00 0.00 C ATOM 0 HA THR A 117 16.206 4.687 0.868 1.00 0.00 H new ATOM 0 HB THR A 117 15.695 5.767 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.050 5.550 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.348 7.890 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.242 6.618 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.669 7.060 0.826 1.00 0.00 H new ATOM 276 N ILE A 118 13.716 4.296 0.464 1.00 0.00 N ATOM 277 CA ILE A 118 12.351 3.792 0.374 1.00 0.00 C ATOM 278 C ILE A 118 11.645 4.333 -0.864 1.00 0.00 C ATOM 279 O ILE A 118 11.263 5.503 -0.913 1.00 0.00 O ATOM 280 CB ILE A 118 11.530 4.163 1.623 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.204 3.617 2.884 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.110 3.631 1.501 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.430 3.899 4.153 1.00 0.00 C ATOM 0 H ILE A 118 13.878 4.939 1.239 1.00 0.00 H new ATOM 0 HA ILE A 118 12.420 2.706 0.304 1.00 0.00 H new ATOM 0 HB ILE A 118 11.484 5.249 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.334 2.540 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.200 4.052 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.542 3.901 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.633 4.064 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.135 2.546 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.966 3.484 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.322 4.976 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.443 3.441 4.087 1.00 0.00 H new ATOM 295 N THR A 119 11.473 3.474 -1.864 1.00 0.00 N ATOM 296 CA THR A 119 10.812 3.866 -3.103 1.00 0.00 C ATOM 297 C THR A 119 9.574 3.014 -3.358 1.00 0.00 C ATOM 298 O THR A 119 9.544 1.830 -3.022 1.00 0.00 O ATOM 299 CB THR A 119 11.763 3.745 -4.309 1.00 0.00 C ATOM 300 OG1 THR A 119 12.823 4.701 -4.194 1.00 0.00 O ATOM 301 CG2 THR A 119 11.012 3.967 -5.613 1.00 0.00 C ATOM 0 H THR A 119 11.782 2.502 -1.840 1.00 0.00 H new ATOM 0 HA THR A 119 10.515 4.908 -2.988 1.00 0.00 H new ATOM 0 HB THR A 119 12.181 2.739 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.657 4.306 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.703 3.877 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.224 3.220 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.570 4.963 -5.613 1.00 0.00 H new ATOM 309 N ARG A 120 8.556 3.623 -3.957 1.00 0.00 N ATOM 310 CA ARG A 120 7.315 2.919 -4.257 1.00 0.00 C ATOM 311 C ARG A 120 7.386 2.252 -5.628 1.00 0.00 C ATOM 312 O ARG A 120 7.641 2.909 -6.638 1.00 0.00 O ATOM 313 CB ARG A 120 6.131 3.886 -4.210 1.00 0.00 C ATOM 314 CG ARG A 120 6.239 4.928 -3.109 1.00 0.00 C ATOM 315 CD ARG A 120 6.673 6.278 -3.660 1.00 0.00 C ATOM 316 NE ARG A 120 6.309 7.376 -2.769 1.00 0.00 N ATOM 317 CZ ARG A 120 6.515 8.656 -3.057 1.00 0.00 C ATOM 318 NH1 ARG A 120 7.079 8.997 -4.208 1.00 0.00 N ATOM 319 NH2 ARG A 120 6.156 9.598 -2.195 1.00 0.00 N ATOM 0 H ARG A 120 8.566 4.602 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 120 7.174 2.145 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.048 4.393 -5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.213 3.316 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.276 5.031 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.955 4.593 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.752 6.277 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.214 6.436 -4.636 1.00 0.00 H new ATOM 0 HE ARG A 120 5.872 7.147 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.355 8.276 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.236 9.981 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.721 9.340 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.315 10.581 -2.418 1.00 0.00 H new ATOM 333 N CYS A 121 7.160 0.943 -5.656 1.00 0.00 N ATOM 334 CA CYS A 121 7.200 0.186 -6.901 1.00 0.00 C ATOM 335 C CYS A 121 5.961 0.465 -7.747 1.00 0.00 C ATOM 336 O CYS A 121 5.048 1.170 -7.317 1.00 0.00 O ATOM 337 CB CYS A 121 7.304 -1.312 -6.608 1.00 0.00 C ATOM 338 SG CYS A 121 8.805 -1.789 -5.693 1.00 0.00 S ATOM 0 H CYS A 121 6.947 0.384 -4.830 1.00 0.00 H new ATOM 0 HA CYS A 121 8.080 0.502 -7.461 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.429 -1.621 -6.036 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.277 -1.858 -7.551 1.00 0.00 H new ATOM 343 N LYS A 122 5.936 -0.093 -8.952 1.00 0.00 N ATOM 344 CA LYS A 122 4.810 0.093 -9.860 1.00 0.00 C ATOM 345 C LYS A 122 3.710 -0.924 -9.578 1.00 0.00 C ATOM 346 O LYS A 122 3.932 -1.955 -8.942 1.00 0.00 O ATOM 347 CB LYS A 122 5.274 -0.031 -11.313 1.00 0.00 C ATOM 348 CG LYS A 122 6.718 0.388 -11.529 1.00 0.00 C ATOM 349 CD LYS A 122 7.048 0.512 -13.007 1.00 0.00 C ATOM 350 CE LYS A 122 8.540 0.362 -13.259 1.00 0.00 C ATOM 351 NZ LYS A 122 8.850 0.264 -14.713 1.00 0.00 N ATOM 0 H LYS A 122 6.684 -0.679 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 122 4.406 1.092 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.152 -1.064 -11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.629 0.580 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.899 1.342 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.383 -0.342 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.505 -0.249 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.711 1.481 -13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.068 1.215 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.907 -0.529 -12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.877 0.163 -14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.367 -0.564 -15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.523 1.125 -15.196 1.00 0.00 H new ATOM 365 N PRO A 123 2.493 -0.632 -10.062 1.00 0.00 N ATOM 366 CA PRO A 123 1.335 -1.510 -9.875 1.00 0.00 C ATOM 367 C PRO A 123 1.451 -2.801 -10.678 1.00 0.00 C ATOM 368 O PRO A 123 0.908 -3.835 -10.289 1.00 0.00 O ATOM 369 CB PRO A 123 0.164 -0.666 -10.386 1.00 0.00 C ATOM 370 CG PRO A 123 0.778 0.286 -11.354 1.00 0.00 C ATOM 371 CD PRO A 123 2.156 0.579 -10.829 1.00 0.00 C ATOM 0 HA PRO A 123 1.228 -1.829 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.592 -1.287 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.329 -0.138 -9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.825 -0.149 -12.352 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.188 1.199 -11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.866 0.753 -11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.166 1.469 -10.200 1.00 0.00 H new ATOM 379 N GLU A 124 2.163 -2.734 -11.798 1.00 0.00 N ATOM 380 CA GLU A 124 2.350 -3.899 -12.655 1.00 0.00 C ATOM 381 C GLU A 124 3.347 -4.875 -12.037 1.00 0.00 C ATOM 382 O GLU A 124 3.312 -6.074 -12.315 1.00 0.00 O ATOM 383 CB GLU A 124 2.833 -3.469 -14.041 1.00 0.00 C ATOM 384 CG GLU A 124 2.190 -2.185 -14.539 1.00 0.00 C ATOM 385 CD GLU A 124 2.529 -1.886 -15.986 1.00 0.00 C ATOM 386 OE1 GLU A 124 3.694 -2.099 -16.380 1.00 0.00 O ATOM 387 OE2 GLU A 124 1.627 -1.438 -16.725 1.00 0.00 O ATOM 0 H GLU A 124 2.620 -1.886 -12.133 1.00 0.00 H new ATOM 0 HA GLU A 124 1.388 -4.403 -12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.915 -3.337 -14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.627 -4.268 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.108 -2.259 -14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.516 -1.354 -13.914 1.00 0.00 H new ATOM 394 N ASP A 125 4.234 -4.352 -11.198 1.00 0.00 N ATOM 395 CA ASP A 125 5.242 -5.176 -10.540 1.00 0.00 C ATOM 396 C ASP A 125 4.612 -6.034 -9.447 1.00 0.00 C ATOM 397 O ASP A 125 3.408 -5.959 -9.199 1.00 0.00 O ATOM 398 CB ASP A 125 6.342 -4.296 -9.945 1.00 0.00 C ATOM 399 CG ASP A 125 7.480 -4.055 -10.917 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.348 -4.449 -12.094 1.00 0.00 O ATOM 401 OD2 ASP A 125 8.504 -3.473 -10.500 1.00 0.00 O ATOM 0 H ASP A 125 4.276 -3.362 -10.957 1.00 0.00 H new ATOM 0 HA ASP A 125 5.681 -5.836 -11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.915 -3.339 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.732 -4.767 -9.043 1.00 0.00 H new ATOM 406 N THR A 126 5.435 -6.850 -8.795 1.00 0.00 N ATOM 407 CA THR A 126 4.959 -7.724 -7.730 1.00 0.00 C ATOM 408 C THR A 126 6.058 -7.997 -6.710 1.00 0.00 C ATOM 409 O THR A 126 5.803 -8.054 -5.508 1.00 0.00 O ATOM 410 CB THR A 126 4.449 -9.066 -8.289 1.00 0.00 C ATOM 411 OG1 THR A 126 5.470 -9.687 -9.078 1.00 0.00 O ATOM 412 CG2 THR A 126 3.202 -8.860 -9.136 1.00 0.00 C ATOM 0 H THR A 126 6.434 -6.924 -8.986 1.00 0.00 H new ATOM 0 HA THR A 126 4.134 -7.205 -7.242 1.00 0.00 H new ATOM 0 HB THR A 126 4.196 -9.712 -7.449 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.139 -10.540 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.860 -9.821 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.417 -8.413 -8.526 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.434 -8.198 -9.970 1.00 0.00 H new ATOM 420 N ALA A 127 7.283 -8.165 -7.198 1.00 0.00 N ATOM 421 CA ALA A 127 8.422 -8.429 -6.328 1.00 0.00 C ATOM 422 C ALA A 127 9.510 -7.376 -6.513 1.00 0.00 C ATOM 423 O ALA A 127 9.379 -6.471 -7.337 1.00 0.00 O ATOM 424 CB ALA A 127 8.979 -9.819 -6.595 1.00 0.00 C ATOM 0 H ALA A 127 7.512 -8.123 -8.191 1.00 0.00 H new ATOM 0 HA ALA A 127 8.078 -8.380 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.829 -10.003 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.206 -10.563 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.301 -9.888 -7.634 1.00 0.00 H new ATOM 430 N CYS A 128 10.585 -7.501 -5.742 1.00 0.00 N ATOM 431 CA CYS A 128 11.697 -6.561 -5.820 1.00 0.00 C ATOM 432 C CYS A 128 12.949 -7.242 -6.364 1.00 0.00 C ATOM 433 O CYS A 128 13.042 -8.469 -6.382 1.00 0.00 O ATOM 434 CB CYS A 128 11.985 -5.965 -4.441 1.00 0.00 C ATOM 435 SG CYS A 128 10.564 -5.110 -3.688 1.00 0.00 S ATOM 0 H CYS A 128 10.710 -8.245 -5.055 1.00 0.00 H new ATOM 0 HA CYS A 128 11.416 -5.760 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.311 -6.763 -3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.814 -5.263 -4.527 1.00 0.00 H new ATOM 440 N MET A 129 13.909 -6.437 -6.807 1.00 0.00 N ATOM 441 CA MET A 129 15.156 -6.962 -7.350 1.00 0.00 C ATOM 442 C MET A 129 16.358 -6.259 -6.729 1.00 0.00 C ATOM 443 O MET A 129 16.248 -5.135 -6.237 1.00 0.00 O ATOM 444 CB MET A 129 15.184 -6.797 -8.871 1.00 0.00 C ATOM 445 CG MET A 129 15.768 -7.996 -9.601 1.00 0.00 C ATOM 446 SD MET A 129 15.725 -7.806 -11.394 1.00 0.00 S ATOM 447 CE MET A 129 17.108 -6.698 -11.651 1.00 0.00 C ATOM 0 H MET A 129 13.847 -5.419 -6.801 1.00 0.00 H new ATOM 0 HA MET A 129 15.212 -8.023 -7.105 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.169 -6.623 -9.228 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.766 -5.910 -9.122 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.799 -8.145 -9.280 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.214 -8.892 -9.321 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.794 -5.863 -12.277 1.00 0.00 H new ATOM 0 HE2 MET A 129 17.455 -6.321 -10.689 1.00 0.00 H new ATOM 0 HE3 MET A 129 17.918 -7.235 -12.144 1.00 0.00 H new ATOM 457 N THR A 130 17.507 -6.927 -6.753 1.00 0.00 N ATOM 458 CA THR A 130 18.730 -6.367 -6.190 1.00 0.00 C ATOM 459 C THR A 130 19.953 -6.809 -6.985 1.00 0.00 C ATOM 460 O THR A 130 19.957 -7.878 -7.596 1.00 0.00 O ATOM 461 CB THR A 130 18.911 -6.781 -4.718 1.00 0.00 C ATOM 462 OG1 THR A 130 17.633 -6.982 -4.104 1.00 0.00 O ATOM 463 CG2 THR A 130 19.687 -5.721 -3.950 1.00 0.00 C ATOM 0 H THR A 130 17.616 -7.857 -7.157 1.00 0.00 H new ATOM 0 HA THR A 130 18.637 -5.282 -6.246 1.00 0.00 H new ATOM 0 HB THR A 130 19.476 -7.713 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.757 -7.246 -3.169 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.803 -6.035 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.670 -5.591 -4.402 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.144 -4.776 -3.985 1.00 0.00 H new ATOM 471 N THR A 131 20.992 -5.980 -6.972 1.00 0.00 N ATOM 472 CA THR A 131 22.222 -6.285 -7.692 1.00 0.00 C ATOM 473 C THR A 131 23.444 -6.078 -6.805 1.00 0.00 C ATOM 474 O THR A 131 23.827 -4.945 -6.512 1.00 0.00 O ATOM 475 CB THR A 131 22.365 -5.414 -8.955 1.00 0.00 C ATOM 476 OG1 THR A 131 21.080 -5.192 -9.545 1.00 0.00 O ATOM 477 CG2 THR A 131 23.287 -6.075 -9.967 1.00 0.00 C ATOM 0 H THR A 131 21.006 -5.092 -6.471 1.00 0.00 H new ATOM 0 HA THR A 131 22.164 -7.333 -7.987 1.00 0.00 H new ATOM 0 HB THR A 131 22.800 -4.458 -8.663 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.589 -4.527 -9.019 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.372 -5.441 -10.850 1.00 0.00 H new ATOM 0 HG22 THR A 131 24.273 -6.215 -9.524 1.00 0.00 H new ATOM 0 HG23 THR A 131 22.878 -7.044 -10.254 1.00 0.00 H new ATOM 733 N THR A 148 22.930 -1.908 -7.210 1.00 0.00 N ATOM 734 CA THR A 148 21.691 -1.230 -7.569 1.00 0.00 C ATOM 735 C THR A 148 20.476 -2.079 -7.212 1.00 0.00 C ATOM 736 O THR A 148 20.513 -3.305 -7.311 1.00 0.00 O ATOM 737 CB THR A 148 21.647 -0.900 -9.073 1.00 0.00 C ATOM 738 OG1 THR A 148 21.486 -2.102 -9.834 1.00 0.00 O ATOM 739 CG2 THR A 148 22.918 -0.185 -9.507 1.00 0.00 C ATOM 0 HA THR A 148 21.663 -0.301 -6.999 1.00 0.00 H new ATOM 0 HB THR A 148 20.798 -0.240 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.458 -1.883 -10.789 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.864 0.038 -10.573 1.00 0.00 H new ATOM 0 HG22 THR A 148 23.022 0.744 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.779 -0.824 -9.313 1.00 0.00 H new ATOM 747 N ARG A 149 19.400 -1.418 -6.796 1.00 0.00 N ATOM 748 CA ARG A 149 18.174 -2.112 -6.423 1.00 0.00 C ATOM 749 C ARG A 149 16.971 -1.523 -7.155 1.00 0.00 C ATOM 750 O ARG A 149 16.774 -0.308 -7.166 1.00 0.00 O ATOM 751 CB ARG A 149 17.955 -2.030 -4.911 1.00 0.00 C ATOM 752 CG ARG A 149 17.252 -3.246 -4.331 1.00 0.00 C ATOM 753 CD ARG A 149 17.264 -3.223 -2.810 1.00 0.00 C ATOM 754 NE ARG A 149 15.918 -3.313 -2.251 1.00 0.00 N ATOM 755 CZ ARG A 149 15.160 -4.401 -2.332 1.00 0.00 C ATOM 756 NH1 ARG A 149 15.614 -5.485 -2.945 1.00 0.00 N ATOM 757 NH2 ARG A 149 13.945 -4.407 -1.798 1.00 0.00 N ATOM 0 H ARG A 149 19.353 -0.403 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 149 18.277 -3.158 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.920 -1.909 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.368 -1.140 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.222 -3.277 -4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.740 -4.154 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.867 -4.052 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.739 -2.305 -2.465 1.00 0.00 H new ATOM 0 HE ARG A 149 15.539 -2.496 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 149 16.548 -5.485 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 149 15.030 -6.319 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 149 13.592 -3.575 -1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 149 13.364 -5.243 -1.861 1.00 0.00 H new ATOM 771 N SER A 150 16.171 -2.392 -7.764 1.00 0.00 N ATOM 772 CA SER A 150 14.991 -1.957 -8.502 1.00 0.00 C ATOM 773 C SER A 150 13.870 -2.987 -8.389 1.00 0.00 C ATOM 774 O SER A 150 14.122 -4.176 -8.193 1.00 0.00 O ATOM 775 CB SER A 150 15.339 -1.725 -9.973 1.00 0.00 C ATOM 776 OG SER A 150 15.878 -2.897 -10.561 1.00 0.00 O ATOM 0 H SER A 150 16.318 -3.401 -7.761 1.00 0.00 H new ATOM 0 HA SER A 150 14.646 -1.019 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 150 14.446 -1.419 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 150 16.057 -0.909 -10.056 1.00 0.00 H new ATOM 0 HG SER A 150 16.091 -2.723 -11.502 1.00 0.00 H new ATOM 782 N CYS A 151 12.632 -2.520 -8.513 1.00 0.00 N ATOM 783 CA CYS A 151 11.472 -3.398 -8.425 1.00 0.00 C ATOM 784 C CYS A 151 11.413 -4.344 -9.621 1.00 0.00 C ATOM 785 O CYS A 151 12.081 -4.126 -10.632 1.00 0.00 O ATOM 786 CB CYS A 151 10.186 -2.572 -8.351 1.00 0.00 C ATOM 787 SG CYS A 151 10.243 -1.215 -7.137 1.00 0.00 S ATOM 0 H CYS A 151 12.407 -1.538 -8.675 1.00 0.00 H new ATOM 0 HA CYS A 151 11.567 -3.994 -7.517 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.977 -2.155 -9.336 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.356 -3.233 -8.102 1.00 0.00 H new ATOM 792 N SER A 152 10.609 -5.395 -9.499 1.00 0.00 N ATOM 793 CA SER A 152 10.465 -6.376 -10.568 1.00 0.00 C ATOM 794 C SER A 152 9.062 -6.976 -10.570 1.00 0.00 C ATOM 795 O SER A 152 8.273 -6.742 -9.654 1.00 0.00 O ATOM 796 CB SER A 152 11.506 -7.487 -10.413 1.00 0.00 C ATOM 797 OG SER A 152 11.401 -8.435 -11.461 1.00 0.00 O ATOM 0 H SER A 152 10.047 -5.589 -8.670 1.00 0.00 H new ATOM 0 HA SER A 152 10.625 -5.867 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.506 -7.054 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.370 -7.985 -9.453 1.00 0.00 H new ATOM 0 HG SER A 152 12.078 -9.133 -11.340 1.00 0.00 H new ATOM 803 N SER A 153 8.757 -7.750 -11.607 1.00 0.00 N ATOM 804 CA SER A 153 7.448 -8.380 -11.732 1.00 0.00 C ATOM 805 C SER A 153 7.577 -9.900 -11.747 1.00 0.00 C ATOM 806 O SER A 153 6.624 -10.611 -12.065 1.00 0.00 O ATOM 807 CB SER A 153 6.749 -7.903 -13.006 1.00 0.00 C ATOM 808 OG SER A 153 7.665 -7.798 -14.082 1.00 0.00 O ATOM 0 H SER A 153 9.399 -7.956 -12.373 1.00 0.00 H new ATOM 0 HA SER A 153 6.849 -8.092 -10.868 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.952 -8.598 -13.269 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.281 -6.935 -12.827 1.00 0.00 H new ATOM 0 HG SER A 153 7.193 -7.493 -14.885 1.00 0.00 H new ATOM 814 N SER A 154 8.763 -10.391 -11.402 1.00 0.00 N ATOM 815 CA SER A 154 9.018 -11.827 -11.379 1.00 0.00 C ATOM 816 C SER A 154 10.352 -12.130 -10.703 1.00 0.00 C ATOM 817 O SER A 154 11.407 -12.083 -11.335 1.00 0.00 O ATOM 818 CB SER A 154 9.016 -12.389 -12.802 1.00 0.00 C ATOM 819 OG SER A 154 9.609 -11.478 -13.711 1.00 0.00 O ATOM 0 H SER A 154 9.562 -9.816 -11.135 1.00 0.00 H new ATOM 0 HA SER A 154 8.223 -12.304 -10.806 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.558 -13.334 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 154 7.993 -12.602 -13.111 1.00 0.00 H new ATOM 0 HG SER A 154 9.597 -11.861 -14.613 1.00 0.00 H new ATOM 825 N CYS A 155 10.295 -12.443 -9.412 1.00 0.00 N ATOM 826 CA CYS A 155 11.497 -12.754 -8.647 1.00 0.00 C ATOM 827 C CYS A 155 12.118 -14.065 -9.120 1.00 0.00 C ATOM 828 O CYS A 155 11.509 -15.130 -9.008 1.00 0.00 O ATOM 829 CB CYS A 155 11.168 -12.842 -7.156 1.00 0.00 C ATOM 830 SG CYS A 155 12.385 -13.783 -6.180 1.00 0.00 S ATOM 0 H CYS A 155 9.429 -12.488 -8.874 1.00 0.00 H new ATOM 0 HA CYS A 155 12.218 -11.952 -8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.095 -11.833 -6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.188 -13.304 -7.038 1.00 0.00 H new ATOM 835 N VAL A 156 13.335 -13.980 -9.649 1.00 0.00 N ATOM 836 CA VAL A 156 14.040 -15.159 -10.138 1.00 0.00 C ATOM 837 C VAL A 156 15.550 -14.989 -10.010 1.00 0.00 C ATOM 838 O VAL A 156 16.029 -13.975 -9.504 1.00 0.00 O ATOM 839 CB VAL A 156 13.690 -15.453 -11.609 1.00 0.00 C ATOM 840 CG1 VAL A 156 12.260 -15.958 -11.727 1.00 0.00 C ATOM 841 CG2 VAL A 156 13.898 -14.212 -12.464 1.00 0.00 C ATOM 0 H VAL A 156 13.853 -13.107 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 156 13.718 -15.998 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 156 14.357 -16.234 -11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.031 -16.160 -12.773 1.00 0.00 H new ATOM 0 HG12 VAL A 156 12.149 -16.874 -11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 156 11.574 -15.202 -11.345 1.00 0.00 H new ATOM 0 HG21 VAL A 156 13.646 -14.438 -13.500 1.00 0.00 H new ATOM 0 HG22 VAL A 156 13.257 -13.409 -12.101 1.00 0.00 H new ATOM 0 HG23 VAL A 156 14.940 -13.899 -12.404 1.00 0.00 H new ATOM 987 N LEU A 168 25.221 -11.266 -8.447 1.00 0.00 N ATOM 988 CA LEU A 168 24.246 -11.788 -7.496 1.00 0.00 C ATOM 989 C LEU A 168 22.932 -11.018 -7.585 1.00 0.00 C ATOM 990 O LEU A 168 22.835 -9.881 -7.123 1.00 0.00 O ATOM 991 CB LEU A 168 24.800 -11.710 -6.072 1.00 0.00 C ATOM 992 CG LEU A 168 25.663 -12.889 -5.622 1.00 0.00 C ATOM 993 CD1 LEU A 168 24.805 -14.127 -5.408 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.758 -13.168 -6.641 1.00 0.00 C ATOM 0 HA LEU A 168 24.053 -12.831 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.391 -10.798 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.961 -11.615 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 168 26.134 -12.629 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.436 -14.956 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.057 -13.923 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.306 -14.390 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.362 -14.010 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.307 -13.407 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.391 -12.287 -6.746 1.00 0.00 H new ATOM 1006 N ILE A 169 21.923 -11.647 -8.179 1.00 0.00 N ATOM 1007 CA ILE A 169 20.614 -11.022 -8.325 1.00 0.00 C ATOM 1008 C ILE A 169 19.640 -11.532 -7.269 1.00 0.00 C ATOM 1009 O ILE A 169 19.190 -12.677 -7.325 1.00 0.00 O ATOM 1010 CB ILE A 169 20.020 -11.280 -9.722 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.975 -10.778 -10.807 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.662 -10.607 -9.853 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.215 -11.782 -11.913 1.00 0.00 C ATOM 0 H ILE A 169 21.987 -12.588 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 169 20.760 -9.950 -8.193 1.00 0.00 H new ATOM 0 HB ILE A 169 19.886 -12.354 -9.850 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.571 -9.863 -11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 169 21.930 -10.520 -10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 169 18.255 -10.799 -10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.983 -11.007 -9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.773 -9.532 -9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.901 -11.358 -12.646 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.648 -12.690 -11.493 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.269 -12.022 -12.398 1.00 0.00 H new ATOM 1025 N PHE A 170 19.317 -10.675 -6.306 1.00 0.00 N ATOM 1026 CA PHE A 170 18.395 -11.038 -5.237 1.00 0.00 C ATOM 1027 C PHE A 170 17.001 -10.479 -5.506 1.00 0.00 C ATOM 1028 O PHE A 170 16.848 -9.465 -6.188 1.00 0.00 O ATOM 1029 CB PHE A 170 18.912 -10.523 -3.892 1.00 0.00 C ATOM 1030 CG PHE A 170 19.788 -11.507 -3.170 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.141 -11.591 -3.458 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.259 -12.347 -2.203 1.00 0.00 C ATOM 1033 CE1 PHE A 170 21.950 -12.495 -2.795 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.063 -13.252 -1.537 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.410 -13.327 -1.834 1.00 0.00 C ATOM 0 H PHE A 170 19.680 -9.724 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 170 18.330 -12.126 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.472 -9.602 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.062 -10.271 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.568 -10.943 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.206 -12.294 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.003 -12.551 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 170 19.639 -13.900 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.040 -14.035 -1.316 1.00 0.00 H new ATOM 1045 N CYS A 171 15.987 -11.148 -4.968 1.00 0.00 N ATOM 1046 CA CYS A 171 14.606 -10.721 -5.150 1.00 0.00 C ATOM 1047 C CYS A 171 13.745 -11.142 -3.962 1.00 0.00 C ATOM 1048 O CYS A 171 14.091 -12.068 -3.228 1.00 0.00 O ATOM 1049 CB CYS A 171 14.034 -11.308 -6.442 1.00 0.00 C ATOM 1050 SG CYS A 171 14.206 -13.117 -6.576 1.00 0.00 S ATOM 0 H CYS A 171 16.097 -11.989 -4.402 1.00 0.00 H new ATOM 0 HA CYS A 171 14.595 -9.633 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.978 -11.048 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.532 -10.842 -7.292 1.00 0.00 H new ATOM 1055 N CYS A 172 12.621 -10.457 -3.781 1.00 0.00 N ATOM 1056 CA CYS A 172 11.710 -10.758 -2.683 1.00 0.00 C ATOM 1057 C CYS A 172 10.302 -10.258 -2.993 1.00 0.00 C ATOM 1058 O CYS A 172 10.100 -9.468 -3.915 1.00 0.00 O ATOM 1059 CB CYS A 172 12.214 -10.125 -1.385 1.00 0.00 C ATOM 1060 SG CYS A 172 12.776 -8.402 -1.568 1.00 0.00 S ATOM 0 H CYS A 172 12.319 -9.689 -4.381 1.00 0.00 H new ATOM 0 HA CYS A 172 11.674 -11.840 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.416 -10.159 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.037 -10.725 -0.996 1.00 0.00 H new ATOM 1065 N PHE A 173 9.330 -10.723 -2.214 1.00 0.00 N ATOM 1066 CA PHE A 173 7.941 -10.324 -2.405 1.00 0.00 C ATOM 1067 C PHE A 173 7.405 -9.611 -1.167 1.00 0.00 C ATOM 1068 O PHE A 173 6.217 -9.693 -0.856 1.00 0.00 O ATOM 1069 CB PHE A 173 7.075 -11.547 -2.717 1.00 0.00 C ATOM 1070 CG PHE A 173 7.071 -11.923 -4.172 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.274 -11.239 -5.075 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.865 -12.960 -4.635 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.269 -11.582 -6.414 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.864 -13.307 -5.972 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.064 -12.618 -6.863 1.00 0.00 C ATOM 0 H PHE A 173 9.479 -11.376 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 173 7.900 -9.633 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.433 -12.394 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.052 -11.349 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.649 -10.429 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 173 8.492 -13.503 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.644 -11.040 -7.108 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.488 -14.116 -6.321 1.00 0.00 H new ATOM 0 HZ PHE A 173 7.060 -12.889 -7.908 1.00 0.00 H new ATOM 1085 N ARG A 174 8.291 -8.912 -0.464 1.00 0.00 N ATOM 1086 CA ARG A 174 7.909 -8.186 0.741 1.00 0.00 C ATOM 1087 C ARG A 174 8.503 -6.781 0.740 1.00 0.00 C ATOM 1088 O ARG A 174 9.659 -6.585 0.366 1.00 0.00 O ATOM 1089 CB ARG A 174 8.369 -8.945 1.987 1.00 0.00 C ATOM 1090 CG ARG A 174 7.559 -10.200 2.269 1.00 0.00 C ATOM 1091 CD ARG A 174 8.433 -11.444 2.245 1.00 0.00 C ATOM 1092 NE ARG A 174 9.388 -11.463 3.350 1.00 0.00 N ATOM 1093 CZ ARG A 174 10.374 -12.347 3.453 1.00 0.00 C ATOM 1094 NH1 ARG A 174 10.535 -13.279 2.524 1.00 0.00 N ATOM 1095 NH2 ARG A 174 11.203 -12.300 4.489 1.00 0.00 N ATOM 0 H ARG A 174 9.278 -8.833 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 174 6.822 -8.103 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.418 -9.218 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.308 -8.282 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.076 -10.112 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 174 6.766 -10.297 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 174 7.802 -12.331 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.972 -11.490 1.299 1.00 0.00 H new ATOM 0 HE ARG A 174 9.293 -10.759 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.900 -13.319 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 174 11.293 -13.956 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 174 11.083 -11.585 5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 174 11.960 -12.979 4.568 1.00 0.00 H new ATOM 1109 N ASP A 175 7.704 -5.806 1.160 1.00 0.00 N ATOM 1110 CA ASP A 175 8.150 -4.419 1.208 1.00 0.00 C ATOM 1111 C ASP A 175 9.379 -4.274 2.100 1.00 0.00 C ATOM 1112 O ASP A 175 9.357 -4.653 3.272 1.00 0.00 O ATOM 1113 CB ASP A 175 7.026 -3.516 1.718 1.00 0.00 C ATOM 1114 CG ASP A 175 5.682 -3.864 1.108 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.123 -4.921 1.468 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.190 -3.080 0.269 1.00 0.00 O ATOM 0 H ASP A 175 6.744 -5.951 1.472 1.00 0.00 H new ATOM 0 HA ASP A 175 8.419 -4.115 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 175 6.962 -3.598 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.267 -2.477 1.491 1.00 0.00 H new ATOM 1121 N LEU A 176 10.450 -3.725 1.538 1.00 0.00 N ATOM 1122 CA LEU A 176 11.690 -3.531 2.282 1.00 0.00 C ATOM 1123 C LEU A 176 12.180 -4.847 2.877 1.00 0.00 C ATOM 1124 O LEU A 176 12.701 -4.881 3.992 1.00 0.00 O ATOM 1125 CB LEU A 176 11.485 -2.501 3.395 1.00 0.00 C ATOM 1126 CG LEU A 176 10.711 -1.240 3.008 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.709 -0.242 4.155 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.304 -0.614 1.754 1.00 0.00 C ATOM 0 H LEU A 176 10.485 -3.406 0.570 1.00 0.00 H new ATOM 0 HA LEU A 176 12.446 -3.163 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 176 10.962 -2.986 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.464 -2.202 3.770 1.00 0.00 H new ATOM 0 HG LEU A 176 9.679 -1.521 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.154 0.649 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.237 -0.692 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.735 0.034 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.741 0.282 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.345 -0.348 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.252 -1.327 0.932 1.00 0.00 H new ATOM 1140 N CYS A 177 12.012 -5.929 2.124 1.00 0.00 N ATOM 1141 CA CYS A 177 12.438 -7.249 2.575 1.00 0.00 C ATOM 1142 C CYS A 177 13.880 -7.214 3.071 1.00 0.00 C ATOM 1143 O CYS A 177 14.286 -8.039 3.888 1.00 0.00 O ATOM 1144 CB CYS A 177 12.301 -8.267 1.441 1.00 0.00 C ATOM 1145 SG CYS A 177 13.734 -8.325 0.317 1.00 0.00 S ATOM 0 H CYS A 177 11.584 -5.918 1.198 1.00 0.00 H new ATOM 0 HA CYS A 177 11.795 -7.549 3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.150 -9.257 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.408 -8.032 0.862 1.00 0.00 H new ATOM 1150 N ASN A 178 14.650 -6.253 2.570 1.00 0.00 N ATOM 1151 CA ASN A 178 16.047 -6.111 2.962 1.00 0.00 C ATOM 1152 C ASN A 178 16.432 -4.639 3.080 1.00 0.00 C ATOM 1153 O ASN A 178 16.369 -3.890 2.105 1.00 0.00 O ATOM 1154 CB ASN A 178 16.957 -6.807 1.948 1.00 0.00 C ATOM 1155 CG ASN A 178 16.511 -6.575 0.517 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.863 -5.574 0.211 1.00 0.00 O ATOM 1157 ND2 ASN A 178 16.857 -7.503 -0.368 1.00 0.00 N ATOM 0 H ASN A 178 14.330 -5.562 1.892 1.00 0.00 H new ATOM 0 HA ASN A 178 16.174 -6.581 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.978 -6.445 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.972 -7.878 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.585 -7.402 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 178 17.395 -8.317 -0.070 1.00 0.00 H new