USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 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 105 THR OG1 : rot 180:sc= -0.851 USER MOD Set 1.2: A 119 THR OG1 : rot 132:sc= 1.08 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc=-0.00729 USER MOD Single : A 106 CYS SG : rot -62:sc= 0.0761 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 -156:sc= 0 (180deg=-0.807) USER MOD Single : A 130 THR OG1 : rot 77:sc= 0.58 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= -0.156 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.846 -1.708 -2.792 1.00 0.00 N ATOM 19 CA LEU A 101 3.404 -2.997 -3.186 1.00 0.00 C ATOM 20 C LEU A 101 4.890 -3.074 -2.849 1.00 0.00 C ATOM 21 O LEU A 101 5.676 -2.221 -3.263 1.00 0.00 O ATOM 22 CB LEU A 101 3.196 -3.228 -4.684 1.00 0.00 C ATOM 23 CG LEU A 101 2.970 -4.678 -5.114 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.380 -4.873 -6.566 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.738 -5.629 -4.209 1.00 0.00 C ATOM 0 HA LEU A 101 2.884 -3.776 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.339 -2.636 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.067 -2.844 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 101 1.907 -4.902 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.212 -5.911 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.785 -4.218 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.436 -4.630 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.565 -6.656 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.803 -5.405 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.397 -5.508 -3.181 1.00 0.00 H new ATOM 37 N LYS A 102 5.268 -4.102 -2.098 1.00 0.00 N ATOM 38 CA LYS A 102 6.660 -4.294 -1.708 1.00 0.00 C ATOM 39 C LYS A 102 7.195 -5.621 -2.237 1.00 0.00 C ATOM 40 O LYS A 102 6.590 -6.673 -2.030 1.00 0.00 O ATOM 41 CB LYS A 102 6.796 -4.247 -0.184 1.00 0.00 C ATOM 42 CG LYS A 102 6.881 -2.838 0.376 1.00 0.00 C ATOM 43 CD LYS A 102 5.881 -2.624 1.500 1.00 0.00 C ATOM 44 CE LYS A 102 6.516 -1.908 2.682 1.00 0.00 C ATOM 45 NZ LYS A 102 6.963 -2.862 3.734 1.00 0.00 N ATOM 0 H LYS A 102 4.630 -4.816 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 102 7.248 -3.486 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.943 -4.756 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.688 -4.800 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.890 -2.652 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.695 -2.117 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.037 -2.042 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.486 -3.587 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.368 -1.323 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.800 -1.206 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.390 -2.335 4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.146 -3.403 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.666 -3.516 3.334 1.00 0.00 H new ATOM 59 N CYS A 103 8.334 -5.565 -2.918 1.00 0.00 N ATOM 60 CA CYS A 103 8.952 -6.762 -3.476 1.00 0.00 C ATOM 61 C CYS A 103 10.442 -6.807 -3.149 1.00 0.00 C ATOM 62 O CYS A 103 11.099 -5.770 -3.053 1.00 0.00 O ATOM 63 CB CYS A 103 8.749 -6.807 -4.991 1.00 0.00 C ATOM 64 SG CYS A 103 7.098 -6.266 -5.537 1.00 0.00 S ATOM 0 H CYS A 103 8.849 -4.703 -3.097 1.00 0.00 H new ATOM 0 HA CYS A 103 8.473 -7.632 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.501 -6.178 -5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 103 8.919 -7.826 -5.339 1.00 0.00 H new ATOM 69 N TYR A 104 10.969 -8.015 -2.981 1.00 0.00 N ATOM 70 CA TYR A 104 12.380 -8.196 -2.663 1.00 0.00 C ATOM 71 C TYR A 104 13.256 -7.868 -3.869 1.00 0.00 C ATOM 72 O TYR A 104 13.711 -8.763 -4.583 1.00 0.00 O ATOM 73 CB TYR A 104 12.641 -9.632 -2.204 1.00 0.00 C ATOM 74 CG TYR A 104 12.232 -9.893 -0.773 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.873 -9.255 0.282 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.203 -10.778 -0.474 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.502 -9.492 1.592 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.825 -11.020 0.832 1.00 0.00 C ATOM 79 CZ TYR A 104 11.478 -10.375 1.861 1.00 0.00 C ATOM 80 OH TYR A 104 11.105 -10.613 3.165 1.00 0.00 O ATOM 0 H TYR A 104 10.440 -8.883 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 104 12.635 -7.511 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.102 -10.317 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.702 -9.853 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.675 -8.562 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.690 -11.286 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.011 -8.988 2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.023 -11.710 1.046 1.00 0.00 H new ATOM 0 HH TYR A 104 10.368 -11.259 3.182 1.00 0.00 H new ATOM 90 N THR A 105 13.489 -6.578 -4.090 1.00 0.00 N ATOM 91 CA THR A 105 14.310 -6.130 -5.208 1.00 0.00 C ATOM 92 C THR A 105 15.605 -5.492 -4.718 1.00 0.00 C ATOM 93 O THR A 105 15.590 -4.625 -3.844 1.00 0.00 O ATOM 94 CB THR A 105 13.554 -5.119 -6.090 1.00 0.00 C ATOM 95 OG1 THR A 105 13.638 -3.810 -5.516 1.00 0.00 O ATOM 96 CG2 THR A 105 12.094 -5.519 -6.241 1.00 0.00 C ATOM 0 H THR A 105 13.120 -5.825 -3.509 1.00 0.00 H new ATOM 0 HA THR A 105 14.546 -7.013 -5.801 1.00 0.00 H new ATOM 0 HB THR A 105 14.017 -5.113 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.156 -3.173 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.580 -4.790 -6.868 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.033 -6.504 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.622 -5.550 -5.259 1.00 0.00 H new ATOM 104 N CYS A 106 16.725 -5.926 -5.288 1.00 0.00 N ATOM 105 CA CYS A 106 18.030 -5.397 -4.910 1.00 0.00 C ATOM 106 C CYS A 106 18.315 -4.084 -5.635 1.00 0.00 C ATOM 107 O CYS A 106 17.528 -3.640 -6.471 1.00 0.00 O ATOM 108 CB CYS A 106 19.127 -6.415 -5.225 1.00 0.00 C ATOM 109 SG CYS A 106 19.114 -7.013 -6.946 1.00 0.00 S ATOM 0 H CYS A 106 16.755 -6.643 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 106 18.020 -5.205 -3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.097 -5.964 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.020 -7.268 -4.554 1.00 0.00 H new ATOM 0 HG CYS A 106 17.993 -7.627 -7.184 1.00 0.00 H new ATOM 276 N ILE A 118 14.019 -5.666 0.697 1.00 0.00 N ATOM 277 CA ILE A 118 12.673 -5.105 0.677 1.00 0.00 C ATOM 278 C ILE A 118 12.661 -3.727 0.023 1.00 0.00 C ATOM 279 O ILE A 118 13.266 -2.782 0.529 1.00 0.00 O ATOM 280 CB ILE A 118 12.090 -4.992 2.098 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.036 -6.369 2.762 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.704 -4.365 2.053 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.450 -6.345 4.156 1.00 0.00 C ATOM 0 HA ILE A 118 12.055 -5.787 0.092 1.00 0.00 H new ATOM 0 HB ILE A 118 12.740 -4.349 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.445 -7.041 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.044 -6.781 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.305 -4.292 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.769 -3.369 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.044 -4.985 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.443 -7.355 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.054 -5.699 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.430 -5.963 4.115 1.00 0.00 H new ATOM 295 N THR A 119 11.966 -3.620 -1.105 1.00 0.00 N ATOM 296 CA THR A 119 11.874 -2.358 -1.829 1.00 0.00 C ATOM 297 C THR A 119 10.422 -1.990 -2.109 1.00 0.00 C ATOM 298 O THR A 119 9.590 -2.859 -2.369 1.00 0.00 O ATOM 299 CB THR A 119 12.643 -2.418 -3.162 1.00 0.00 C ATOM 300 OG1 THR A 119 14.048 -2.529 -2.913 1.00 0.00 O ATOM 301 CG2 THR A 119 12.368 -1.179 -4.001 1.00 0.00 C ATOM 0 H THR A 119 11.459 -4.392 -1.537 1.00 0.00 H new ATOM 0 HA THR A 119 12.323 -1.595 -1.193 1.00 0.00 H new ATOM 0 HB THR A 119 12.302 -3.294 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.421 -3.252 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.922 -1.244 -4.938 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.301 -1.113 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.684 -0.291 -3.453 1.00 0.00 H new ATOM 309 N ARG A 120 10.123 -0.696 -2.054 1.00 0.00 N ATOM 310 CA ARG A 120 8.770 -0.213 -2.301 1.00 0.00 C ATOM 311 C ARG A 120 8.561 0.085 -3.783 1.00 0.00 C ATOM 312 O ARG A 120 9.279 0.894 -4.372 1.00 0.00 O ATOM 313 CB ARG A 120 8.495 1.045 -1.474 1.00 0.00 C ATOM 314 CG ARG A 120 9.142 1.022 -0.099 1.00 0.00 C ATOM 315 CD ARG A 120 10.416 1.852 -0.069 1.00 0.00 C ATOM 316 NE ARG A 120 10.758 2.280 1.285 1.00 0.00 N ATOM 317 CZ ARG A 120 11.943 2.777 1.621 1.00 0.00 C ATOM 318 NH1 ARG A 120 12.894 2.908 0.707 1.00 0.00 N ATOM 319 NH2 ARG A 120 12.179 3.145 2.874 1.00 0.00 N ATOM 0 H ARG A 120 10.800 0.037 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 120 8.072 -0.996 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.856 1.916 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.418 1.165 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.440 1.405 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.370 -0.007 0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.238 1.269 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.293 2.728 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 120 10.048 2.192 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.717 2.627 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.803 3.290 0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.450 3.046 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.090 3.526 3.131 1.00 0.00 H new ATOM 333 N CYS A 121 7.575 -0.576 -4.381 1.00 0.00 N ATOM 334 CA CYS A 121 7.271 -0.384 -5.794 1.00 0.00 C ATOM 335 C CYS A 121 6.434 0.875 -6.004 1.00 0.00 C ATOM 336 O CYS A 121 6.077 1.563 -5.049 1.00 0.00 O ATOM 337 CB CYS A 121 6.529 -1.602 -6.347 1.00 0.00 C ATOM 338 SG CYS A 121 7.512 -3.136 -6.345 1.00 0.00 S ATOM 0 H CYS A 121 6.973 -1.250 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 121 8.213 -0.266 -6.330 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.625 -1.761 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.211 -1.388 -7.367 1.00 0.00 H new ATOM 343 N LYS A 122 6.125 1.169 -7.263 1.00 0.00 N ATOM 344 CA LYS A 122 5.329 2.343 -7.601 1.00 0.00 C ATOM 345 C LYS A 122 3.866 2.134 -7.227 1.00 0.00 C ATOM 346 O LYS A 122 3.404 1.009 -7.032 1.00 0.00 O ATOM 347 CB LYS A 122 5.446 2.649 -9.096 1.00 0.00 C ATOM 348 CG LYS A 122 6.721 3.384 -9.469 1.00 0.00 C ATOM 349 CD LYS A 122 6.538 4.891 -9.396 1.00 0.00 C ATOM 350 CE LYS A 122 6.865 5.427 -8.011 1.00 0.00 C ATOM 351 NZ LYS A 122 7.958 6.438 -8.051 1.00 0.00 N ATOM 0 H LYS A 122 6.414 0.610 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 122 5.714 3.189 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.399 1.714 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.588 3.247 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.526 3.081 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.023 3.102 -10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.180 5.372 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.510 5.146 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.972 5.875 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.157 4.602 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.151 6.779 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.818 6.004 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.669 7.238 -8.650 1.00 0.00 H new ATOM 365 N PRO A 123 3.116 3.241 -7.124 1.00 0.00 N ATOM 366 CA PRO A 123 1.693 3.205 -6.775 1.00 0.00 C ATOM 367 C PRO A 123 0.837 2.611 -7.888 1.00 0.00 C ATOM 368 O PRO A 123 -0.205 2.010 -7.629 1.00 0.00 O ATOM 369 CB PRO A 123 1.342 4.679 -6.560 1.00 0.00 C ATOM 370 CG PRO A 123 2.336 5.428 -7.379 1.00 0.00 C ATOM 371 CD PRO A 123 3.600 4.615 -7.343 1.00 0.00 C ATOM 0 HA PRO A 123 1.504 2.576 -5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.323 4.894 -6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.410 4.953 -5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.982 5.554 -8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.502 6.426 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.159 4.700 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.264 4.940 -6.542 1.00 0.00 H new ATOM 379 N GLU A 124 1.286 2.782 -9.128 1.00 0.00 N ATOM 380 CA GLU A 124 0.560 2.262 -10.281 1.00 0.00 C ATOM 381 C GLU A 124 0.748 0.753 -10.407 1.00 0.00 C ATOM 382 O GLU A 124 -0.134 0.046 -10.894 1.00 0.00 O ATOM 383 CB GLU A 124 1.029 2.955 -11.562 1.00 0.00 C ATOM 384 CG GLU A 124 1.324 4.435 -11.381 1.00 0.00 C ATOM 385 CD GLU A 124 0.160 5.191 -10.770 1.00 0.00 C ATOM 386 OE1 GLU A 124 -0.996 4.762 -10.966 1.00 0.00 O ATOM 387 OE2 GLU A 124 0.407 6.213 -10.096 1.00 0.00 O ATOM 0 H GLU A 124 2.148 3.276 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.500 2.467 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.927 2.456 -11.927 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.264 2.837 -12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.202 4.552 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.570 4.874 -12.348 1.00 0.00 H new ATOM 394 N ASP A 125 1.904 0.269 -9.967 1.00 0.00 N ATOM 395 CA ASP A 125 2.209 -1.156 -10.029 1.00 0.00 C ATOM 396 C ASP A 125 1.491 -1.915 -8.918 1.00 0.00 C ATOM 397 O ASP A 125 1.269 -1.383 -7.830 1.00 0.00 O ATOM 398 CB ASP A 125 3.718 -1.381 -9.925 1.00 0.00 C ATOM 399 CG ASP A 125 4.410 -1.302 -11.272 1.00 0.00 C ATOM 400 OD1 ASP A 125 3.919 -0.560 -12.148 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.442 -1.982 -11.450 1.00 0.00 O ATOM 0 H ASP A 125 2.645 0.842 -9.564 1.00 0.00 H new ATOM 0 HA ASP A 125 1.858 -1.536 -10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.148 -0.637 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.907 -2.358 -9.480 1.00 0.00 H new ATOM 406 N THR A 126 1.129 -3.163 -9.199 1.00 0.00 N ATOM 407 CA THR A 126 0.434 -3.995 -8.225 1.00 0.00 C ATOM 408 C THR A 126 0.857 -5.455 -8.347 1.00 0.00 C ATOM 409 O THR A 126 0.204 -6.347 -7.807 1.00 0.00 O ATOM 410 CB THR A 126 -1.094 -3.899 -8.393 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.517 -4.703 -9.499 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.525 -2.457 -8.613 1.00 0.00 C ATOM 0 H THR A 126 1.306 -3.620 -10.094 1.00 0.00 H new ATOM 0 HA THR A 126 0.708 -3.622 -7.238 1.00 0.00 H new ATOM 0 HB THR A 126 -1.561 -4.265 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.490 -4.638 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.608 -2.415 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.228 -1.854 -7.755 1.00 0.00 H new ATOM 0 HG23 THR A 126 -1.048 -2.068 -9.513 1.00 0.00 H new ATOM 420 N ALA A 127 1.953 -5.690 -9.061 1.00 0.00 N ATOM 421 CA ALA A 127 2.464 -7.042 -9.251 1.00 0.00 C ATOM 422 C ALA A 127 3.987 -7.046 -9.336 1.00 0.00 C ATOM 423 O ALA A 127 4.584 -6.207 -10.011 1.00 0.00 O ATOM 424 CB ALA A 127 1.862 -7.662 -10.504 1.00 0.00 C ATOM 0 H ALA A 127 2.504 -4.962 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 127 2.173 -7.639 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.252 -8.671 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.777 -7.702 -10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.125 -7.057 -11.372 1.00 0.00 H new ATOM 430 N CYS A 128 4.610 -7.996 -8.647 1.00 0.00 N ATOM 431 CA CYS A 128 6.064 -8.109 -8.642 1.00 0.00 C ATOM 432 C CYS A 128 6.542 -9.013 -9.775 1.00 0.00 C ATOM 433 O CYS A 128 5.782 -9.828 -10.295 1.00 0.00 O ATOM 434 CB CYS A 128 6.550 -8.656 -7.299 1.00 0.00 C ATOM 435 SG CYS A 128 5.894 -7.765 -5.852 1.00 0.00 S ATOM 0 H CYS A 128 4.131 -8.699 -8.085 1.00 0.00 H new ATOM 0 HA CYS A 128 6.482 -7.114 -8.793 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.269 -9.706 -7.224 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.639 -8.615 -7.275 1.00 0.00 H new ATOM 440 N MET A 129 7.808 -8.861 -10.152 1.00 0.00 N ATOM 441 CA MET A 129 8.388 -9.664 -11.222 1.00 0.00 C ATOM 442 C MET A 129 9.752 -10.211 -10.812 1.00 0.00 C ATOM 443 O MET A 129 10.521 -9.539 -10.124 1.00 0.00 O ATOM 444 CB MET A 129 8.522 -8.831 -12.498 1.00 0.00 C ATOM 445 CG MET A 129 8.164 -9.595 -13.762 1.00 0.00 C ATOM 446 SD MET A 129 8.675 -8.734 -15.262 1.00 0.00 S ATOM 447 CE MET A 129 10.203 -9.588 -15.639 1.00 0.00 C ATOM 0 H MET A 129 8.451 -8.190 -9.732 1.00 0.00 H new ATOM 0 HA MET A 129 7.722 -10.505 -11.414 1.00 0.00 H new ATOM 0 HB2 MET A 129 7.879 -7.954 -12.419 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.547 -8.469 -12.580 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.635 -10.578 -13.734 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.087 -9.758 -13.790 1.00 0.00 H new ATOM 0 HE1 MET A 129 10.842 -8.942 -16.242 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.716 -9.842 -14.712 1.00 0.00 H new ATOM 0 HE3 MET A 129 9.983 -10.500 -16.194 1.00 0.00 H new ATOM 457 N THR A 130 10.045 -11.436 -11.238 1.00 0.00 N ATOM 458 CA THR A 130 11.315 -12.074 -10.914 1.00 0.00 C ATOM 459 C THR A 130 11.902 -12.779 -12.132 1.00 0.00 C ATOM 460 O THR A 130 11.255 -13.633 -12.740 1.00 0.00 O ATOM 461 CB THR A 130 11.156 -13.094 -9.771 1.00 0.00 C ATOM 462 OG1 THR A 130 10.184 -12.626 -8.830 1.00 0.00 O ATOM 463 CG2 THR A 130 12.483 -13.326 -9.065 1.00 0.00 C ATOM 0 H THR A 130 9.420 -12.006 -11.808 1.00 0.00 H new ATOM 0 HA THR A 130 11.993 -11.284 -10.593 1.00 0.00 H new ATOM 0 HB THR A 130 10.821 -14.039 -10.199 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.284 -12.763 -9.193 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.346 -14.050 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.213 -13.709 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.843 -12.385 -8.648 1.00 0.00 H new ATOM 471 N THR A 131 13.133 -12.418 -12.483 1.00 0.00 N ATOM 472 CA THR A 131 13.807 -13.017 -13.628 1.00 0.00 C ATOM 473 C THR A 131 14.596 -14.254 -13.216 1.00 0.00 C ATOM 474 O THR A 131 15.678 -14.149 -12.636 1.00 0.00 O ATOM 475 CB THR A 131 14.761 -12.015 -14.305 1.00 0.00 C ATOM 476 OG1 THR A 131 14.222 -10.691 -14.219 1.00 0.00 O ATOM 477 CG2 THR A 131 14.986 -12.382 -15.763 1.00 0.00 C ATOM 0 H THR A 131 13.683 -11.714 -11.991 1.00 0.00 H new ATOM 0 HA THR A 131 13.031 -13.304 -14.337 1.00 0.00 H new ATOM 0 HB THR A 131 15.719 -12.052 -13.786 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.835 -10.060 -14.650 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.663 -11.660 -16.220 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.423 -13.379 -15.824 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.033 -12.371 -16.292 1.00 0.00 H new ATOM 747 N ARG A 149 14.794 -9.420 -9.363 1.00 0.00 N ATOM 748 CA ARG A 149 13.400 -9.099 -9.082 1.00 0.00 C ATOM 749 C ARG A 149 13.134 -7.610 -9.283 1.00 0.00 C ATOM 750 O ARG A 149 13.898 -6.764 -8.818 1.00 0.00 O ATOM 751 CB ARG A 149 13.040 -9.504 -7.651 1.00 0.00 C ATOM 752 CG ARG A 149 11.589 -9.927 -7.485 1.00 0.00 C ATOM 753 CD ARG A 149 11.224 -10.101 -6.019 1.00 0.00 C ATOM 754 NE ARG A 149 9.780 -10.057 -5.806 1.00 0.00 N ATOM 755 CZ ARG A 149 9.174 -10.610 -4.762 1.00 0.00 C ATOM 756 NH1 ARG A 149 9.883 -11.246 -3.840 1.00 0.00 N ATOM 757 NH2 ARG A 149 7.855 -10.528 -4.638 1.00 0.00 N ATOM 0 HA ARG A 149 12.776 -9.659 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.687 -10.325 -7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.245 -8.667 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 149 10.937 -9.180 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.418 -10.863 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 149 11.615 -11.053 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.701 -9.317 -5.431 1.00 0.00 H new ATOM 0 HE ARG A 149 9.205 -9.575 -6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 149 10.897 -11.311 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 149 9.415 -11.670 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 149 7.306 -10.040 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 149 7.391 -10.953 -3.835 1.00 0.00 H new ATOM 771 N SER A 150 12.046 -7.297 -9.979 1.00 0.00 N ATOM 772 CA SER A 150 11.681 -5.911 -10.245 1.00 0.00 C ATOM 773 C SER A 150 10.165 -5.735 -10.229 1.00 0.00 C ATOM 774 O SER A 150 9.416 -6.684 -10.464 1.00 0.00 O ATOM 775 CB SER A 150 12.243 -5.464 -11.596 1.00 0.00 C ATOM 776 OG SER A 150 12.182 -6.513 -12.546 1.00 0.00 O ATOM 0 H SER A 150 11.402 -7.985 -10.369 1.00 0.00 H new ATOM 0 HA SER A 150 12.110 -5.291 -9.458 1.00 0.00 H new ATOM 0 HB2 SER A 150 11.680 -4.605 -11.961 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.276 -5.139 -11.474 1.00 0.00 H new ATOM 0 HG SER A 150 12.545 -6.201 -13.401 1.00 0.00 H new ATOM 782 N CYS A 151 9.721 -4.514 -9.950 1.00 0.00 N ATOM 783 CA CYS A 151 8.295 -4.212 -9.902 1.00 0.00 C ATOM 784 C CYS A 151 7.678 -4.275 -11.296 1.00 0.00 C ATOM 785 O CYS A 151 8.363 -4.071 -12.299 1.00 0.00 O ATOM 786 CB CYS A 151 8.067 -2.827 -9.294 1.00 0.00 C ATOM 787 SG CYS A 151 8.999 -2.526 -7.758 1.00 0.00 S ATOM 0 H CYS A 151 10.328 -3.718 -9.754 1.00 0.00 H new ATOM 0 HA CYS A 151 7.811 -4.961 -9.276 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.343 -2.070 -10.028 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.003 -2.702 -9.091 1.00 0.00 H new ATOM 792 N SER A 152 6.381 -4.560 -11.351 1.00 0.00 N ATOM 793 CA SER A 152 5.672 -4.654 -12.622 1.00 0.00 C ATOM 794 C SER A 152 4.205 -4.268 -12.455 1.00 0.00 C ATOM 795 O SER A 152 3.694 -4.196 -11.338 1.00 0.00 O ATOM 796 CB SER A 152 5.778 -6.072 -13.185 1.00 0.00 C ATOM 797 OG SER A 152 5.082 -6.186 -14.414 1.00 0.00 O ATOM 0 H SER A 152 5.800 -4.730 -10.530 1.00 0.00 H new ATOM 0 HA SER A 152 6.135 -3.958 -13.321 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.827 -6.331 -13.332 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.372 -6.783 -12.466 1.00 0.00 H new ATOM 0 HG SER A 152 5.166 -7.101 -14.754 1.00 0.00 H new ATOM 803 N SER A 153 3.534 -4.021 -13.576 1.00 0.00 N ATOM 804 CA SER A 153 2.127 -3.639 -13.555 1.00 0.00 C ATOM 805 C SER A 153 1.284 -4.630 -14.351 1.00 0.00 C ATOM 806 O SER A 153 0.124 -4.363 -14.667 1.00 0.00 O ATOM 807 CB SER A 153 1.951 -2.230 -14.124 1.00 0.00 C ATOM 808 OG SER A 153 2.772 -2.034 -15.263 1.00 0.00 O ATOM 0 H SER A 153 3.942 -4.079 -14.509 1.00 0.00 H new ATOM 0 HA SER A 153 1.788 -3.650 -12.519 1.00 0.00 H new ATOM 0 HB2 SER A 153 0.907 -2.071 -14.393 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.200 -1.492 -13.361 1.00 0.00 H new ATOM 0 HG SER A 153 2.640 -1.127 -15.609 1.00 0.00 H new ATOM 814 N SER A 154 1.875 -5.777 -14.673 1.00 0.00 N ATOM 815 CA SER A 154 1.180 -6.807 -15.435 1.00 0.00 C ATOM 816 C SER A 154 1.940 -8.129 -15.380 1.00 0.00 C ATOM 817 O SER A 154 2.801 -8.400 -16.217 1.00 0.00 O ATOM 818 CB SER A 154 1.008 -6.366 -16.890 1.00 0.00 C ATOM 819 OG SER A 154 2.156 -5.676 -17.353 1.00 0.00 O ATOM 0 H SER A 154 2.833 -6.016 -14.418 1.00 0.00 H new ATOM 0 HA SER A 154 0.197 -6.953 -14.988 1.00 0.00 H new ATOM 0 HB2 SER A 154 0.826 -7.238 -17.518 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.133 -5.722 -16.977 1.00 0.00 H new ATOM 0 HG SER A 154 2.022 -5.406 -18.286 1.00 0.00 H new ATOM 825 N CYS A 155 1.616 -8.949 -14.386 1.00 0.00 N ATOM 826 CA CYS A 155 2.266 -10.243 -14.218 1.00 0.00 C ATOM 827 C CYS A 155 1.875 -11.198 -15.342 1.00 0.00 C ATOM 828 O CYS A 155 0.698 -11.508 -15.527 1.00 0.00 O ATOM 829 CB CYS A 155 1.895 -10.852 -12.864 1.00 0.00 C ATOM 830 SG CYS A 155 2.167 -12.651 -12.759 1.00 0.00 S ATOM 0 H CYS A 155 0.906 -8.740 -13.684 1.00 0.00 H new ATOM 0 HA CYS A 155 3.344 -10.088 -14.256 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.478 -10.361 -12.085 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.846 -10.641 -12.658 1.00 0.00 H new ATOM 1006 N ILE A 169 9.855 -16.254 -15.668 1.00 0.00 N ATOM 1007 CA ILE A 169 9.446 -15.001 -15.046 1.00 0.00 C ATOM 1008 C ILE A 169 8.447 -15.246 -13.921 1.00 0.00 C ATOM 1009 O ILE A 169 7.258 -15.451 -14.167 1.00 0.00 O ATOM 1010 CB ILE A 169 8.820 -14.040 -16.074 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.833 -13.700 -17.170 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.329 -12.775 -15.387 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.704 -14.567 -18.402 1.00 0.00 C ATOM 0 HA ILE A 169 10.346 -14.544 -14.635 1.00 0.00 H new ATOM 0 HB ILE A 169 7.965 -14.533 -16.536 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.710 -12.656 -17.456 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.840 -13.803 -16.767 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.889 -12.106 -16.127 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.578 -13.034 -14.641 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.167 -12.277 -14.900 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.453 -14.270 -19.136 1.00 0.00 H new ATOM 0 HD12 ILE A 169 9.857 -15.611 -18.130 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.709 -14.446 -18.830 1.00 0.00 H new ATOM 1025 N PHE A 170 8.936 -15.221 -12.686 1.00 0.00 N ATOM 1026 CA PHE A 170 8.086 -15.440 -11.522 1.00 0.00 C ATOM 1027 C PHE A 170 7.494 -14.123 -11.026 1.00 0.00 C ATOM 1028 O PHE A 170 8.204 -13.276 -10.484 1.00 0.00 O ATOM 1029 CB PHE A 170 8.882 -16.109 -10.400 1.00 0.00 C ATOM 1030 CG PHE A 170 8.843 -17.610 -10.450 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.339 -18.293 -11.549 1.00 0.00 C ATOM 1032 CD2 PHE A 170 8.309 -18.337 -9.398 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.304 -19.674 -11.597 1.00 0.00 C ATOM 1034 CE2 PHE A 170 8.273 -19.718 -9.441 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.770 -20.387 -10.543 1.00 0.00 C ATOM 0 H PHE A 170 9.917 -15.051 -12.465 1.00 0.00 H new ATOM 0 HA PHE A 170 7.269 -16.097 -11.819 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.919 -15.778 -10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.491 -15.775 -9.439 1.00 0.00 H new ATOM 0 HD1 PHE A 170 9.757 -17.740 -12.377 1.00 0.00 H new ATOM 0 HD2 PHE A 170 7.917 -17.819 -8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 170 9.694 -20.195 -12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 170 7.857 -20.274 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.741 -21.466 -10.579 1.00 0.00 H new ATOM 1045 N CYS A 171 6.189 -13.960 -11.215 1.00 0.00 N ATOM 1046 CA CYS A 171 5.500 -12.748 -10.789 1.00 0.00 C ATOM 1047 C CYS A 171 4.352 -13.080 -9.840 1.00 0.00 C ATOM 1048 O CYS A 171 3.864 -14.210 -9.809 1.00 0.00 O ATOM 1049 CB CYS A 171 4.969 -11.984 -12.003 1.00 0.00 C ATOM 1050 SG CYS A 171 4.073 -13.023 -13.201 1.00 0.00 S ATOM 0 H CYS A 171 5.587 -14.652 -11.661 1.00 0.00 H new ATOM 0 HA CYS A 171 6.216 -12.120 -10.259 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.305 -11.191 -11.658 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.805 -11.502 -12.510 1.00 0.00 H new ATOM 1055 N CYS A 172 3.924 -12.087 -9.068 1.00 0.00 N ATOM 1056 CA CYS A 172 2.833 -12.271 -8.119 1.00 0.00 C ATOM 1057 C CYS A 172 2.055 -10.973 -7.925 1.00 0.00 C ATOM 1058 O CYS A 172 2.328 -9.969 -8.582 1.00 0.00 O ATOM 1059 CB CYS A 172 3.376 -12.759 -6.774 1.00 0.00 C ATOM 1060 SG CYS A 172 4.923 -11.945 -6.259 1.00 0.00 S ATOM 0 H CYS A 172 4.317 -11.146 -9.081 1.00 0.00 H new ATOM 0 HA CYS A 172 2.155 -13.022 -8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.619 -12.595 -6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.545 -13.834 -6.831 1.00 0.00 H new ATOM 1065 N PHE A 173 1.084 -11.002 -7.018 1.00 0.00 N ATOM 1066 CA PHE A 173 0.265 -9.828 -6.737 1.00 0.00 C ATOM 1067 C PHE A 173 0.166 -9.580 -5.235 1.00 0.00 C ATOM 1068 O PHE A 173 -0.836 -9.058 -4.746 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.135 -10.003 -7.330 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.176 -9.856 -8.824 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -1.291 -8.604 -9.407 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.099 -10.969 -9.646 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.330 -8.466 -10.782 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.136 -10.837 -11.021 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.251 -9.583 -11.590 1.00 0.00 C ATOM 0 H PHE A 173 0.845 -11.825 -6.465 1.00 0.00 H new ATOM 0 HA PHE A 173 0.743 -8.964 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.515 -10.988 -7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.805 -9.269 -6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.351 -7.726 -8.780 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.009 -11.951 -9.207 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.422 -7.485 -11.224 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.075 -11.713 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.279 -9.477 -12.664 1.00 0.00 H new ATOM 1085 N ARG A 174 1.212 -9.960 -4.509 1.00 0.00 N ATOM 1086 CA ARG A 174 1.243 -9.781 -3.062 1.00 0.00 C ATOM 1087 C ARG A 174 2.632 -9.351 -2.597 1.00 0.00 C ATOM 1088 O ARG A 174 3.644 -9.844 -3.095 1.00 0.00 O ATOM 1089 CB ARG A 174 0.837 -11.077 -2.358 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.647 -11.389 -2.465 1.00 0.00 C ATOM 1091 CD ARG A 174 -1.369 -11.120 -1.155 1.00 0.00 C ATOM 1092 NE ARG A 174 -2.800 -11.398 -1.251 1.00 0.00 N ATOM 1093 CZ ARG A 174 -3.697 -10.941 -0.384 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -3.314 -10.189 0.638 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -4.981 -11.237 -0.539 1.00 0.00 N ATOM 0 H ARG A 174 2.049 -10.394 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 174 0.532 -8.996 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.405 -11.905 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.111 -11.010 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.091 -10.785 -3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.781 -12.433 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.932 -11.735 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -1.221 -10.079 -0.866 1.00 0.00 H new ATOM 0 HE ARG A 174 -3.128 -11.974 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -2.328 -9.959 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -4.005 -9.840 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -5.280 -11.816 -1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -5.669 -10.886 0.127 1.00 0.00 H new ATOM 1109 N ASP A 175 2.670 -8.430 -1.641 1.00 0.00 N ATOM 1110 CA ASP A 175 3.934 -7.933 -1.108 1.00 0.00 C ATOM 1111 C ASP A 175 4.787 -9.080 -0.576 1.00 0.00 C ATOM 1112 O ASP A 175 4.344 -9.858 0.271 1.00 0.00 O ATOM 1113 CB ASP A 175 3.678 -6.914 0.003 1.00 0.00 C ATOM 1114 CG ASP A 175 2.626 -5.892 -0.381 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.441 -6.272 -0.485 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.987 -4.712 -0.577 1.00 0.00 O ATOM 0 H ASP A 175 1.841 -8.012 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 175 4.476 -7.446 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.361 -7.437 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.609 -6.400 0.243 1.00 0.00 H new ATOM 1121 N LEU A 176 6.013 -9.181 -1.078 1.00 0.00 N ATOM 1122 CA LEU A 176 6.930 -10.234 -0.654 1.00 0.00 C ATOM 1123 C LEU A 176 6.277 -11.607 -0.781 1.00 0.00 C ATOM 1124 O LEU A 176 6.464 -12.476 0.072 1.00 0.00 O ATOM 1125 CB LEU A 176 7.374 -9.999 0.791 1.00 0.00 C ATOM 1126 CG LEU A 176 7.674 -8.550 1.174 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.243 -8.477 2.582 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.636 -7.923 0.175 1.00 0.00 C ATOM 0 H LEU A 176 6.395 -8.547 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 176 7.804 -10.206 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.596 -10.375 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.267 -10.595 0.977 1.00 0.00 H new ATOM 0 HG LEU A 176 6.741 -7.988 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.450 -7.438 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.521 -8.887 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.166 -9.054 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.839 -6.891 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.569 -8.487 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.191 -7.941 -0.820 1.00 0.00 H new ATOM 1140 N CYS A 177 5.513 -11.797 -1.851 1.00 0.00 N ATOM 1141 CA CYS A 177 4.835 -13.064 -2.092 1.00 0.00 C ATOM 1142 C CYS A 177 5.793 -14.238 -1.909 1.00 0.00 C ATOM 1143 O CYS A 177 5.375 -15.349 -1.587 1.00 0.00 O ATOM 1144 CB CYS A 177 4.243 -13.090 -3.503 1.00 0.00 C ATOM 1145 SG CYS A 177 5.455 -13.460 -4.811 1.00 0.00 S ATOM 0 H CYS A 177 5.348 -11.088 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 177 4.029 -13.159 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.448 -13.835 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.784 -12.123 -3.711 1.00 0.00 H new