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= -0.495 USER MOD Set 1.2: A 119 THR OG1 : rot 143:sc= 0.704 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= 0.0734 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 -143:sc= -0.0325 (180deg=-2.21!) USER MOD Single : A 130 THR OG1 : rot 150:sc= -0.952 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= -0.0576 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 2.799 -1.338 -2.946 1.00 0.00 N ATOM 19 CA LEU A 101 3.283 -2.671 -3.290 1.00 0.00 C ATOM 20 C LEU A 101 4.762 -2.819 -2.947 1.00 0.00 C ATOM 21 O LEU A 101 5.599 -2.044 -3.411 1.00 0.00 O ATOM 22 CB LEU A 101 3.063 -2.946 -4.778 1.00 0.00 C ATOM 23 CG LEU A 101 2.776 -4.399 -5.157 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.190 -4.668 -6.596 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.492 -5.349 -4.208 1.00 0.00 C ATOM 0 HA LEU A 101 2.719 -3.398 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.231 -2.331 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.948 -2.618 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 101 1.703 -4.571 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.978 -5.707 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.632 -4.012 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.257 -4.478 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.276 -6.379 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.567 -5.175 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.146 -5.174 -3.189 1.00 0.00 H new ATOM 37 N LYS A 102 5.077 -3.820 -2.132 1.00 0.00 N ATOM 38 CA LYS A 102 6.455 -4.074 -1.729 1.00 0.00 C ATOM 39 C LYS A 102 6.970 -5.374 -2.338 1.00 0.00 C ATOM 40 O LYS A 102 6.301 -6.406 -2.280 1.00 0.00 O ATOM 41 CB LYS A 102 6.559 -4.136 -0.203 1.00 0.00 C ATOM 42 CG LYS A 102 6.405 -2.785 0.473 1.00 0.00 C ATOM 43 CD LYS A 102 7.160 -2.732 1.791 1.00 0.00 C ATOM 44 CE LYS A 102 6.285 -3.179 2.952 1.00 0.00 C ATOM 45 NZ LYS A 102 7.064 -3.307 4.215 1.00 0.00 N ATOM 0 H LYS A 102 4.396 -4.469 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 102 7.071 -3.253 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.794 -4.813 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.525 -4.561 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.772 -2.001 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.348 -2.584 0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.042 -3.369 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.512 -1.716 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.477 -2.462 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.823 -4.136 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.433 -3.613 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.820 -4.010 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.484 -2.387 4.459 1.00 0.00 H new ATOM 59 N CYS A 103 8.163 -5.318 -2.920 1.00 0.00 N ATOM 60 CA CYS A 103 8.768 -6.491 -3.539 1.00 0.00 C ATOM 61 C CYS A 103 10.216 -6.658 -3.087 1.00 0.00 C ATOM 62 O CYS A 103 10.935 -5.677 -2.894 1.00 0.00 O ATOM 63 CB CYS A 103 8.708 -6.377 -5.064 1.00 0.00 C ATOM 64 SG CYS A 103 7.046 -6.019 -5.718 1.00 0.00 S ATOM 0 H CYS A 103 8.730 -4.472 -2.976 1.00 0.00 H new ATOM 0 HA CYS A 103 8.204 -7.369 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.391 -5.591 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.066 -7.309 -5.502 1.00 0.00 H new ATOM 69 N TYR A 104 10.638 -7.907 -2.921 1.00 0.00 N ATOM 70 CA TYR A 104 11.999 -8.203 -2.490 1.00 0.00 C ATOM 71 C TYR A 104 12.992 -7.968 -3.623 1.00 0.00 C ATOM 72 O TYR A 104 13.486 -8.913 -4.239 1.00 0.00 O ATOM 73 CB TYR A 104 12.098 -9.649 -2.001 1.00 0.00 C ATOM 74 CG TYR A 104 11.836 -9.807 -0.520 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.741 -9.330 0.420 1.00 0.00 C ATOM 76 CD2 TYR A 104 10.685 -10.435 -0.061 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.506 -9.473 1.774 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.441 -10.581 1.291 1.00 0.00 C ATOM 79 CZ TYR A 104 11.355 -10.098 2.204 1.00 0.00 C ATOM 80 OH TYR A 104 11.117 -10.243 3.552 1.00 0.00 O ATOM 0 H TYR A 104 10.057 -8.730 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 104 12.248 -7.531 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.385 -10.260 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.092 -10.033 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.643 -8.839 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.968 -10.816 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.220 -9.097 2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.540 -11.070 1.631 1.00 0.00 H new ATOM 0 HH TYR A 104 10.262 -10.704 3.686 1.00 0.00 H new ATOM 90 N THR A 105 13.283 -6.699 -3.893 1.00 0.00 N ATOM 91 CA THR A 105 14.217 -6.337 -4.952 1.00 0.00 C ATOM 92 C THR A 105 15.561 -5.906 -4.375 1.00 0.00 C ATOM 93 O THR A 105 15.628 -5.012 -3.531 1.00 0.00 O ATOM 94 CB THR A 105 13.659 -5.201 -5.829 1.00 0.00 C ATOM 95 OG1 THR A 105 13.834 -3.942 -5.171 1.00 0.00 O ATOM 96 CG2 THR A 105 12.184 -5.423 -6.127 1.00 0.00 C ATOM 0 H THR A 105 12.885 -5.904 -3.392 1.00 0.00 H new ATOM 0 HA THR A 105 14.357 -7.225 -5.568 1.00 0.00 H new ATOM 0 HB THR A 105 14.207 -5.196 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.478 -3.225 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.812 -4.608 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.058 -6.368 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.624 -5.452 -5.192 1.00 0.00 H new ATOM 104 N CYS A 106 16.630 -6.545 -4.837 1.00 0.00 N ATOM 105 CA CYS A 106 17.973 -6.227 -4.368 1.00 0.00 C ATOM 106 C CYS A 106 18.541 -5.025 -5.118 1.00 0.00 C ATOM 107 O CYS A 106 18.169 -4.760 -6.261 1.00 0.00 O ATOM 108 CB CYS A 106 18.897 -7.434 -4.545 1.00 0.00 C ATOM 109 SG CYS A 106 18.975 -8.067 -6.251 1.00 0.00 S ATOM 0 H CYS A 106 16.592 -7.287 -5.536 1.00 0.00 H new ATOM 0 HA CYS A 106 17.911 -5.977 -3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.902 -7.159 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 106 18.561 -8.235 -3.887 1.00 0.00 H new ATOM 0 HG CYS A 106 19.782 -9.085 -6.300 1.00 0.00 H new ATOM 276 N ILE A 118 13.757 -5.736 0.912 1.00 0.00 N ATOM 277 CA ILE A 118 12.437 -5.121 0.857 1.00 0.00 C ATOM 278 C ILE A 118 12.496 -3.749 0.193 1.00 0.00 C ATOM 279 O ILE A 118 13.119 -2.822 0.712 1.00 0.00 O ATOM 280 CB ILE A 118 11.826 -4.972 2.263 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.731 -6.336 2.949 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.455 -4.319 2.179 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.140 -6.274 4.340 1.00 0.00 C ATOM 0 HA ILE A 118 11.806 -5.782 0.263 1.00 0.00 H new ATOM 0 HB ILE A 118 12.476 -4.331 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.124 -7.001 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.727 -6.775 3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.037 -4.221 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.549 -3.332 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.795 -4.936 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.103 -7.277 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.759 -5.635 4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.131 -5.865 4.289 1.00 0.00 H new ATOM 295 N THR A 119 11.842 -3.626 -0.958 1.00 0.00 N ATOM 296 CA THR A 119 11.820 -2.368 -1.693 1.00 0.00 C ATOM 297 C THR A 119 10.392 -1.952 -2.028 1.00 0.00 C ATOM 298 O THR A 119 9.532 -2.797 -2.277 1.00 0.00 O ATOM 299 CB THR A 119 12.634 -2.465 -2.997 1.00 0.00 C ATOM 300 OG1 THR A 119 14.021 -2.656 -2.696 1.00 0.00 O ATOM 301 CG2 THR A 119 12.460 -1.209 -3.838 1.00 0.00 C ATOM 0 H THR A 119 11.321 -4.383 -1.401 1.00 0.00 H new ATOM 0 HA THR A 119 12.272 -1.616 -1.046 1.00 0.00 H new ATOM 0 HB THR A 119 12.266 -3.318 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.418 -3.264 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.044 -1.300 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.407 -1.083 -4.090 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.804 -0.342 -3.273 1.00 0.00 H new ATOM 309 N ARG A 120 10.147 -0.646 -2.034 1.00 0.00 N ATOM 310 CA ARG A 120 8.822 -0.119 -2.339 1.00 0.00 C ATOM 311 C ARG A 120 8.662 0.116 -3.838 1.00 0.00 C ATOM 312 O ARG A 120 9.428 0.865 -4.445 1.00 0.00 O ATOM 313 CB ARG A 120 8.583 1.187 -1.579 1.00 0.00 C ATOM 314 CG ARG A 120 9.274 1.240 -0.226 1.00 0.00 C ATOM 315 CD ARG A 120 8.484 2.074 0.771 1.00 0.00 C ATOM 316 NE ARG A 120 8.847 3.487 0.711 1.00 0.00 N ATOM 317 CZ ARG A 120 8.127 4.455 1.266 1.00 0.00 C ATOM 318 NH1 ARG A 120 7.011 4.164 1.920 1.00 0.00 N ATOM 319 NH2 ARG A 120 8.523 5.718 1.169 1.00 0.00 N ATOM 0 H ARG A 120 10.848 0.067 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 120 8.084 -0.856 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.931 2.021 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.511 1.323 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.397 0.228 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.273 1.660 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.418 1.965 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.660 1.697 1.779 1.00 0.00 H new ATOM 0 HE ARG A 120 9.701 3.745 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.704 3.195 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.460 4.910 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.381 5.946 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.969 6.460 1.596 1.00 0.00 H new ATOM 333 N CYS A 121 7.662 -0.529 -4.429 1.00 0.00 N ATOM 334 CA CYS A 121 7.401 -0.393 -5.857 1.00 0.00 C ATOM 335 C CYS A 121 6.635 0.894 -6.149 1.00 0.00 C ATOM 336 O CYS A 121 6.403 1.709 -5.255 1.00 0.00 O ATOM 337 CB CYS A 121 6.611 -1.598 -6.370 1.00 0.00 C ATOM 338 SG CYS A 121 7.531 -3.169 -6.314 1.00 0.00 S ATOM 0 H CYS A 121 7.018 -1.152 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 121 8.360 -0.350 -6.374 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.701 -1.701 -5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.303 -1.406 -7.398 1.00 0.00 H new ATOM 343 N LYS A 122 6.243 1.070 -7.406 1.00 0.00 N ATOM 344 CA LYS A 122 5.502 2.256 -7.818 1.00 0.00 C ATOM 345 C LYS A 122 4.006 2.071 -7.585 1.00 0.00 C ATOM 346 O LYS A 122 3.511 0.954 -7.427 1.00 0.00 O ATOM 347 CB LYS A 122 5.764 2.560 -9.295 1.00 0.00 C ATOM 348 CG LYS A 122 7.137 2.118 -9.772 1.00 0.00 C ATOM 349 CD LYS A 122 8.245 2.754 -8.950 1.00 0.00 C ATOM 350 CE LYS A 122 9.109 1.702 -8.271 1.00 0.00 C ATOM 351 NZ LYS A 122 10.364 1.442 -9.028 1.00 0.00 N ATOM 0 H LYS A 122 6.426 0.406 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 122 5.846 3.096 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.002 2.067 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.658 3.632 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.213 1.033 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.262 2.385 -10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.866 3.376 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.810 3.410 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.355 2.031 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.544 0.775 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.925 0.720 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.130 1.104 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 10.916 2.321 -9.098 1.00 0.00 H new ATOM 365 N PRO A 123 3.266 3.190 -7.563 1.00 0.00 N ATOM 366 CA PRO A 123 1.815 3.175 -7.351 1.00 0.00 C ATOM 367 C PRO A 123 1.062 2.584 -8.538 1.00 0.00 C ATOM 368 O PRO A 123 0.000 1.986 -8.374 1.00 0.00 O ATOM 369 CB PRO A 123 1.467 4.656 -7.181 1.00 0.00 C ATOM 370 CG PRO A 123 2.546 5.385 -7.907 1.00 0.00 C ATOM 371 CD PRO A 123 3.789 4.554 -7.743 1.00 0.00 C ATOM 0 HA PRO A 123 1.534 2.556 -6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.486 4.883 -7.599 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.438 4.938 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.294 5.507 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.687 6.384 -7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.437 4.624 -8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.377 4.876 -6.883 1.00 0.00 H new ATOM 379 N GLU A 124 1.621 2.755 -9.732 1.00 0.00 N ATOM 380 CA GLU A 124 1.000 2.238 -10.946 1.00 0.00 C ATOM 381 C GLU A 124 1.155 0.722 -11.033 1.00 0.00 C ATOM 382 O GLU A 124 0.338 0.038 -11.649 1.00 0.00 O ATOM 383 CB GLU A 124 1.618 2.896 -12.182 1.00 0.00 C ATOM 384 CG GLU A 124 3.136 2.831 -12.211 1.00 0.00 C ATOM 385 CD GLU A 124 3.777 4.205 -12.251 1.00 0.00 C ATOM 386 OE1 GLU A 124 3.240 5.130 -11.607 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.817 4.354 -12.926 1.00 0.00 O ATOM 0 H GLU A 124 2.501 3.247 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.063 2.476 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.225 2.412 -13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.307 3.940 -12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.490 2.294 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.455 2.260 -13.083 1.00 0.00 H new ATOM 394 N ASP A 125 2.209 0.205 -10.412 1.00 0.00 N ATOM 395 CA ASP A 125 2.472 -1.230 -10.417 1.00 0.00 C ATOM 396 C ASP A 125 1.647 -1.937 -9.347 1.00 0.00 C ATOM 397 O ASP A 125 1.296 -1.346 -8.325 1.00 0.00 O ATOM 398 CB ASP A 125 3.961 -1.498 -10.192 1.00 0.00 C ATOM 399 CG ASP A 125 4.748 -1.517 -11.488 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.335 -0.826 -12.443 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.777 -2.222 -11.546 1.00 0.00 O ATOM 0 H ASP A 125 2.896 0.758 -9.899 1.00 0.00 H new ATOM 0 HA ASP A 125 2.184 -1.624 -11.391 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.370 -0.732 -9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.082 -2.454 -9.683 1.00 0.00 H new ATOM 406 N THR A 126 1.340 -3.208 -9.587 1.00 0.00 N ATOM 407 CA THR A 126 0.555 -3.996 -8.645 1.00 0.00 C ATOM 408 C THR A 126 0.995 -5.456 -8.650 1.00 0.00 C ATOM 409 O THR A 126 0.290 -6.328 -8.142 1.00 0.00 O ATOM 410 CB THR A 126 -0.949 -3.924 -8.969 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.230 -4.664 -10.162 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.396 -2.480 -9.144 1.00 0.00 C ATOM 0 H THR A 126 1.623 -3.714 -10.426 1.00 0.00 H new ATOM 0 HA THR A 126 0.727 -3.570 -7.656 1.00 0.00 H new ATOM 0 HB THR A 126 -1.499 -4.360 -8.135 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.189 -4.614 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.462 -2.454 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.208 -1.927 -8.224 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.839 -2.023 -9.962 1.00 0.00 H new ATOM 420 N ALA A 127 2.164 -5.716 -9.226 1.00 0.00 N ATOM 421 CA ALA A 127 2.698 -7.070 -9.294 1.00 0.00 C ATOM 422 C ALA A 127 4.223 -7.058 -9.310 1.00 0.00 C ATOM 423 O ALA A 127 4.841 -6.131 -9.833 1.00 0.00 O ATOM 424 CB ALA A 127 2.160 -7.789 -10.522 1.00 0.00 C ATOM 0 H ALA A 127 2.759 -5.006 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 127 2.374 -7.607 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.567 -8.799 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.072 -7.838 -10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.454 -7.245 -11.420 1.00 0.00 H new ATOM 430 N CYS A 128 4.824 -8.094 -8.734 1.00 0.00 N ATOM 431 CA CYS A 128 6.277 -8.203 -8.681 1.00 0.00 C ATOM 432 C CYS A 128 6.790 -9.163 -9.751 1.00 0.00 C ATOM 433 O CYS A 128 6.075 -10.067 -10.182 1.00 0.00 O ATOM 434 CB CYS A 128 6.724 -8.678 -7.297 1.00 0.00 C ATOM 435 SG CYS A 128 6.023 -7.717 -5.918 1.00 0.00 S ATOM 0 H CYS A 128 4.327 -8.870 -8.297 1.00 0.00 H new ATOM 0 HA CYS A 128 6.698 -7.216 -8.872 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.444 -9.724 -7.176 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.812 -8.631 -7.242 1.00 0.00 H new ATOM 440 N MET A 129 8.033 -8.959 -10.174 1.00 0.00 N ATOM 441 CA MET A 129 8.642 -9.807 -11.193 1.00 0.00 C ATOM 442 C MET A 129 9.991 -10.340 -10.721 1.00 0.00 C ATOM 443 O MET A 129 10.754 -9.633 -10.061 1.00 0.00 O ATOM 444 CB MET A 129 8.816 -9.028 -12.498 1.00 0.00 C ATOM 445 CG MET A 129 8.496 -9.844 -13.740 1.00 0.00 C ATOM 446 SD MET A 129 8.984 -9.011 -15.263 1.00 0.00 S ATOM 447 CE MET A 129 10.499 -9.882 -15.654 1.00 0.00 C ATOM 0 H MET A 129 8.638 -8.215 -9.828 1.00 0.00 H new ATOM 0 HA MET A 129 7.979 -10.654 -11.370 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.172 -8.149 -12.475 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.843 -8.670 -12.563 1.00 0.00 H new ATOM 0 HG2 MET A 129 9.004 -10.807 -13.678 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.426 -10.049 -13.769 1.00 0.00 H new ATOM 0 HE1 MET A 129 11.222 -9.184 -16.076 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.909 -10.324 -14.746 1.00 0.00 H new ATOM 0 HE3 MET A 129 10.290 -10.669 -16.379 1.00 0.00 H new ATOM 457 N THR A 130 10.280 -11.592 -11.062 1.00 0.00 N ATOM 458 CA THR A 130 11.536 -12.220 -10.672 1.00 0.00 C ATOM 459 C THR A 130 12.175 -12.949 -11.848 1.00 0.00 C ATOM 460 O THR A 130 11.517 -13.722 -12.545 1.00 0.00 O ATOM 461 CB THR A 130 11.330 -13.217 -9.515 1.00 0.00 C ATOM 462 OG1 THR A 130 10.312 -12.737 -8.630 1.00 0.00 O ATOM 463 CG2 THR A 130 12.624 -13.424 -8.743 1.00 0.00 C ATOM 0 H THR A 130 9.661 -12.191 -11.608 1.00 0.00 H new ATOM 0 HA THR A 130 12.199 -11.421 -10.340 1.00 0.00 H new ATOM 0 HB THR A 130 11.021 -14.173 -9.939 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.851 -13.498 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.454 -14.131 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.389 -13.817 -9.413 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.958 -12.472 -8.331 1.00 0.00 H new ATOM 471 N THR A 131 13.462 -12.698 -12.065 1.00 0.00 N ATOM 472 CA THR A 131 14.191 -13.330 -13.157 1.00 0.00 C ATOM 473 C THR A 131 15.072 -14.465 -12.647 1.00 0.00 C ATOM 474 O THR A 131 16.129 -14.228 -12.061 1.00 0.00 O ATOM 475 CB THR A 131 15.068 -12.313 -13.911 1.00 0.00 C ATOM 476 OG1 THR A 131 14.437 -11.027 -13.912 1.00 0.00 O ATOM 477 CG2 THR A 131 15.313 -12.764 -15.342 1.00 0.00 C ATOM 0 H THR A 131 14.021 -12.061 -11.498 1.00 0.00 H new ATOM 0 HA THR A 131 13.445 -13.733 -13.842 1.00 0.00 H new ATOM 0 HB THR A 131 16.028 -12.246 -13.399 1.00 0.00 H new ATOM 0 HG1 THR A 131 15.002 -10.386 -14.392 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.935 -12.029 -15.854 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.820 -13.729 -15.338 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.360 -12.858 -15.862 1.00 0.00 H new ATOM 747 N ARG A 149 15.069 -9.487 -9.392 1.00 0.00 N ATOM 748 CA ARG A 149 13.670 -9.238 -9.065 1.00 0.00 C ATOM 749 C ARG A 149 13.356 -7.746 -9.120 1.00 0.00 C ATOM 750 O ARG A 149 14.017 -6.938 -8.469 1.00 0.00 O ATOM 751 CB ARG A 149 13.344 -9.788 -7.675 1.00 0.00 C ATOM 752 CG ARG A 149 11.914 -10.282 -7.536 1.00 0.00 C ATOM 753 CD ARG A 149 11.727 -11.095 -6.265 1.00 0.00 C ATOM 754 NE ARG A 149 10.369 -11.620 -6.145 1.00 0.00 N ATOM 755 CZ ARG A 149 9.350 -10.918 -5.660 1.00 0.00 C ATOM 756 NH1 ARG A 149 9.535 -9.670 -5.253 1.00 0.00 N ATOM 757 NH2 ARG A 149 8.144 -11.464 -5.583 1.00 0.00 N ATOM 0 HA ARG A 149 13.053 -9.749 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.026 -10.607 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.524 -9.009 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.233 -9.431 -7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.653 -10.892 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.437 -11.922 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.952 -10.472 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 149 10.193 -12.577 -6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 149 10.461 -9.246 -5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 149 8.751 -9.133 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 149 7.998 -12.424 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 149 7.363 -10.924 -5.211 1.00 0.00 H new ATOM 771 N SER A 150 12.343 -7.389 -9.903 1.00 0.00 N ATOM 772 CA SER A 150 11.944 -5.994 -10.047 1.00 0.00 C ATOM 773 C SER A 150 10.424 -5.866 -10.098 1.00 0.00 C ATOM 774 O SER A 150 9.716 -6.839 -10.357 1.00 0.00 O ATOM 775 CB SER A 150 12.560 -5.393 -11.312 1.00 0.00 C ATOM 776 OG SER A 150 12.506 -6.310 -12.391 1.00 0.00 O ATOM 0 H SER A 150 11.784 -8.046 -10.447 1.00 0.00 H new ATOM 0 HA SER A 150 12.309 -5.446 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.029 -4.480 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.596 -5.115 -11.119 1.00 0.00 H new ATOM 0 HG SER A 150 12.904 -5.901 -13.188 1.00 0.00 H new ATOM 782 N CYS A 151 9.930 -4.658 -9.848 1.00 0.00 N ATOM 783 CA CYS A 151 8.495 -4.401 -9.864 1.00 0.00 C ATOM 784 C CYS A 151 7.943 -4.483 -11.284 1.00 0.00 C ATOM 785 O CYS A 151 8.669 -4.276 -12.256 1.00 0.00 O ATOM 786 CB CYS A 151 8.196 -3.023 -9.268 1.00 0.00 C ATOM 787 SG CYS A 151 9.065 -2.686 -7.702 1.00 0.00 S ATOM 0 H CYS A 151 10.502 -3.842 -9.632 1.00 0.00 H new ATOM 0 HA CYS A 151 8.008 -5.166 -9.259 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.469 -2.258 -9.995 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.122 -2.936 -9.101 1.00 0.00 H new ATOM 792 N SER A 152 6.654 -4.787 -11.395 1.00 0.00 N ATOM 793 CA SER A 152 6.005 -4.900 -12.696 1.00 0.00 C ATOM 794 C SER A 152 4.538 -4.491 -12.609 1.00 0.00 C ATOM 795 O SER A 152 3.965 -4.421 -11.522 1.00 0.00 O ATOM 796 CB SER A 152 6.116 -6.333 -13.222 1.00 0.00 C ATOM 797 OG SER A 152 5.549 -6.447 -14.516 1.00 0.00 O ATOM 0 H SER A 152 6.039 -4.959 -10.600 1.00 0.00 H new ATOM 0 HA SER A 152 6.512 -4.226 -13.387 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.164 -6.632 -13.253 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.610 -7.015 -12.538 1.00 0.00 H new ATOM 0 HG SER A 152 5.634 -7.371 -14.830 1.00 0.00 H new ATOM 803 N SER A 153 3.936 -4.221 -13.763 1.00 0.00 N ATOM 804 CA SER A 153 2.536 -3.815 -13.818 1.00 0.00 C ATOM 805 C SER A 153 1.714 -4.810 -14.631 1.00 0.00 C ATOM 806 O SER A 153 0.558 -4.549 -14.966 1.00 0.00 O ATOM 807 CB SER A 153 2.413 -2.416 -14.426 1.00 0.00 C ATOM 808 OG SER A 153 3.326 -2.243 -15.496 1.00 0.00 O ATOM 0 H SER A 153 4.395 -4.276 -14.672 1.00 0.00 H new ATOM 0 HA SER A 153 2.148 -3.796 -12.800 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.395 -2.260 -14.783 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.600 -1.665 -13.659 1.00 0.00 H new ATOM 0 HG SER A 153 3.226 -1.342 -15.869 1.00 0.00 H new ATOM 814 N SER A 154 2.318 -5.951 -14.945 1.00 0.00 N ATOM 815 CA SER A 154 1.644 -6.984 -15.723 1.00 0.00 C ATOM 816 C SER A 154 2.351 -8.328 -15.568 1.00 0.00 C ATOM 817 O SER A 154 3.231 -8.674 -16.356 1.00 0.00 O ATOM 818 CB SER A 154 1.593 -6.589 -17.200 1.00 0.00 C ATOM 819 OG SER A 154 2.773 -5.907 -17.587 1.00 0.00 O ATOM 0 H SER A 154 3.273 -6.184 -14.673 1.00 0.00 H new ATOM 0 HA SER A 154 0.626 -7.082 -15.346 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.467 -7.481 -17.814 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.726 -5.953 -17.380 1.00 0.00 H new ATOM 0 HG SER A 154 2.716 -5.667 -18.535 1.00 0.00 H new ATOM 825 N CYS A 155 1.958 -9.081 -14.547 1.00 0.00 N ATOM 826 CA CYS A 155 2.552 -10.387 -14.286 1.00 0.00 C ATOM 827 C CYS A 155 2.169 -11.386 -15.374 1.00 0.00 C ATOM 828 O CYS A 155 0.999 -11.741 -15.521 1.00 0.00 O ATOM 829 CB CYS A 155 2.108 -10.909 -12.919 1.00 0.00 C ATOM 830 SG CYS A 155 2.246 -12.716 -12.732 1.00 0.00 S ATOM 0 H CYS A 155 1.230 -8.809 -13.886 1.00 0.00 H new ATOM 0 HA CYS A 155 3.636 -10.272 -14.288 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.707 -10.428 -12.146 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.072 -10.615 -12.749 1.00 0.00 H new ATOM 1006 N ILE A 169 10.356 -16.703 -15.390 1.00 0.00 N ATOM 1007 CA ILE A 169 9.925 -15.399 -14.901 1.00 0.00 C ATOM 1008 C ILE A 169 8.767 -15.536 -13.918 1.00 0.00 C ATOM 1009 O ILE A 169 7.613 -15.682 -14.319 1.00 0.00 O ATOM 1010 CB ILE A 169 9.496 -14.478 -16.058 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.629 -14.341 -17.077 1.00 0.00 C ATOM 1012 CG2 ILE A 169 9.087 -13.113 -15.525 1.00 0.00 C ATOM 1013 CD1 ILE A 169 10.408 -15.145 -18.339 1.00 0.00 C ATOM 0 HA ILE A 169 10.780 -14.954 -14.392 1.00 0.00 H new ATOM 0 HB ILE A 169 8.636 -14.924 -16.558 1.00 0.00 H new ATOM 0 HG12 ILE A 169 10.744 -13.290 -17.341 1.00 0.00 H new ATOM 0 HG13 ILE A 169 11.564 -14.657 -16.614 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.786 -12.473 -16.355 1.00 0.00 H new ATOM 0 HG22 ILE A 169 8.252 -13.228 -14.834 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.929 -12.659 -15.003 1.00 0.00 H new ATOM 0 HD11 ILE A 169 11.250 -15.000 -19.015 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.323 -16.202 -18.087 1.00 0.00 H new ATOM 0 HD13 ILE A 169 9.491 -14.813 -18.826 1.00 0.00 H new ATOM 1025 N PHE A 170 9.084 -15.485 -12.629 1.00 0.00 N ATOM 1026 CA PHE A 170 8.070 -15.601 -11.587 1.00 0.00 C ATOM 1027 C PHE A 170 7.508 -14.231 -11.219 1.00 0.00 C ATOM 1028 O PHE A 170 8.226 -13.231 -11.225 1.00 0.00 O ATOM 1029 CB PHE A 170 8.659 -16.274 -10.345 1.00 0.00 C ATOM 1030 CG PHE A 170 8.518 -17.769 -10.350 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.501 -18.570 -10.909 1.00 0.00 C ATOM 1032 CD2 PHE A 170 7.402 -18.375 -9.795 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.373 -19.946 -10.915 1.00 0.00 C ATOM 1034 CE2 PHE A 170 7.269 -19.751 -9.798 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.256 -20.537 -10.358 1.00 0.00 C ATOM 0 H PHE A 170 10.035 -15.364 -12.280 1.00 0.00 H new ATOM 0 HA PHE A 170 7.257 -16.215 -11.974 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.716 -16.017 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.169 -15.874 -9.458 1.00 0.00 H new ATOM 0 HD1 PHE A 170 10.377 -18.114 -11.345 1.00 0.00 H new ATOM 0 HD2 PHE A 170 6.627 -17.765 -9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 170 10.146 -20.559 -11.355 1.00 0.00 H new ATOM 0 HE2 PHE A 170 6.394 -20.211 -9.363 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.155 -21.612 -10.361 1.00 0.00 H new ATOM 1045 N CYS A 171 6.219 -14.193 -10.899 1.00 0.00 N ATOM 1046 CA CYS A 171 5.558 -12.948 -10.529 1.00 0.00 C ATOM 1047 C CYS A 171 4.403 -13.209 -9.567 1.00 0.00 C ATOM 1048 O CYS A 171 3.920 -14.336 -9.451 1.00 0.00 O ATOM 1049 CB CYS A 171 5.044 -12.228 -11.778 1.00 0.00 C ATOM 1050 SG CYS A 171 4.121 -13.300 -12.926 1.00 0.00 S ATOM 0 H CYS A 171 5.611 -15.012 -10.889 1.00 0.00 H new ATOM 0 HA CYS A 171 6.289 -12.314 -10.027 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.401 -11.404 -11.470 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.891 -11.791 -12.307 1.00 0.00 H new ATOM 1055 N CYS A 172 3.965 -12.160 -8.879 1.00 0.00 N ATOM 1056 CA CYS A 172 2.867 -12.275 -7.927 1.00 0.00 C ATOM 1057 C CYS A 172 2.081 -10.969 -7.843 1.00 0.00 C ATOM 1058 O CYS A 172 2.353 -10.020 -8.578 1.00 0.00 O ATOM 1059 CB CYS A 172 3.401 -12.651 -6.543 1.00 0.00 C ATOM 1060 SG CYS A 172 4.875 -11.709 -6.034 1.00 0.00 S ATOM 0 H CYS A 172 4.354 -11.221 -8.963 1.00 0.00 H new ATOM 0 HA CYS A 172 2.197 -13.061 -8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.612 -12.497 -5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.641 -13.714 -6.535 1.00 0.00 H new ATOM 1065 N PHE A 173 1.106 -10.929 -6.941 1.00 0.00 N ATOM 1066 CA PHE A 173 0.280 -9.741 -6.761 1.00 0.00 C ATOM 1067 C PHE A 173 0.108 -9.417 -5.280 1.00 0.00 C ATOM 1068 O PHE A 173 -0.913 -8.867 -4.868 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.090 -9.942 -7.413 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.067 -9.816 -8.909 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -1.213 -8.578 -9.515 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.899 -10.934 -9.710 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.191 -8.458 -10.892 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -0.876 -10.820 -11.087 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.024 -9.580 -11.679 1.00 0.00 C ATOM 0 H PHE A 173 0.869 -11.705 -6.324 1.00 0.00 H new ATOM 0 HA PHE A 173 0.784 -8.903 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.469 -10.928 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.788 -9.211 -7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.345 -7.697 -8.904 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.785 -11.906 -9.253 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.304 -7.487 -11.352 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.742 -11.699 -11.700 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.009 -9.489 -12.755 1.00 0.00 H new ATOM 1085 N ARG A 174 1.115 -9.764 -4.484 1.00 0.00 N ATOM 1086 CA ARG A 174 1.075 -9.513 -3.049 1.00 0.00 C ATOM 1087 C ARG A 174 2.430 -9.023 -2.545 1.00 0.00 C ATOM 1088 O ARG A 174 3.476 -9.507 -2.978 1.00 0.00 O ATOM 1089 CB ARG A 174 0.668 -10.782 -2.298 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.807 -11.121 -2.431 1.00 0.00 C ATOM 1091 CD ARG A 174 -1.018 -12.374 -3.267 1.00 0.00 C ATOM 1092 NE ARG A 174 -2.192 -13.129 -2.836 1.00 0.00 N ATOM 1093 CZ ARG A 174 -2.621 -14.229 -3.443 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -1.978 -14.700 -4.502 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -3.697 -14.860 -2.991 1.00 0.00 N ATOM 0 H ARG A 174 1.968 -10.219 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 174 0.334 -8.736 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.259 -11.619 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 174 0.911 -10.663 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.239 -11.266 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.334 -10.284 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -1.131 -12.096 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.134 -13.008 -3.199 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.710 -12.793 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.151 -14.217 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.310 -15.545 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -4.195 -14.500 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -4.026 -15.705 -3.458 1.00 0.00 H new ATOM 1109 N ASP A 175 2.403 -8.062 -1.629 1.00 0.00 N ATOM 1110 CA ASP A 175 3.628 -7.507 -1.066 1.00 0.00 C ATOM 1111 C ASP A 175 4.497 -8.607 -0.465 1.00 0.00 C ATOM 1112 O ASP A 175 4.055 -9.354 0.409 1.00 0.00 O ATOM 1113 CB ASP A 175 3.297 -6.462 0.000 1.00 0.00 C ATOM 1114 CG ASP A 175 2.324 -5.413 -0.499 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.162 -5.771 -0.786 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.723 -4.234 -0.605 1.00 0.00 O ATOM 0 H ASP A 175 1.546 -7.651 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 175 4.185 -7.029 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 175 2.874 -6.959 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.216 -5.975 0.325 1.00 0.00 H new ATOM 1121 N LEU A 176 5.734 -8.703 -0.940 1.00 0.00 N ATOM 1122 CA LEU A 176 6.665 -9.714 -0.451 1.00 0.00 C ATOM 1123 C LEU A 176 6.049 -11.107 -0.531 1.00 0.00 C ATOM 1124 O LEU A 176 6.220 -11.926 0.372 1.00 0.00 O ATOM 1125 CB LEU A 176 7.071 -9.406 0.991 1.00 0.00 C ATOM 1126 CG LEU A 176 7.464 -7.957 1.283 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.015 -7.828 2.695 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.482 -7.465 0.265 1.00 0.00 C ATOM 0 H LEU A 176 6.115 -8.093 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 176 7.552 -9.692 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.243 -9.676 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 176 7.910 -10.049 1.256 1.00 0.00 H new ATOM 0 HG LEU A 176 6.572 -7.336 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.289 -6.790 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.255 -8.140 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.896 -8.461 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.750 -6.432 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.374 -8.090 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.052 -7.520 -0.735 1.00 0.00 H new ATOM 1140 N CYS A 177 5.334 -11.370 -1.620 1.00 0.00 N ATOM 1141 CA CYS A 177 4.694 -12.664 -1.821 1.00 0.00 C ATOM 1142 C CYS A 177 5.664 -13.803 -1.521 1.00 0.00 C ATOM 1143 O CYS A 177 5.253 -14.896 -1.133 1.00 0.00 O ATOM 1144 CB CYS A 177 4.177 -12.784 -3.256 1.00 0.00 C ATOM 1145 SG CYS A 177 5.482 -13.075 -4.494 1.00 0.00 S ATOM 0 H CYS A 177 5.183 -10.703 -2.377 1.00 0.00 H new ATOM 0 HA CYS A 177 3.852 -12.736 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.457 -13.600 -3.304 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.642 -11.871 -3.516 1.00 0.00 H new