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= -0.0984 USER MOD Set 1.2: A 119 THR OG1 : rot 123:sc= 0.316 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= 0.0744 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 153:sc= 0 (180deg=-0.945) USER MOD Single : A 130 THR OG1 : rot 76:sc= 0.0127 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 25:sc= 0.0451 USER MOD Single : A 152 SER OG : rot 180:sc= 0.056 USER MOD Single : A 153 SER OG : rot 180:sc=0.000962 USER MOD Single : A 154 SER OG : rot 54:sc= 0.00203 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.627 -1.634 -3.011 1.00 0.00 N ATOM 19 CA LEU A 101 3.186 -2.920 -3.414 1.00 0.00 C ATOM 20 C LEU A 101 4.688 -2.968 -3.151 1.00 0.00 C ATOM 21 O LEU A 101 5.438 -2.109 -3.616 1.00 0.00 O ATOM 22 CB LEU A 101 2.908 -3.178 -4.896 1.00 0.00 C ATOM 23 CG LEU A 101 2.702 -4.639 -5.296 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.046 -4.844 -6.763 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.540 -5.556 -4.417 1.00 0.00 C ATOM 0 HA LEU A 101 2.707 -3.698 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.019 -2.615 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.739 -2.777 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 101 1.651 -4.891 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.893 -5.890 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.403 -4.215 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.088 -4.574 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.381 -6.592 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.594 -5.304 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.246 -5.430 -3.375 1.00 0.00 H new ATOM 37 N LYS A 102 5.121 -3.978 -2.405 1.00 0.00 N ATOM 38 CA LYS A 102 6.533 -4.142 -2.082 1.00 0.00 C ATOM 39 C LYS A 102 7.050 -5.491 -2.570 1.00 0.00 C ATOM 40 O LYS A 102 6.381 -6.514 -2.422 1.00 0.00 O ATOM 41 CB LYS A 102 6.751 -4.016 -0.573 1.00 0.00 C ATOM 42 CG LYS A 102 6.213 -2.722 0.014 1.00 0.00 C ATOM 43 CD LYS A 102 6.699 -2.510 1.438 1.00 0.00 C ATOM 44 CE LYS A 102 5.613 -2.835 2.452 1.00 0.00 C ATOM 45 NZ LYS A 102 6.174 -3.055 3.814 1.00 0.00 N ATOM 0 H LYS A 102 4.513 -4.697 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 102 7.089 -3.354 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.272 -4.858 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.818 -4.085 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.526 -1.882 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.123 -2.741 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.571 -3.138 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.018 -1.476 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.890 -2.020 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.073 -3.727 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.402 -3.274 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.845 -3.849 3.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.667 -2.195 4.129 1.00 0.00 H new ATOM 59 N CYS A 103 8.245 -5.487 -3.151 1.00 0.00 N ATOM 60 CA CYS A 103 8.853 -6.710 -3.660 1.00 0.00 C ATOM 61 C CYS A 103 10.339 -6.762 -3.319 1.00 0.00 C ATOM 62 O CYS A 103 11.014 -5.733 -3.281 1.00 0.00 O ATOM 63 CB CYS A 103 8.662 -6.807 -5.175 1.00 0.00 C ATOM 64 SG CYS A 103 6.998 -6.337 -5.747 1.00 0.00 S ATOM 0 H CYS A 103 8.812 -4.649 -3.281 1.00 0.00 H new ATOM 0 HA CYS A 103 8.359 -7.557 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.397 -6.168 -5.665 1.00 0.00 H new ATOM 0 HB3 CYS A 103 8.868 -7.830 -5.492 1.00 0.00 H new ATOM 69 N TYR A 104 10.842 -7.967 -3.072 1.00 0.00 N ATOM 70 CA TYR A 104 12.247 -8.153 -2.731 1.00 0.00 C ATOM 71 C TYR A 104 13.141 -7.877 -3.936 1.00 0.00 C ATOM 72 O TYR A 104 13.489 -8.787 -4.689 1.00 0.00 O ATOM 73 CB TYR A 104 12.486 -9.575 -2.221 1.00 0.00 C ATOM 74 CG TYR A 104 12.087 -9.775 -0.776 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.799 -9.169 0.251 1.00 0.00 C ATOM 76 CD2 TYR A 104 10.999 -10.571 -0.438 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.440 -9.349 1.573 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.631 -10.755 0.880 1.00 0.00 C ATOM 79 CZ TYR A 104 11.355 -10.142 1.882 1.00 0.00 C ATOM 80 OH TYR A 104 10.992 -10.325 3.197 1.00 0.00 O ATOM 0 H TYR A 104 10.297 -8.829 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 104 12.500 -7.444 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.927 -10.274 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.542 -9.820 -2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.648 -8.546 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.432 -11.054 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.006 -8.872 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.781 -11.375 1.125 1.00 0.00 H new ATOM 0 HH TYR A 104 10.207 -10.910 3.241 1.00 0.00 H new ATOM 90 N THR A 105 13.510 -6.612 -4.113 1.00 0.00 N ATOM 91 CA THR A 105 14.363 -6.213 -5.226 1.00 0.00 C ATOM 92 C THR A 105 15.659 -5.585 -4.728 1.00 0.00 C ATOM 93 O THR A 105 15.640 -4.647 -3.930 1.00 0.00 O ATOM 94 CB THR A 105 13.645 -5.215 -6.154 1.00 0.00 C ATOM 95 OG1 THR A 105 13.789 -3.884 -5.646 1.00 0.00 O ATOM 96 CG2 THR A 105 12.168 -5.558 -6.279 1.00 0.00 C ATOM 0 H THR A 105 13.231 -5.846 -3.500 1.00 0.00 H new ATOM 0 HA THR A 105 14.594 -7.118 -5.788 1.00 0.00 H new ATOM 0 HB THR A 105 14.101 -5.278 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.331 -3.255 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.682 -4.839 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.061 -6.561 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.701 -5.520 -5.295 1.00 0.00 H new ATOM 104 N CYS A 106 16.785 -6.107 -5.203 1.00 0.00 N ATOM 105 CA CYS A 106 18.092 -5.597 -4.806 1.00 0.00 C ATOM 106 C CYS A 106 18.472 -4.372 -5.633 1.00 0.00 C ATOM 107 O CYS A 106 17.935 -4.151 -6.719 1.00 0.00 O ATOM 108 CB CYS A 106 19.157 -6.684 -4.966 1.00 0.00 C ATOM 109 SG CYS A 106 19.191 -7.455 -6.616 1.00 0.00 S ATOM 0 H CYS A 106 16.818 -6.883 -5.864 1.00 0.00 H new ATOM 0 HA CYS A 106 18.037 -5.303 -3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.136 -6.252 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 106 18.986 -7.458 -4.218 1.00 0.00 H new ATOM 0 HG CYS A 106 20.125 -8.359 -6.654 1.00 0.00 H new ATOM 276 N ILE A 118 13.826 -5.534 0.655 1.00 0.00 N ATOM 277 CA ILE A 118 12.476 -4.988 0.583 1.00 0.00 C ATOM 278 C ILE A 118 12.473 -3.611 -0.071 1.00 0.00 C ATOM 279 O ILE A 118 13.089 -2.671 0.432 1.00 0.00 O ATOM 280 CB ILE A 118 11.837 -4.882 1.980 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.791 -6.256 2.651 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.439 -4.289 1.880 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.173 -6.235 4.031 1.00 0.00 C ATOM 0 HA ILE A 118 11.889 -5.677 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 118 12.449 -4.220 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.226 -6.941 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.805 -6.651 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.001 -4.221 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.497 -3.294 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.817 -4.928 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.174 -7.243 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.751 -5.576 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.148 -5.871 3.965 1.00 0.00 H new ATOM 295 N THR A 119 11.775 -3.498 -1.197 1.00 0.00 N ATOM 296 CA THR A 119 11.691 -2.236 -1.920 1.00 0.00 C ATOM 297 C THR A 119 10.246 -1.896 -2.267 1.00 0.00 C ATOM 298 O THR A 119 9.436 -2.784 -2.534 1.00 0.00 O ATOM 299 CB THR A 119 12.522 -2.275 -3.217 1.00 0.00 C ATOM 300 OG1 THR A 119 13.916 -2.361 -2.902 1.00 0.00 O ATOM 301 CG2 THR A 119 12.263 -1.038 -4.063 1.00 0.00 C ATOM 0 H THR A 119 11.260 -4.266 -1.628 1.00 0.00 H new ATOM 0 HA THR A 119 12.095 -1.467 -1.261 1.00 0.00 H new ATOM 0 HB THR A 119 12.224 -3.154 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.297 -3.162 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.861 -1.088 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.206 -0.991 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.537 -0.147 -3.498 1.00 0.00 H new ATOM 309 N ARG A 120 9.929 -0.605 -2.262 1.00 0.00 N ATOM 310 CA ARG A 120 8.581 -0.148 -2.576 1.00 0.00 C ATOM 311 C ARG A 120 8.422 0.090 -4.075 1.00 0.00 C ATOM 312 O ARG A 120 9.165 0.869 -4.673 1.00 0.00 O ATOM 313 CB ARG A 120 8.263 1.137 -1.808 1.00 0.00 C ATOM 314 CG ARG A 120 8.903 1.197 -0.431 1.00 0.00 C ATOM 315 CD ARG A 120 8.025 1.948 0.558 1.00 0.00 C ATOM 316 NE ARG A 120 7.774 1.170 1.768 1.00 0.00 N ATOM 317 CZ ARG A 120 8.688 0.958 2.708 1.00 0.00 C ATOM 318 NH1 ARG A 120 9.907 1.464 2.579 1.00 0.00 N ATOM 319 NH2 ARG A 120 8.383 0.239 3.781 1.00 0.00 N ATOM 0 H ARG A 120 10.588 0.143 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 120 7.881 -0.927 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.599 1.993 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.182 1.229 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.081 0.185 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.875 1.686 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.504 2.890 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.076 2.197 0.084 1.00 0.00 H new ATOM 0 HE ARG A 120 6.846 0.767 1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.145 2.018 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.607 1.299 3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.446 -0.151 3.884 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.085 0.077 4.503 1.00 0.00 H new ATOM 333 N CYS A 121 7.449 -0.587 -4.676 1.00 0.00 N ATOM 334 CA CYS A 121 7.193 -0.451 -6.105 1.00 0.00 C ATOM 335 C CYS A 121 6.419 0.830 -6.399 1.00 0.00 C ATOM 336 O CYS A 121 6.131 1.617 -5.496 1.00 0.00 O ATOM 337 CB CYS A 121 6.412 -1.662 -6.621 1.00 0.00 C ATOM 338 SG CYS A 121 7.347 -3.224 -6.574 1.00 0.00 S ATOM 0 H CYS A 121 6.825 -1.235 -4.196 1.00 0.00 H new ATOM 0 HA CYS A 121 8.153 -0.400 -6.618 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.505 -1.776 -6.027 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.099 -1.469 -7.647 1.00 0.00 H new ATOM 343 N LYS A 122 6.084 1.035 -7.669 1.00 0.00 N ATOM 344 CA LYS A 122 5.342 2.219 -8.084 1.00 0.00 C ATOM 345 C LYS A 122 3.847 2.036 -7.844 1.00 0.00 C ATOM 346 O LYS A 122 3.351 0.921 -7.683 1.00 0.00 O ATOM 347 CB LYS A 122 5.599 2.515 -9.563 1.00 0.00 C ATOM 348 CG LYS A 122 6.990 2.119 -10.029 1.00 0.00 C ATOM 349 CD LYS A 122 8.069 2.766 -9.177 1.00 0.00 C ATOM 350 CE LYS A 122 9.365 2.936 -9.953 1.00 0.00 C ATOM 351 NZ LYS A 122 10.257 3.952 -9.328 1.00 0.00 N ATOM 0 H LYS A 122 6.315 0.395 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 122 5.688 3.062 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.859 1.987 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.454 3.580 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.094 1.035 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.123 2.412 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.723 3.739 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.251 2.155 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.885 1.979 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.139 3.232 -10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.130 4.038 -9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.771 4.871 -9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 10.494 3.657 -8.359 1.00 0.00 H new ATOM 365 N PRO A 123 3.109 3.156 -7.820 1.00 0.00 N ATOM 366 CA PRO A 123 1.660 3.145 -7.602 1.00 0.00 C ATOM 367 C PRO A 123 0.900 2.553 -8.785 1.00 0.00 C ATOM 368 O PRO A 123 -0.174 1.977 -8.618 1.00 0.00 O ATOM 369 CB PRO A 123 1.315 4.627 -7.433 1.00 0.00 C ATOM 370 CG PRO A 123 2.391 5.352 -8.164 1.00 0.00 C ATOM 371 CD PRO A 123 3.633 4.520 -8.005 1.00 0.00 C ATOM 0 HA PRO A 123 1.381 2.528 -6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.333 4.854 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.291 4.910 -6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.134 5.473 -9.216 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.536 6.352 -7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.277 4.588 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.226 4.842 -7.149 1.00 0.00 H new ATOM 379 N GLU A 124 1.466 2.699 -9.979 1.00 0.00 N ATOM 380 CA GLU A 124 0.841 2.179 -11.189 1.00 0.00 C ATOM 381 C GLU A 124 0.985 0.661 -11.266 1.00 0.00 C ATOM 382 O GLU A 124 0.158 -0.021 -11.870 1.00 0.00 O ATOM 383 CB GLU A 124 1.463 2.825 -12.429 1.00 0.00 C ATOM 384 CG GLU A 124 2.979 2.733 -12.468 1.00 0.00 C ATOM 385 CD GLU A 124 3.645 4.095 -12.484 1.00 0.00 C ATOM 386 OE1 GLU A 124 3.170 4.997 -11.763 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.642 4.259 -13.218 1.00 0.00 O ATOM 0 H GLU A 124 2.356 3.173 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.220 2.425 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.055 2.348 -13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.170 3.874 -12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.328 2.172 -11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.283 2.174 -13.353 1.00 0.00 H new ATOM 394 N ASP A 125 2.041 0.141 -10.651 1.00 0.00 N ATOM 395 CA ASP A 125 2.295 -1.295 -10.648 1.00 0.00 C ATOM 396 C ASP A 125 1.463 -1.992 -9.576 1.00 0.00 C ATOM 397 O ASP A 125 1.102 -1.389 -8.565 1.00 0.00 O ATOM 398 CB ASP A 125 3.781 -1.572 -10.418 1.00 0.00 C ATOM 399 CG ASP A 125 4.577 -1.571 -11.709 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.268 -0.747 -12.596 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.508 -2.393 -11.832 1.00 0.00 O ATOM 0 H ASP A 125 2.736 0.693 -10.148 1.00 0.00 H new ATOM 0 HA ASP A 125 2.006 -1.691 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.188 -0.819 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.896 -2.537 -9.925 1.00 0.00 H new ATOM 406 N THR A 126 1.160 -3.266 -9.804 1.00 0.00 N ATOM 407 CA THR A 126 0.369 -4.044 -8.860 1.00 0.00 C ATOM 408 C THR A 126 0.811 -5.503 -8.844 1.00 0.00 C ATOM 409 O THR A 126 0.106 -6.369 -8.326 1.00 0.00 O ATOM 410 CB THR A 126 -1.133 -3.979 -9.197 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.415 -4.795 -10.339 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.564 -2.546 -9.472 1.00 0.00 C ATOM 0 H THR A 126 1.451 -3.781 -10.635 1.00 0.00 H new ATOM 0 HA THR A 126 0.532 -3.606 -7.875 1.00 0.00 H new ATOM 0 HB THR A 126 -1.692 -4.352 -8.339 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.372 -4.749 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.628 -2.525 -9.708 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.375 -1.934 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.998 -2.151 -10.316 1.00 0.00 H new ATOM 420 N ALA A 127 1.982 -5.768 -9.412 1.00 0.00 N ATOM 421 CA ALA A 127 2.520 -7.122 -9.460 1.00 0.00 C ATOM 422 C ALA A 127 4.045 -7.108 -9.458 1.00 0.00 C ATOM 423 O ALA A 127 4.667 -6.139 -9.894 1.00 0.00 O ATOM 424 CB ALA A 127 1.998 -7.853 -10.688 1.00 0.00 C ATOM 0 H ALA A 127 2.577 -5.062 -9.846 1.00 0.00 H new ATOM 0 HA ALA A 127 2.187 -7.651 -8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.407 -8.863 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.910 -7.903 -10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.302 -7.317 -11.587 1.00 0.00 H new ATOM 430 N CYS A 128 4.641 -8.188 -8.964 1.00 0.00 N ATOM 431 CA CYS A 128 6.093 -8.300 -8.903 1.00 0.00 C ATOM 432 C CYS A 128 6.614 -9.222 -10.001 1.00 0.00 C ATOM 433 O CYS A 128 5.871 -10.042 -10.541 1.00 0.00 O ATOM 434 CB CYS A 128 6.528 -8.823 -7.533 1.00 0.00 C ATOM 435 SG CYS A 128 5.862 -7.874 -6.128 1.00 0.00 S ATOM 0 H CYS A 128 4.140 -8.999 -8.600 1.00 0.00 H new ATOM 0 HA CYS A 128 6.516 -7.307 -9.056 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.214 -9.862 -7.437 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.617 -8.812 -7.481 1.00 0.00 H new ATOM 440 N MET A 129 7.895 -9.082 -10.326 1.00 0.00 N ATOM 441 CA MET A 129 8.515 -9.903 -11.359 1.00 0.00 C ATOM 442 C MET A 129 9.880 -10.410 -10.904 1.00 0.00 C ATOM 443 O MET A 129 10.654 -9.674 -10.290 1.00 0.00 O ATOM 444 CB MET A 129 8.661 -9.105 -12.656 1.00 0.00 C ATOM 445 CG MET A 129 8.353 -9.914 -13.906 1.00 0.00 C ATOM 446 SD MET A 129 8.632 -8.982 -15.424 1.00 0.00 S ATOM 447 CE MET A 129 7.958 -10.109 -16.642 1.00 0.00 C ATOM 0 H MET A 129 8.524 -8.408 -9.889 1.00 0.00 H new ATOM 0 HA MET A 129 7.870 -10.762 -11.541 1.00 0.00 H new ATOM 0 HB2 MET A 129 7.996 -8.242 -12.619 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.679 -8.721 -12.724 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.973 -10.810 -13.916 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.315 -10.245 -13.873 1.00 0.00 H new ATOM 0 HE1 MET A 129 7.613 -9.545 -17.508 1.00 0.00 H new ATOM 0 HE2 MET A 129 8.730 -10.814 -16.952 1.00 0.00 H new ATOM 0 HE3 MET A 129 7.121 -10.655 -16.208 1.00 0.00 H new ATOM 457 N THR A 130 10.170 -11.671 -11.208 1.00 0.00 N ATOM 458 CA THR A 130 11.440 -12.276 -10.828 1.00 0.00 C ATOM 459 C THR A 130 12.090 -12.980 -12.014 1.00 0.00 C ATOM 460 O THR A 130 11.403 -13.487 -12.902 1.00 0.00 O ATOM 461 CB THR A 130 11.260 -13.289 -9.681 1.00 0.00 C ATOM 462 OG1 THR A 130 10.300 -12.796 -8.740 1.00 0.00 O ATOM 463 CG2 THR A 130 12.582 -13.549 -8.976 1.00 0.00 C ATOM 0 H THR A 130 9.542 -12.293 -11.717 1.00 0.00 H new ATOM 0 HA THR A 130 12.086 -11.466 -10.490 1.00 0.00 H new ATOM 0 HB THR A 130 10.903 -14.227 -10.106 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.398 -12.902 -9.107 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.430 -14.267 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.302 -13.951 -9.689 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.964 -12.615 -8.563 1.00 0.00 H new ATOM 471 N THR A 131 13.419 -13.008 -12.024 1.00 0.00 N ATOM 472 CA THR A 131 14.162 -13.649 -13.101 1.00 0.00 C ATOM 473 C THR A 131 15.171 -14.652 -12.553 1.00 0.00 C ATOM 474 O THR A 131 16.118 -14.279 -11.858 1.00 0.00 O ATOM 475 CB THR A 131 14.904 -12.613 -13.966 1.00 0.00 C ATOM 476 OG1 THR A 131 14.173 -11.382 -13.991 1.00 0.00 O ATOM 477 CG2 THR A 131 15.091 -13.127 -15.386 1.00 0.00 C ATOM 0 H THR A 131 14.003 -12.594 -11.298 1.00 0.00 H new ATOM 0 HA THR A 131 13.433 -14.172 -13.719 1.00 0.00 H new ATOM 0 HB THR A 131 15.887 -12.443 -13.526 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.652 -10.728 -14.542 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.617 -12.378 -15.978 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.673 -14.048 -15.366 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.117 -13.323 -15.833 1.00 0.00 H new ATOM 747 N ARG A 149 14.946 -9.448 -9.341 1.00 0.00 N ATOM 748 CA ARG A 149 13.526 -9.196 -9.126 1.00 0.00 C ATOM 749 C ARG A 149 13.205 -7.714 -9.301 1.00 0.00 C ATOM 750 O ARG A 149 13.917 -6.850 -8.790 1.00 0.00 O ATOM 751 CB ARG A 149 13.110 -9.657 -7.728 1.00 0.00 C ATOM 752 CG ARG A 149 11.673 -10.145 -7.650 1.00 0.00 C ATOM 753 CD ARG A 149 11.343 -10.688 -6.269 1.00 0.00 C ATOM 754 NE ARG A 149 11.482 -12.140 -6.204 1.00 0.00 N ATOM 755 CZ ARG A 149 12.608 -12.756 -5.860 1.00 0.00 C ATOM 756 NH1 ARG A 149 13.686 -12.049 -5.552 1.00 0.00 N ATOM 757 NH2 ARG A 149 12.656 -14.081 -5.824 1.00 0.00 N ATOM 0 HA ARG A 149 12.965 -9.763 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.775 -10.459 -7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.243 -8.832 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 149 10.996 -9.326 -7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.511 -10.923 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.001 -10.228 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.323 -10.409 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 149 10.670 -12.713 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 149 13.652 -11.030 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.549 -12.524 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 149 11.828 -14.628 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 149 13.521 -14.553 -5.560 1.00 0.00 H new ATOM 771 N SER A 150 12.129 -7.429 -10.027 1.00 0.00 N ATOM 772 CA SER A 150 11.716 -6.052 -10.273 1.00 0.00 C ATOM 773 C SER A 150 10.195 -5.944 -10.331 1.00 0.00 C ATOM 774 O SER A 150 9.499 -6.928 -10.582 1.00 0.00 O ATOM 775 CB SER A 150 12.325 -5.540 -11.580 1.00 0.00 C ATOM 776 OG SER A 150 13.623 -5.014 -11.366 1.00 0.00 O ATOM 0 H SER A 150 11.527 -8.133 -10.455 1.00 0.00 H new ATOM 0 HA SER A 150 12.076 -5.438 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.373 -6.352 -12.305 1.00 0.00 H new ATOM 0 HB3 SER A 150 11.683 -4.770 -12.007 1.00 0.00 H new ATOM 0 HG SER A 150 14.014 -5.423 -10.566 1.00 0.00 H new ATOM 782 N CYS A 151 9.685 -4.739 -10.096 1.00 0.00 N ATOM 783 CA CYS A 151 8.247 -4.499 -10.121 1.00 0.00 C ATOM 784 C CYS A 151 7.702 -4.602 -11.542 1.00 0.00 C ATOM 785 O CYS A 151 8.419 -4.355 -12.512 1.00 0.00 O ATOM 786 CB CYS A 151 7.929 -3.120 -9.539 1.00 0.00 C ATOM 787 SG CYS A 151 8.806 -2.748 -7.987 1.00 0.00 S ATOM 0 H CYS A 151 10.247 -3.914 -9.886 1.00 0.00 H new ATOM 0 HA CYS A 151 7.766 -5.263 -9.511 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.181 -2.359 -10.278 1.00 0.00 H new ATOM 0 HB3 CYS A 151 6.856 -3.050 -9.363 1.00 0.00 H new ATOM 792 N SER A 152 6.430 -4.968 -11.658 1.00 0.00 N ATOM 793 CA SER A 152 5.789 -5.107 -12.960 1.00 0.00 C ATOM 794 C SER A 152 4.320 -4.703 -12.889 1.00 0.00 C ATOM 795 O SER A 152 3.666 -4.875 -11.860 1.00 0.00 O ATOM 796 CB SER A 152 5.910 -6.548 -13.461 1.00 0.00 C ATOM 797 OG SER A 152 5.269 -6.708 -14.714 1.00 0.00 O ATOM 0 H SER A 152 5.822 -5.174 -10.865 1.00 0.00 H new ATOM 0 HA SER A 152 6.297 -4.443 -13.659 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.962 -6.818 -13.550 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.467 -7.228 -12.733 1.00 0.00 H new ATOM 0 HG SER A 152 5.362 -7.637 -15.013 1.00 0.00 H new ATOM 803 N SER A 153 3.806 -4.165 -13.990 1.00 0.00 N ATOM 804 CA SER A 153 2.415 -3.732 -14.053 1.00 0.00 C ATOM 805 C SER A 153 1.567 -4.739 -14.824 1.00 0.00 C ATOM 806 O SER A 153 0.434 -4.449 -15.207 1.00 0.00 O ATOM 807 CB SER A 153 2.316 -2.355 -14.711 1.00 0.00 C ATOM 808 OG SER A 153 3.077 -2.305 -15.905 1.00 0.00 O ATOM 0 H SER A 153 4.332 -4.018 -14.851 1.00 0.00 H new ATOM 0 HA SER A 153 2.034 -3.667 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.273 -2.128 -14.931 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.669 -1.591 -14.018 1.00 0.00 H new ATOM 0 HG SER A 153 2.996 -1.415 -16.308 1.00 0.00 H new ATOM 814 N SER A 154 2.126 -5.925 -15.049 1.00 0.00 N ATOM 815 CA SER A 154 1.424 -6.975 -15.777 1.00 0.00 C ATOM 816 C SER A 154 2.179 -8.297 -15.686 1.00 0.00 C ATOM 817 O SER A 154 3.069 -8.574 -16.491 1.00 0.00 O ATOM 818 CB SER A 154 1.246 -6.575 -17.244 1.00 0.00 C ATOM 819 OG SER A 154 2.396 -5.907 -17.733 1.00 0.00 O ATOM 0 H SER A 154 3.063 -6.182 -14.737 1.00 0.00 H new ATOM 0 HA SER A 154 0.442 -7.106 -15.322 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.054 -7.463 -17.846 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.375 -5.927 -17.345 1.00 0.00 H new ATOM 0 HG SER A 154 3.188 -6.463 -17.578 1.00 0.00 H new ATOM 825 N CYS A 155 1.817 -9.111 -14.700 1.00 0.00 N ATOM 826 CA CYS A 155 2.459 -10.405 -14.502 1.00 0.00 C ATOM 827 C CYS A 155 2.110 -11.365 -15.635 1.00 0.00 C ATOM 828 O CYS A 155 0.989 -11.866 -15.716 1.00 0.00 O ATOM 829 CB CYS A 155 2.036 -11.007 -13.160 1.00 0.00 C ATOM 830 SG CYS A 155 2.229 -12.816 -13.064 1.00 0.00 S ATOM 0 H CYS A 155 1.082 -8.897 -14.026 1.00 0.00 H new ATOM 0 HA CYS A 155 3.538 -10.251 -14.500 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.624 -10.547 -12.366 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.993 -10.753 -12.972 1.00 0.00 H new ATOM 1006 N ILE A 169 10.445 -16.962 -15.166 1.00 0.00 N ATOM 1007 CA ILE A 169 9.845 -15.709 -14.728 1.00 0.00 C ATOM 1008 C ILE A 169 8.778 -15.952 -13.666 1.00 0.00 C ATOM 1009 O ILE A 169 7.731 -16.536 -13.945 1.00 0.00 O ATOM 1010 CB ILE A 169 9.215 -14.943 -15.907 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.202 -14.858 -17.073 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.786 -13.552 -15.466 1.00 0.00 C ATOM 1013 CD1 ILE A 169 10.030 -15.963 -18.092 1.00 0.00 C ATOM 0 HA ILE A 169 10.648 -15.107 -14.302 1.00 0.00 H new ATOM 0 HB ILE A 169 8.331 -15.485 -16.243 1.00 0.00 H new ATOM 0 HG12 ILE A 169 10.083 -13.895 -17.570 1.00 0.00 H new ATOM 0 HG13 ILE A 169 11.219 -14.891 -16.681 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.343 -13.023 -16.310 1.00 0.00 H new ATOM 0 HG22 ILE A 169 8.053 -13.635 -14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.655 -13.000 -15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.762 -15.840 -18.890 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.178 -16.929 -17.610 1.00 0.00 H new ATOM 0 HD13 ILE A 169 9.025 -15.918 -18.512 1.00 0.00 H new ATOM 1025 N PHE A 170 9.051 -15.498 -12.447 1.00 0.00 N ATOM 1026 CA PHE A 170 8.114 -15.665 -11.342 1.00 0.00 C ATOM 1027 C PHE A 170 7.502 -14.326 -10.940 1.00 0.00 C ATOM 1028 O PHE A 170 8.197 -13.436 -10.450 1.00 0.00 O ATOM 1029 CB PHE A 170 8.818 -16.299 -10.140 1.00 0.00 C ATOM 1030 CG PHE A 170 8.760 -17.800 -10.134 1.00 0.00 C ATOM 1031 CD1 PHE A 170 7.648 -18.461 -9.637 1.00 0.00 C ATOM 1032 CD2 PHE A 170 9.816 -18.549 -10.626 1.00 0.00 C ATOM 1033 CE1 PHE A 170 7.593 -19.842 -9.630 1.00 0.00 C ATOM 1034 CE2 PHE A 170 9.766 -19.930 -10.621 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.653 -20.578 -10.124 1.00 0.00 C ATOM 0 H PHE A 170 9.913 -15.012 -12.200 1.00 0.00 H new ATOM 0 HA PHE A 170 7.313 -16.325 -11.675 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.861 -15.984 -10.132 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.364 -15.922 -9.223 1.00 0.00 H new ATOM 0 HD1 PHE A 170 6.816 -17.891 -9.251 1.00 0.00 H new ATOM 0 HD2 PHE A 170 10.689 -18.048 -11.018 1.00 0.00 H new ATOM 0 HE1 PHE A 170 6.722 -20.346 -9.238 1.00 0.00 H new ATOM 0 HE2 PHE A 170 10.597 -20.502 -11.006 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.611 -21.657 -10.121 1.00 0.00 H new ATOM 1045 N CYS A 171 6.197 -14.192 -11.151 1.00 0.00 N ATOM 1046 CA CYS A 171 5.491 -12.962 -10.813 1.00 0.00 C ATOM 1047 C CYS A 171 4.318 -13.248 -9.879 1.00 0.00 C ATOM 1048 O CYS A 171 3.809 -14.368 -9.829 1.00 0.00 O ATOM 1049 CB CYS A 171 4.989 -12.272 -12.082 1.00 0.00 C ATOM 1050 SG CYS A 171 4.099 -13.375 -13.227 1.00 0.00 S ATOM 0 H CYS A 171 5.607 -14.920 -11.554 1.00 0.00 H new ATOM 0 HA CYS A 171 6.189 -12.301 -10.300 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.330 -11.451 -11.800 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.839 -11.833 -12.604 1.00 0.00 H new ATOM 1055 N CYS A 172 3.895 -12.228 -9.140 1.00 0.00 N ATOM 1056 CA CYS A 172 2.783 -12.368 -8.207 1.00 0.00 C ATOM 1057 C CYS A 172 2.029 -11.050 -8.058 1.00 0.00 C ATOM 1058 O CYS A 172 2.330 -10.070 -8.739 1.00 0.00 O ATOM 1059 CB CYS A 172 3.292 -12.835 -6.842 1.00 0.00 C ATOM 1060 SG CYS A 172 4.775 -11.953 -6.259 1.00 0.00 S ATOM 0 H CYS A 172 4.306 -11.295 -9.169 1.00 0.00 H new ATOM 0 HA CYS A 172 2.097 -13.115 -8.607 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.496 -12.710 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.514 -13.901 -6.894 1.00 0.00 H new ATOM 1065 N PHE A 173 1.048 -11.035 -7.162 1.00 0.00 N ATOM 1066 CA PHE A 173 0.249 -9.838 -6.923 1.00 0.00 C ATOM 1067 C PHE A 173 0.105 -9.570 -5.428 1.00 0.00 C ATOM 1068 O PHE A 173 -0.916 -9.052 -4.975 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.133 -9.986 -7.562 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.113 -9.898 -9.061 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.883 -11.027 -9.831 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.324 -8.687 -9.701 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.864 -10.950 -11.211 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.307 -8.604 -11.080 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.075 -9.737 -11.836 1.00 0.00 C ATOM 0 H PHE A 173 0.787 -11.838 -6.589 1.00 0.00 H new ATOM 0 HA PHE A 173 0.763 -8.991 -7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.560 -10.945 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.791 -9.211 -7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.717 -11.978 -9.347 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.504 -7.798 -9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.684 -11.837 -11.800 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.475 -7.655 -11.567 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.059 -9.674 -12.914 1.00 0.00 H new ATOM 1085 N ARG A 174 1.135 -9.927 -4.667 1.00 0.00 N ATOM 1086 CA ARG A 174 1.123 -9.727 -3.223 1.00 0.00 C ATOM 1087 C ARG A 174 2.494 -9.281 -2.724 1.00 0.00 C ATOM 1088 O ARG A 174 3.524 -9.777 -3.182 1.00 0.00 O ATOM 1089 CB ARG A 174 0.704 -11.015 -2.512 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.769 -11.351 -2.678 1.00 0.00 C ATOM 1091 CD ARG A 174 -1.502 -11.318 -1.346 1.00 0.00 C ATOM 1092 NE ARG A 174 -2.883 -11.777 -1.469 1.00 0.00 N ATOM 1093 CZ ARG A 174 -3.615 -12.188 -0.440 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -3.101 -12.196 0.782 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -4.865 -12.592 -0.632 1.00 0.00 N ATOM 0 H ARG A 174 1.988 -10.356 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 174 0.400 -8.943 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.302 -11.842 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 174 0.930 -10.923 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.230 -10.642 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.869 -12.340 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.975 -11.944 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -1.492 -10.302 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 174 -3.309 -11.782 -2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -2.141 -11.886 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -3.665 -12.512 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -5.264 -12.587 -1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -5.426 -12.907 0.159 1.00 0.00 H new ATOM 1109 N ASP A 175 2.500 -8.342 -1.785 1.00 0.00 N ATOM 1110 CA ASP A 175 3.744 -7.829 -1.224 1.00 0.00 C ATOM 1111 C ASP A 175 4.591 -8.963 -0.654 1.00 0.00 C ATOM 1112 O ASP A 175 4.122 -9.750 0.168 1.00 0.00 O ATOM 1113 CB ASP A 175 3.450 -6.798 -0.133 1.00 0.00 C ATOM 1114 CG ASP A 175 2.376 -5.810 -0.544 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.205 -6.224 -0.666 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.708 -4.623 -0.745 1.00 0.00 O ATOM 0 H ASP A 175 1.657 -7.920 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 175 4.304 -7.348 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.137 -7.313 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.365 -6.256 0.107 1.00 0.00 H new ATOM 1121 N LEU A 176 5.841 -9.040 -1.098 1.00 0.00 N ATOM 1122 CA LEU A 176 6.755 -10.079 -0.634 1.00 0.00 C ATOM 1123 C LEU A 176 6.116 -11.459 -0.752 1.00 0.00 C ATOM 1124 O LEU A 176 6.299 -12.316 0.114 1.00 0.00 O ATOM 1125 CB LEU A 176 7.163 -9.815 0.817 1.00 0.00 C ATOM 1126 CG LEU A 176 7.376 -8.350 1.198 1.00 0.00 C ATOM 1127 CD1 LEU A 176 7.894 -8.239 2.624 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.337 -7.680 0.226 1.00 0.00 C ATOM 0 H LEU A 176 6.245 -8.396 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 176 7.643 -10.056 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.397 -10.232 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.085 -10.360 1.019 1.00 0.00 H new ATOM 0 HG LEU A 176 6.416 -7.837 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.040 -7.189 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.171 -8.681 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 176 8.843 -8.768 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.477 -6.638 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.297 -8.195 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 176 7.926 -7.727 -0.782 1.00 0.00 H new ATOM 1140 N CYS A 177 5.366 -11.668 -1.829 1.00 0.00 N ATOM 1141 CA CYS A 177 4.701 -12.944 -2.062 1.00 0.00 C ATOM 1142 C CYS A 177 5.675 -14.106 -1.885 1.00 0.00 C ATOM 1143 O CYS A 177 5.271 -15.227 -1.580 1.00 0.00 O ATOM 1144 CB CYS A 177 4.097 -12.979 -3.467 1.00 0.00 C ATOM 1145 SG CYS A 177 5.293 -13.386 -4.780 1.00 0.00 S ATOM 0 H CYS A 177 5.204 -10.969 -2.554 1.00 0.00 H new ATOM 0 HA CYS A 177 3.902 -13.048 -1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.290 -13.711 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.652 -12.008 -3.684 1.00 0.00 H new