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= -0.507 USER MOD Set 1.2: A 119 THR OG1 : rot 143:sc= 1.63 USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0248) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0217 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0793 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 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 95:sc= 0.568 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= -0.0216 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 3.320 -1.362 -3.584 1.00 0.00 N ATOM 19 CA LEU A 101 3.745 -2.735 -3.831 1.00 0.00 C ATOM 20 C LEU A 101 5.231 -2.907 -3.532 1.00 0.00 C ATOM 21 O LEU A 101 6.073 -2.199 -4.086 1.00 0.00 O ATOM 22 CB LEU A 101 3.457 -3.126 -5.281 1.00 0.00 C ATOM 23 CG LEU A 101 3.109 -4.595 -5.524 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.462 -4.999 -6.947 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.828 -5.486 -4.521 1.00 0.00 C ATOM 0 HA LEU A 101 3.181 -3.389 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.632 -2.513 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.330 -2.876 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 101 2.035 -4.721 -5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.207 -6.048 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.902 -4.382 -7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.530 -4.857 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.569 -6.528 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.905 -5.356 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.526 -5.213 -3.510 1.00 0.00 H new ATOM 37 N LYS A 102 5.548 -3.853 -2.655 1.00 0.00 N ATOM 38 CA LYS A 102 6.932 -4.122 -2.284 1.00 0.00 C ATOM 39 C LYS A 102 7.366 -5.503 -2.766 1.00 0.00 C ATOM 40 O LYS A 102 6.678 -6.497 -2.533 1.00 0.00 O ATOM 41 CB LYS A 102 7.104 -4.022 -0.767 1.00 0.00 C ATOM 42 CG LYS A 102 6.665 -2.686 -0.192 1.00 0.00 C ATOM 43 CD LYS A 102 7.199 -2.482 1.216 1.00 0.00 C ATOM 44 CE LYS A 102 6.078 -2.483 2.244 1.00 0.00 C ATOM 45 NZ LYS A 102 5.228 -1.265 2.138 1.00 0.00 N ATOM 0 H LYS A 102 4.864 -4.447 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 102 7.563 -3.374 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.532 -4.818 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.152 -4.189 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.016 -1.879 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.576 -2.634 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.912 -3.271 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.740 -1.537 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.460 -3.370 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.504 -2.543 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.586 -1.218 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.833 -0.419 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.671 -1.306 1.261 1.00 0.00 H new ATOM 59 N CYS A 103 8.512 -5.557 -3.436 1.00 0.00 N ATOM 60 CA CYS A 103 9.039 -6.816 -3.949 1.00 0.00 C ATOM 61 C CYS A 103 10.528 -6.948 -3.642 1.00 0.00 C ATOM 62 O CYS A 103 11.275 -5.971 -3.703 1.00 0.00 O ATOM 63 CB CYS A 103 8.809 -6.912 -5.459 1.00 0.00 C ATOM 64 SG CYS A 103 7.151 -6.379 -5.993 1.00 0.00 S ATOM 0 H CYS A 103 9.094 -4.743 -3.636 1.00 0.00 H new ATOM 0 HA CYS A 103 8.510 -7.631 -3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.556 -6.304 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 103 8.967 -7.943 -5.775 1.00 0.00 H new ATOM 69 N TYR A 104 10.952 -8.163 -3.311 1.00 0.00 N ATOM 70 CA TYR A 104 12.351 -8.423 -2.991 1.00 0.00 C ATOM 71 C TYR A 104 13.224 -8.314 -4.238 1.00 0.00 C ATOM 72 O TYR A 104 13.441 -9.298 -4.946 1.00 0.00 O ATOM 73 CB TYR A 104 12.503 -9.811 -2.368 1.00 0.00 C ATOM 74 CG TYR A 104 12.159 -9.855 -0.896 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.927 -9.171 0.038 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.065 -10.580 -0.440 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.616 -9.210 1.384 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.745 -10.623 0.903 1.00 0.00 C ATOM 79 CZ TYR A 104 11.524 -9.937 1.811 1.00 0.00 C ATOM 80 OH TYR A 104 11.211 -9.976 3.151 1.00 0.00 O ATOM 0 H TYR A 104 10.347 -8.983 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 104 12.680 -7.672 -2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.863 -10.512 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.530 -10.150 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.781 -8.599 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.454 -11.120 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.224 -8.674 2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.890 -11.190 1.240 1.00 0.00 H new ATOM 0 HH TYR A 104 10.414 -10.530 3.285 1.00 0.00 H new ATOM 90 N THR A 105 13.723 -7.110 -4.500 1.00 0.00 N ATOM 91 CA THR A 105 14.572 -6.870 -5.660 1.00 0.00 C ATOM 92 C THR A 105 15.893 -6.229 -5.251 1.00 0.00 C ATOM 93 O THR A 105 15.913 -5.225 -4.539 1.00 0.00 O ATOM 94 CB THR A 105 13.872 -5.965 -6.690 1.00 0.00 C ATOM 95 OG1 THR A 105 14.009 -4.591 -6.309 1.00 0.00 O ATOM 96 CG2 THR A 105 12.397 -6.319 -6.809 1.00 0.00 C ATOM 0 H THR A 105 13.554 -6.286 -3.924 1.00 0.00 H new ATOM 0 HA THR A 105 14.768 -7.841 -6.115 1.00 0.00 H new ATOM 0 HB THR A 105 14.346 -6.122 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.562 -4.022 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.924 -5.666 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.296 -7.356 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.912 -6.189 -5.841 1.00 0.00 H new ATOM 104 N CYS A 106 16.995 -6.815 -5.706 1.00 0.00 N ATOM 105 CA CYS A 106 18.322 -6.301 -5.388 1.00 0.00 C ATOM 106 C CYS A 106 18.696 -5.149 -6.317 1.00 0.00 C ATOM 107 O CYS A 106 18.106 -4.980 -7.384 1.00 0.00 O ATOM 108 CB CYS A 106 19.364 -7.416 -5.497 1.00 0.00 C ATOM 109 SG CYS A 106 19.389 -8.255 -7.114 1.00 0.00 S ATOM 0 H CYS A 106 16.996 -7.647 -6.296 1.00 0.00 H new ATOM 0 HA CYS A 106 18.304 -5.929 -4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.351 -6.997 -5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.172 -8.155 -4.719 1.00 0.00 H new ATOM 0 HG CYS A 106 20.303 -9.179 -7.109 1.00 0.00 H new ATOM 276 N ILE A 118 14.289 -5.628 0.196 1.00 0.00 N ATOM 277 CA ILE A 118 12.971 -5.024 0.044 1.00 0.00 C ATOM 278 C ILE A 118 13.042 -3.751 -0.792 1.00 0.00 C ATOM 279 O ILE A 118 13.689 -2.776 -0.407 1.00 0.00 O ATOM 280 CB ILE A 118 12.343 -4.692 1.411 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.246 -5.953 2.272 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.970 -4.064 1.225 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.628 -5.711 3.631 1.00 0.00 C ATOM 0 HA ILE A 118 12.346 -5.756 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 118 12.983 -3.973 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.656 -6.701 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.244 -6.370 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.539 -3.835 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.065 -3.146 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.320 -4.761 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.591 -6.648 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.230 -4.987 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.617 -5.323 3.507 1.00 0.00 H new ATOM 295 N THR A 119 12.371 -3.765 -1.940 1.00 0.00 N ATOM 296 CA THR A 119 12.357 -2.612 -2.831 1.00 0.00 C ATOM 297 C THR A 119 10.931 -2.150 -3.111 1.00 0.00 C ATOM 298 O THR A 119 10.013 -2.964 -3.207 1.00 0.00 O ATOM 299 CB THR A 119 13.054 -2.927 -4.168 1.00 0.00 C ATOM 300 OG1 THR A 119 14.452 -3.147 -3.951 1.00 0.00 O ATOM 301 CG2 THR A 119 12.862 -1.790 -5.160 1.00 0.00 C ATOM 0 H THR A 119 11.830 -4.563 -2.274 1.00 0.00 H new ATOM 0 HA THR A 119 12.901 -1.815 -2.325 1.00 0.00 H new ATOM 0 HB THR A 119 12.605 -3.829 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.767 -3.860 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.363 -2.036 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.798 -1.645 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.287 -0.874 -4.750 1.00 0.00 H new ATOM 309 N ARG A 120 10.754 -0.840 -3.241 1.00 0.00 N ATOM 310 CA ARG A 120 9.439 -0.270 -3.510 1.00 0.00 C ATOM 311 C ARG A 120 9.182 -0.179 -5.011 1.00 0.00 C ATOM 312 O ARG A 120 9.963 0.421 -5.750 1.00 0.00 O ATOM 313 CB ARG A 120 9.322 1.118 -2.877 1.00 0.00 C ATOM 314 CG ARG A 120 10.116 1.269 -1.590 1.00 0.00 C ATOM 315 CD ARG A 120 9.489 2.302 -0.667 1.00 0.00 C ATOM 316 NE ARG A 120 9.640 1.942 0.740 1.00 0.00 N ATOM 317 CZ ARG A 120 10.761 2.123 1.429 1.00 0.00 C ATOM 318 NH1 ARG A 120 11.824 2.657 0.844 1.00 0.00 N ATOM 319 NH2 ARG A 120 10.821 1.769 2.707 1.00 0.00 N ATOM 0 H ARG A 120 11.504 -0.153 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 120 8.689 -0.927 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.663 1.865 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.272 1.328 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.169 0.308 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 120 11.139 1.562 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.950 3.274 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.430 2.404 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 120 8.841 1.529 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.782 2.930 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.683 2.795 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.006 1.357 3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.683 1.909 3.235 1.00 0.00 H new ATOM 333 N CYS A 121 8.083 -0.780 -5.456 1.00 0.00 N ATOM 334 CA CYS A 121 7.723 -0.769 -6.868 1.00 0.00 C ATOM 335 C CYS A 121 7.055 0.550 -7.249 1.00 0.00 C ATOM 336 O CYS A 121 6.892 1.440 -6.414 1.00 0.00 O ATOM 337 CB CYS A 121 6.788 -1.937 -7.187 1.00 0.00 C ATOM 338 SG CYS A 121 7.542 -3.579 -6.949 1.00 0.00 S ATOM 0 H CYS A 121 7.426 -1.281 -4.858 1.00 0.00 H new ATOM 0 HA CYS A 121 8.638 -0.875 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.901 -1.861 -6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.453 -1.849 -8.221 1.00 0.00 H new ATOM 343 N LYS A 122 6.671 0.668 -8.515 1.00 0.00 N ATOM 344 CA LYS A 122 6.019 1.875 -9.008 1.00 0.00 C ATOM 345 C LYS A 122 4.525 1.851 -8.703 1.00 0.00 C ATOM 346 O LYS A 122 3.940 0.803 -8.427 1.00 0.00 O ATOM 347 CB LYS A 122 6.240 2.020 -10.516 1.00 0.00 C ATOM 348 CG LYS A 122 7.545 1.412 -11.000 1.00 0.00 C ATOM 349 CD LYS A 122 8.066 2.123 -12.238 1.00 0.00 C ATOM 350 CE LYS A 122 8.584 1.135 -13.272 1.00 0.00 C ATOM 351 NZ LYS A 122 7.714 1.088 -14.479 1.00 0.00 N ATOM 0 H LYS A 122 6.800 -0.059 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 122 6.462 2.730 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.411 1.548 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.223 3.078 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.290 1.468 -10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.395 0.355 -11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.269 2.725 -12.675 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.865 2.808 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.596 1.413 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.642 0.141 -12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.101 0.403 -15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.754 0.798 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.678 2.030 -14.918 1.00 0.00 H new ATOM 365 N PRO A 123 3.890 3.032 -8.754 1.00 0.00 N ATOM 366 CA PRO A 123 2.456 3.171 -8.487 1.00 0.00 C ATOM 367 C PRO A 123 1.599 2.553 -9.586 1.00 0.00 C ATOM 368 O PRO A 123 0.493 2.079 -9.330 1.00 0.00 O ATOM 369 CB PRO A 123 2.250 4.687 -8.438 1.00 0.00 C ATOM 370 CG PRO A 123 3.355 5.246 -9.267 1.00 0.00 C ATOM 371 CD PRO A 123 4.524 4.321 -9.076 1.00 0.00 C ATOM 0 HA PRO A 123 2.160 2.657 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.275 4.967 -8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.295 5.060 -7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.067 5.299 -10.317 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.604 6.260 -8.953 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.135 4.254 -9.976 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.177 4.660 -8.272 1.00 0.00 H new ATOM 379 N GLU A 124 2.118 2.560 -10.810 1.00 0.00 N ATOM 380 CA GLU A 124 1.399 1.999 -11.947 1.00 0.00 C ATOM 381 C GLU A 124 1.426 0.474 -11.910 1.00 0.00 C ATOM 382 O GLU A 124 0.539 -0.187 -12.451 1.00 0.00 O ATOM 383 CB GLU A 124 2.006 2.498 -13.260 1.00 0.00 C ATOM 384 CG GLU A 124 2.455 3.949 -13.210 1.00 0.00 C ATOM 385 CD GLU A 124 2.839 4.489 -14.574 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.015 4.386 -15.507 1.00 0.00 O ATOM 387 OE2 GLU A 124 3.964 5.013 -14.708 1.00 0.00 O ATOM 0 H GLU A 124 3.033 2.948 -11.039 1.00 0.00 H new ATOM 0 HA GLU A 124 0.362 2.329 -11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.860 1.871 -13.517 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.272 2.381 -14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.653 4.559 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.306 4.039 -12.535 1.00 0.00 H new ATOM 394 N ASP A 125 2.450 -0.078 -11.268 1.00 0.00 N ATOM 395 CA ASP A 125 2.593 -1.525 -11.158 1.00 0.00 C ATOM 396 C ASP A 125 1.761 -2.068 -10.001 1.00 0.00 C ATOM 397 O ASP A 125 1.467 -1.351 -9.043 1.00 0.00 O ATOM 398 CB ASP A 125 4.064 -1.900 -10.966 1.00 0.00 C ATOM 399 CG ASP A 125 4.789 -2.095 -12.282 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.390 -1.457 -13.279 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.755 -2.886 -12.317 1.00 0.00 O ATOM 0 H ASP A 125 3.193 0.455 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 125 2.230 -1.972 -12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.563 -1.119 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.129 -2.817 -10.380 1.00 0.00 H new ATOM 406 N THR A 126 1.382 -3.339 -10.096 1.00 0.00 N ATOM 407 CA THR A 126 0.582 -3.977 -9.058 1.00 0.00 C ATOM 408 C THR A 126 0.925 -5.457 -8.932 1.00 0.00 C ATOM 409 O THR A 126 0.169 -6.231 -8.346 1.00 0.00 O ATOM 410 CB THR A 126 -0.925 -3.834 -9.343 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.300 -4.682 -10.434 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.279 -2.391 -9.672 1.00 0.00 C ATOM 0 H THR A 126 1.616 -3.946 -10.881 1.00 0.00 H new ATOM 0 HA THR A 126 0.817 -3.471 -8.122 1.00 0.00 H new ATOM 0 HB THR A 126 -1.471 -4.131 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.260 -4.586 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.348 -2.315 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.019 -1.751 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.723 -2.072 -10.554 1.00 0.00 H new ATOM 420 N ALA A 127 2.070 -5.844 -9.485 1.00 0.00 N ATOM 421 CA ALA A 127 2.514 -7.231 -9.431 1.00 0.00 C ATOM 422 C ALA A 127 4.036 -7.321 -9.441 1.00 0.00 C ATOM 423 O ALA A 127 4.717 -6.439 -9.966 1.00 0.00 O ATOM 424 CB ALA A 127 1.930 -8.017 -10.595 1.00 0.00 C ATOM 0 H ALA A 127 2.707 -5.216 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 127 2.157 -7.665 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.270 -9.051 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.842 -7.989 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.260 -7.574 -11.535 1.00 0.00 H new ATOM 430 N CYS A 128 4.565 -8.391 -8.858 1.00 0.00 N ATOM 431 CA CYS A 128 6.007 -8.596 -8.798 1.00 0.00 C ATOM 432 C CYS A 128 6.452 -9.635 -9.823 1.00 0.00 C ATOM 433 O CYS A 128 5.664 -10.480 -10.247 1.00 0.00 O ATOM 434 CB CYS A 128 6.423 -9.039 -7.394 1.00 0.00 C ATOM 435 SG CYS A 128 5.903 -7.900 -6.071 1.00 0.00 S ATOM 0 H CYS A 128 4.016 -9.130 -8.420 1.00 0.00 H new ATOM 0 HA CYS A 128 6.493 -7.649 -9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.003 -10.025 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.508 -9.143 -7.364 1.00 0.00 H new ATOM 440 N MET A 129 7.720 -9.566 -10.216 1.00 0.00 N ATOM 441 CA MET A 129 8.270 -10.501 -11.191 1.00 0.00 C ATOM 442 C MET A 129 9.604 -11.064 -10.711 1.00 0.00 C ATOM 443 O MET A 129 10.418 -10.348 -10.127 1.00 0.00 O ATOM 444 CB MET A 129 8.451 -9.812 -12.545 1.00 0.00 C ATOM 445 CG MET A 129 8.056 -10.683 -13.727 1.00 0.00 C ATOM 446 SD MET A 129 8.418 -9.905 -15.313 1.00 0.00 S ATOM 447 CE MET A 129 10.104 -10.447 -15.579 1.00 0.00 C ATOM 0 H MET A 129 8.386 -8.873 -9.874 1.00 0.00 H new ATOM 0 HA MET A 129 7.567 -11.326 -11.303 1.00 0.00 H new ATOM 0 HB2 MET A 129 7.856 -8.899 -12.562 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.494 -9.514 -12.656 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.584 -11.635 -13.665 1.00 0.00 H new ATOM 0 HG3 MET A 129 6.990 -10.905 -13.670 1.00 0.00 H new ATOM 0 HE1 MET A 129 10.470 -10.046 -16.524 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.734 -10.090 -14.764 1.00 0.00 H new ATOM 0 HE3 MET A 129 10.135 -11.536 -15.611 1.00 0.00 H new ATOM 457 N THR A 130 9.821 -12.352 -10.960 1.00 0.00 N ATOM 458 CA THR A 130 11.056 -13.011 -10.552 1.00 0.00 C ATOM 459 C THR A 130 11.653 -13.818 -11.699 1.00 0.00 C ATOM 460 O THR A 130 10.928 -14.382 -12.519 1.00 0.00 O ATOM 461 CB THR A 130 10.823 -13.944 -9.349 1.00 0.00 C ATOM 462 OG1 THR A 130 9.794 -13.412 -8.508 1.00 0.00 O ATOM 463 CG2 THR A 130 12.102 -14.121 -8.545 1.00 0.00 C ATOM 0 H THR A 130 9.158 -12.959 -11.442 1.00 0.00 H new ATOM 0 HA THR A 130 11.754 -12.225 -10.263 1.00 0.00 H new ATOM 0 HB THR A 130 10.514 -14.918 -9.728 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.935 -13.821 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.912 -14.784 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.874 -14.555 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.437 -13.151 -8.177 1.00 0.00 H new ATOM 471 N THR A 131 12.980 -13.870 -11.751 1.00 0.00 N ATOM 472 CA THR A 131 13.675 -14.608 -12.798 1.00 0.00 C ATOM 473 C THR A 131 14.586 -15.678 -12.205 1.00 0.00 C ATOM 474 O THR A 131 15.571 -15.367 -11.534 1.00 0.00 O ATOM 475 CB THR A 131 14.515 -13.669 -13.685 1.00 0.00 C ATOM 476 OG1 THR A 131 13.659 -12.752 -14.374 1.00 0.00 O ATOM 477 CG2 THR A 131 15.332 -14.464 -14.692 1.00 0.00 C ATOM 0 H THR A 131 13.595 -13.410 -11.080 1.00 0.00 H new ATOM 0 HA THR A 131 12.909 -15.085 -13.410 1.00 0.00 H new ATOM 0 HB THR A 131 15.200 -13.114 -13.044 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.200 -12.157 -14.934 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.917 -13.780 -15.307 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.003 -15.140 -14.163 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.662 -15.042 -15.329 1.00 0.00 H new ATOM 747 N ARG A 149 14.972 -10.378 -9.609 1.00 0.00 N ATOM 748 CA ARG A 149 13.587 -10.014 -9.336 1.00 0.00 C ATOM 749 C ARG A 149 13.332 -8.550 -9.680 1.00 0.00 C ATOM 750 O ARG A 149 14.146 -7.679 -9.375 1.00 0.00 O ATOM 751 CB ARG A 149 13.251 -10.269 -7.866 1.00 0.00 C ATOM 752 CG ARG A 149 11.805 -10.674 -7.633 1.00 0.00 C ATOM 753 CD ARG A 149 11.613 -11.288 -6.255 1.00 0.00 C ATOM 754 NE ARG A 149 10.441 -12.159 -6.202 1.00 0.00 N ATOM 755 CZ ARG A 149 9.204 -11.714 -6.012 1.00 0.00 C ATOM 756 NH1 ARG A 149 8.978 -10.417 -5.857 1.00 0.00 N ATOM 757 NH2 ARG A 149 8.189 -12.569 -5.976 1.00 0.00 N ATOM 0 HA ARG A 149 12.945 -10.634 -9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.905 -11.053 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.464 -9.367 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.160 -9.801 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.499 -11.389 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.501 -11.859 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.508 -10.494 -5.516 1.00 0.00 H new ATOM 0 HE ARG A 149 10.580 -13.163 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 149 9.755 -9.757 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 149 8.027 -10.079 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 149 8.359 -13.568 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 149 7.239 -12.227 -5.830 1.00 0.00 H new ATOM 771 N SER A 150 12.196 -8.286 -10.319 1.00 0.00 N ATOM 772 CA SER A 150 11.835 -6.928 -10.708 1.00 0.00 C ATOM 773 C SER A 150 10.320 -6.748 -10.711 1.00 0.00 C ATOM 774 O SER A 150 9.570 -7.703 -10.915 1.00 0.00 O ATOM 775 CB SER A 150 12.401 -6.605 -12.093 1.00 0.00 C ATOM 776 OG SER A 150 11.552 -7.091 -13.117 1.00 0.00 O ATOM 0 H SER A 150 11.510 -8.995 -10.578 1.00 0.00 H new ATOM 0 HA SER A 150 12.263 -6.241 -9.978 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.522 -5.527 -12.198 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.391 -7.048 -12.197 1.00 0.00 H new ATOM 0 HG SER A 150 11.935 -6.870 -13.992 1.00 0.00 H new ATOM 782 N CYS A 151 9.877 -5.516 -10.484 1.00 0.00 N ATOM 783 CA CYS A 151 8.452 -5.208 -10.459 1.00 0.00 C ATOM 784 C CYS A 151 7.846 -5.325 -11.855 1.00 0.00 C ATOM 785 O CYS A 151 8.550 -5.220 -12.860 1.00 0.00 O ATOM 786 CB CYS A 151 8.223 -3.800 -9.908 1.00 0.00 C ATOM 787 SG CYS A 151 9.113 -3.455 -8.356 1.00 0.00 S ATOM 0 H CYS A 151 10.485 -4.714 -10.315 1.00 0.00 H new ATOM 0 HA CYS A 151 7.961 -5.930 -9.807 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.530 -3.073 -10.660 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.155 -3.656 -9.742 1.00 0.00 H new ATOM 792 N SER A 152 6.536 -5.542 -11.909 1.00 0.00 N ATOM 793 CA SER A 152 5.835 -5.676 -13.181 1.00 0.00 C ATOM 794 C SER A 152 4.392 -5.197 -13.059 1.00 0.00 C ATOM 795 O SER A 152 3.853 -5.088 -11.958 1.00 0.00 O ATOM 796 CB SER A 152 5.863 -7.132 -13.651 1.00 0.00 C ATOM 797 OG SER A 152 5.188 -7.281 -14.889 1.00 0.00 O ATOM 0 H SER A 152 5.938 -5.629 -11.087 1.00 0.00 H new ATOM 0 HA SER A 152 6.345 -5.054 -13.917 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.896 -7.465 -13.754 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.396 -7.769 -12.900 1.00 0.00 H new ATOM 0 HG SER A 152 5.221 -8.220 -15.169 1.00 0.00 H new ATOM 803 N SER A 153 3.772 -4.910 -14.199 1.00 0.00 N ATOM 804 CA SER A 153 2.393 -4.438 -14.222 1.00 0.00 C ATOM 805 C SER A 153 1.480 -5.460 -14.894 1.00 0.00 C ATOM 806 O SER A 153 0.341 -5.153 -15.247 1.00 0.00 O ATOM 807 CB SER A 153 2.302 -3.098 -14.953 1.00 0.00 C ATOM 808 OG SER A 153 3.248 -3.026 -16.006 1.00 0.00 O ATOM 0 H SER A 153 4.203 -4.996 -15.119 1.00 0.00 H new ATOM 0 HA SER A 153 2.064 -4.304 -13.192 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.297 -2.966 -15.353 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.474 -2.284 -14.249 1.00 0.00 H new ATOM 0 HG SER A 153 3.168 -2.160 -16.459 1.00 0.00 H new ATOM 814 N SER A 154 1.989 -6.675 -15.067 1.00 0.00 N ATOM 815 CA SER A 154 1.222 -7.742 -15.700 1.00 0.00 C ATOM 816 C SER A 154 1.845 -9.104 -15.409 1.00 0.00 C ATOM 817 O SER A 154 2.684 -9.591 -16.168 1.00 0.00 O ATOM 818 CB SER A 154 1.144 -7.516 -17.211 1.00 0.00 C ATOM 819 OG SER A 154 2.361 -6.989 -17.711 1.00 0.00 O ATOM 0 H SER A 154 2.929 -6.946 -14.778 1.00 0.00 H new ATOM 0 HA SER A 154 0.214 -7.727 -15.286 1.00 0.00 H new ATOM 0 HB2 SER A 154 0.919 -8.458 -17.712 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.327 -6.831 -17.438 1.00 0.00 H new ATOM 0 HG SER A 154 2.286 -6.855 -18.679 1.00 0.00 H new ATOM 825 N CYS A 155 1.427 -9.715 -14.306 1.00 0.00 N ATOM 826 CA CYS A 155 1.943 -11.021 -13.913 1.00 0.00 C ATOM 827 C CYS A 155 1.457 -12.108 -14.868 1.00 0.00 C ATOM 828 O CYS A 155 0.303 -12.532 -14.808 1.00 0.00 O ATOM 829 CB CYS A 155 1.511 -11.354 -12.483 1.00 0.00 C ATOM 830 SG CYS A 155 1.684 -13.114 -12.045 1.00 0.00 S ATOM 0 H CYS A 155 0.732 -9.327 -13.668 1.00 0.00 H new ATOM 0 HA CYS A 155 3.031 -10.982 -13.958 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.102 -10.758 -11.788 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.470 -11.058 -12.351 1.00 0.00 H new ATOM 1006 N ILE A 169 9.755 -17.768 -14.771 1.00 0.00 N ATOM 1007 CA ILE A 169 9.233 -16.474 -14.348 1.00 0.00 C ATOM 1008 C ILE A 169 8.191 -16.636 -13.247 1.00 0.00 C ATOM 1009 O ILE A 169 7.116 -17.194 -13.471 1.00 0.00 O ATOM 1010 CB ILE A 169 8.605 -15.708 -15.527 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.632 -15.516 -16.644 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.066 -14.365 -15.058 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.341 -16.338 -17.880 1.00 0.00 C ATOM 0 HA ILE A 169 10.078 -15.902 -13.964 1.00 0.00 H new ATOM 0 HB ILE A 169 7.774 -16.293 -15.921 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.666 -14.462 -16.918 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.620 -15.779 -16.267 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.625 -13.835 -15.902 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.306 -14.525 -14.293 1.00 0.00 H new ATOM 0 HG23 ILE A 169 8.880 -13.771 -14.642 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.110 -16.152 -18.630 1.00 0.00 H new ATOM 0 HD12 ILE A 169 9.336 -17.397 -17.620 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.367 -16.059 -18.282 1.00 0.00 H new ATOM 1025 N PHE A 170 8.514 -16.142 -12.056 1.00 0.00 N ATOM 1026 CA PHE A 170 7.605 -16.230 -10.920 1.00 0.00 C ATOM 1027 C PHE A 170 7.072 -14.851 -10.542 1.00 0.00 C ATOM 1028 O PHE A 170 7.823 -13.983 -10.096 1.00 0.00 O ATOM 1029 CB PHE A 170 8.315 -16.861 -9.720 1.00 0.00 C ATOM 1030 CG PHE A 170 8.189 -18.357 -9.668 1.00 0.00 C ATOM 1031 CD1 PHE A 170 8.479 -19.129 -10.782 1.00 0.00 C ATOM 1032 CD2 PHE A 170 7.782 -18.992 -8.506 1.00 0.00 C ATOM 1033 CE1 PHE A 170 8.363 -20.505 -10.737 1.00 0.00 C ATOM 1034 CE2 PHE A 170 7.665 -20.368 -8.455 1.00 0.00 C ATOM 1035 CZ PHE A 170 7.957 -21.126 -9.572 1.00 0.00 C ATOM 0 H PHE A 170 9.399 -15.677 -11.853 1.00 0.00 H new ATOM 0 HA PHE A 170 6.763 -16.859 -11.208 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.371 -16.594 -9.751 1.00 0.00 H new ATOM 0 HB3 PHE A 170 7.906 -16.438 -8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 170 8.799 -18.650 -11.695 1.00 0.00 H new ATOM 0 HD2 PHE A 170 7.553 -18.404 -7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 170 8.590 -21.095 -11.613 1.00 0.00 H new ATOM 0 HE2 PHE A 170 7.346 -20.850 -7.543 1.00 0.00 H new ATOM 0 HZ PHE A 170 7.868 -22.202 -9.535 1.00 0.00 H new ATOM 1045 N CYS A 171 5.770 -14.657 -10.723 1.00 0.00 N ATOM 1046 CA CYS A 171 5.134 -13.385 -10.403 1.00 0.00 C ATOM 1047 C CYS A 171 4.000 -13.580 -9.401 1.00 0.00 C ATOM 1048 O CYS A 171 3.537 -14.700 -9.181 1.00 0.00 O ATOM 1049 CB CYS A 171 4.597 -12.725 -11.675 1.00 0.00 C ATOM 1050 SG CYS A 171 3.456 -13.774 -12.631 1.00 0.00 S ATOM 0 H CYS A 171 5.134 -15.365 -11.090 1.00 0.00 H new ATOM 0 HA CYS A 171 5.885 -12.735 -9.953 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.084 -11.802 -11.404 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.438 -12.448 -12.311 1.00 0.00 H new ATOM 1055 N CYS A 172 3.557 -12.483 -8.795 1.00 0.00 N ATOM 1056 CA CYS A 172 2.478 -12.532 -7.816 1.00 0.00 C ATOM 1057 C CYS A 172 1.766 -11.186 -7.724 1.00 0.00 C ATOM 1058 O CYS A 172 2.054 -10.265 -8.490 1.00 0.00 O ATOM 1059 CB CYS A 172 3.025 -12.927 -6.443 1.00 0.00 C ATOM 1060 SG CYS A 172 4.536 -12.032 -5.959 1.00 0.00 S ATOM 0 H CYS A 172 3.929 -11.549 -8.965 1.00 0.00 H new ATOM 0 HA CYS A 172 1.758 -13.282 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.255 -12.750 -5.692 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.233 -13.997 -6.441 1.00 0.00 H new ATOM 1065 N PHE A 173 0.835 -11.079 -6.782 1.00 0.00 N ATOM 1066 CA PHE A 173 0.080 -9.846 -6.590 1.00 0.00 C ATOM 1067 C PHE A 173 0.037 -9.459 -5.114 1.00 0.00 C ATOM 1068 O PHE A 173 -0.949 -8.897 -4.638 1.00 0.00 O ATOM 1069 CB PHE A 173 -1.343 -10.004 -7.129 1.00 0.00 C ATOM 1070 CG PHE A 173 -1.426 -9.946 -8.628 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -1.464 -8.727 -9.286 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.465 -11.110 -9.378 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.542 -8.671 -10.665 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.542 -11.060 -10.758 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.579 -9.839 -11.402 1.00 0.00 C ATOM 0 H PHE A 173 0.585 -11.831 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 173 0.583 -9.052 -7.142 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.749 -10.956 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.972 -9.220 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.432 -7.811 -8.715 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.435 -12.068 -8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.574 -7.715 -11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.573 -11.975 -11.331 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.637 -9.797 -12.480 1.00 0.00 H new ATOM 1085 N ARG A 174 1.112 -9.766 -4.397 1.00 0.00 N ATOM 1086 CA ARG A 174 1.197 -9.453 -2.975 1.00 0.00 C ATOM 1087 C ARG A 174 2.607 -9.006 -2.600 1.00 0.00 C ATOM 1088 O ARG A 174 3.594 -9.562 -3.083 1.00 0.00 O ATOM 1089 CB ARG A 174 0.797 -10.669 -2.139 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.696 -10.954 -2.153 1.00 0.00 C ATOM 1091 CD ARG A 174 -1.002 -12.350 -1.633 1.00 0.00 C ATOM 1092 NE ARG A 174 -1.931 -13.066 -2.503 1.00 0.00 N ATOM 1093 CZ ARG A 174 -3.244 -12.867 -2.500 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -3.780 -11.977 -1.676 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -4.024 -13.558 -3.322 1.00 0.00 N ATOM 0 H ARG A 174 1.937 -10.231 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 174 0.508 -8.635 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.329 -11.545 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.119 -10.513 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -1.214 -10.215 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.078 -10.851 -3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.075 -12.917 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -1.425 -12.279 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 174 -1.550 -13.757 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -3.184 -11.444 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -4.789 -11.825 -1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -3.615 -14.243 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -5.032 -13.404 -3.318 1.00 0.00 H new ATOM 1109 N ASP A 175 2.693 -7.999 -1.738 1.00 0.00 N ATOM 1110 CA ASP A 175 3.982 -7.477 -1.298 1.00 0.00 C ATOM 1111 C ASP A 175 4.820 -8.575 -0.650 1.00 0.00 C ATOM 1112 O ASP A 175 4.378 -9.233 0.293 1.00 0.00 O ATOM 1113 CB ASP A 175 3.780 -6.324 -0.314 1.00 0.00 C ATOM 1114 CG ASP A 175 2.885 -5.235 -0.873 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.708 -5.529 -1.170 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.362 -4.090 -1.015 1.00 0.00 O ATOM 0 H ASP A 175 1.886 -7.528 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 175 4.515 -7.107 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.345 -6.709 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.749 -5.897 -0.056 1.00 0.00 H new ATOM 1121 N LEU A 176 6.031 -8.767 -1.161 1.00 0.00 N ATOM 1122 CA LEU A 176 6.931 -9.786 -0.633 1.00 0.00 C ATOM 1123 C LEU A 176 6.249 -11.150 -0.598 1.00 0.00 C ATOM 1124 O LEU A 176 6.453 -11.935 0.328 1.00 0.00 O ATOM 1125 CB LEU A 176 7.400 -9.402 0.771 1.00 0.00 C ATOM 1126 CG LEU A 176 7.871 -7.958 0.950 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.512 -7.771 2.316 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.845 -7.574 -0.155 1.00 0.00 C ATOM 0 H LEU A 176 6.412 -8.230 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 176 7.796 -9.849 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.583 -9.585 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.216 -10.067 1.054 1.00 0.00 H new ATOM 0 HG LEU A 176 7.003 -7.302 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.841 -6.738 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.785 -8.005 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.370 -8.437 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.170 -6.543 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.711 -8.235 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.353 -7.668 -1.123 1.00 0.00 H new ATOM 1140 N CYS A 177 5.440 -11.428 -1.615 1.00 0.00 N ATOM 1141 CA CYS A 177 4.729 -12.697 -1.703 1.00 0.00 C ATOM 1142 C CYS A 177 5.685 -13.871 -1.507 1.00 0.00 C ATOM 1143 O CYS A 177 5.274 -14.960 -1.109 1.00 0.00 O ATOM 1144 CB CYS A 177 4.026 -12.819 -3.056 1.00 0.00 C ATOM 1145 SG CYS A 177 5.107 -13.391 -4.407 1.00 0.00 S ATOM 0 H CYS A 177 5.261 -10.790 -2.390 1.00 0.00 H new ATOM 0 HA CYS A 177 3.982 -12.722 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.189 -13.510 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.608 -11.849 -3.325 1.00 0.00 H new