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 170:sc= -1.08 USER MOD Set 1.2: A 119 THR OG1 : rot 138:sc= 1.14 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.097 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 -152:sc= -0.0366 (180deg=-0.862) USER MOD Single : A 130 THR OG1 : rot 86:sc= 1.13 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= -0.0691 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 3.372 -1.572 -2.984 1.00 0.00 N ATOM 19 CA LEU A 101 3.867 -2.895 -3.349 1.00 0.00 C ATOM 20 C LEU A 101 5.372 -2.994 -3.124 1.00 0.00 C ATOM 21 O LEU A 101 6.145 -2.196 -3.654 1.00 0.00 O ATOM 22 CB LEU A 101 3.538 -3.198 -4.812 1.00 0.00 C ATOM 23 CG LEU A 101 3.260 -4.663 -5.148 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.564 -4.942 -6.612 1.00 0.00 C ATOM 25 CD2 LEU A 101 4.076 -5.581 -4.249 1.00 0.00 C ATOM 0 HA LEU A 101 3.374 -3.629 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.666 -2.609 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.369 -2.856 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 101 2.203 -4.861 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.360 -5.990 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.937 -4.310 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.613 -4.726 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.865 -6.620 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.138 -5.381 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.810 -5.401 -3.207 1.00 0.00 H new ATOM 37 N LYS A 102 5.783 -3.981 -2.334 1.00 0.00 N ATOM 38 CA LYS A 102 7.196 -4.189 -2.040 1.00 0.00 C ATOM 39 C LYS A 102 7.661 -5.552 -2.541 1.00 0.00 C ATOM 40 O LYS A 102 7.011 -6.569 -2.299 1.00 0.00 O ATOM 41 CB LYS A 102 7.447 -4.074 -0.535 1.00 0.00 C ATOM 42 CG LYS A 102 7.355 -2.651 -0.010 1.00 0.00 C ATOM 43 CD LYS A 102 6.329 -2.534 1.105 1.00 0.00 C ATOM 44 CE LYS A 102 6.796 -1.580 2.193 1.00 0.00 C ATOM 45 NZ LYS A 102 7.579 -2.282 3.248 1.00 0.00 N ATOM 0 H LYS A 102 5.157 -4.650 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 102 7.766 -3.418 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.724 -4.695 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.436 -4.473 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.331 -2.334 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.087 -1.978 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.382 -2.184 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.145 -3.518 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.408 -0.794 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.932 -1.094 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.879 -1.597 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.988 -3.015 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.418 -2.725 2.821 1.00 0.00 H new ATOM 59 N CYS A 103 8.792 -5.567 -3.240 1.00 0.00 N ATOM 60 CA CYS A 103 9.345 -6.805 -3.774 1.00 0.00 C ATOM 61 C CYS A 103 10.849 -6.881 -3.525 1.00 0.00 C ATOM 62 O CYS A 103 11.544 -5.864 -3.544 1.00 0.00 O ATOM 63 CB CYS A 103 9.059 -6.911 -5.273 1.00 0.00 C ATOM 64 SG CYS A 103 7.357 -6.461 -5.739 1.00 0.00 S ATOM 0 H CYS A 103 9.343 -4.735 -3.449 1.00 0.00 H new ATOM 0 HA CYS A 103 8.867 -7.639 -3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.754 -6.266 -5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.255 -7.933 -5.598 1.00 0.00 H new ATOM 69 N TYR A 104 11.344 -8.091 -3.293 1.00 0.00 N ATOM 70 CA TYR A 104 12.765 -8.300 -3.038 1.00 0.00 C ATOM 71 C TYR A 104 13.586 -8.060 -4.302 1.00 0.00 C ATOM 72 O TYR A 104 13.891 -8.994 -5.045 1.00 0.00 O ATOM 73 CB TYR A 104 13.008 -9.718 -2.519 1.00 0.00 C ATOM 74 CG TYR A 104 12.613 -9.909 -1.073 1.00 0.00 C ATOM 75 CD1 TYR A 104 13.283 -9.243 -0.055 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.569 -10.758 -0.724 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.926 -9.415 1.269 1.00 0.00 C ATOM 78 CE2 TYR A 104 11.204 -10.935 0.597 1.00 0.00 C ATOM 79 CZ TYR A 104 11.886 -10.262 1.589 1.00 0.00 C ATOM 80 OH TYR A 104 11.526 -10.437 2.906 1.00 0.00 O ATOM 0 H TYR A 104 10.783 -8.943 -3.276 1.00 0.00 H new ATOM 0 HA TYR A 104 13.082 -7.584 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.449 -10.422 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 104 14.064 -9.962 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 104 14.098 -8.579 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.034 -11.288 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.458 -8.889 2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.389 -11.597 0.851 1.00 0.00 H new ATOM 0 HH TYR A 104 10.775 -11.064 2.959 1.00 0.00 H new ATOM 90 N THR A 105 13.941 -6.802 -4.540 1.00 0.00 N ATOM 91 CA THR A 105 14.726 -6.437 -5.712 1.00 0.00 C ATOM 92 C THR A 105 16.080 -5.864 -5.311 1.00 0.00 C ATOM 93 O THR A 105 16.157 -4.888 -4.565 1.00 0.00 O ATOM 94 CB THR A 105 13.985 -5.408 -6.587 1.00 0.00 C ATOM 95 OG1 THR A 105 14.135 -4.096 -6.033 1.00 0.00 O ATOM 96 CG2 THR A 105 12.507 -5.753 -6.693 1.00 0.00 C ATOM 0 H THR A 105 13.697 -6.017 -3.936 1.00 0.00 H new ATOM 0 HA THR A 105 14.877 -7.350 -6.287 1.00 0.00 H new ATOM 0 HB THR A 105 14.420 -5.432 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.803 -3.431 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.004 -5.013 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.395 -6.740 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 105 12.061 -5.754 -5.698 1.00 0.00 H new ATOM 104 N CYS A 106 17.148 -6.477 -5.811 1.00 0.00 N ATOM 105 CA CYS A 106 18.501 -6.028 -5.505 1.00 0.00 C ATOM 106 C CYS A 106 18.926 -4.903 -6.444 1.00 0.00 C ATOM 107 O CYS A 106 18.140 -4.438 -7.269 1.00 0.00 O ATOM 108 CB CYS A 106 19.485 -7.196 -5.612 1.00 0.00 C ATOM 109 SG CYS A 106 19.360 -8.132 -7.170 1.00 0.00 S ATOM 0 H CYS A 106 17.102 -7.286 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 106 18.509 -5.647 -4.484 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.500 -6.812 -5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.317 -7.876 -4.777 1.00 0.00 H new ATOM 0 HG CYS A 106 20.232 -9.096 -7.168 1.00 0.00 H new ATOM 276 N ILE A 118 14.624 -5.821 0.361 1.00 0.00 N ATOM 277 CA ILE A 118 13.281 -5.262 0.269 1.00 0.00 C ATOM 278 C ILE A 118 13.295 -3.911 -0.437 1.00 0.00 C ATOM 279 O ILE A 118 13.941 -2.966 0.017 1.00 0.00 O ATOM 280 CB ILE A 118 12.646 -5.094 1.662 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.564 -6.445 2.376 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.265 -4.468 1.542 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.098 -6.343 3.811 1.00 0.00 C ATOM 0 HA ILE A 118 12.685 -5.966 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 118 13.275 -4.429 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.884 -7.096 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.546 -6.918 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.829 -4.356 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.349 -3.489 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.626 -5.110 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.064 -7.338 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.791 -5.718 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.103 -5.899 3.840 1.00 0.00 H new ATOM 295 N THR A 119 12.576 -3.825 -1.552 1.00 0.00 N ATOM 296 CA THR A 119 12.504 -2.590 -2.322 1.00 0.00 C ATOM 297 C THR A 119 11.057 -2.195 -2.594 1.00 0.00 C ATOM 298 O THR A 119 10.197 -3.052 -2.793 1.00 0.00 O ATOM 299 CB THR A 119 13.249 -2.721 -3.664 1.00 0.00 C ATOM 300 OG1 THR A 119 14.653 -2.879 -3.431 1.00 0.00 O ATOM 301 CG2 THR A 119 13.010 -1.498 -4.537 1.00 0.00 C ATOM 0 H THR A 119 12.035 -4.597 -1.942 1.00 0.00 H new ATOM 0 HA THR A 119 12.983 -1.816 -1.723 1.00 0.00 H new ATOM 0 HB THR A 119 12.866 -3.599 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.010 -3.561 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.546 -1.613 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.943 -1.396 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.369 -0.607 -4.022 1.00 0.00 H new ATOM 309 N ARG A 120 10.796 -0.892 -2.601 1.00 0.00 N ATOM 310 CA ARG A 120 9.452 -0.383 -2.848 1.00 0.00 C ATOM 311 C ARG A 120 9.221 -0.162 -4.340 1.00 0.00 C ATOM 312 O ARG A 120 9.973 0.560 -4.996 1.00 0.00 O ATOM 313 CB ARG A 120 9.231 0.926 -2.087 1.00 0.00 C ATOM 314 CG ARG A 120 9.961 0.986 -0.755 1.00 0.00 C ATOM 315 CD ARG A 120 9.241 1.889 0.234 1.00 0.00 C ATOM 316 NE ARG A 120 9.770 1.749 1.588 1.00 0.00 N ATOM 317 CZ ARG A 120 9.162 2.226 2.668 1.00 0.00 C ATOM 318 NH1 ARG A 120 8.009 2.871 2.553 1.00 0.00 N ATOM 319 NH2 ARG A 120 9.706 2.059 3.867 1.00 0.00 N ATOM 0 H ARG A 120 11.497 -0.169 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 120 8.738 -1.126 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.559 1.758 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 120 8.163 1.060 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.044 -0.018 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.976 1.352 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.336 2.926 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.177 1.651 0.234 1.00 0.00 H new ATOM 0 HE ARG A 120 10.655 1.258 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.587 3.002 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.544 3.236 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.593 1.564 3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.237 2.426 4.695 1.00 0.00 H new ATOM 333 N CYS A 121 8.175 -0.787 -4.870 1.00 0.00 N ATOM 334 CA CYS A 121 7.844 -0.660 -6.284 1.00 0.00 C ATOM 335 C CYS A 121 7.118 0.654 -6.557 1.00 0.00 C ATOM 336 O CYS A 121 6.884 1.448 -5.646 1.00 0.00 O ATOM 337 CB CYS A 121 6.977 -1.838 -6.734 1.00 0.00 C ATOM 338 SG CYS A 121 7.814 -3.453 -6.649 1.00 0.00 S ATOM 0 H CYS A 121 7.542 -1.387 -4.341 1.00 0.00 H new ATOM 0 HA CYS A 121 8.775 -0.665 -6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.080 -1.873 -6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.650 -1.664 -7.759 1.00 0.00 H new ATOM 343 N LYS A 122 6.764 0.877 -7.818 1.00 0.00 N ATOM 344 CA LYS A 122 6.063 2.093 -8.213 1.00 0.00 C ATOM 345 C LYS A 122 4.572 1.983 -7.913 1.00 0.00 C ATOM 346 O LYS A 122 4.033 0.895 -7.712 1.00 0.00 O ATOM 347 CB LYS A 122 6.276 2.368 -9.703 1.00 0.00 C ATOM 348 CG LYS A 122 7.606 1.858 -10.232 1.00 0.00 C ATOM 349 CD LYS A 122 8.041 2.619 -11.473 1.00 0.00 C ATOM 350 CE LYS A 122 9.283 2.003 -12.097 1.00 0.00 C ATOM 351 NZ LYS A 122 10.479 2.874 -11.928 1.00 0.00 N ATOM 0 H LYS A 122 6.951 0.231 -8.585 1.00 0.00 H new ATOM 0 HA LYS A 122 6.471 2.922 -7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.468 1.904 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.213 3.442 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.368 1.956 -9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.523 0.797 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.230 2.623 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.241 3.658 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.474 1.031 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.108 1.829 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.305 2.419 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 10.307 3.793 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 10.662 3.020 -10.915 1.00 0.00 H new ATOM 365 N PRO A 123 3.886 3.136 -7.884 1.00 0.00 N ATOM 366 CA PRO A 123 2.447 3.195 -7.612 1.00 0.00 C ATOM 367 C PRO A 123 1.617 2.617 -8.754 1.00 0.00 C ATOM 368 O PRO A 123 0.528 2.088 -8.534 1.00 0.00 O ATOM 369 CB PRO A 123 2.176 4.694 -7.460 1.00 0.00 C ATOM 370 CG PRO A 123 3.255 5.356 -8.245 1.00 0.00 C ATOM 371 CD PRO A 123 4.464 4.471 -8.115 1.00 0.00 C ATOM 0 HA PRO A 123 2.173 2.607 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.190 4.959 -7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.205 4.997 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.965 5.469 -9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.460 6.355 -7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.077 4.493 -9.016 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.102 4.781 -7.288 1.00 0.00 H new ATOM 379 N GLU A 124 2.140 2.721 -9.971 1.00 0.00 N ATOM 380 CA GLU A 124 1.446 2.208 -11.147 1.00 0.00 C ATOM 381 C GLU A 124 1.511 0.685 -11.195 1.00 0.00 C ATOM 382 O GLU A 124 0.637 0.033 -11.768 1.00 0.00 O ATOM 383 CB GLU A 124 2.053 2.797 -12.422 1.00 0.00 C ATOM 384 CG GLU A 124 3.562 2.640 -12.507 1.00 0.00 C ATOM 385 CD GLU A 124 4.078 2.727 -13.930 1.00 0.00 C ATOM 386 OE1 GLU A 124 4.155 3.854 -14.464 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.406 1.671 -14.509 1.00 0.00 O ATOM 0 H GLU A 124 3.041 3.155 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 124 0.400 2.507 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.597 2.316 -13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.803 3.856 -12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.039 3.413 -11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.848 1.679 -12.079 1.00 0.00 H new ATOM 394 N ASP A 125 2.553 0.124 -10.592 1.00 0.00 N ATOM 395 CA ASP A 125 2.734 -1.323 -10.565 1.00 0.00 C ATOM 396 C ASP A 125 1.951 -1.947 -9.414 1.00 0.00 C ATOM 397 O ASP A 125 1.702 -1.302 -8.395 1.00 0.00 O ATOM 398 CB ASP A 125 4.218 -1.671 -10.438 1.00 0.00 C ATOM 399 CG ASP A 125 4.915 -1.733 -11.782 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.468 -1.034 -12.715 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.909 -2.481 -11.902 1.00 0.00 O ATOM 0 H ASP A 125 3.286 0.649 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 125 2.353 -1.730 -11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.710 -0.928 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.321 -2.632 -9.934 1.00 0.00 H new ATOM 406 N THR A 126 1.564 -3.208 -9.583 1.00 0.00 N ATOM 407 CA THR A 126 0.809 -3.919 -8.559 1.00 0.00 C ATOM 408 C THR A 126 1.158 -5.403 -8.549 1.00 0.00 C ATOM 409 O THR A 126 0.440 -6.215 -7.968 1.00 0.00 O ATOM 410 CB THR A 126 -0.709 -3.762 -8.771 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.122 -4.506 -9.923 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.083 -2.298 -8.946 1.00 0.00 C ATOM 0 H THR A 126 1.761 -3.757 -10.419 1.00 0.00 H new ATOM 0 HA THR A 126 1.083 -3.478 -7.601 1.00 0.00 H new ATOM 0 HB THR A 126 -1.218 -4.147 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.088 -4.403 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.160 -2.213 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.794 -1.740 -8.056 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.564 -1.891 -9.814 1.00 0.00 H new ATOM 420 N ALA A 127 2.266 -5.750 -9.196 1.00 0.00 N ATOM 421 CA ALA A 127 2.712 -7.136 -9.258 1.00 0.00 C ATOM 422 C ALA A 127 4.230 -7.219 -9.380 1.00 0.00 C ATOM 423 O ALA A 127 4.857 -6.392 -10.042 1.00 0.00 O ATOM 424 CB ALA A 127 2.047 -7.852 -10.424 1.00 0.00 C ATOM 0 H ALA A 127 2.871 -5.090 -9.685 1.00 0.00 H new ATOM 0 HA ALA A 127 2.421 -7.628 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.389 -8.886 -10.459 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.965 -7.832 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.310 -7.352 -11.356 1.00 0.00 H new ATOM 430 N CYS A 128 4.816 -8.223 -8.736 1.00 0.00 N ATOM 431 CA CYS A 128 6.261 -8.414 -8.770 1.00 0.00 C ATOM 432 C CYS A 128 6.661 -9.334 -9.920 1.00 0.00 C ATOM 433 O CYS A 128 5.818 -10.012 -10.507 1.00 0.00 O ATOM 434 CB CYS A 128 6.751 -8.997 -7.443 1.00 0.00 C ATOM 435 SG CYS A 128 6.221 -8.055 -5.977 1.00 0.00 S ATOM 0 H CYS A 128 4.312 -8.917 -8.184 1.00 0.00 H new ATOM 0 HA CYS A 128 6.727 -7.441 -8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.390 -10.022 -7.353 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.840 -9.043 -7.458 1.00 0.00 H new ATOM 440 N MET A 129 7.951 -9.351 -10.236 1.00 0.00 N ATOM 441 CA MET A 129 8.463 -10.189 -11.315 1.00 0.00 C ATOM 442 C MET A 129 9.827 -10.768 -10.953 1.00 0.00 C ATOM 443 O MET A 129 10.653 -10.098 -10.333 1.00 0.00 O ATOM 444 CB MET A 129 8.565 -9.382 -12.611 1.00 0.00 C ATOM 445 CG MET A 129 8.120 -10.153 -13.843 1.00 0.00 C ATOM 446 SD MET A 129 8.342 -9.214 -15.367 1.00 0.00 S ATOM 447 CE MET A 129 9.567 -10.216 -16.206 1.00 0.00 C ATOM 0 H MET A 129 8.661 -8.794 -9.761 1.00 0.00 H new ATOM 0 HA MET A 129 7.766 -11.014 -11.463 1.00 0.00 H new ATOM 0 HB2 MET A 129 7.958 -8.481 -12.517 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.597 -9.059 -12.748 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.684 -11.083 -13.908 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.070 -10.424 -13.738 1.00 0.00 H new ATOM 0 HE1 MET A 129 10.162 -9.586 -16.867 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.218 -10.687 -15.470 1.00 0.00 H new ATOM 0 HE3 MET A 129 9.067 -10.986 -16.793 1.00 0.00 H new ATOM 457 N THR A 130 10.057 -12.018 -11.345 1.00 0.00 N ATOM 458 CA THR A 130 11.320 -12.687 -11.061 1.00 0.00 C ATOM 459 C THR A 130 11.890 -13.342 -12.314 1.00 0.00 C ATOM 460 O THR A 130 11.147 -13.734 -13.215 1.00 0.00 O ATOM 461 CB THR A 130 11.154 -13.758 -9.966 1.00 0.00 C ATOM 462 OG1 THR A 130 10.255 -13.290 -8.955 1.00 0.00 O ATOM 463 CG2 THR A 130 12.496 -14.103 -9.339 1.00 0.00 C ATOM 0 H THR A 130 9.385 -12.587 -11.860 1.00 0.00 H new ATOM 0 HA THR A 130 12.011 -11.921 -10.709 1.00 0.00 H new ATOM 0 HB THR A 130 10.745 -14.657 -10.427 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.333 -13.494 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.354 -14.861 -8.569 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.168 -14.487 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.929 -13.208 -8.892 1.00 0.00 H new ATOM 471 N THR A 131 13.213 -13.458 -12.366 1.00 0.00 N ATOM 472 CA THR A 131 13.882 -14.065 -13.510 1.00 0.00 C ATOM 473 C THR A 131 14.899 -15.109 -13.062 1.00 0.00 C ATOM 474 O THR A 131 15.792 -14.818 -12.265 1.00 0.00 O ATOM 475 CB THR A 131 14.597 -13.005 -14.370 1.00 0.00 C ATOM 476 OG1 THR A 131 13.896 -11.759 -14.295 1.00 0.00 O ATOM 477 CG2 THR A 131 14.687 -13.456 -15.820 1.00 0.00 C ATOM 0 H THR A 131 13.842 -13.140 -11.629 1.00 0.00 H new ATOM 0 HA THR A 131 13.109 -14.547 -14.109 1.00 0.00 H new ATOM 0 HB THR A 131 15.608 -12.876 -13.983 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.358 -11.090 -14.843 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.195 -12.692 -16.408 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.247 -14.390 -15.877 1.00 0.00 H new ATOM 0 HG23 THR A 131 13.683 -13.610 -16.216 1.00 0.00 H new ATOM 747 N ARG A 149 15.066 -10.087 -9.691 1.00 0.00 N ATOM 748 CA ARG A 149 13.679 -9.740 -9.406 1.00 0.00 C ATOM 749 C ARG A 149 13.432 -8.252 -9.640 1.00 0.00 C ATOM 750 O ARG A 149 14.242 -7.410 -9.253 1.00 0.00 O ATOM 751 CB ARG A 149 13.325 -10.105 -7.963 1.00 0.00 C ATOM 752 CG ARG A 149 11.872 -10.511 -7.777 1.00 0.00 C ATOM 753 CD ARG A 149 11.574 -10.865 -6.328 1.00 0.00 C ATOM 754 NE ARG A 149 11.282 -12.286 -6.161 1.00 0.00 N ATOM 755 CZ ARG A 149 12.216 -13.210 -5.960 1.00 0.00 C ATOM 756 NH1 ARG A 149 13.494 -12.863 -5.902 1.00 0.00 N ATOM 757 NH2 ARG A 149 11.871 -14.483 -5.817 1.00 0.00 N ATOM 0 HA ARG A 149 13.042 -10.308 -10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.967 -10.923 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.541 -9.253 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.222 -9.696 -8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.647 -11.366 -8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.427 -10.595 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.725 -10.277 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 149 10.308 -12.586 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 149 13.762 -11.885 -6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.209 -13.574 -5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 149 10.888 -14.753 -5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 149 12.588 -15.192 -5.663 1.00 0.00 H new ATOM 771 N SER A 150 12.309 -7.937 -10.277 1.00 0.00 N ATOM 772 CA SER A 150 11.957 -6.552 -10.567 1.00 0.00 C ATOM 773 C SER A 150 10.444 -6.359 -10.539 1.00 0.00 C ATOM 774 O SER A 150 9.682 -7.303 -10.746 1.00 0.00 O ATOM 775 CB SER A 150 12.511 -6.138 -11.932 1.00 0.00 C ATOM 776 OG SER A 150 12.185 -7.095 -12.926 1.00 0.00 O ATOM 0 H SER A 150 11.627 -8.622 -10.602 1.00 0.00 H new ATOM 0 HA SER A 150 12.400 -5.921 -9.797 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.107 -5.165 -12.212 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.594 -6.027 -11.870 1.00 0.00 H new ATOM 0 HG SER A 150 12.549 -6.807 -13.789 1.00 0.00 H new ATOM 782 N CYS A 151 10.016 -5.127 -10.282 1.00 0.00 N ATOM 783 CA CYS A 151 8.595 -4.807 -10.227 1.00 0.00 C ATOM 784 C CYS A 151 7.964 -4.888 -11.614 1.00 0.00 C ATOM 785 O CYS A 151 8.650 -4.757 -12.628 1.00 0.00 O ATOM 786 CB CYS A 151 8.389 -3.409 -9.641 1.00 0.00 C ATOM 787 SG CYS A 151 9.330 -3.096 -8.113 1.00 0.00 S ATOM 0 H CYS A 151 10.634 -4.334 -10.109 1.00 0.00 H new ATOM 0 HA CYS A 151 8.108 -5.539 -9.583 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.674 -2.668 -10.388 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.328 -3.265 -9.437 1.00 0.00 H new ATOM 792 N SER A 152 6.653 -5.104 -11.650 1.00 0.00 N ATOM 793 CA SER A 152 5.930 -5.206 -12.912 1.00 0.00 C ATOM 794 C SER A 152 4.490 -4.727 -12.753 1.00 0.00 C ATOM 795 O SER A 152 3.989 -4.593 -11.637 1.00 0.00 O ATOM 796 CB SER A 152 5.946 -6.650 -13.418 1.00 0.00 C ATOM 797 OG SER A 152 5.314 -6.754 -14.682 1.00 0.00 O ATOM 0 H SER A 152 6.070 -5.212 -10.820 1.00 0.00 H new ATOM 0 HA SER A 152 6.429 -4.567 -13.641 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.975 -7.001 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.440 -7.296 -12.700 1.00 0.00 H new ATOM 0 HG SER A 152 5.339 -7.686 -14.984 1.00 0.00 H new ATOM 803 N SER A 153 3.832 -4.469 -13.878 1.00 0.00 N ATOM 804 CA SER A 153 2.451 -4.001 -13.866 1.00 0.00 C ATOM 805 C SER A 153 1.538 -4.981 -14.596 1.00 0.00 C ATOM 806 O SER A 153 0.362 -4.698 -14.826 1.00 0.00 O ATOM 807 CB SER A 153 2.353 -2.618 -14.512 1.00 0.00 C ATOM 808 OG SER A 153 3.205 -2.521 -15.640 1.00 0.00 O ATOM 0 H SER A 153 4.233 -4.576 -14.810 1.00 0.00 H new ATOM 0 HA SER A 153 2.126 -3.933 -12.828 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.323 -2.426 -14.813 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.621 -1.853 -13.783 1.00 0.00 H new ATOM 0 HG SER A 153 3.123 -1.628 -16.036 1.00 0.00 H new ATOM 814 N SER A 154 2.088 -6.136 -14.957 1.00 0.00 N ATOM 815 CA SER A 154 1.326 -7.158 -15.664 1.00 0.00 C ATOM 816 C SER A 154 2.008 -8.518 -15.554 1.00 0.00 C ATOM 817 O SER A 154 2.799 -8.901 -16.417 1.00 0.00 O ATOM 818 CB SER A 154 1.161 -6.775 -17.136 1.00 0.00 C ATOM 819 OG SER A 154 2.342 -6.176 -17.642 1.00 0.00 O ATOM 0 H SER A 154 3.059 -6.387 -14.771 1.00 0.00 H new ATOM 0 HA SER A 154 0.341 -7.226 -15.201 1.00 0.00 H new ATOM 0 HB2 SER A 154 0.920 -7.662 -17.721 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.324 -6.085 -17.244 1.00 0.00 H new ATOM 0 HG SER A 154 2.212 -5.942 -18.585 1.00 0.00 H new ATOM 825 N CYS A 155 1.696 -9.245 -14.487 1.00 0.00 N ATOM 826 CA CYS A 155 2.279 -10.562 -14.261 1.00 0.00 C ATOM 827 C CYS A 155 1.758 -11.569 -15.283 1.00 0.00 C ATOM 828 O CYS A 155 0.616 -12.023 -15.197 1.00 0.00 O ATOM 829 CB CYS A 155 1.963 -11.047 -12.845 1.00 0.00 C ATOM 830 SG CYS A 155 2.123 -12.848 -12.622 1.00 0.00 S ATOM 0 H CYS A 155 1.042 -8.944 -13.764 1.00 0.00 H new ATOM 0 HA CYS A 155 3.360 -10.478 -14.376 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.629 -10.544 -12.143 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.946 -10.749 -12.589 1.00 0.00 H new ATOM 1006 N ILE A 169 9.887 -17.098 -15.601 1.00 0.00 N ATOM 1007 CA ILE A 169 9.425 -15.842 -15.024 1.00 0.00 C ATOM 1008 C ILE A 169 8.422 -16.088 -13.902 1.00 0.00 C ATOM 1009 O ILE A 169 7.326 -16.598 -14.136 1.00 0.00 O ATOM 1010 CB ILE A 169 8.775 -14.939 -16.090 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.710 -14.775 -17.289 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.427 -13.583 -15.493 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.213 -15.463 -18.541 1.00 0.00 C ATOM 0 HA ILE A 169 10.303 -15.339 -14.619 1.00 0.00 H new ATOM 0 HB ILE A 169 7.854 -15.411 -16.433 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.840 -13.713 -17.495 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.692 -15.172 -17.031 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.969 -12.956 -16.258 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.728 -13.718 -14.667 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.334 -13.103 -15.126 1.00 0.00 H new ATOM 0 HD11 ILE A 169 9.926 -15.305 -19.350 1.00 0.00 H new ATOM 0 HD12 ILE A 169 9.110 -16.532 -18.352 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.245 -15.049 -18.824 1.00 0.00 H new ATOM 1025 N PHE A 170 8.804 -15.721 -12.684 1.00 0.00 N ATOM 1026 CA PHE A 170 7.938 -15.901 -11.524 1.00 0.00 C ATOM 1027 C PHE A 170 7.415 -14.558 -11.022 1.00 0.00 C ATOM 1028 O PHE A 170 8.159 -13.767 -10.441 1.00 0.00 O ATOM 1029 CB PHE A 170 8.693 -16.619 -10.404 1.00 0.00 C ATOM 1030 CG PHE A 170 8.571 -18.115 -10.462 1.00 0.00 C ATOM 1031 CD1 PHE A 170 8.733 -18.790 -11.660 1.00 0.00 C ATOM 1032 CD2 PHE A 170 8.295 -18.845 -9.317 1.00 0.00 C ATOM 1033 CE1 PHE A 170 8.622 -20.167 -11.717 1.00 0.00 C ATOM 1034 CE2 PHE A 170 8.184 -20.222 -9.368 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.346 -20.883 -10.569 1.00 0.00 C ATOM 0 H PHE A 170 9.708 -15.297 -12.474 1.00 0.00 H new ATOM 0 HA PHE A 170 7.087 -16.511 -11.828 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.747 -16.346 -10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.319 -16.269 -9.442 1.00 0.00 H new ATOM 0 HD1 PHE A 170 8.949 -18.234 -12.561 1.00 0.00 H new ATOM 0 HD2 PHE A 170 8.165 -18.333 -8.375 1.00 0.00 H new ATOM 0 HE1 PHE A 170 8.751 -20.682 -12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 170 7.971 -20.780 -8.469 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.257 -21.959 -10.611 1.00 0.00 H new ATOM 1045 N CYS A 171 6.131 -14.307 -11.251 1.00 0.00 N ATOM 1046 CA CYS A 171 5.507 -13.060 -10.824 1.00 0.00 C ATOM 1047 C CYS A 171 4.372 -13.329 -9.840 1.00 0.00 C ATOM 1048 O CYS A 171 3.896 -14.458 -9.718 1.00 0.00 O ATOM 1049 CB CYS A 171 4.975 -12.291 -12.034 1.00 0.00 C ATOM 1050 SG CYS A 171 3.968 -13.297 -13.171 1.00 0.00 S ATOM 0 H CYS A 171 5.501 -14.951 -11.730 1.00 0.00 H new ATOM 0 HA CYS A 171 6.264 -12.457 -10.323 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.376 -11.451 -11.682 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.818 -11.874 -12.585 1.00 0.00 H new ATOM 1055 N CYS A 172 3.944 -12.285 -9.139 1.00 0.00 N ATOM 1056 CA CYS A 172 2.866 -12.406 -8.165 1.00 0.00 C ATOM 1057 C CYS A 172 2.184 -11.060 -7.938 1.00 0.00 C ATOM 1058 O CYS A 172 2.503 -10.071 -8.597 1.00 0.00 O ATOM 1059 CB CYS A 172 3.406 -12.947 -6.840 1.00 0.00 C ATOM 1060 SG CYS A 172 4.931 -12.130 -6.270 1.00 0.00 S ATOM 0 H CYS A 172 4.328 -11.344 -9.227 1.00 0.00 H new ATOM 0 HA CYS A 172 2.129 -13.104 -8.561 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.638 -12.835 -6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.597 -14.015 -6.946 1.00 0.00 H new ATOM 1065 N PHE A 173 1.243 -11.031 -7.000 1.00 0.00 N ATOM 1066 CA PHE A 173 0.514 -9.807 -6.686 1.00 0.00 C ATOM 1067 C PHE A 173 0.476 -9.570 -5.179 1.00 0.00 C ATOM 1068 O PHE A 173 -0.518 -9.079 -4.642 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.911 -9.880 -7.238 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.978 -9.793 -8.736 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.919 -10.939 -9.513 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.099 -8.566 -9.368 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.981 -10.863 -10.892 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.161 -8.483 -10.746 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.101 -9.633 -11.509 1.00 0.00 C ATOM 0 H PHE A 173 0.967 -11.841 -6.444 1.00 0.00 H new ATOM 0 HA PHE A 173 1.035 -8.973 -7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.370 -10.815 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.501 -9.070 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.823 -11.903 -9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.145 -7.664 -8.777 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.936 -11.764 -11.486 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.256 -7.520 -11.226 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.148 -9.570 -12.586 1.00 0.00 H new ATOM 1085 N ARG A 174 1.565 -9.921 -4.503 1.00 0.00 N ATOM 1086 CA ARG A 174 1.655 -9.748 -3.058 1.00 0.00 C ATOM 1087 C ARG A 174 3.050 -9.278 -2.653 1.00 0.00 C ATOM 1088 O ARG A 174 4.053 -9.729 -3.207 1.00 0.00 O ATOM 1089 CB ARG A 174 1.320 -11.059 -2.344 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.162 -11.395 -2.352 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.639 -11.842 -0.979 1.00 0.00 C ATOM 1092 NE ARG A 174 -1.986 -12.407 -1.024 1.00 0.00 N ATOM 1093 CZ ARG A 174 -2.478 -13.210 -0.088 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -1.739 -13.541 0.962 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -3.712 -13.683 -0.200 1.00 0.00 N ATOM 0 H ARG A 174 2.397 -10.327 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 174 0.933 -8.987 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.871 -11.872 -2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.665 -10.999 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.732 -10.522 -2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.354 -12.184 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 174 0.052 -12.584 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -0.625 -10.993 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.581 -12.171 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -0.790 -13.179 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.120 -14.158 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -4.284 -13.430 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -4.089 -14.300 0.520 1.00 0.00 H new ATOM 1109 N ASP A 175 3.104 -8.371 -1.685 1.00 0.00 N ATOM 1110 CA ASP A 175 4.375 -7.840 -1.205 1.00 0.00 C ATOM 1111 C ASP A 175 5.252 -8.954 -0.643 1.00 0.00 C ATOM 1112 O ASP A 175 4.851 -9.671 0.274 1.00 0.00 O ATOM 1113 CB ASP A 175 4.136 -6.773 -0.135 1.00 0.00 C ATOM 1114 CG ASP A 175 3.243 -5.650 -0.627 1.00 0.00 C ATOM 1115 OD1 ASP A 175 2.089 -5.934 -1.008 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.700 -4.488 -0.631 1.00 0.00 O ATOM 0 H ASP A 175 2.283 -7.988 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 175 4.893 -7.386 -2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.683 -7.236 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 175 5.093 -6.360 0.182 1.00 0.00 H new ATOM 1121 N LEU A 176 6.450 -9.095 -1.200 1.00 0.00 N ATOM 1122 CA LEU A 176 7.385 -10.123 -0.755 1.00 0.00 C ATOM 1123 C LEU A 176 6.760 -11.510 -0.861 1.00 0.00 C ATOM 1124 O LEU A 176 7.018 -12.385 -0.034 1.00 0.00 O ATOM 1125 CB LEU A 176 7.818 -9.856 0.688 1.00 0.00 C ATOM 1126 CG LEU A 176 8.197 -8.412 1.019 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.792 -8.323 2.415 1.00 0.00 C ATOM 1128 CD2 LEU A 176 9.172 -7.866 -0.014 1.00 0.00 C ATOM 0 H LEU A 176 6.797 -8.510 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 176 8.260 -10.088 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 176 7.008 -10.159 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.671 -10.495 0.914 1.00 0.00 H new ATOM 0 HG LEU A 176 7.293 -7.804 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 176 9.056 -7.288 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 176 8.062 -8.673 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.686 -8.944 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.431 -6.837 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 176 10.075 -8.476 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.710 -7.893 -1.001 1.00 0.00 H new ATOM 1140 N CYS A 177 5.937 -11.705 -1.887 1.00 0.00 N ATOM 1141 CA CYS A 177 5.276 -12.986 -2.104 1.00 0.00 C ATOM 1142 C CYS A 177 6.288 -14.129 -2.097 1.00 0.00 C ATOM 1143 O CYS A 177 5.943 -15.274 -1.811 1.00 0.00 O ATOM 1144 CB CYS A 177 4.515 -12.972 -3.431 1.00 0.00 C ATOM 1145 SG CYS A 177 5.535 -13.406 -4.877 1.00 0.00 S ATOM 0 H CYS A 177 5.712 -10.992 -2.581 1.00 0.00 H new ATOM 0 HA CYS A 177 4.570 -13.145 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.680 -13.670 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 177 4.090 -11.980 -3.584 1.00 0.00 H new