USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=11 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 -1:sc= 0.33! USER MOD Set 1.2: A 119 THR OG1 : rot -1:sc= 0 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 -7:sc= 0.109 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 72:sc= -0.514 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= 0.0666 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 154 SER OG : rot 51:sc= 0.00503 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.923 -1.743 -2.970 1.00 0.00 N ATOM 19 CA LEU A 101 3.512 -3.028 -3.333 1.00 0.00 C ATOM 20 C LEU A 101 4.989 -3.075 -2.956 1.00 0.00 C ATOM 21 O LEU A 101 5.772 -2.214 -3.358 1.00 0.00 O ATOM 22 CB LEU A 101 3.348 -3.281 -4.832 1.00 0.00 C ATOM 23 CG LEU A 101 3.162 -4.740 -5.250 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.606 -4.944 -6.691 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.932 -5.664 -4.318 1.00 0.00 C ATOM 0 HA LEU A 101 2.990 -3.809 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.489 -2.711 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.225 -2.886 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 101 2.102 -4.985 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.466 -5.988 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.011 -4.310 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.659 -4.680 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.788 -6.698 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.993 -5.418 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.567 -5.539 -3.299 1.00 0.00 H new ATOM 37 N LYS A 102 5.365 -4.089 -2.184 1.00 0.00 N ATOM 38 CA LYS A 102 6.749 -4.252 -1.755 1.00 0.00 C ATOM 39 C LYS A 102 7.319 -5.578 -2.249 1.00 0.00 C ATOM 40 O LYS A 102 6.740 -6.640 -2.016 1.00 0.00 O ATOM 41 CB LYS A 102 6.844 -4.181 -0.230 1.00 0.00 C ATOM 42 CG LYS A 102 6.679 -2.777 0.325 1.00 0.00 C ATOM 43 CD LYS A 102 5.706 -2.749 1.492 1.00 0.00 C ATOM 44 CE LYS A 102 5.458 -1.329 1.977 1.00 0.00 C ATOM 45 NZ LYS A 102 4.626 -1.302 3.212 1.00 0.00 N ATOM 0 H LYS A 102 4.730 -4.811 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 102 7.335 -3.441 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.080 -4.826 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.810 -4.576 0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.648 -2.397 0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.323 -2.113 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.761 -3.202 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.101 -3.351 2.311 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.412 -0.840 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.961 -0.759 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.480 -0.317 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.705 -1.746 3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.111 -1.825 3.969 1.00 0.00 H new ATOM 59 N CYS A 103 8.457 -5.510 -2.932 1.00 0.00 N ATOM 60 CA CYS A 103 9.106 -6.705 -3.459 1.00 0.00 C ATOM 61 C CYS A 103 10.570 -6.762 -3.032 1.00 0.00 C ATOM 62 O CYS A 103 11.199 -5.730 -2.796 1.00 0.00 O ATOM 63 CB CYS A 103 9.007 -6.734 -4.985 1.00 0.00 C ATOM 64 SG CYS A 103 7.365 -6.284 -5.633 1.00 0.00 S ATOM 0 H CYS A 103 8.949 -4.640 -3.134 1.00 0.00 H new ATOM 0 HA CYS A 103 8.593 -7.576 -3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.749 -6.051 -5.399 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.263 -7.734 -5.336 1.00 0.00 H new ATOM 69 N TYR A 104 11.105 -7.974 -2.934 1.00 0.00 N ATOM 70 CA TYR A 104 12.493 -8.166 -2.533 1.00 0.00 C ATOM 71 C TYR A 104 13.442 -7.833 -3.681 1.00 0.00 C ATOM 72 O TYR A 104 14.107 -8.713 -4.228 1.00 0.00 O ATOM 73 CB TYR A 104 12.718 -9.607 -2.072 1.00 0.00 C ATOM 74 CG TYR A 104 12.293 -9.859 -0.643 1.00 0.00 C ATOM 75 CD1 TYR A 104 12.894 -9.181 0.410 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.292 -10.775 -0.347 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.510 -9.408 1.718 1.00 0.00 C ATOM 78 CE2 TYR A 104 10.900 -11.007 0.958 1.00 0.00 C ATOM 79 CZ TYR A 104 11.512 -10.322 1.986 1.00 0.00 C ATOM 80 OH TYR A 104 11.126 -10.552 3.287 1.00 0.00 O ATOM 0 H TYR A 104 10.598 -8.838 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 104 12.702 -7.490 -1.704 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.168 -10.280 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.775 -9.852 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.675 -8.464 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.812 -11.315 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.988 -8.873 2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.118 -11.721 1.171 1.00 0.00 H new ATOM 0 HH TYR A 104 10.412 -11.223 3.303 1.00 0.00 H new ATOM 90 N THR A 105 13.501 -6.554 -4.040 1.00 0.00 N ATOM 91 CA THR A 105 14.367 -6.103 -5.121 1.00 0.00 C ATOM 92 C THR A 105 15.720 -5.646 -4.588 1.00 0.00 C ATOM 93 O THR A 105 15.797 -4.742 -3.755 1.00 0.00 O ATOM 94 CB THR A 105 13.723 -4.949 -5.912 1.00 0.00 C ATOM 95 OG1 THR A 105 13.873 -3.719 -5.194 1.00 0.00 O ATOM 96 CG2 THR A 105 12.247 -5.220 -6.161 1.00 0.00 C ATOM 0 H THR A 105 12.959 -5.812 -3.597 1.00 0.00 H new ATOM 0 HA THR A 105 14.511 -6.954 -5.787 1.00 0.00 H new ATOM 0 HB THR A 105 14.229 -4.872 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.333 -3.890 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.814 -4.391 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.138 -6.141 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.730 -5.322 -5.207 1.00 0.00 H new ATOM 104 N CYS A 106 16.785 -6.275 -5.072 1.00 0.00 N ATOM 105 CA CYS A 106 18.136 -5.933 -4.645 1.00 0.00 C ATOM 106 C CYS A 106 18.667 -4.734 -5.425 1.00 0.00 C ATOM 107 O CYS A 106 17.948 -4.130 -6.222 1.00 0.00 O ATOM 108 CB CYS A 106 19.071 -7.130 -4.830 1.00 0.00 C ATOM 109 SG CYS A 106 19.021 -7.861 -6.498 1.00 0.00 S ATOM 0 H CYS A 106 16.738 -7.025 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 106 18.099 -5.669 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.092 -6.817 -4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 106 18.811 -7.897 -4.101 1.00 0.00 H new ATOM 0 HG CYS A 106 18.069 -7.305 -7.187 1.00 0.00 H new ATOM 276 N ILE A 118 13.878 -5.558 0.781 1.00 0.00 N ATOM 277 CA ILE A 118 12.542 -4.976 0.757 1.00 0.00 C ATOM 278 C ILE A 118 12.557 -3.590 0.121 1.00 0.00 C ATOM 279 O ILE A 118 13.220 -2.676 0.613 1.00 0.00 O ATOM 280 CB ILE A 118 11.948 -4.871 2.175 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.874 -6.255 2.823 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.570 -4.228 2.126 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.265 -6.241 4.208 1.00 0.00 C ATOM 0 HA ILE A 118 11.919 -5.641 0.159 1.00 0.00 H new ATOM 0 HB ILE A 118 12.599 -4.241 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.288 -6.916 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.878 -6.675 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.164 -4.161 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.650 -3.228 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.908 -4.834 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.244 -7.255 4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.863 -5.606 4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.248 -5.851 4.155 1.00 0.00 H new ATOM 295 N THR A 119 11.821 -3.440 -0.975 1.00 0.00 N ATOM 296 CA THR A 119 11.749 -2.166 -1.679 1.00 0.00 C ATOM 297 C THR A 119 10.311 -1.826 -2.055 1.00 0.00 C ATOM 298 O THR A 119 9.517 -2.711 -2.374 1.00 0.00 O ATOM 299 CB THR A 119 12.611 -2.180 -2.955 1.00 0.00 C ATOM 300 OG1 THR A 119 13.999 -2.240 -2.608 1.00 0.00 O ATOM 301 CG2 THR A 119 12.348 -0.942 -3.800 1.00 0.00 C ATOM 0 H THR A 119 11.266 -4.186 -1.395 1.00 0.00 H new ATOM 0 HA THR A 119 12.133 -1.407 -0.998 1.00 0.00 H new ATOM 0 HB THR A 119 12.344 -3.062 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.092 -2.244 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.968 -0.974 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.297 -0.914 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.590 -0.049 -3.223 1.00 0.00 H new ATOM 309 N ARG A 120 9.983 -0.539 -2.016 1.00 0.00 N ATOM 310 CA ARG A 120 8.639 -0.082 -2.352 1.00 0.00 C ATOM 311 C ARG A 120 8.519 0.198 -3.847 1.00 0.00 C ATOM 312 O ARG A 120 9.276 0.994 -4.404 1.00 0.00 O ATOM 313 CB ARG A 120 8.292 1.177 -1.556 1.00 0.00 C ATOM 314 CG ARG A 120 8.618 1.071 -0.076 1.00 0.00 C ATOM 315 CD ARG A 120 9.476 2.237 0.390 1.00 0.00 C ATOM 316 NE ARG A 120 10.694 2.371 -0.404 1.00 0.00 N ATOM 317 CZ ARG A 120 11.774 3.024 0.012 1.00 0.00 C ATOM 318 NH1 ARG A 120 11.786 3.599 1.206 1.00 0.00 N ATOM 319 NH2 ARG A 120 12.844 3.103 -0.768 1.00 0.00 N ATOM 0 H ARG A 120 10.629 0.206 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 120 7.936 -0.873 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.832 2.024 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.229 1.388 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.693 1.045 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.140 0.134 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.899 3.160 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.740 2.097 1.438 1.00 0.00 H new ATOM 0 HE ARG A 120 10.717 1.940 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.965 3.541 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.616 4.100 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.838 2.662 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.673 3.604 -0.448 1.00 0.00 H new ATOM 333 N CYS A 121 7.563 -0.462 -4.492 1.00 0.00 N ATOM 334 CA CYS A 121 7.342 -0.285 -5.923 1.00 0.00 C ATOM 335 C CYS A 121 6.516 0.969 -6.195 1.00 0.00 C ATOM 336 O CYS A 121 6.194 1.725 -5.279 1.00 0.00 O ATOM 337 CB CYS A 121 6.637 -1.511 -6.507 1.00 0.00 C ATOM 338 SG CYS A 121 7.667 -3.013 -6.546 1.00 0.00 S ATOM 0 H CYS A 121 6.928 -1.125 -4.046 1.00 0.00 H new ATOM 0 HA CYS A 121 8.313 -0.170 -6.404 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.740 -1.714 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.311 -1.281 -7.521 1.00 0.00 H new ATOM 343 N LYS A 122 6.176 1.183 -7.462 1.00 0.00 N ATOM 344 CA LYS A 122 5.387 2.343 -7.857 1.00 0.00 C ATOM 345 C LYS A 122 3.903 2.105 -7.597 1.00 0.00 C ATOM 346 O LYS A 122 3.450 0.971 -7.439 1.00 0.00 O ATOM 347 CB LYS A 122 5.612 2.659 -9.337 1.00 0.00 C ATOM 348 CG LYS A 122 7.014 2.332 -9.822 1.00 0.00 C ATOM 349 CD LYS A 122 8.072 3.017 -8.973 1.00 0.00 C ATOM 350 CE LYS A 122 9.374 3.193 -9.739 1.00 0.00 C ATOM 351 NZ LYS A 122 10.273 4.183 -9.084 1.00 0.00 N ATOM 0 H LYS A 122 6.435 0.567 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 122 5.712 3.193 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.891 2.100 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.415 3.717 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.167 1.253 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.122 2.643 -10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.705 3.991 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.255 2.429 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.884 2.233 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.156 3.518 -10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.149 4.275 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.796 5.106 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 10.502 3.861 -8.122 1.00 0.00 H new ATOM 365 N PRO A 123 3.126 3.197 -7.554 1.00 0.00 N ATOM 366 CA PRO A 123 1.681 3.133 -7.316 1.00 0.00 C ATOM 367 C PRO A 123 0.926 2.523 -8.493 1.00 0.00 C ATOM 368 O PRO A 123 -0.128 1.914 -8.317 1.00 0.00 O ATOM 369 CB PRO A 123 1.286 4.600 -7.130 1.00 0.00 C ATOM 370 CG PRO A 123 2.325 5.369 -7.870 1.00 0.00 C ATOM 371 CD PRO A 123 3.598 4.580 -7.735 1.00 0.00 C ATOM 0 HA PRO A 123 1.436 2.500 -6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.290 4.795 -7.528 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.267 4.874 -6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.049 5.489 -8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.440 6.370 -7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.227 4.677 -8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.191 4.917 -6.885 1.00 0.00 H new ATOM 379 N GLU A 124 1.475 2.691 -9.692 1.00 0.00 N ATOM 380 CA GLU A 124 0.852 2.156 -10.898 1.00 0.00 C ATOM 381 C GLU A 124 1.064 0.648 -10.997 1.00 0.00 C ATOM 382 O GLU A 124 0.239 -0.069 -11.563 1.00 0.00 O ATOM 383 CB GLU A 124 1.419 2.846 -12.140 1.00 0.00 C ATOM 384 CG GLU A 124 1.689 4.328 -11.944 1.00 0.00 C ATOM 385 CD GLU A 124 0.474 5.080 -11.436 1.00 0.00 C ATOM 386 OE1 GLU A 124 -0.655 4.716 -11.828 1.00 0.00 O ATOM 387 OE2 GLU A 124 0.651 6.031 -10.647 1.00 0.00 O ATOM 0 H GLU A 124 2.348 3.192 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.219 2.351 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.347 2.351 -12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.720 2.719 -12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.511 4.454 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.012 4.763 -12.890 1.00 0.00 H new ATOM 394 N ASP A 125 2.176 0.176 -10.445 1.00 0.00 N ATOM 395 CA ASP A 125 2.498 -1.246 -10.471 1.00 0.00 C ATOM 396 C ASP A 125 1.772 -1.988 -9.353 1.00 0.00 C ATOM 397 O ASP A 125 1.476 -1.417 -8.303 1.00 0.00 O ATOM 398 CB ASP A 125 4.008 -1.451 -10.338 1.00 0.00 C ATOM 399 CG ASP A 125 4.715 -1.434 -11.679 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.284 -0.668 -12.566 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.698 -2.187 -11.842 1.00 0.00 O ATOM 0 H ASP A 125 2.870 0.757 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 125 2.166 -1.651 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.423 -0.669 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.200 -2.402 -9.841 1.00 0.00 H new ATOM 406 N THR A 126 1.484 -3.265 -9.587 1.00 0.00 N ATOM 407 CA THR A 126 0.790 -4.085 -8.602 1.00 0.00 C ATOM 408 C THR A 126 1.270 -5.531 -8.654 1.00 0.00 C ATOM 409 O THR A 126 0.626 -6.428 -8.112 1.00 0.00 O ATOM 410 CB THR A 126 -0.734 -4.053 -8.819 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.081 -4.828 -9.971 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.226 -2.624 -8.995 1.00 0.00 C ATOM 0 H THR A 126 1.721 -3.753 -10.451 1.00 0.00 H new ATOM 0 HA THR A 126 1.019 -3.665 -7.623 1.00 0.00 H new ATOM 0 HB THR A 126 -1.213 -4.479 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.052 -4.804 -10.101 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.305 -2.627 -9.147 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.986 -2.044 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.739 -2.176 -9.861 1.00 0.00 H new ATOM 420 N ALA A 127 2.405 -5.750 -9.310 1.00 0.00 N ATOM 421 CA ALA A 127 2.972 -7.087 -9.431 1.00 0.00 C ATOM 422 C ALA A 127 4.496 -7.040 -9.427 1.00 0.00 C ATOM 423 O ALA A 127 5.098 -6.054 -9.855 1.00 0.00 O ATOM 424 CB ALA A 127 2.466 -7.763 -10.697 1.00 0.00 C ATOM 0 H ALA A 127 2.950 -5.018 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 127 2.651 -7.670 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.898 -8.761 -10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.379 -7.840 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.758 -7.173 -11.566 1.00 0.00 H new ATOM 430 N CYS A 128 5.115 -8.110 -8.941 1.00 0.00 N ATOM 431 CA CYS A 128 6.570 -8.190 -8.880 1.00 0.00 C ATOM 432 C CYS A 128 7.112 -9.083 -9.992 1.00 0.00 C ATOM 433 O CYS A 128 6.395 -9.925 -10.532 1.00 0.00 O ATOM 434 CB CYS A 128 7.015 -8.727 -7.518 1.00 0.00 C ATOM 435 SG CYS A 128 6.281 -7.852 -6.098 1.00 0.00 S ATOM 0 H CYS A 128 4.632 -8.934 -8.583 1.00 0.00 H new ATOM 0 HA CYS A 128 6.971 -7.185 -9.016 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.756 -9.784 -7.454 1.00 0.00 H new ATOM 0 HB3 CYS A 128 8.101 -8.661 -7.450 1.00 0.00 H new ATOM 440 N MET A 129 8.383 -8.893 -10.329 1.00 0.00 N ATOM 441 CA MET A 129 9.023 -9.682 -11.376 1.00 0.00 C ATOM 442 C MET A 129 10.412 -10.138 -10.941 1.00 0.00 C ATOM 443 O MET A 129 11.121 -9.419 -10.236 1.00 0.00 O ATOM 444 CB MET A 129 9.121 -8.869 -12.668 1.00 0.00 C ATOM 445 CG MET A 129 8.846 -9.684 -13.922 1.00 0.00 C ATOM 446 SD MET A 129 9.385 -8.849 -15.426 1.00 0.00 S ATOM 447 CE MET A 129 8.093 -9.337 -16.566 1.00 0.00 C ATOM 0 H MET A 129 8.991 -8.200 -9.893 1.00 0.00 H new ATOM 0 HA MET A 129 8.411 -10.565 -11.557 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.414 -8.041 -12.621 1.00 0.00 H new ATOM 0 HB3 MET A 129 10.118 -8.434 -12.739 1.00 0.00 H new ATOM 0 HG2 MET A 129 9.353 -10.646 -13.844 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.778 -9.891 -13.989 1.00 0.00 H new ATOM 0 HE1 MET A 129 8.286 -8.898 -17.545 1.00 0.00 H new ATOM 0 HE2 MET A 129 8.076 -10.423 -16.653 1.00 0.00 H new ATOM 0 HE3 MET A 129 7.129 -8.987 -16.195 1.00 0.00 H new ATOM 457 N THR A 130 10.796 -11.338 -11.367 1.00 0.00 N ATOM 458 CA THR A 130 12.099 -11.890 -11.020 1.00 0.00 C ATOM 459 C THR A 130 12.714 -12.631 -12.202 1.00 0.00 C ATOM 460 O THR A 130 12.120 -13.567 -12.739 1.00 0.00 O ATOM 461 CB THR A 130 12.001 -12.852 -9.821 1.00 0.00 C ATOM 462 OG1 THR A 130 10.922 -12.458 -8.965 1.00 0.00 O ATOM 463 CG2 THR A 130 13.301 -12.868 -9.032 1.00 0.00 C ATOM 0 H THR A 130 10.223 -11.945 -11.953 1.00 0.00 H new ATOM 0 HA THR A 130 12.737 -11.048 -10.750 1.00 0.00 H new ATOM 0 HB THR A 130 11.814 -13.856 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.068 -12.661 -9.401 1.00 0.00 H new ATOM 0 HG21 THR A 130 13.207 -13.554 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 130 14.115 -13.196 -9.679 1.00 0.00 H new ATOM 0 HG23 THR A 130 13.514 -11.866 -8.661 1.00 0.00 H new ATOM 471 N THR A 131 13.909 -12.208 -12.603 1.00 0.00 N ATOM 472 CA THR A 131 14.604 -12.831 -13.722 1.00 0.00 C ATOM 473 C THR A 131 15.672 -13.803 -13.233 1.00 0.00 C ATOM 474 O THR A 131 16.610 -13.412 -12.538 1.00 0.00 O ATOM 475 CB THR A 131 15.263 -11.777 -14.632 1.00 0.00 C ATOM 476 OG1 THR A 131 14.454 -10.596 -14.679 1.00 0.00 O ATOM 477 CG2 THR A 131 15.458 -12.322 -16.039 1.00 0.00 C ATOM 0 H THR A 131 14.415 -11.436 -12.169 1.00 0.00 H new ATOM 0 HA THR A 131 13.854 -13.377 -14.295 1.00 0.00 H new ATOM 0 HB THR A 131 16.240 -11.531 -14.217 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.880 -9.930 -15.258 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.925 -11.560 -16.663 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.098 -13.203 -16.002 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.491 -12.594 -16.461 1.00 0.00 H new ATOM 747 N ARG A 149 15.336 -8.938 -9.343 1.00 0.00 N ATOM 748 CA ARG A 149 13.918 -8.751 -9.057 1.00 0.00 C ATOM 749 C ARG A 149 13.536 -7.277 -9.146 1.00 0.00 C ATOM 750 O ARG A 149 14.189 -6.419 -8.553 1.00 0.00 O ATOM 751 CB ARG A 149 13.581 -9.294 -7.667 1.00 0.00 C ATOM 752 CG ARG A 149 12.162 -9.826 -7.549 1.00 0.00 C ATOM 753 CD ARG A 149 11.755 -10.009 -6.095 1.00 0.00 C ATOM 754 NE ARG A 149 11.140 -11.312 -5.859 1.00 0.00 N ATOM 755 CZ ARG A 149 9.957 -11.667 -6.349 1.00 0.00 C ATOM 756 NH1 ARG A 149 9.266 -10.820 -7.098 1.00 0.00 N ATOM 757 NH2 ARG A 149 9.464 -12.871 -6.089 1.00 0.00 N ATOM 0 HA ARG A 149 13.346 -9.302 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.281 -10.092 -7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.726 -8.502 -6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.472 -9.137 -8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 149 12.085 -10.779 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.632 -9.901 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.056 -9.222 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 149 11.647 -11.987 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 149 9.642 -9.893 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 149 8.358 -11.095 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 149 9.993 -13.525 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 149 8.556 -13.142 -6.466 1.00 0.00 H new ATOM 771 N SER A 150 12.473 -6.991 -9.891 1.00 0.00 N ATOM 772 CA SER A 150 12.005 -5.620 -10.061 1.00 0.00 C ATOM 773 C SER A 150 10.482 -5.568 -10.112 1.00 0.00 C ATOM 774 O SER A 150 9.817 -6.599 -10.223 1.00 0.00 O ATOM 775 CB SER A 150 12.591 -5.014 -11.338 1.00 0.00 C ATOM 776 OG SER A 150 12.766 -3.614 -11.204 1.00 0.00 O ATOM 0 H SER A 150 11.920 -7.690 -10.386 1.00 0.00 H new ATOM 0 HA SER A 150 12.342 -5.038 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.549 -5.484 -11.561 1.00 0.00 H new ATOM 0 HB3 SER A 150 11.930 -5.222 -12.180 1.00 0.00 H new ATOM 0 HG SER A 150 13.143 -3.251 -12.032 1.00 0.00 H new ATOM 782 N CYS A 151 9.934 -4.360 -10.030 1.00 0.00 N ATOM 783 CA CYS A 151 8.489 -4.171 -10.066 1.00 0.00 C ATOM 784 C CYS A 151 7.958 -4.307 -11.490 1.00 0.00 C ATOM 785 O CYS A 151 8.670 -4.038 -12.458 1.00 0.00 O ATOM 786 CB CYS A 151 8.119 -2.798 -9.501 1.00 0.00 C ATOM 787 SG CYS A 151 9.038 -2.341 -7.996 1.00 0.00 S ATOM 0 H CYS A 151 10.470 -3.497 -9.938 1.00 0.00 H new ATOM 0 HA CYS A 151 8.031 -4.945 -9.451 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.297 -2.042 -10.266 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.052 -2.783 -9.281 1.00 0.00 H new ATOM 792 N SER A 152 6.702 -4.726 -11.610 1.00 0.00 N ATOM 793 CA SER A 152 6.076 -4.901 -12.916 1.00 0.00 C ATOM 794 C SER A 152 4.575 -4.644 -12.837 1.00 0.00 C ATOM 795 O SER A 152 3.929 -4.973 -11.842 1.00 0.00 O ATOM 796 CB SER A 152 6.336 -6.313 -13.444 1.00 0.00 C ATOM 797 OG SER A 152 5.660 -6.531 -14.670 1.00 0.00 O ATOM 0 H SER A 152 6.098 -4.950 -10.819 1.00 0.00 H new ATOM 0 HA SER A 152 6.515 -4.177 -13.602 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.407 -6.461 -13.584 1.00 0.00 H new ATOM 0 HB3 SER A 152 6.007 -7.046 -12.708 1.00 0.00 H new ATOM 0 HG SER A 152 5.843 -7.440 -14.988 1.00 0.00 H new ATOM 803 N SER A 153 4.026 -4.053 -13.893 1.00 0.00 N ATOM 804 CA SER A 153 2.601 -3.747 -13.944 1.00 0.00 C ATOM 805 C SER A 153 1.838 -4.836 -14.692 1.00 0.00 C ATOM 806 O SER A 153 0.691 -4.641 -15.096 1.00 0.00 O ATOM 807 CB SER A 153 2.371 -2.393 -14.618 1.00 0.00 C ATOM 808 OG SER A 153 3.064 -2.314 -15.851 1.00 0.00 O ATOM 0 H SER A 153 4.547 -3.776 -14.725 1.00 0.00 H new ATOM 0 HA SER A 153 2.228 -3.703 -12.921 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.305 -2.243 -14.786 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.705 -1.593 -13.957 1.00 0.00 H new ATOM 0 HG SER A 153 2.900 -1.440 -16.263 1.00 0.00 H new ATOM 814 N SER A 154 2.483 -5.984 -14.873 1.00 0.00 N ATOM 815 CA SER A 154 1.868 -7.104 -15.576 1.00 0.00 C ATOM 816 C SER A 154 2.697 -8.373 -15.406 1.00 0.00 C ATOM 817 O SER A 154 3.664 -8.599 -16.135 1.00 0.00 O ATOM 818 CB SER A 154 1.713 -6.777 -17.062 1.00 0.00 C ATOM 819 OG SER A 154 2.839 -6.068 -17.549 1.00 0.00 O ATOM 0 H SER A 154 3.431 -6.163 -14.543 1.00 0.00 H new ATOM 0 HA SER A 154 0.882 -7.275 -15.144 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.587 -7.699 -17.629 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.812 -6.183 -17.215 1.00 0.00 H new ATOM 0 HG SER A 154 3.658 -6.547 -17.305 1.00 0.00 H new ATOM 825 N CYS A 155 2.313 -9.199 -14.439 1.00 0.00 N ATOM 826 CA CYS A 155 3.019 -10.446 -14.171 1.00 0.00 C ATOM 827 C CYS A 155 2.855 -11.424 -15.331 1.00 0.00 C ATOM 828 O CYS A 155 1.754 -11.901 -15.604 1.00 0.00 O ATOM 829 CB CYS A 155 2.504 -11.081 -12.878 1.00 0.00 C ATOM 830 SG CYS A 155 2.736 -12.885 -12.792 1.00 0.00 S ATOM 0 H CYS A 155 1.515 -9.027 -13.827 1.00 0.00 H new ATOM 0 HA CYS A 155 4.079 -10.217 -14.058 1.00 0.00 H new ATOM 0 HB2 CYS A 155 3.012 -10.619 -12.032 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.443 -10.857 -12.773 1.00 0.00 H new ATOM 1006 N ILE A 169 10.991 -16.490 -15.371 1.00 0.00 N ATOM 1007 CA ILE A 169 10.359 -15.243 -14.958 1.00 0.00 C ATOM 1008 C ILE A 169 9.329 -15.487 -13.860 1.00 0.00 C ATOM 1009 O ILE A 169 8.207 -15.916 -14.130 1.00 0.00 O ATOM 1010 CB ILE A 169 9.671 -14.541 -16.143 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.701 -14.178 -17.216 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.934 -13.298 -15.668 1.00 0.00 C ATOM 1013 CD1 ILE A 169 10.082 -13.787 -18.540 1.00 0.00 C ATOM 0 HA ILE A 169 11.151 -14.600 -14.575 1.00 0.00 H new ATOM 0 HB ILE A 169 8.944 -15.226 -16.579 1.00 0.00 H new ATOM 0 HG12 ILE A 169 11.316 -13.354 -16.854 1.00 0.00 H new ATOM 0 HG13 ILE A 169 11.366 -15.027 -17.372 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.453 -12.813 -16.518 1.00 0.00 H new ATOM 0 HG22 ILE A 169 8.178 -13.581 -14.936 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.642 -12.608 -15.210 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.870 -13.543 -19.252 1.00 0.00 H new ATOM 0 HD12 ILE A 169 9.490 -14.618 -18.924 1.00 0.00 H new ATOM 0 HD13 ILE A 169 9.439 -12.918 -18.399 1.00 0.00 H new ATOM 1025 N PHE A 170 9.717 -15.209 -12.620 1.00 0.00 N ATOM 1026 CA PHE A 170 8.828 -15.397 -11.480 1.00 0.00 C ATOM 1027 C PHE A 170 8.158 -14.082 -11.090 1.00 0.00 C ATOM 1028 O PHE A 170 8.827 -13.117 -10.722 1.00 0.00 O ATOM 1029 CB PHE A 170 9.604 -15.960 -10.287 1.00 0.00 C ATOM 1030 CG PHE A 170 9.625 -17.461 -10.240 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.894 -18.200 -11.381 1.00 0.00 C ATOM 1032 CD2 PHE A 170 9.374 -18.134 -9.055 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.914 -19.581 -11.341 1.00 0.00 C ATOM 1034 CE2 PHE A 170 9.393 -19.515 -9.009 1.00 0.00 C ATOM 1035 CZ PHE A 170 9.662 -20.239 -10.154 1.00 0.00 C ATOM 0 H PHE A 170 10.642 -14.853 -12.379 1.00 0.00 H new ATOM 0 HA PHE A 170 8.054 -16.108 -11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 170 10.629 -15.591 -10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 170 9.162 -15.582 -9.365 1.00 0.00 H new ATOM 0 HD1 PHE A 170 10.090 -17.690 -12.313 1.00 0.00 H new ATOM 0 HD2 PHE A 170 9.161 -17.573 -8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 170 10.127 -20.145 -12.237 1.00 0.00 H new ATOM 0 HE2 PHE A 170 9.198 -20.028 -8.079 1.00 0.00 H new ATOM 0 HZ PHE A 170 9.675 -21.318 -10.121 1.00 0.00 H new ATOM 1045 N CYS A 171 6.832 -14.053 -11.174 1.00 0.00 N ATOM 1046 CA CYS A 171 6.070 -12.859 -10.831 1.00 0.00 C ATOM 1047 C CYS A 171 4.905 -13.203 -9.908 1.00 0.00 C ATOM 1048 O CYS A 171 4.462 -14.351 -9.851 1.00 0.00 O ATOM 1049 CB CYS A 171 5.547 -12.181 -12.100 1.00 0.00 C ATOM 1050 SG CYS A 171 4.652 -13.299 -13.225 1.00 0.00 S ATOM 0 H CYS A 171 6.263 -14.844 -11.477 1.00 0.00 H new ATOM 0 HA CYS A 171 6.735 -12.172 -10.307 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.885 -11.363 -11.816 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.387 -11.740 -12.636 1.00 0.00 H new ATOM 1055 N CYS A 172 4.412 -12.201 -9.188 1.00 0.00 N ATOM 1056 CA CYS A 172 3.299 -12.396 -8.267 1.00 0.00 C ATOM 1057 C CYS A 172 2.486 -11.113 -8.117 1.00 0.00 C ATOM 1058 O CYS A 172 2.749 -10.116 -8.789 1.00 0.00 O ATOM 1059 CB CYS A 172 3.814 -12.850 -6.899 1.00 0.00 C ATOM 1060 SG CYS A 172 5.301 -11.963 -6.334 1.00 0.00 S ATOM 0 H CYS A 172 4.766 -11.245 -9.225 1.00 0.00 H new ATOM 0 HA CYS A 172 2.651 -13.170 -8.678 1.00 0.00 H new ATOM 0 HB2 CYS A 172 3.022 -12.717 -6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 172 4.034 -13.917 -6.941 1.00 0.00 H new ATOM 1065 N PHE A 173 1.497 -11.147 -7.230 1.00 0.00 N ATOM 1066 CA PHE A 173 0.645 -9.987 -6.991 1.00 0.00 C ATOM 1067 C PHE A 173 0.485 -9.729 -5.496 1.00 0.00 C ATOM 1068 O PHE A 173 -0.542 -9.217 -5.050 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.728 -10.196 -7.634 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.719 -10.047 -9.128 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.783 -8.792 -9.713 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.648 -11.161 -9.949 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.775 -8.651 -11.088 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -0.639 -11.026 -11.324 1.00 0.00 C ATOM 1075 CZ PHE A 173 -0.704 -9.770 -11.894 1.00 0.00 C ATOM 0 H PHE A 173 1.266 -11.964 -6.665 1.00 0.00 H new ATOM 0 HA PHE A 173 1.122 -9.117 -7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.092 -11.191 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.432 -9.480 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.840 -7.914 -9.087 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.599 -12.146 -9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.824 -7.667 -11.531 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.581 -11.902 -11.953 1.00 0.00 H new ATOM 0 HZ PHE A 173 -0.699 -9.663 -12.969 1.00 0.00 H new ATOM 1085 N ARG A 174 1.508 -10.086 -4.727 1.00 0.00 N ATOM 1086 CA ARG A 174 1.481 -9.895 -3.282 1.00 0.00 C ATOM 1087 C ARG A 174 2.843 -9.436 -2.769 1.00 0.00 C ATOM 1088 O ARG A 174 3.882 -9.906 -3.232 1.00 0.00 O ATOM 1089 CB ARG A 174 1.071 -11.192 -2.582 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.403 -11.526 -2.734 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.604 -12.828 -3.494 1.00 0.00 C ATOM 1092 NE ARG A 174 -0.433 -13.996 -2.633 1.00 0.00 N ATOM 1093 CZ ARG A 174 -0.777 -15.228 -2.991 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -1.306 -15.453 -4.186 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -0.590 -16.240 -2.152 1.00 0.00 N ATOM 0 H ARG A 174 2.366 -10.509 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 174 0.747 -9.121 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.664 -12.014 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.310 -11.114 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.863 -11.604 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.909 -10.715 -3.259 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -1.603 -12.843 -3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 174 0.106 -12.879 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 174 -0.028 -13.858 -1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.450 -14.679 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -1.569 -16.401 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -0.182 -16.071 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -0.854 -17.186 -2.427 1.00 0.00 H new ATOM 1109 N ASP A 175 2.829 -8.515 -1.811 1.00 0.00 N ATOM 1110 CA ASP A 175 4.062 -7.992 -1.235 1.00 0.00 C ATOM 1111 C ASP A 175 4.915 -9.120 -0.662 1.00 0.00 C ATOM 1112 O ASP A 175 4.452 -9.901 0.171 1.00 0.00 O ATOM 1113 CB ASP A 175 3.746 -6.970 -0.142 1.00 0.00 C ATOM 1114 CG ASP A 175 2.735 -5.934 -0.594 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.567 -6.309 -0.827 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.112 -4.750 -0.715 1.00 0.00 O ATOM 0 H ASP A 175 1.977 -8.115 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 175 4.625 -7.501 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.363 -7.489 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.666 -6.469 0.160 1.00 0.00 H new ATOM 1121 N LEU A 176 6.161 -9.200 -1.114 1.00 0.00 N ATOM 1122 CA LEU A 176 7.080 -10.234 -0.647 1.00 0.00 C ATOM 1123 C LEU A 176 6.467 -11.621 -0.810 1.00 0.00 C ATOM 1124 O LEU A 176 6.648 -12.495 0.038 1.00 0.00 O ATOM 1125 CB LEU A 176 7.445 -9.994 0.819 1.00 0.00 C ATOM 1126 CG LEU A 176 7.606 -8.533 1.240 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.058 -8.442 2.689 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.591 -7.819 0.326 1.00 0.00 C ATOM 0 H LEU A 176 6.559 -8.562 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 176 7.984 -10.183 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 176 6.676 -10.448 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.377 -10.517 1.031 1.00 0.00 H new ATOM 0 HG LEU A 176 6.637 -8.041 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.167 -7.395 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.316 -8.915 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.015 -8.951 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.693 -6.780 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.562 -8.312 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.225 -7.853 -0.700 1.00 0.00 H new ATOM 1140 N CYS A 177 5.742 -11.817 -1.906 1.00 0.00 N ATOM 1141 CA CYS A 177 5.103 -13.098 -2.183 1.00 0.00 C ATOM 1142 C CYS A 177 6.081 -14.250 -1.970 1.00 0.00 C ATOM 1143 O CYS A 177 5.679 -15.366 -1.642 1.00 0.00 O ATOM 1144 CB CYS A 177 4.568 -13.126 -3.616 1.00 0.00 C ATOM 1145 SG CYS A 177 5.851 -13.383 -4.883 1.00 0.00 S ATOM 0 H CYS A 177 5.582 -11.104 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 177 4.270 -13.218 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.825 -13.920 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 177 4.055 -12.186 -3.819 1.00 0.00 H new