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= -0.424 USER MOD Set 1.2: A 119 THR OG1 : rot 127:sc= 1.32 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 27:sc= 0.0807 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 -169:sc= 0 (180deg=-0.0909) USER MOD Single : A 130 THR OG1 : rot 76:sc= -0.538 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 5:sc= 0.268 USER MOD Single : A 152 SER OG : rot 180:sc= -0.0654 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 3.195 -2.172 -2.677 1.00 0.00 N ATOM 19 CA LEU A 101 3.733 -3.474 -3.058 1.00 0.00 C ATOM 20 C LEU A 101 5.238 -3.533 -2.817 1.00 0.00 C ATOM 21 O LEU A 101 5.993 -2.707 -3.331 1.00 0.00 O ATOM 22 CB LEU A 101 3.429 -3.763 -4.529 1.00 0.00 C ATOM 23 CG LEU A 101 3.198 -5.231 -4.890 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.535 -5.481 -6.352 1.00 0.00 C ATOM 25 CD2 LEU A 101 4.022 -6.139 -3.988 1.00 0.00 C ATOM 0 HA LEU A 101 3.254 -4.233 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.543 -3.195 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.256 -3.387 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 101 2.144 -5.461 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.364 -6.531 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.901 -4.858 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.581 -5.233 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.845 -7.180 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.080 -5.908 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.732 -5.981 -2.949 1.00 0.00 H new ATOM 37 N LYS A 102 5.669 -4.516 -2.033 1.00 0.00 N ATOM 38 CA LYS A 102 7.084 -4.686 -1.725 1.00 0.00 C ATOM 39 C LYS A 102 7.584 -6.046 -2.202 1.00 0.00 C ATOM 40 O LYS A 102 7.014 -7.083 -1.862 1.00 0.00 O ATOM 41 CB LYS A 102 7.321 -4.543 -0.220 1.00 0.00 C ATOM 42 CG LYS A 102 7.500 -3.104 0.233 1.00 0.00 C ATOM 43 CD LYS A 102 6.888 -2.871 1.604 1.00 0.00 C ATOM 44 CE LYS A 102 7.940 -2.930 2.701 1.00 0.00 C ATOM 45 NZ LYS A 102 7.853 -4.194 3.485 1.00 0.00 N ATOM 0 H LYS A 102 5.058 -5.208 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 102 7.640 -3.909 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.479 -4.982 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.207 -5.115 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.562 -2.860 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.038 -2.433 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.395 -1.899 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.121 -3.622 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.932 -2.845 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.816 -2.078 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.586 -4.196 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.915 -4.263 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.997 -5.006 2.851 1.00 0.00 H new ATOM 59 N CYS A 103 8.654 -6.034 -2.991 1.00 0.00 N ATOM 60 CA CYS A 103 9.232 -7.266 -3.514 1.00 0.00 C ATOM 61 C CYS A 103 10.744 -7.289 -3.304 1.00 0.00 C ATOM 62 O CYS A 103 11.395 -6.244 -3.287 1.00 0.00 O ATOM 63 CB CYS A 103 8.911 -7.413 -5.002 1.00 0.00 C ATOM 64 SG CYS A 103 7.180 -7.037 -5.429 1.00 0.00 S ATOM 0 H CYS A 103 9.138 -5.185 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 103 8.794 -8.103 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.566 -6.753 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.138 -8.433 -5.313 1.00 0.00 H new ATOM 69 N TYR A 104 11.295 -8.487 -3.145 1.00 0.00 N ATOM 70 CA TYR A 104 12.729 -8.647 -2.934 1.00 0.00 C ATOM 71 C TYR A 104 13.507 -8.310 -4.203 1.00 0.00 C ATOM 72 O TYR A 104 13.841 -9.193 -4.994 1.00 0.00 O ATOM 73 CB TYR A 104 13.045 -10.077 -2.493 1.00 0.00 C ATOM 74 CG TYR A 104 12.894 -10.299 -1.005 1.00 0.00 C ATOM 75 CD1 TYR A 104 13.881 -9.888 -0.118 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.765 -10.920 -0.486 1.00 0.00 C ATOM 77 CE1 TYR A 104 13.749 -10.089 1.242 1.00 0.00 C ATOM 78 CE2 TYR A 104 11.622 -11.124 0.873 1.00 0.00 C ATOM 79 CZ TYR A 104 12.617 -10.707 1.733 1.00 0.00 C ATOM 80 OH TYR A 104 12.480 -10.910 3.087 1.00 0.00 O ATOM 0 H TYR A 104 10.770 -9.362 -3.158 1.00 0.00 H new ATOM 0 HA TYR A 104 13.034 -7.956 -2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.387 -10.766 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 104 14.066 -10.322 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 104 14.767 -9.403 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.985 -11.249 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.527 -9.764 1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.737 -11.607 1.260 1.00 0.00 H new ATOM 0 HH TYR A 104 11.626 -11.356 3.266 1.00 0.00 H new ATOM 90 N THR A 105 13.793 -7.026 -4.390 1.00 0.00 N ATOM 91 CA THR A 105 14.531 -6.570 -5.562 1.00 0.00 C ATOM 92 C THR A 105 15.743 -5.739 -5.159 1.00 0.00 C ATOM 93 O THR A 105 15.649 -4.859 -4.303 1.00 0.00 O ATOM 94 CB THR A 105 13.638 -5.735 -6.499 1.00 0.00 C ATOM 95 OG1 THR A 105 13.683 -4.356 -6.117 1.00 0.00 O ATOM 96 CG2 THR A 105 12.200 -6.230 -6.459 1.00 0.00 C ATOM 0 H THR A 105 13.525 -6.283 -3.745 1.00 0.00 H new ATOM 0 HA THR A 105 14.865 -7.462 -6.092 1.00 0.00 H new ATOM 0 HB THR A 105 14.015 -5.843 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.114 -3.831 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.588 -5.625 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.165 -7.272 -6.777 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.815 -6.148 -5.443 1.00 0.00 H new ATOM 104 N CYS A 106 16.883 -6.022 -5.782 1.00 0.00 N ATOM 105 CA CYS A 106 18.115 -5.300 -5.489 1.00 0.00 C ATOM 106 C CYS A 106 18.158 -3.971 -6.237 1.00 0.00 C ATOM 107 O CYS A 106 17.450 -3.780 -7.227 1.00 0.00 O ATOM 108 CB CYS A 106 19.330 -6.150 -5.866 1.00 0.00 C ATOM 109 SG CYS A 106 19.276 -6.815 -7.561 1.00 0.00 S ATOM 0 H CYS A 106 16.978 -6.747 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 106 18.141 -5.095 -4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.231 -5.547 -5.752 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.411 -6.980 -5.164 1.00 0.00 H new ATOM 0 HG CYS A 106 18.565 -6.028 -8.313 1.00 0.00 H new ATOM 276 N ILE A 118 14.286 -5.640 0.323 1.00 0.00 N ATOM 277 CA ILE A 118 12.939 -5.097 0.443 1.00 0.00 C ATOM 278 C ILE A 118 12.816 -3.766 -0.291 1.00 0.00 C ATOM 279 O ILE A 118 13.146 -2.711 0.253 1.00 0.00 O ATOM 280 CB ILE A 118 12.542 -4.896 1.917 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.583 -6.230 2.665 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.158 -4.272 2.013 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.201 -6.117 4.125 1.00 0.00 C ATOM 0 HA ILE A 118 12.264 -5.823 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 118 13.258 -4.218 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.909 -6.933 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.587 -6.647 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.892 -4.136 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.159 -3.305 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.429 -4.927 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.252 -7.101 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.890 -5.439 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.186 -5.729 4.206 1.00 0.00 H new ATOM 295 N THR A 119 12.336 -3.821 -1.530 1.00 0.00 N ATOM 296 CA THR A 119 12.168 -2.620 -2.339 1.00 0.00 C ATOM 297 C THR A 119 10.693 -2.300 -2.547 1.00 0.00 C ATOM 298 O THR A 119 9.869 -3.201 -2.708 1.00 0.00 O ATOM 299 CB THR A 119 12.849 -2.769 -3.712 1.00 0.00 C ATOM 300 OG1 THR A 119 14.272 -2.805 -3.553 1.00 0.00 O ATOM 301 CG2 THR A 119 12.466 -1.620 -4.633 1.00 0.00 C ATOM 0 H THR A 119 12.057 -4.685 -1.995 1.00 0.00 H new ATOM 0 HA THR A 119 12.640 -1.802 -1.795 1.00 0.00 H new ATOM 0 HB THR A 119 12.511 -3.703 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.632 -3.598 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.959 -1.747 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.385 -1.613 -4.776 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.779 -0.676 -4.187 1.00 0.00 H new ATOM 309 N ARG A 120 10.365 -1.012 -2.544 1.00 0.00 N ATOM 310 CA ARG A 120 8.988 -0.573 -2.732 1.00 0.00 C ATOM 311 C ARG A 120 8.691 -0.335 -4.210 1.00 0.00 C ATOM 312 O ARG A 120 9.357 0.465 -4.867 1.00 0.00 O ATOM 313 CB ARG A 120 8.724 0.706 -1.935 1.00 0.00 C ATOM 314 CG ARG A 120 9.539 0.806 -0.657 1.00 0.00 C ATOM 315 CD ARG A 120 8.884 1.738 0.351 1.00 0.00 C ATOM 316 NE ARG A 120 9.745 2.867 0.692 1.00 0.00 N ATOM 317 CZ ARG A 120 10.755 2.787 1.551 1.00 0.00 C ATOM 318 NH1 ARG A 120 11.030 1.638 2.151 1.00 0.00 N ATOM 319 NH2 ARG A 120 11.493 3.859 1.810 1.00 0.00 N ATOM 0 H ARG A 120 11.035 -0.254 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 120 8.329 -1.361 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.944 1.568 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.664 0.756 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.652 -0.185 -0.218 1.00 0.00 H new ATOM 0 HG3 ARG A 120 10.541 1.167 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.944 2.109 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.642 1.181 1.256 1.00 0.00 H new ATOM 0 HE ARG A 120 9.561 3.766 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.465 0.812 1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.806 1.580 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.285 4.745 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.268 3.797 2.470 1.00 0.00 H new ATOM 333 N CYS A 121 7.686 -1.035 -4.726 1.00 0.00 N ATOM 334 CA CYS A 121 7.300 -0.901 -6.126 1.00 0.00 C ATOM 335 C CYS A 121 6.443 0.344 -6.337 1.00 0.00 C ATOM 336 O CYS A 121 6.136 1.068 -5.391 1.00 0.00 O ATOM 337 CB CYS A 121 6.537 -2.144 -6.587 1.00 0.00 C ATOM 338 SG CYS A 121 7.507 -3.684 -6.510 1.00 0.00 S ATOM 0 H CYS A 121 7.124 -1.701 -4.196 1.00 0.00 H new ATOM 0 HA CYS A 121 8.208 -0.800 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.645 -2.258 -5.972 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.200 -1.991 -7.612 1.00 0.00 H new ATOM 343 N LYS A 122 6.060 0.586 -7.586 1.00 0.00 N ATOM 344 CA LYS A 122 5.237 1.741 -7.924 1.00 0.00 C ATOM 345 C LYS A 122 3.777 1.495 -7.557 1.00 0.00 C ATOM 346 O LYS A 122 3.349 0.362 -7.337 1.00 0.00 O ATOM 347 CB LYS A 122 5.352 2.056 -9.417 1.00 0.00 C ATOM 348 CG LYS A 122 6.695 1.678 -10.017 1.00 0.00 C ATOM 349 CD LYS A 122 7.059 2.582 -11.183 1.00 0.00 C ATOM 350 CE LYS A 122 7.763 1.809 -12.288 1.00 0.00 C ATOM 351 NZ LYS A 122 9.227 2.080 -12.308 1.00 0.00 N ATOM 0 H LYS A 122 6.307 -0.003 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 122 5.599 2.594 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.563 1.529 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.183 3.122 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.468 1.742 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.665 0.642 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.157 3.046 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.704 3.388 -10.833 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.593 0.741 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.331 2.078 -13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.671 1.535 -13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.390 3.095 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.644 1.800 -11.398 1.00 0.00 H new ATOM 365 N PRO A 123 2.992 2.581 -7.488 1.00 0.00 N ATOM 366 CA PRO A 123 1.568 2.508 -7.150 1.00 0.00 C ATOM 367 C PRO A 123 0.742 1.860 -8.255 1.00 0.00 C ATOM 368 O PRO A 123 -0.288 1.240 -7.990 1.00 0.00 O ATOM 369 CB PRO A 123 1.169 3.976 -6.975 1.00 0.00 C ATOM 370 CG PRO A 123 2.146 4.735 -7.805 1.00 0.00 C ATOM 371 CD PRO A 123 3.435 3.963 -7.737 1.00 0.00 C ATOM 0 HA PRO A 123 1.390 1.895 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.146 4.151 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.219 4.278 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.798 4.824 -8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.277 5.748 -7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.001 4.043 -8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.081 4.328 -6.938 1.00 0.00 H new ATOM 379 N GLU A 124 1.200 2.007 -9.494 1.00 0.00 N ATOM 380 CA GLU A 124 0.501 1.435 -10.639 1.00 0.00 C ATOM 381 C GLU A 124 0.739 -0.070 -10.726 1.00 0.00 C ATOM 382 O GLU A 124 -0.093 -0.811 -11.249 1.00 0.00 O ATOM 383 CB GLU A 124 0.960 2.110 -11.934 1.00 0.00 C ATOM 384 CG GLU A 124 1.225 3.599 -11.784 1.00 0.00 C ATOM 385 CD GLU A 124 0.047 4.343 -11.185 1.00 0.00 C ATOM 386 OE1 GLU A 124 -1.083 3.816 -11.252 1.00 0.00 O ATOM 387 OE2 GLU A 124 0.255 5.452 -10.649 1.00 0.00 O ATOM 0 H GLU A 124 2.051 2.517 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.566 1.610 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.869 1.622 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.200 1.960 -12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.102 3.747 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.459 4.023 -12.760 1.00 0.00 H new ATOM 394 N ASP A 125 1.880 -0.513 -10.209 1.00 0.00 N ATOM 395 CA ASP A 125 2.228 -1.929 -10.227 1.00 0.00 C ATOM 396 C ASP A 125 1.625 -2.652 -9.026 1.00 0.00 C ATOM 397 O ASP A 125 1.437 -2.062 -7.962 1.00 0.00 O ATOM 398 CB ASP A 125 3.748 -2.102 -10.231 1.00 0.00 C ATOM 399 CG ASP A 125 4.346 -1.928 -11.613 1.00 0.00 C ATOM 400 OD1 ASP A 125 3.793 -1.135 -12.403 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.367 -2.586 -11.905 1.00 0.00 O ATOM 0 H ASP A 125 2.579 0.088 -9.773 1.00 0.00 H new ATOM 0 HA ASP A 125 1.817 -2.368 -11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.195 -1.377 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.999 -3.092 -9.852 1.00 0.00 H new ATOM 406 N THR A 126 1.321 -3.934 -9.205 1.00 0.00 N ATOM 407 CA THR A 126 0.737 -4.737 -8.138 1.00 0.00 C ATOM 408 C THR A 126 1.192 -6.189 -8.231 1.00 0.00 C ATOM 409 O THR A 126 0.551 -7.086 -7.685 1.00 0.00 O ATOM 410 CB THR A 126 -0.802 -4.689 -8.178 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.285 -5.405 -9.320 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.298 -3.252 -8.227 1.00 0.00 C ATOM 0 H THR A 126 1.470 -4.438 -10.079 1.00 0.00 H new ATOM 0 HA THR A 126 1.082 -4.311 -7.196 1.00 0.00 H new ATOM 0 HB THR A 126 -1.181 -5.156 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.264 -5.371 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.388 -3.244 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 126 -0.954 -2.718 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.909 -2.763 -9.120 1.00 0.00 H new ATOM 420 N ALA A 127 2.303 -6.413 -8.925 1.00 0.00 N ATOM 421 CA ALA A 127 2.845 -7.756 -9.087 1.00 0.00 C ATOM 422 C ALA A 127 4.363 -7.722 -9.234 1.00 0.00 C ATOM 423 O ALA A 127 4.918 -6.803 -9.837 1.00 0.00 O ATOM 424 CB ALA A 127 2.212 -8.439 -10.290 1.00 0.00 C ATOM 0 H ALA A 127 2.845 -5.681 -9.384 1.00 0.00 H new ATOM 0 HA ALA A 127 2.606 -8.328 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.626 -9.441 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.134 -8.506 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.422 -7.860 -11.189 1.00 0.00 H new ATOM 430 N CYS A 128 5.029 -8.728 -8.678 1.00 0.00 N ATOM 431 CA CYS A 128 6.483 -8.813 -8.746 1.00 0.00 C ATOM 432 C CYS A 128 6.923 -9.692 -9.913 1.00 0.00 C ATOM 433 O CYS A 128 6.169 -10.546 -10.378 1.00 0.00 O ATOM 434 CB CYS A 128 7.044 -9.368 -7.435 1.00 0.00 C ATOM 435 SG CYS A 128 6.245 -8.698 -5.941 1.00 0.00 S ATOM 0 H CYS A 128 4.585 -9.496 -8.175 1.00 0.00 H new ATOM 0 HA CYS A 128 6.874 -7.808 -8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.936 -10.453 -7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 128 8.112 -9.154 -7.390 1.00 0.00 H new ATOM 440 N MET A 129 8.148 -9.476 -10.381 1.00 0.00 N ATOM 441 CA MET A 129 8.688 -10.250 -11.492 1.00 0.00 C ATOM 442 C MET A 129 10.102 -10.731 -11.183 1.00 0.00 C ATOM 443 O MET A 129 10.900 -10.005 -10.588 1.00 0.00 O ATOM 444 CB MET A 129 8.691 -9.411 -12.772 1.00 0.00 C ATOM 445 CG MET A 129 8.274 -10.188 -14.009 1.00 0.00 C ATOM 446 SD MET A 129 8.561 -9.272 -15.535 1.00 0.00 S ATOM 447 CE MET A 129 9.862 -10.253 -16.280 1.00 0.00 C ATOM 0 H MET A 129 8.785 -8.772 -10.008 1.00 0.00 H new ATOM 0 HA MET A 129 8.050 -11.122 -11.639 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.019 -8.563 -12.642 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.690 -9.005 -12.928 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.824 -11.128 -14.045 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.216 -10.441 -13.935 1.00 0.00 H new ATOM 0 HE1 MET A 129 10.283 -9.714 -17.129 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.644 -10.439 -15.544 1.00 0.00 H new ATOM 0 HE3 MET A 129 9.451 -11.203 -16.621 1.00 0.00 H new ATOM 457 N THR A 130 10.407 -11.959 -11.590 1.00 0.00 N ATOM 458 CA THR A 130 11.724 -12.538 -11.355 1.00 0.00 C ATOM 459 C THR A 130 12.276 -13.182 -12.621 1.00 0.00 C ATOM 460 O THR A 130 11.528 -13.750 -13.418 1.00 0.00 O ATOM 461 CB THR A 130 11.682 -13.592 -10.232 1.00 0.00 C ATOM 462 OG1 THR A 130 10.809 -13.157 -9.184 1.00 0.00 O ATOM 463 CG2 THR A 130 13.074 -13.839 -9.669 1.00 0.00 C ATOM 0 H THR A 130 9.759 -12.572 -12.084 1.00 0.00 H new ATOM 0 HA THR A 130 12.379 -11.721 -11.052 1.00 0.00 H new ATOM 0 HB THR A 130 11.307 -14.525 -10.653 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.877 -13.268 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 130 13.019 -14.587 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.729 -14.198 -10.463 1.00 0.00 H new ATOM 0 HG23 THR A 130 13.472 -12.909 -9.263 1.00 0.00 H new ATOM 471 N THR A 131 13.590 -13.093 -12.801 1.00 0.00 N ATOM 472 CA THR A 131 14.242 -13.667 -13.971 1.00 0.00 C ATOM 473 C THR A 131 15.312 -14.674 -13.565 1.00 0.00 C ATOM 474 O THR A 131 16.391 -14.296 -13.104 1.00 0.00 O ATOM 475 CB THR A 131 14.885 -12.576 -14.848 1.00 0.00 C ATOM 476 OG1 THR A 131 14.080 -11.392 -14.826 1.00 0.00 O ATOM 477 CG2 THR A 131 15.046 -13.059 -16.281 1.00 0.00 C ATOM 0 H THR A 131 14.224 -12.628 -12.151 1.00 0.00 H new ATOM 0 HA THR A 131 13.468 -14.175 -14.547 1.00 0.00 H new ATOM 0 HB THR A 131 15.872 -12.351 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.497 -10.703 -15.384 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.502 -12.272 -16.881 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.683 -13.943 -16.298 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.068 -13.309 -16.693 1.00 0.00 H new ATOM 747 N ARG A 149 15.286 -9.711 -9.849 1.00 0.00 N ATOM 748 CA ARG A 149 13.874 -9.463 -9.586 1.00 0.00 C ATOM 749 C ARG A 149 13.537 -7.987 -9.774 1.00 0.00 C ATOM 750 O ARG A 149 14.326 -7.110 -9.422 1.00 0.00 O ATOM 751 CB ARG A 149 13.513 -9.903 -8.166 1.00 0.00 C ATOM 752 CG ARG A 149 12.090 -10.420 -8.032 1.00 0.00 C ATOM 753 CD ARG A 149 11.808 -10.917 -6.622 1.00 0.00 C ATOM 754 NE ARG A 149 11.352 -12.304 -6.612 1.00 0.00 N ATOM 755 CZ ARG A 149 12.173 -13.348 -6.644 1.00 0.00 C ATOM 756 NH1 ARG A 149 13.485 -13.162 -6.689 1.00 0.00 N ATOM 757 NH2 ARG A 149 11.682 -14.580 -6.632 1.00 0.00 N ATOM 0 HA ARG A 149 13.290 -10.045 -10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.205 -10.683 -7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.650 -9.061 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.388 -9.626 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.927 -11.229 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.711 -10.828 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.052 -10.283 -6.159 1.00 0.00 H new ATOM 0 HE ARG A 149 10.348 -12.481 -6.579 1.00 0.00 H new ATOM 0 HH11 ARG A 149 13.866 -12.216 -6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.113 -13.965 -6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 149 10.673 -14.727 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 149 12.313 -15.381 -6.657 1.00 0.00 H new ATOM 771 N SER A 150 12.360 -7.720 -10.331 1.00 0.00 N ATOM 772 CA SER A 150 11.920 -6.350 -10.569 1.00 0.00 C ATOM 773 C SER A 150 10.399 -6.249 -10.503 1.00 0.00 C ATOM 774 O SER A 150 9.689 -7.228 -10.734 1.00 0.00 O ATOM 775 CB SER A 150 12.416 -5.863 -11.932 1.00 0.00 C ATOM 776 OG SER A 150 13.822 -5.688 -11.931 1.00 0.00 O ATOM 0 H SER A 150 11.694 -8.434 -10.626 1.00 0.00 H new ATOM 0 HA SER A 150 12.343 -5.717 -9.789 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.137 -6.582 -12.702 1.00 0.00 H new ATOM 0 HB3 SER A 150 11.929 -4.921 -12.184 1.00 0.00 H new ATOM 0 HG SER A 150 14.189 -5.996 -11.076 1.00 0.00 H new ATOM 782 N CYS A 151 9.905 -5.056 -10.185 1.00 0.00 N ATOM 783 CA CYS A 151 8.469 -4.824 -10.087 1.00 0.00 C ATOM 784 C CYS A 151 7.812 -4.896 -11.463 1.00 0.00 C ATOM 785 O CYS A 151 8.441 -4.603 -12.479 1.00 0.00 O ATOM 786 CB CYS A 151 8.194 -3.461 -9.449 1.00 0.00 C ATOM 787 SG CYS A 151 9.061 -3.192 -7.870 1.00 0.00 S ATOM 0 H CYS A 151 10.479 -4.235 -9.991 1.00 0.00 H new ATOM 0 HA CYS A 151 8.042 -5.605 -9.458 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.485 -2.678 -10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.121 -3.358 -9.285 1.00 0.00 H new ATOM 792 N SER A 152 6.542 -5.289 -11.485 1.00 0.00 N ATOM 793 CA SER A 152 5.799 -5.403 -12.735 1.00 0.00 C ATOM 794 C SER A 152 4.322 -5.088 -12.520 1.00 0.00 C ATOM 795 O SER A 152 3.840 -5.062 -11.387 1.00 0.00 O ATOM 796 CB SER A 152 5.954 -6.809 -13.318 1.00 0.00 C ATOM 797 OG SER A 152 5.300 -6.916 -14.571 1.00 0.00 O ATOM 0 H SER A 152 6.007 -5.534 -10.652 1.00 0.00 H new ATOM 0 HA SER A 152 6.207 -4.678 -13.440 1.00 0.00 H new ATOM 0 HB2 SER A 152 7.012 -7.043 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.541 -7.541 -12.625 1.00 0.00 H new ATOM 0 HG SER A 152 5.415 -7.823 -14.924 1.00 0.00 H new ATOM 803 N SER A 153 3.608 -4.851 -13.615 1.00 0.00 N ATOM 804 CA SER A 153 2.186 -4.534 -13.548 1.00 0.00 C ATOM 805 C SER A 153 1.366 -5.551 -14.336 1.00 0.00 C ATOM 806 O SER A 153 0.161 -5.380 -14.525 1.00 0.00 O ATOM 807 CB SER A 153 1.929 -3.126 -14.087 1.00 0.00 C ATOM 808 OG SER A 153 2.767 -2.843 -15.194 1.00 0.00 O ATOM 0 H SER A 153 3.991 -4.872 -14.560 1.00 0.00 H new ATOM 0 HA SER A 153 1.878 -4.576 -12.503 1.00 0.00 H new ATOM 0 HB2 SER A 153 0.885 -3.032 -14.384 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.103 -2.394 -13.298 1.00 0.00 H new ATOM 0 HG SER A 153 2.582 -1.938 -15.521 1.00 0.00 H new ATOM 814 N SER A 154 2.027 -6.608 -14.795 1.00 0.00 N ATOM 815 CA SER A 154 1.361 -7.651 -15.566 1.00 0.00 C ATOM 816 C SER A 154 2.123 -8.970 -15.468 1.00 0.00 C ATOM 817 O SER A 154 2.949 -9.288 -16.323 1.00 0.00 O ATOM 818 CB SER A 154 1.236 -7.230 -17.032 1.00 0.00 C ATOM 819 OG SER A 154 2.370 -6.489 -17.448 1.00 0.00 O ATOM 0 H SER A 154 3.024 -6.765 -14.646 1.00 0.00 H new ATOM 0 HA SER A 154 0.364 -7.795 -15.150 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.125 -8.114 -17.659 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.336 -6.630 -17.166 1.00 0.00 H new ATOM 0 HG SER A 154 2.267 -6.233 -18.388 1.00 0.00 H new ATOM 825 N CYS A 155 1.838 -9.733 -14.418 1.00 0.00 N ATOM 826 CA CYS A 155 2.494 -11.017 -14.205 1.00 0.00 C ATOM 827 C CYS A 155 2.045 -12.037 -15.247 1.00 0.00 C ATOM 828 O CYS A 155 0.882 -12.442 -15.274 1.00 0.00 O ATOM 829 CB CYS A 155 2.193 -11.541 -12.799 1.00 0.00 C ATOM 830 SG CYS A 155 2.383 -13.344 -12.621 1.00 0.00 S ATOM 0 H CYS A 155 1.157 -9.484 -13.701 1.00 0.00 H new ATOM 0 HA CYS A 155 3.569 -10.869 -14.307 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.854 -11.045 -12.089 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.173 -11.266 -12.531 1.00 0.00 H new ATOM 1006 N ILE A 169 10.267 -17.141 -15.749 1.00 0.00 N ATOM 1007 CA ILE A 169 9.837 -15.896 -15.126 1.00 0.00 C ATOM 1008 C ILE A 169 8.896 -16.163 -13.956 1.00 0.00 C ATOM 1009 O ILE A 169 7.783 -16.657 -14.140 1.00 0.00 O ATOM 1010 CB ILE A 169 9.130 -14.974 -16.138 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.081 -14.611 -17.280 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.622 -13.719 -15.445 1.00 0.00 C ATOM 1013 CD1 ILE A 169 9.947 -15.513 -18.487 1.00 0.00 C ATOM 0 HA ILE A 169 10.736 -15.400 -14.761 1.00 0.00 H new ATOM 0 HB ILE A 169 8.275 -15.505 -16.557 1.00 0.00 H new ATOM 0 HG12 ILE A 169 9.895 -13.581 -17.584 1.00 0.00 H new ATOM 0 HG13 ILE A 169 11.107 -14.655 -16.915 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.125 -13.077 -16.173 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.915 -13.996 -14.663 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.461 -13.183 -15.002 1.00 0.00 H new ATOM 0 HD11 ILE A 169 10.651 -15.197 -19.257 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.162 -16.542 -18.198 1.00 0.00 H new ATOM 0 HD13 ILE A 169 8.931 -15.451 -18.877 1.00 0.00 H new ATOM 1025 N PHE A 170 9.349 -15.832 -12.751 1.00 0.00 N ATOM 1026 CA PHE A 170 8.548 -16.036 -11.550 1.00 0.00 C ATOM 1027 C PHE A 170 7.926 -14.723 -11.083 1.00 0.00 C ATOM 1028 O PHE A 170 8.633 -13.781 -10.723 1.00 0.00 O ATOM 1029 CB PHE A 170 9.407 -16.632 -10.433 1.00 0.00 C ATOM 1030 CG PHE A 170 9.413 -18.134 -10.419 1.00 0.00 C ATOM 1031 CD1 PHE A 170 9.611 -18.851 -11.588 1.00 0.00 C ATOM 1032 CD2 PHE A 170 9.219 -18.829 -9.236 1.00 0.00 C ATOM 1033 CE1 PHE A 170 9.617 -20.233 -11.578 1.00 0.00 C ATOM 1034 CE2 PHE A 170 9.225 -20.211 -9.220 1.00 0.00 C ATOM 1035 CZ PHE A 170 9.423 -20.914 -10.393 1.00 0.00 C ATOM 0 H PHE A 170 10.267 -15.421 -12.581 1.00 0.00 H new ATOM 0 HA PHE A 170 7.746 -16.733 -11.792 1.00 0.00 H new ATOM 0 HB2 PHE A 170 10.431 -16.273 -10.542 1.00 0.00 H new ATOM 0 HB3 PHE A 170 9.043 -16.269 -9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 170 9.762 -18.324 -12.518 1.00 0.00 H new ATOM 0 HD2 PHE A 170 9.061 -18.285 -8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 170 9.773 -20.780 -12.496 1.00 0.00 H new ATOM 0 HE2 PHE A 170 9.075 -20.741 -8.291 1.00 0.00 H new ATOM 0 HZ PHE A 170 9.426 -21.994 -10.383 1.00 0.00 H new ATOM 1045 N CYS A 171 6.598 -14.668 -11.091 1.00 0.00 N ATOM 1046 CA CYS A 171 5.879 -13.472 -10.670 1.00 0.00 C ATOM 1047 C CYS A 171 4.815 -13.815 -9.631 1.00 0.00 C ATOM 1048 O CYS A 171 4.380 -14.963 -9.527 1.00 0.00 O ATOM 1049 CB CYS A 171 5.229 -12.791 -11.876 1.00 0.00 C ATOM 1050 SG CYS A 171 4.249 -13.913 -12.925 1.00 0.00 S ATOM 0 H CYS A 171 5.998 -15.439 -11.385 1.00 0.00 H new ATOM 0 HA CYS A 171 6.596 -12.787 -10.218 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.584 -11.987 -11.522 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.008 -12.331 -12.484 1.00 0.00 H new ATOM 1055 N CYS A 172 4.400 -12.813 -8.864 1.00 0.00 N ATOM 1056 CA CYS A 172 3.387 -13.006 -7.833 1.00 0.00 C ATOM 1057 C CYS A 172 2.562 -11.738 -7.636 1.00 0.00 C ATOM 1058 O CYS A 172 2.753 -10.745 -8.339 1.00 0.00 O ATOM 1059 CB CYS A 172 4.045 -13.411 -6.513 1.00 0.00 C ATOM 1060 SG CYS A 172 5.487 -12.394 -6.058 1.00 0.00 S ATOM 0 H CYS A 172 4.750 -11.858 -8.937 1.00 0.00 H new ATOM 0 HA CYS A 172 2.720 -13.804 -8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 172 3.304 -13.349 -5.716 1.00 0.00 H new ATOM 0 HB3 CYS A 172 4.356 -14.454 -6.579 1.00 0.00 H new ATOM 1065 N PHE A 173 1.646 -11.778 -6.674 1.00 0.00 N ATOM 1066 CA PHE A 173 0.791 -10.633 -6.384 1.00 0.00 C ATOM 1067 C PHE A 173 0.702 -10.388 -4.881 1.00 0.00 C ATOM 1068 O PHE A 173 -0.332 -9.957 -4.371 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.609 -10.855 -6.960 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.683 -10.661 -8.447 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.927 -9.407 -8.984 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -0.510 -11.732 -9.309 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.996 -9.225 -10.352 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -0.577 -11.556 -10.678 1.00 0.00 C ATOM 1075 CZ PHE A 173 -0.821 -10.301 -11.200 1.00 0.00 C ATOM 0 H PHE A 173 1.477 -12.591 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 173 1.233 -9.754 -6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -0.937 -11.866 -6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.305 -10.169 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -1.065 -8.562 -8.326 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -0.321 -12.716 -8.906 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.187 -8.242 -10.758 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -0.439 -12.399 -11.339 1.00 0.00 H new ATOM 0 HZ PHE A 173 -0.875 -10.161 -12.270 1.00 0.00 H new ATOM 1085 N ARG A 174 1.794 -10.666 -4.176 1.00 0.00 N ATOM 1086 CA ARG A 174 1.840 -10.478 -2.731 1.00 0.00 C ATOM 1087 C ARG A 174 3.201 -9.944 -2.295 1.00 0.00 C ATOM 1088 O ARG A 174 4.238 -10.371 -2.802 1.00 0.00 O ATOM 1089 CB ARG A 174 1.544 -11.797 -2.014 1.00 0.00 C ATOM 1090 CG ARG A 174 0.084 -12.214 -2.085 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.556 -12.237 -0.706 1.00 0.00 C ATOM 1092 NE ARG A 174 -1.911 -11.693 -0.722 1.00 0.00 N ATOM 1093 CZ ARG A 174 -2.728 -11.723 0.325 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -2.329 -12.267 1.466 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -3.947 -11.207 0.231 1.00 0.00 N ATOM 0 H ARG A 174 2.659 -11.022 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 174 1.079 -9.746 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 174 2.160 -12.584 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.837 -11.706 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.462 -11.524 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 174 0.008 -13.202 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.581 -13.262 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 174 0.057 -11.662 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.249 -11.266 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -1.392 -12.664 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -2.958 -12.289 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -4.257 -10.787 -0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -4.574 -11.230 1.035 1.00 0.00 H new ATOM 1109 N ASP A 175 3.189 -9.008 -1.353 1.00 0.00 N ATOM 1110 CA ASP A 175 4.422 -8.415 -0.848 1.00 0.00 C ATOM 1111 C ASP A 175 5.336 -9.484 -0.256 1.00 0.00 C ATOM 1112 O ASP A 175 4.953 -10.201 0.670 1.00 0.00 O ATOM 1113 CB ASP A 175 4.109 -7.353 0.207 1.00 0.00 C ATOM 1114 CG ASP A 175 3.158 -6.290 -0.307 1.00 0.00 C ATOM 1115 OD1 ASP A 175 2.016 -6.641 -0.669 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.556 -5.107 -0.347 1.00 0.00 O ATOM 0 H ASP A 175 2.339 -8.643 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 175 4.938 -7.943 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.674 -7.833 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 175 5.037 -6.881 0.530 1.00 0.00 H new ATOM 1121 N LEU A 176 6.545 -9.586 -0.796 1.00 0.00 N ATOM 1122 CA LEU A 176 7.515 -10.568 -0.322 1.00 0.00 C ATOM 1123 C LEU A 176 6.981 -11.987 -0.495 1.00 0.00 C ATOM 1124 O LEU A 176 7.230 -12.861 0.337 1.00 0.00 O ATOM 1125 CB LEU A 176 7.851 -10.313 1.149 1.00 0.00 C ATOM 1126 CG LEU A 176 7.979 -8.847 1.564 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.484 -8.739 2.994 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.903 -8.102 0.612 1.00 0.00 C ATOM 0 H LEU A 176 6.878 -9.001 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 176 8.421 -10.465 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 176 7.079 -10.778 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.789 -10.818 1.380 1.00 0.00 H new ATOM 0 HG LEU A 176 6.992 -8.388 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.569 -7.688 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.784 -9.236 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.462 -9.215 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 176 8.982 -7.060 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.891 -8.562 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.499 -8.149 -0.399 1.00 0.00 H new ATOM 1140 N CYS A 177 6.249 -12.210 -1.581 1.00 0.00 N ATOM 1141 CA CYS A 177 5.682 -13.522 -1.865 1.00 0.00 C ATOM 1142 C CYS A 177 6.745 -14.611 -1.750 1.00 0.00 C ATOM 1143 O CYS A 177 6.432 -15.776 -1.512 1.00 0.00 O ATOM 1144 CB CYS A 177 5.066 -13.542 -3.265 1.00 0.00 C ATOM 1145 SG CYS A 177 6.278 -13.755 -4.608 1.00 0.00 S ATOM 0 H CYS A 177 6.035 -11.498 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 177 4.903 -13.720 -1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 177 4.336 -14.350 -3.317 1.00 0.00 H new ATOM 0 HB3 CYS A 177 4.523 -12.611 -3.425 1.00 0.00 H new