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 -150:sc= -0.834 USER MOD Set 1.2: A 119 THR OG1 : rot 130:sc= 1.25 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 -61:sc= 0.0883 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 145:sc= -0.19 (180deg=-0.793) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.768 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= 0.0584 USER MOD Single : A 153 SER OG : rot 180:sc= 0.00577 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 3.238 -1.922 -3.179 1.00 0.00 N ATOM 19 CA LEU A 101 3.779 -3.243 -3.480 1.00 0.00 C ATOM 20 C LEU A 101 5.277 -3.296 -3.198 1.00 0.00 C ATOM 21 O LEU A 101 6.047 -2.490 -3.721 1.00 0.00 O ATOM 22 CB LEU A 101 3.511 -3.604 -4.942 1.00 0.00 C ATOM 23 CG LEU A 101 3.278 -5.086 -5.236 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.634 -5.407 -6.680 1.00 0.00 C ATOM 25 CD2 LEU A 101 4.085 -5.952 -4.281 1.00 0.00 C ATOM 0 HA LEU A 101 3.281 -3.968 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.637 -3.046 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.357 -3.264 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 101 2.220 -5.304 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.462 -6.466 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.012 -4.812 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.684 -5.173 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.907 -7.004 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.146 -5.731 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.781 -5.743 -3.255 1.00 0.00 H new ATOM 37 N LYS A 102 5.684 -4.251 -2.369 1.00 0.00 N ATOM 38 CA LYS A 102 7.091 -4.413 -2.019 1.00 0.00 C ATOM 39 C LYS A 102 7.599 -5.791 -2.431 1.00 0.00 C ATOM 40 O LYS A 102 7.023 -6.813 -2.057 1.00 0.00 O ATOM 41 CB LYS A 102 7.289 -4.212 -0.515 1.00 0.00 C ATOM 42 CG LYS A 102 7.171 -2.764 -0.073 1.00 0.00 C ATOM 43 CD LYS A 102 6.147 -2.602 1.038 1.00 0.00 C ATOM 44 CE LYS A 102 6.571 -1.535 2.035 1.00 0.00 C ATOM 45 NZ LYS A 102 5.543 -1.323 3.092 1.00 0.00 N ATOM 0 H LYS A 102 5.059 -4.925 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 102 7.664 -3.659 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.552 -4.808 0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.272 -4.590 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.142 -2.407 0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.887 -2.145 -0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.181 -2.337 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.016 -3.553 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.514 -1.825 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.750 -0.597 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.870 -0.588 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.650 -1.021 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.390 -2.211 3.611 1.00 0.00 H new ATOM 59 N CYS A 103 8.681 -5.811 -3.201 1.00 0.00 N ATOM 60 CA CYS A 103 9.268 -7.063 -3.663 1.00 0.00 C ATOM 61 C CYS A 103 10.762 -7.109 -3.358 1.00 0.00 C ATOM 62 O CYS A 103 11.433 -6.076 -3.330 1.00 0.00 O ATOM 63 CB CYS A 103 9.038 -7.235 -5.166 1.00 0.00 C ATOM 64 SG CYS A 103 7.389 -6.705 -5.731 1.00 0.00 S ATOM 0 H CYS A 103 9.170 -4.974 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 103 8.781 -7.881 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.795 -6.667 -5.706 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.180 -8.284 -5.427 1.00 0.00 H new ATOM 69 N TYR A 104 11.277 -8.312 -3.130 1.00 0.00 N ATOM 70 CA TYR A 104 12.692 -8.492 -2.824 1.00 0.00 C ATOM 71 C TYR A 104 13.550 -8.263 -4.064 1.00 0.00 C ATOM 72 O TYR A 104 13.992 -9.212 -4.713 1.00 0.00 O ATOM 73 CB TYR A 104 12.940 -9.896 -2.271 1.00 0.00 C ATOM 74 CG TYR A 104 12.606 -10.036 -0.803 1.00 0.00 C ATOM 75 CD1 TYR A 104 13.327 -9.345 0.163 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.569 -10.859 -0.382 1.00 0.00 C ATOM 77 CE1 TYR A 104 13.025 -9.471 1.505 1.00 0.00 C ATOM 78 CE2 TYR A 104 11.259 -10.990 0.958 1.00 0.00 C ATOM 79 CZ TYR A 104 11.991 -10.294 1.898 1.00 0.00 C ATOM 80 OH TYR A 104 11.686 -10.421 3.234 1.00 0.00 O ATOM 0 H TYR A 104 10.737 -9.177 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 104 12.972 -7.757 -2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.346 -10.612 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.987 -10.158 -2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 104 14.137 -8.699 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.995 -11.406 -1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.596 -8.927 2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.449 -11.633 1.268 1.00 0.00 H new ATOM 0 HH TYR A 104 10.931 -11.037 3.340 1.00 0.00 H new ATOM 90 N THR A 105 13.784 -6.995 -4.388 1.00 0.00 N ATOM 91 CA THR A 105 14.589 -6.638 -5.549 1.00 0.00 C ATOM 92 C THR A 105 15.865 -5.916 -5.133 1.00 0.00 C ATOM 93 O THR A 105 15.822 -4.944 -4.379 1.00 0.00 O ATOM 94 CB THR A 105 13.802 -5.744 -6.526 1.00 0.00 C ATOM 95 OG1 THR A 105 13.869 -4.378 -6.102 1.00 0.00 O ATOM 96 CG2 THR A 105 12.348 -6.184 -6.609 1.00 0.00 C ATOM 0 H THR A 105 13.427 -6.198 -3.862 1.00 0.00 H new ATOM 0 HA THR A 105 14.849 -7.570 -6.051 1.00 0.00 H new ATOM 0 HB THR A 105 14.251 -5.839 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.054 -3.909 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.812 -5.539 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.299 -7.215 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.890 -6.114 -5.622 1.00 0.00 H new ATOM 104 N CYS A 106 17.000 -6.396 -5.630 1.00 0.00 N ATOM 105 CA CYS A 106 18.290 -5.796 -5.310 1.00 0.00 C ATOM 106 C CYS A 106 18.563 -4.587 -6.200 1.00 0.00 C ATOM 107 O CYS A 106 17.715 -4.183 -6.995 1.00 0.00 O ATOM 108 CB CYS A 106 19.409 -6.826 -5.472 1.00 0.00 C ATOM 109 SG CYS A 106 19.427 -7.656 -7.093 1.00 0.00 S ATOM 0 H CYS A 106 17.053 -7.199 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 106 18.260 -5.462 -4.273 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.368 -6.332 -5.318 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.310 -7.580 -4.691 1.00 0.00 H new ATOM 0 HG CYS A 106 18.312 -8.302 -7.262 1.00 0.00 H new ATOM 276 N ILE A 118 14.237 -5.446 0.259 1.00 0.00 N ATOM 277 CA ILE A 118 12.891 -4.886 0.285 1.00 0.00 C ATOM 278 C ILE A 118 12.824 -3.579 -0.498 1.00 0.00 C ATOM 279 O ILE A 118 13.216 -2.523 0.000 1.00 0.00 O ATOM 280 CB ILE A 118 12.415 -4.632 1.727 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.471 -5.927 2.541 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.005 -4.061 1.726 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.963 -5.772 3.958 1.00 0.00 C ATOM 0 HA ILE A 118 12.235 -5.621 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 118 13.080 -3.904 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.882 -6.691 2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.500 -6.285 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.682 -3.887 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.994 -3.119 1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.327 -4.767 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.032 -6.729 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.567 -5.031 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.924 -5.444 3.938 1.00 0.00 H new ATOM 295 N THR A 119 12.324 -3.657 -1.727 1.00 0.00 N ATOM 296 CA THR A 119 12.204 -2.481 -2.580 1.00 0.00 C ATOM 297 C THR A 119 10.742 -2.144 -2.850 1.00 0.00 C ATOM 298 O THR A 119 9.909 -3.037 -3.006 1.00 0.00 O ATOM 299 CB THR A 119 12.929 -2.685 -3.923 1.00 0.00 C ATOM 300 OG1 THR A 119 14.343 -2.766 -3.710 1.00 0.00 O ATOM 301 CG2 THR A 119 12.621 -1.545 -4.883 1.00 0.00 C ATOM 0 H THR A 119 11.995 -4.523 -2.154 1.00 0.00 H new ATOM 0 HA THR A 119 12.671 -1.654 -2.045 1.00 0.00 H new ATOM 0 HB THR A 119 12.574 -3.617 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.697 -3.561 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.144 -1.711 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.547 -1.504 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.951 -0.602 -4.446 1.00 0.00 H new ATOM 309 N ARG A 120 10.438 -0.852 -2.905 1.00 0.00 N ATOM 310 CA ARG A 120 9.075 -0.398 -3.156 1.00 0.00 C ATOM 311 C ARG A 120 8.825 -0.231 -4.652 1.00 0.00 C ATOM 312 O ARG A 120 9.540 0.505 -5.334 1.00 0.00 O ATOM 313 CB ARG A 120 8.814 0.925 -2.434 1.00 0.00 C ATOM 314 CG ARG A 120 9.471 1.012 -1.065 1.00 0.00 C ATOM 315 CD ARG A 120 10.715 1.885 -1.099 1.00 0.00 C ATOM 316 NE ARG A 120 11.234 2.150 0.240 1.00 0.00 N ATOM 317 CZ ARG A 120 12.276 2.939 0.482 1.00 0.00 C ATOM 318 NH1 ARG A 120 12.906 3.536 -0.520 1.00 0.00 N ATOM 319 NH2 ARG A 120 12.689 3.131 1.728 1.00 0.00 N ATOM 0 H ARG A 120 11.117 -0.101 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 120 8.390 -1.154 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.176 1.745 -3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.739 1.061 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.761 1.417 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.736 0.012 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 120 11.485 1.396 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 120 10.482 2.829 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 120 10.772 1.705 1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 120 12.591 3.390 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.705 4.141 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.207 2.673 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.489 3.737 1.913 1.00 0.00 H new ATOM 333 N CYS A 121 7.806 -0.918 -5.157 1.00 0.00 N ATOM 334 CA CYS A 121 7.461 -0.848 -6.571 1.00 0.00 C ATOM 335 C CYS A 121 6.639 0.403 -6.869 1.00 0.00 C ATOM 336 O CYS A 121 6.278 1.153 -5.962 1.00 0.00 O ATOM 337 CB CYS A 121 6.682 -2.096 -6.991 1.00 0.00 C ATOM 338 SG CYS A 121 7.619 -3.649 -6.824 1.00 0.00 S ATOM 0 H CYS A 121 7.204 -1.530 -4.607 1.00 0.00 H new ATOM 0 HA CYS A 121 8.388 -0.798 -7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.775 -2.165 -6.390 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.368 -1.983 -8.029 1.00 0.00 H new ATOM 343 N LYS A 122 6.346 0.621 -8.147 1.00 0.00 N ATOM 344 CA LYS A 122 5.565 1.779 -8.566 1.00 0.00 C ATOM 345 C LYS A 122 4.107 1.634 -8.143 1.00 0.00 C ATOM 346 O LYS A 122 3.629 0.540 -7.840 1.00 0.00 O ATOM 347 CB LYS A 122 5.651 1.955 -10.084 1.00 0.00 C ATOM 348 CG LYS A 122 6.926 2.640 -10.545 1.00 0.00 C ATOM 349 CD LYS A 122 6.756 4.148 -10.614 1.00 0.00 C ATOM 350 CE LYS A 122 7.108 4.809 -9.290 1.00 0.00 C ATOM 351 NZ LYS A 122 8.147 5.863 -9.456 1.00 0.00 N ATOM 0 H LYS A 122 6.638 0.011 -8.910 1.00 0.00 H new ATOM 0 HA LYS A 122 5.980 2.661 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.582 0.977 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.793 2.536 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.739 2.396 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.210 2.260 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.390 4.551 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.726 4.388 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.211 5.249 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.465 4.053 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.360 6.290 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 9.012 5.439 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.796 6.597 -10.104 1.00 0.00 H new ATOM 365 N PRO A 123 3.381 2.762 -8.121 1.00 0.00 N ATOM 366 CA PRO A 123 1.967 2.786 -7.738 1.00 0.00 C ATOM 367 C PRO A 123 1.074 2.115 -8.777 1.00 0.00 C ATOM 368 O PRO A 123 0.019 1.575 -8.445 1.00 0.00 O ATOM 369 CB PRO A 123 1.649 4.280 -7.646 1.00 0.00 C ATOM 370 CG PRO A 123 2.637 4.934 -8.549 1.00 0.00 C ATOM 371 CD PRO A 123 3.886 4.101 -8.469 1.00 0.00 C ATOM 0 HA PRO A 123 1.787 2.240 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.626 4.487 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.747 4.643 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.262 4.978 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.832 5.960 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.425 4.093 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.574 4.480 -7.713 1.00 0.00 H new ATOM 379 N GLU A 124 1.504 2.154 -10.034 1.00 0.00 N ATOM 380 CA GLU A 124 0.742 1.549 -11.120 1.00 0.00 C ATOM 381 C GLU A 124 0.904 0.032 -11.120 1.00 0.00 C ATOM 382 O GLU A 124 0.008 -0.699 -11.543 1.00 0.00 O ATOM 383 CB GLU A 124 1.190 2.120 -12.467 1.00 0.00 C ATOM 384 CG GLU A 124 1.524 3.602 -12.419 1.00 0.00 C ATOM 385 CD GLU A 124 0.398 4.435 -11.839 1.00 0.00 C ATOM 386 OE1 GLU A 124 -0.763 3.978 -11.888 1.00 0.00 O ATOM 387 OE2 GLU A 124 0.677 5.544 -11.336 1.00 0.00 O ATOM 0 H GLU A 124 2.375 2.598 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.311 1.785 -10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.065 1.570 -12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.401 1.957 -13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.424 3.749 -11.822 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.749 3.953 -13.426 1.00 0.00 H new ATOM 394 N ASP A 125 2.052 -0.434 -10.642 1.00 0.00 N ATOM 395 CA ASP A 125 2.333 -1.864 -10.586 1.00 0.00 C ATOM 396 C ASP A 125 1.585 -2.519 -9.429 1.00 0.00 C ATOM 397 O ASP A 125 1.297 -1.877 -8.418 1.00 0.00 O ATOM 398 CB ASP A 125 3.836 -2.106 -10.439 1.00 0.00 C ATOM 399 CG ASP A 125 4.538 -2.217 -11.779 1.00 0.00 C ATOM 400 OD1 ASP A 125 4.121 -1.518 -12.726 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.503 -3.003 -11.880 1.00 0.00 O ATOM 0 H ASP A 125 2.804 0.158 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 125 1.991 -2.313 -11.518 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.278 -1.290 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.000 -3.021 -9.869 1.00 0.00 H new ATOM 406 N THR A 126 1.271 -3.802 -9.584 1.00 0.00 N ATOM 407 CA THR A 126 0.554 -4.544 -8.554 1.00 0.00 C ATOM 408 C THR A 126 0.988 -6.005 -8.527 1.00 0.00 C ATOM 409 O THR A 126 0.296 -6.857 -7.970 1.00 0.00 O ATOM 410 CB THR A 126 -0.969 -4.476 -8.770 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.349 -5.331 -9.854 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.411 -3.050 -9.063 1.00 0.00 C ATOM 0 H THR A 126 1.502 -4.349 -10.413 1.00 0.00 H new ATOM 0 HA THR A 126 0.799 -4.077 -7.600 1.00 0.00 H new ATOM 0 HB THR A 126 -1.459 -4.811 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.319 -5.283 -9.984 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.491 -3.027 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.147 -2.407 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 126 -0.913 -2.693 -9.964 1.00 0.00 H new ATOM 420 N ALA A 127 2.137 -6.288 -9.130 1.00 0.00 N ATOM 421 CA ALA A 127 2.664 -7.646 -9.173 1.00 0.00 C ATOM 422 C ALA A 127 4.188 -7.643 -9.218 1.00 0.00 C ATOM 423 O ALA A 127 4.804 -6.683 -9.683 1.00 0.00 O ATOM 424 CB ALA A 127 2.100 -8.394 -10.372 1.00 0.00 C ATOM 0 H ALA A 127 2.722 -5.594 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 127 2.355 -8.158 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.502 -9.407 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.013 -8.437 -10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.380 -7.875 -11.289 1.00 0.00 H new ATOM 430 N CYS A 128 4.793 -8.722 -8.732 1.00 0.00 N ATOM 431 CA CYS A 128 6.245 -8.843 -8.715 1.00 0.00 C ATOM 432 C CYS A 128 6.719 -9.843 -9.766 1.00 0.00 C ATOM 433 O CYS A 128 5.975 -10.737 -10.168 1.00 0.00 O ATOM 434 CB CYS A 128 6.726 -9.278 -7.329 1.00 0.00 C ATOM 435 SG CYS A 128 6.153 -8.204 -5.973 1.00 0.00 S ATOM 0 H CYS A 128 4.299 -9.526 -8.344 1.00 0.00 H new ATOM 0 HA CYS A 128 6.669 -7.866 -8.949 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.385 -10.296 -7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.816 -9.301 -7.325 1.00 0.00 H new ATOM 440 N MET A 129 7.963 -9.684 -10.207 1.00 0.00 N ATOM 441 CA MET A 129 8.537 -10.574 -11.210 1.00 0.00 C ATOM 442 C MET A 129 9.889 -11.110 -10.751 1.00 0.00 C ATOM 443 O MET A 129 10.681 -10.390 -10.143 1.00 0.00 O ATOM 444 CB MET A 129 8.692 -9.840 -12.544 1.00 0.00 C ATOM 445 CG MET A 129 8.361 -10.700 -13.753 1.00 0.00 C ATOM 446 SD MET A 129 8.877 -9.943 -15.306 1.00 0.00 S ATOM 447 CE MET A 129 10.658 -9.972 -15.121 1.00 0.00 C ATOM 0 H MET A 129 8.592 -8.948 -9.886 1.00 0.00 H new ATOM 0 HA MET A 129 7.859 -11.417 -11.344 1.00 0.00 H new ATOM 0 HB2 MET A 129 8.045 -8.963 -12.544 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.717 -9.480 -12.634 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.846 -11.670 -13.647 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.287 -10.882 -13.781 1.00 0.00 H new ATOM 0 HE1 MET A 129 11.122 -10.147 -16.092 1.00 0.00 H new ATOM 0 HE2 MET A 129 10.998 -9.016 -14.724 1.00 0.00 H new ATOM 0 HE3 MET A 129 10.940 -10.771 -14.435 1.00 0.00 H new ATOM 457 N THR A 130 10.148 -12.381 -11.046 1.00 0.00 N ATOM 458 CA THR A 130 11.403 -13.014 -10.662 1.00 0.00 C ATOM 459 C THR A 130 12.023 -13.762 -11.836 1.00 0.00 C ATOM 460 O THR A 130 11.398 -14.645 -12.424 1.00 0.00 O ATOM 461 CB THR A 130 11.202 -13.995 -9.492 1.00 0.00 C ATOM 462 OG1 THR A 130 10.516 -13.343 -8.417 1.00 0.00 O ATOM 463 CG2 THR A 130 12.538 -14.528 -8.997 1.00 0.00 C ATOM 0 H THR A 130 9.505 -12.992 -11.550 1.00 0.00 H new ATOM 0 HA THR A 130 12.076 -12.216 -10.347 1.00 0.00 H new ATOM 0 HB THR A 130 10.604 -14.833 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.391 -13.974 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.371 -15.219 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.045 -15.050 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 130 13.157 -13.698 -8.656 1.00 0.00 H new ATOM 471 N THR A 131 13.258 -13.404 -12.175 1.00 0.00 N ATOM 472 CA THR A 131 13.963 -14.041 -13.280 1.00 0.00 C ATOM 473 C THR A 131 14.863 -15.166 -12.782 1.00 0.00 C ATOM 474 O THR A 131 15.820 -14.929 -12.044 1.00 0.00 O ATOM 475 CB THR A 131 14.816 -13.024 -14.062 1.00 0.00 C ATOM 476 OG1 THR A 131 13.973 -12.024 -14.646 1.00 0.00 O ATOM 477 CG2 THR A 131 15.619 -13.718 -15.153 1.00 0.00 C ATOM 0 H THR A 131 13.791 -12.676 -11.699 1.00 0.00 H new ATOM 0 HA THR A 131 13.204 -14.454 -13.944 1.00 0.00 H new ATOM 0 HB THR A 131 15.510 -12.552 -13.366 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.523 -11.380 -15.140 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.214 -12.981 -15.692 1.00 0.00 H new ATOM 0 HG22 THR A 131 16.280 -14.458 -14.703 1.00 0.00 H new ATOM 0 HG23 THR A 131 14.939 -14.213 -15.846 1.00 0.00 H new ATOM 747 N ARG A 149 15.041 -10.140 -9.361 1.00 0.00 N ATOM 748 CA ARG A 149 13.639 -9.804 -9.146 1.00 0.00 C ATOM 749 C ARG A 149 13.363 -8.353 -9.530 1.00 0.00 C ATOM 750 O ARG A 149 14.177 -7.466 -9.271 1.00 0.00 O ATOM 751 CB ARG A 149 13.255 -10.037 -7.683 1.00 0.00 C ATOM 752 CG ARG A 149 11.805 -10.450 -7.493 1.00 0.00 C ATOM 753 CD ARG A 149 11.445 -10.558 -6.019 1.00 0.00 C ATOM 754 NE ARG A 149 10.000 -10.547 -5.806 1.00 0.00 N ATOM 755 CZ ARG A 149 9.412 -11.066 -4.734 1.00 0.00 C ATOM 756 NH1 ARG A 149 10.140 -11.633 -3.783 1.00 0.00 N ATOM 757 NH2 ARG A 149 8.091 -11.017 -4.612 1.00 0.00 N ATOM 0 HA ARG A 149 13.035 -10.452 -9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.902 -10.808 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.441 -9.124 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.152 -9.723 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.631 -11.408 -7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 149 11.865 -11.477 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 149 11.898 -9.730 -5.474 1.00 0.00 H new ATOM 0 HE ARG A 149 9.411 -10.118 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 149 11.155 -11.672 -3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 149 9.685 -12.031 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 149 7.527 -10.581 -5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 149 7.640 -11.416 -3.789 1.00 0.00 H new ATOM 771 N SER A 150 12.210 -8.119 -10.148 1.00 0.00 N ATOM 772 CA SER A 150 11.829 -6.777 -10.572 1.00 0.00 C ATOM 773 C SER A 150 10.313 -6.607 -10.540 1.00 0.00 C ATOM 774 O SER A 150 9.565 -7.575 -10.687 1.00 0.00 O ATOM 775 CB SER A 150 12.355 -6.494 -11.980 1.00 0.00 C ATOM 776 OG SER A 150 11.921 -7.485 -12.895 1.00 0.00 O ATOM 0 H SER A 150 11.524 -8.841 -10.366 1.00 0.00 H new ATOM 0 HA SER A 150 12.273 -6.064 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 150 12.011 -5.514 -12.310 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.444 -6.461 -11.965 1.00 0.00 H new ATOM 0 HG SER A 150 12.269 -7.281 -13.788 1.00 0.00 H new ATOM 782 N CYS A 151 9.866 -5.371 -10.346 1.00 0.00 N ATOM 783 CA CYS A 151 8.440 -5.072 -10.294 1.00 0.00 C ATOM 784 C CYS A 151 7.798 -5.241 -11.668 1.00 0.00 C ATOM 785 O CYS A 151 8.458 -5.090 -12.696 1.00 0.00 O ATOM 786 CB CYS A 151 8.214 -3.647 -9.785 1.00 0.00 C ATOM 787 SG CYS A 151 9.127 -3.249 -8.260 1.00 0.00 S ATOM 0 H CYS A 151 10.471 -4.559 -10.222 1.00 0.00 H new ATOM 0 HA CYS A 151 7.972 -5.775 -9.605 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.506 -2.944 -10.565 1.00 0.00 H new ATOM 0 HB3 CYS A 151 7.149 -3.501 -9.607 1.00 0.00 H new ATOM 792 N SER A 152 6.506 -5.555 -11.678 1.00 0.00 N ATOM 793 CA SER A 152 5.776 -5.747 -12.925 1.00 0.00 C ATOM 794 C SER A 152 4.305 -5.378 -12.755 1.00 0.00 C ATOM 795 O SER A 152 3.762 -5.436 -11.652 1.00 0.00 O ATOM 796 CB SER A 152 5.898 -7.199 -13.393 1.00 0.00 C ATOM 797 OG SER A 152 5.178 -7.409 -14.596 1.00 0.00 O ATOM 0 H SER A 152 5.944 -5.682 -10.836 1.00 0.00 H new ATOM 0 HA SER A 152 6.213 -5.091 -13.678 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.948 -7.448 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.521 -7.867 -12.618 1.00 0.00 H new ATOM 0 HG SER A 152 5.273 -8.344 -14.875 1.00 0.00 H new ATOM 803 N SER A 153 3.666 -4.997 -13.857 1.00 0.00 N ATOM 804 CA SER A 153 2.260 -4.614 -13.831 1.00 0.00 C ATOM 805 C SER A 153 1.402 -5.646 -14.558 1.00 0.00 C ATOM 806 O SER A 153 0.243 -5.388 -14.882 1.00 0.00 O ATOM 807 CB SER A 153 2.072 -3.237 -14.471 1.00 0.00 C ATOM 808 OG SER A 153 2.954 -3.059 -15.566 1.00 0.00 O ATOM 0 H SER A 153 4.100 -4.946 -14.779 1.00 0.00 H new ATOM 0 HA SER A 153 1.941 -4.570 -12.790 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.041 -3.127 -14.808 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.249 -2.460 -13.728 1.00 0.00 H new ATOM 0 HG SER A 153 2.813 -2.172 -15.959 1.00 0.00 H new ATOM 814 N SER A 154 1.982 -6.814 -14.812 1.00 0.00 N ATOM 815 CA SER A 154 1.274 -7.885 -15.504 1.00 0.00 C ATOM 816 C SER A 154 1.969 -9.225 -15.287 1.00 0.00 C ATOM 817 O SER A 154 2.829 -9.626 -16.072 1.00 0.00 O ATOM 818 CB SER A 154 1.183 -7.581 -17.001 1.00 0.00 C ATOM 819 OG SER A 154 2.346 -6.912 -17.457 1.00 0.00 O ATOM 0 H SER A 154 2.940 -7.043 -14.549 1.00 0.00 H new ATOM 0 HA SER A 154 0.267 -7.947 -15.091 1.00 0.00 H new ATOM 0 HB2 SER A 154 1.052 -8.510 -17.557 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.305 -6.966 -17.198 1.00 0.00 H new ATOM 0 HG SER A 154 2.264 -6.731 -18.417 1.00 0.00 H new ATOM 825 N CYS A 155 1.591 -9.915 -14.216 1.00 0.00 N ATOM 826 CA CYS A 155 2.177 -11.210 -13.894 1.00 0.00 C ATOM 827 C CYS A 155 1.756 -12.266 -14.912 1.00 0.00 C ATOM 828 O CYS A 155 0.607 -12.709 -14.926 1.00 0.00 O ATOM 829 CB CYS A 155 1.759 -11.647 -12.488 1.00 0.00 C ATOM 830 SG CYS A 155 1.912 -13.437 -12.189 1.00 0.00 S ATOM 0 H CYS A 155 0.881 -9.598 -13.556 1.00 0.00 H new ATOM 0 HA CYS A 155 3.262 -11.109 -13.929 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.368 -11.114 -11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.724 -11.348 -12.319 1.00 0.00 H new ATOM 1006 N ILE A 169 10.128 -17.541 -15.276 1.00 0.00 N ATOM 1007 CA ILE A 169 9.669 -16.217 -14.874 1.00 0.00 C ATOM 1008 C ILE A 169 8.499 -16.314 -13.900 1.00 0.00 C ATOM 1009 O ILE A 169 7.343 -16.415 -14.311 1.00 0.00 O ATOM 1010 CB ILE A 169 9.241 -15.376 -16.091 1.00 0.00 C ATOM 1011 CG1 ILE A 169 10.431 -15.152 -17.027 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.660 -14.046 -15.637 1.00 0.00 C ATOM 1013 CD1 ILE A 169 11.604 -14.467 -16.361 1.00 0.00 C ATOM 0 HA ILE A 169 10.509 -15.727 -14.382 1.00 0.00 H new ATOM 0 HB ILE A 169 8.470 -15.920 -16.637 1.00 0.00 H new ATOM 0 HG12 ILE A 169 10.759 -16.114 -17.421 1.00 0.00 H new ATOM 0 HG13 ILE A 169 10.106 -14.553 -17.878 1.00 0.00 H new ATOM 0 HG21 ILE A 169 8.362 -13.463 -16.508 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.790 -14.226 -15.006 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.411 -13.495 -15.071 1.00 0.00 H new ATOM 0 HD11 ILE A 169 12.410 -14.341 -17.084 1.00 0.00 H new ATOM 0 HD12 ILE A 169 11.293 -13.490 -15.991 1.00 0.00 H new ATOM 0 HD13 ILE A 169 11.955 -15.075 -15.528 1.00 0.00 H new ATOM 1025 N PHE A 170 8.808 -16.280 -12.608 1.00 0.00 N ATOM 1026 CA PHE A 170 7.782 -16.362 -11.575 1.00 0.00 C ATOM 1027 C PHE A 170 7.268 -14.973 -11.207 1.00 0.00 C ATOM 1028 O PHE A 170 8.002 -13.987 -11.281 1.00 0.00 O ATOM 1029 CB PHE A 170 8.336 -17.060 -10.331 1.00 0.00 C ATOM 1030 CG PHE A 170 8.162 -18.551 -10.353 1.00 0.00 C ATOM 1031 CD1 PHE A 170 6.916 -19.120 -10.143 1.00 0.00 C ATOM 1032 CD2 PHE A 170 9.245 -19.385 -10.584 1.00 0.00 C ATOM 1033 CE1 PHE A 170 6.754 -20.492 -10.162 1.00 0.00 C ATOM 1034 CE2 PHE A 170 9.088 -20.758 -10.604 1.00 0.00 C ATOM 1035 CZ PHE A 170 7.841 -21.312 -10.394 1.00 0.00 C ATOM 0 H PHE A 170 9.760 -16.196 -12.252 1.00 0.00 H new ATOM 0 HA PHE A 170 6.950 -16.945 -11.970 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.397 -16.827 -10.236 1.00 0.00 H new ATOM 0 HB3 PHE A 170 7.841 -16.657 -9.447 1.00 0.00 H new ATOM 0 HD1 PHE A 170 6.062 -18.484 -9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 170 10.223 -18.957 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 170 5.778 -20.923 -9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 170 9.940 -21.397 -10.784 1.00 0.00 H new ATOM 0 HZ PHE A 170 7.716 -22.385 -10.411 1.00 0.00 H new ATOM 1045 N CYS A 171 6.002 -14.904 -10.810 1.00 0.00 N ATOM 1046 CA CYS A 171 5.388 -13.637 -10.430 1.00 0.00 C ATOM 1047 C CYS A 171 4.289 -13.854 -9.394 1.00 0.00 C ATOM 1048 O CYS A 171 3.771 -14.962 -9.245 1.00 0.00 O ATOM 1049 CB CYS A 171 4.811 -12.937 -11.662 1.00 0.00 C ATOM 1050 SG CYS A 171 3.768 -14.006 -12.705 1.00 0.00 S ATOM 0 H CYS A 171 5.381 -15.710 -10.743 1.00 0.00 H new ATOM 0 HA CYS A 171 6.159 -13.006 -9.989 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.222 -12.079 -11.337 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.633 -12.550 -12.265 1.00 0.00 H new ATOM 1055 N CYS A 172 3.937 -12.790 -8.680 1.00 0.00 N ATOM 1056 CA CYS A 172 2.901 -12.862 -7.658 1.00 0.00 C ATOM 1057 C CYS A 172 2.181 -11.524 -7.517 1.00 0.00 C ATOM 1058 O CYS A 172 2.447 -10.582 -8.264 1.00 0.00 O ATOM 1059 CB CYS A 172 3.508 -13.271 -6.315 1.00 0.00 C ATOM 1060 SG CYS A 172 5.047 -12.391 -5.895 1.00 0.00 S ATOM 0 H CYS A 172 4.355 -11.866 -8.791 1.00 0.00 H new ATOM 0 HA CYS A 172 2.175 -13.614 -7.965 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.775 -13.094 -5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.707 -14.343 -6.330 1.00 0.00 H new ATOM 1065 N PHE A 173 1.268 -11.448 -6.555 1.00 0.00 N ATOM 1066 CA PHE A 173 0.509 -10.226 -6.316 1.00 0.00 C ATOM 1067 C PHE A 173 0.475 -9.889 -4.828 1.00 0.00 C ATOM 1068 O PHE A 173 -0.501 -9.328 -4.330 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.917 -10.374 -6.850 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.986 -11.017 -8.205 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.990 -12.397 -8.333 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.048 -10.242 -9.352 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -1.053 -12.991 -9.579 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.111 -10.830 -10.601 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.115 -12.207 -10.715 1.00 0.00 C ATOM 0 H PHE A 173 1.036 -12.218 -5.928 1.00 0.00 H new ATOM 0 HA PHE A 173 1.004 -9.411 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.501 -10.967 -6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.382 -9.389 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.943 -13.015 -7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.047 -9.165 -9.269 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -1.054 -14.068 -9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.157 -10.214 -11.487 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.166 -12.669 -11.690 1.00 0.00 H new ATOM 1085 N ARG A 174 1.547 -10.237 -4.124 1.00 0.00 N ATOM 1086 CA ARG A 174 1.640 -9.974 -2.693 1.00 0.00 C ATOM 1087 C ARG A 174 3.040 -9.499 -2.317 1.00 0.00 C ATOM 1088 O ARG A 174 4.037 -10.008 -2.830 1.00 0.00 O ATOM 1089 CB ARG A 174 1.285 -11.231 -1.897 1.00 0.00 C ATOM 1090 CG ARG A 174 -0.194 -11.580 -1.937 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.782 -11.674 -0.537 1.00 0.00 C ATOM 1092 NE ARG A 174 -1.881 -12.633 -0.469 1.00 0.00 N ATOM 1093 CZ ARG A 174 -1.713 -13.949 -0.526 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -0.496 -14.460 -0.652 1.00 0.00 N ATOM 1095 NH2 ARG A 174 -2.763 -14.757 -0.457 1.00 0.00 N ATOM 0 H ARG A 174 2.363 -10.702 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 174 0.929 -9.185 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 174 1.859 -12.072 -2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.589 -11.092 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.732 -10.824 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.331 -12.529 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -0.001 -11.967 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -1.138 -10.692 -0.227 1.00 0.00 H new ATOM 0 HE ARG A 174 -2.830 -12.272 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 174 0.314 -13.842 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -0.369 -15.471 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -3.701 -14.368 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -2.633 -15.768 -0.501 1.00 0.00 H new ATOM 1109 N ASP A 175 3.107 -8.522 -1.420 1.00 0.00 N ATOM 1110 CA ASP A 175 4.386 -7.979 -0.975 1.00 0.00 C ATOM 1111 C ASP A 175 5.260 -9.073 -0.370 1.00 0.00 C ATOM 1112 O ASP A 175 4.855 -9.756 0.572 1.00 0.00 O ATOM 1113 CB ASP A 175 4.162 -6.864 0.047 1.00 0.00 C ATOM 1114 CG ASP A 175 3.079 -5.893 -0.382 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.898 -6.296 -0.406 1.00 0.00 O ATOM 1116 OD2 ASP A 175 3.414 -4.731 -0.695 1.00 0.00 O ATOM 0 H ASP A 175 2.291 -8.089 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 175 4.900 -7.567 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.892 -7.304 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 175 5.095 -6.320 0.197 1.00 0.00 H new ATOM 1121 N LEU A 176 6.459 -9.234 -0.917 1.00 0.00 N ATOM 1122 CA LEU A 176 7.391 -10.246 -0.432 1.00 0.00 C ATOM 1123 C LEU A 176 6.758 -11.634 -0.472 1.00 0.00 C ATOM 1124 O LEU A 176 6.990 -12.459 0.412 1.00 0.00 O ATOM 1125 CB LEU A 176 7.836 -9.917 0.994 1.00 0.00 C ATOM 1126 CG LEU A 176 8.111 -8.442 1.287 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.665 -8.272 2.693 1.00 0.00 C ATOM 1128 CD2 LEU A 176 9.074 -7.864 0.260 1.00 0.00 C ATOM 0 H LEU A 176 6.809 -8.677 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 176 8.262 -10.245 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 176 7.067 -10.267 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.741 -10.485 1.211 1.00 0.00 H new ATOM 0 HG LEU A 176 7.170 -7.897 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.855 -7.216 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.942 -8.647 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.596 -8.831 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.258 -6.813 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 176 10.015 -8.413 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.639 -7.951 -0.736 1.00 0.00 H new ATOM 1140 N CYS A 177 5.960 -11.884 -1.504 1.00 0.00 N ATOM 1141 CA CYS A 177 5.294 -13.172 -1.662 1.00 0.00 C ATOM 1142 C CYS A 177 6.291 -14.319 -1.526 1.00 0.00 C ATOM 1143 O CYS A 177 5.922 -15.435 -1.162 1.00 0.00 O ATOM 1144 CB CYS A 177 4.596 -13.246 -3.021 1.00 0.00 C ATOM 1145 SG CYS A 177 5.697 -13.705 -4.398 1.00 0.00 S ATOM 0 H CYS A 177 5.758 -11.212 -2.244 1.00 0.00 H new ATOM 0 HA CYS A 177 4.548 -13.267 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.784 -13.971 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 177 4.144 -12.278 -3.238 1.00 0.00 H new