USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 311 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 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 152 SER OG : rot -160:sc= -0.0946 USER MOD Set 2.1: A 131 THR OG1 : rot 77:sc= 1.1 USER MOD Set 2.2: A 148 THR OG1 : rot 180:sc= -0.196 USER MOD Set 3.1: A 105 THR OG1 : rot -13:sc= 0.4! USER MOD Set 3.2: A 119 THR OG1 : rot -3:sc=-0.00408 USER MOD Single : A 100 MET CE :methyl 150:sc= -1.78 (180deg=-3.27!) 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 180:sc= 0.133 USER MOD Single : A 117 THR OG1 : rot 30:sc= 0.106 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 130 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 53:sc= 0.00332 USER MOD Single : A 178 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.686 0.436 -0.827 1.00 0.00 N ATOM 2 CA MET A 100 2.321 0.155 -2.109 1.00 0.00 C ATOM 3 C MET A 100 3.636 -0.594 -1.912 1.00 0.00 C ATOM 4 O MET A 100 4.231 -0.551 -0.834 1.00 0.00 O ATOM 5 CB MET A 100 2.572 1.456 -2.874 1.00 0.00 C ATOM 6 CG MET A 100 3.470 2.433 -2.134 1.00 0.00 C ATOM 7 SD MET A 100 2.552 3.802 -1.401 1.00 0.00 S ATOM 8 CE MET A 100 3.793 5.093 -1.427 1.00 0.00 C ATOM 0 HA MET A 100 1.647 -0.475 -2.689 1.00 0.00 H new ATOM 0 HB2 MET A 100 3.023 1.220 -3.838 1.00 0.00 H new ATOM 0 HB3 MET A 100 1.616 1.938 -3.079 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.010 1.902 -1.350 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.216 2.829 -2.823 1.00 0.00 H new ATOM 0 HE1 MET A 100 3.307 6.063 -1.529 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.363 5.068 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.466 4.934 -2.270 1.00 0.00 H new ATOM 18 N LEU A 101 4.084 -1.279 -2.958 1.00 0.00 N ATOM 19 CA LEU A 101 5.328 -2.037 -2.900 1.00 0.00 C ATOM 20 C LEU A 101 6.532 -1.104 -2.818 1.00 0.00 C ATOM 21 O LEU A 101 6.715 -0.232 -3.668 1.00 0.00 O ATOM 22 CB LEU A 101 5.454 -2.944 -4.126 1.00 0.00 C ATOM 23 CG LEU A 101 6.186 -4.268 -3.909 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.788 -4.766 -5.214 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.265 -4.114 -2.847 1.00 0.00 C ATOM 0 H LEU A 101 3.604 -1.325 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 101 5.307 -2.653 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.452 -3.162 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.970 -2.391 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 101 5.464 -5.006 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.305 -5.710 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.995 -4.917 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.496 -4.029 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.775 -5.067 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.985 -3.360 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.809 -3.804 -1.907 1.00 0.00 H new ATOM 37 N LYS A 102 7.352 -1.293 -1.790 1.00 0.00 N ATOM 38 CA LYS A 102 8.541 -0.471 -1.597 1.00 0.00 C ATOM 39 C LYS A 102 9.800 -1.332 -1.573 1.00 0.00 C ATOM 40 O LYS A 102 9.827 -2.393 -0.948 1.00 0.00 O ATOM 41 CB LYS A 102 8.430 0.325 -0.295 1.00 0.00 C ATOM 42 CG LYS A 102 7.297 1.337 -0.295 1.00 0.00 C ATOM 43 CD LYS A 102 7.799 2.736 0.018 1.00 0.00 C ATOM 44 CE LYS A 102 6.649 3.691 0.300 1.00 0.00 C ATOM 45 NZ LYS A 102 6.107 3.517 1.676 1.00 0.00 N ATOM 0 H LYS A 102 7.215 -2.009 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 102 8.612 0.223 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.287 -0.368 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.371 0.846 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.806 1.335 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.547 1.045 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.464 2.700 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.386 3.109 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.990 4.718 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.854 3.526 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.325 4.186 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.758 2.544 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.859 3.699 2.371 1.00 0.00 H new ATOM 59 N CYS A 103 10.841 -0.870 -2.257 1.00 0.00 N ATOM 60 CA CYS A 103 12.103 -1.596 -2.313 1.00 0.00 C ATOM 61 C CYS A 103 13.282 -0.658 -2.071 1.00 0.00 C ATOM 62 O CYS A 103 13.235 0.520 -2.427 1.00 0.00 O ATOM 63 CB CYS A 103 12.258 -2.288 -3.669 1.00 0.00 C ATOM 64 SG CYS A 103 10.710 -2.987 -4.328 1.00 0.00 S ATOM 0 H CYS A 103 10.835 0.005 -2.781 1.00 0.00 H new ATOM 0 HA CYS A 103 12.094 -2.350 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.655 -1.571 -4.388 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.994 -3.087 -3.575 1.00 0.00 H new ATOM 69 N TYR A 104 14.338 -1.188 -1.464 1.00 0.00 N ATOM 70 CA TYR A 104 15.529 -0.399 -1.172 1.00 0.00 C ATOM 71 C TYR A 104 16.319 -0.114 -2.446 1.00 0.00 C ATOM 72 O TYR A 104 17.353 -0.733 -2.701 1.00 0.00 O ATOM 73 CB TYR A 104 16.415 -1.128 -0.161 1.00 0.00 C ATOM 74 CG TYR A 104 16.030 -0.869 1.278 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.195 0.388 1.847 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.500 -1.881 2.069 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.846 0.629 3.162 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.146 -1.649 3.384 1.00 0.00 C ATOM 79 CZ TYR A 104 15.322 -0.393 3.926 1.00 0.00 C ATOM 80 OH TYR A 104 14.971 -0.157 5.236 1.00 0.00 O ATOM 0 H TYR A 104 14.394 -2.161 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 104 15.209 0.551 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.367 -2.200 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.451 -0.823 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.603 1.191 1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.362 -2.866 1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.983 1.612 3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.734 -2.447 3.984 1.00 0.00 H new ATOM 0 HH TYR A 104 14.617 -0.980 5.633 1.00 0.00 H new ATOM 90 N THR A 105 15.826 0.828 -3.243 1.00 0.00 N ATOM 91 CA THR A 105 16.484 1.196 -4.490 1.00 0.00 C ATOM 92 C THR A 105 17.169 2.553 -4.371 1.00 0.00 C ATOM 93 O THR A 105 16.556 3.534 -3.950 1.00 0.00 O ATOM 94 CB THR A 105 15.484 1.240 -5.661 1.00 0.00 C ATOM 95 OG1 THR A 105 14.851 2.522 -5.717 1.00 0.00 O ATOM 96 CG2 THR A 105 14.429 0.153 -5.513 1.00 0.00 C ATOM 0 H THR A 105 14.972 1.351 -3.047 1.00 0.00 H new ATOM 0 HA THR A 105 17.233 0.430 -4.690 1.00 0.00 H new ATOM 0 HB THR A 105 16.034 1.067 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.029 3.011 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.734 0.204 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.912 -0.824 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.884 0.300 -4.581 1.00 0.00 H new ATOM 104 N CYS A 106 18.443 2.602 -4.746 1.00 0.00 N ATOM 105 CA CYS A 106 19.212 3.839 -4.681 1.00 0.00 C ATOM 106 C CYS A 106 18.950 4.706 -5.909 1.00 0.00 C ATOM 107 O CYS A 106 18.190 4.328 -6.800 1.00 0.00 O ATOM 108 CB CYS A 106 20.706 3.529 -4.572 1.00 0.00 C ATOM 109 SG CYS A 106 21.309 2.328 -5.801 1.00 0.00 S ATOM 0 H CYS A 106 18.965 1.799 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 106 18.896 4.389 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 106 21.267 4.457 -4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.915 3.146 -3.573 1.00 0.00 H new ATOM 0 HG CYS A 106 22.583 2.134 -5.629 1.00 0.00 H new ATOM 262 N THR A 117 18.217 2.741 -0.186 1.00 0.00 N ATOM 263 CA THR A 117 17.297 3.868 -0.097 1.00 0.00 C ATOM 264 C THR A 117 15.857 3.421 -0.322 1.00 0.00 C ATOM 265 O THR A 117 15.555 2.738 -1.301 1.00 0.00 O ATOM 266 CB THR A 117 17.649 4.962 -1.123 1.00 0.00 C ATOM 267 OG1 THR A 117 19.012 5.369 -0.957 1.00 0.00 O ATOM 268 CG2 THR A 117 16.732 6.166 -0.966 1.00 0.00 C ATOM 0 HA THR A 117 17.395 4.278 0.908 1.00 0.00 H new ATOM 0 HB THR A 117 17.513 4.549 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 117 19.538 4.617 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.999 6.925 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.698 5.859 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.841 6.578 0.037 1.00 0.00 H new ATOM 276 N ILE A 118 14.972 3.811 0.589 1.00 0.00 N ATOM 277 CA ILE A 118 13.563 3.452 0.488 1.00 0.00 C ATOM 278 C ILE A 118 12.893 4.176 -0.675 1.00 0.00 C ATOM 279 O ILE A 118 12.865 5.406 -0.722 1.00 0.00 O ATOM 280 CB ILE A 118 12.804 3.778 1.788 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.417 3.019 2.966 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.329 3.437 1.640 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.715 3.276 4.281 1.00 0.00 C ATOM 0 H ILE A 118 15.206 4.376 1.406 1.00 0.00 H new ATOM 0 HA ILE A 118 13.523 2.377 0.314 1.00 0.00 H new ATOM 0 HB ILE A 118 12.891 4.847 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.391 1.950 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.466 3.300 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.806 3.673 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.901 4.019 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.221 2.374 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.203 2.706 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.763 4.339 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.672 2.969 4.203 1.00 0.00 H new ATOM 295 N THR A 119 12.351 3.405 -1.612 1.00 0.00 N ATOM 296 CA THR A 119 11.680 3.972 -2.775 1.00 0.00 C ATOM 297 C THR A 119 10.365 3.254 -3.055 1.00 0.00 C ATOM 298 O THR A 119 10.237 2.054 -2.809 1.00 0.00 O ATOM 299 CB THR A 119 12.570 3.897 -4.029 1.00 0.00 C ATOM 300 OG1 THR A 119 13.709 4.751 -3.874 1.00 0.00 O ATOM 301 CG2 THR A 119 11.791 4.304 -5.271 1.00 0.00 C ATOM 0 H THR A 119 12.364 2.385 -1.588 1.00 0.00 H new ATOM 0 HA THR A 119 11.478 5.018 -2.544 1.00 0.00 H new ATOM 0 HB THR A 119 12.903 2.866 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.645 5.230 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.441 4.243 -6.144 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.941 3.634 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.432 5.327 -5.156 1.00 0.00 H new ATOM 309 N ARG A 120 9.390 3.994 -3.572 1.00 0.00 N ATOM 310 CA ARG A 120 8.084 3.427 -3.885 1.00 0.00 C ATOM 311 C ARG A 120 8.062 2.865 -5.304 1.00 0.00 C ATOM 312 O ARG A 120 8.339 3.576 -6.270 1.00 0.00 O ATOM 313 CB ARG A 120 6.993 4.488 -3.729 1.00 0.00 C ATOM 314 CG ARG A 120 7.235 5.444 -2.573 1.00 0.00 C ATOM 315 CD ARG A 120 7.787 6.776 -3.057 1.00 0.00 C ATOM 316 NE ARG A 120 9.032 7.131 -2.381 1.00 0.00 N ATOM 317 CZ ARG A 120 9.908 8.004 -2.866 1.00 0.00 C ATOM 318 NH1 ARG A 120 9.677 8.607 -4.023 1.00 0.00 N ATOM 319 NH2 ARG A 120 11.018 8.275 -2.191 1.00 0.00 N ATOM 0 H ARG A 120 9.480 4.988 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 120 7.892 2.613 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.920 5.060 -4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.033 3.992 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.302 5.610 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.934 4.994 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.959 6.728 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.047 7.558 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 120 9.240 6.684 -1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.825 8.401 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.352 9.277 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.199 7.813 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.691 8.945 -2.563 1.00 0.00 H new ATOM 333 N CYS A 121 7.731 1.583 -5.421 1.00 0.00 N ATOM 334 CA CYS A 121 7.673 0.924 -6.720 1.00 0.00 C ATOM 335 C CYS A 121 6.453 1.386 -7.511 1.00 0.00 C ATOM 336 O CYS A 121 5.655 2.190 -7.029 1.00 0.00 O ATOM 337 CB CYS A 121 7.635 -0.595 -6.543 1.00 0.00 C ATOM 338 SG CYS A 121 9.166 -1.303 -5.854 1.00 0.00 S ATOM 0 H CYS A 121 7.499 0.980 -4.632 1.00 0.00 H new ATOM 0 HA CYS A 121 8.569 1.196 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.802 -0.853 -5.889 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.437 -1.058 -7.510 1.00 0.00 H new ATOM 343 N LYS A 122 6.314 0.872 -8.728 1.00 0.00 N ATOM 344 CA LYS A 122 5.191 1.229 -9.587 1.00 0.00 C ATOM 345 C LYS A 122 3.987 0.335 -9.308 1.00 0.00 C ATOM 346 O LYS A 122 4.106 -0.743 -8.724 1.00 0.00 O ATOM 347 CB LYS A 122 5.593 1.116 -11.059 1.00 0.00 C ATOM 348 CG LYS A 122 7.070 1.368 -11.308 1.00 0.00 C ATOM 349 CD LYS A 122 7.340 1.711 -12.764 1.00 0.00 C ATOM 350 CE LYS A 122 7.317 0.470 -13.642 1.00 0.00 C ATOM 351 NZ LYS A 122 8.369 0.516 -14.695 1.00 0.00 N ATOM 0 H LYS A 122 6.966 0.206 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 122 4.913 2.261 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.337 0.120 -11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.008 1.828 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.413 2.184 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.643 0.484 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.592 2.421 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.310 2.201 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.461 -0.416 -13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.338 0.375 -14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.320 -0.348 -15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.217 1.347 -15.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.306 0.581 -14.247 1.00 0.00 H new ATOM 365 N PRO A 123 2.800 0.790 -9.734 1.00 0.00 N ATOM 366 CA PRO A 123 1.551 0.046 -9.543 1.00 0.00 C ATOM 367 C PRO A 123 1.489 -1.212 -10.403 1.00 0.00 C ATOM 368 O PRO A 123 0.849 -2.196 -10.032 1.00 0.00 O ATOM 369 CB PRO A 123 0.474 1.044 -9.975 1.00 0.00 C ATOM 370 CG PRO A 123 1.165 1.961 -10.923 1.00 0.00 C ATOM 371 CD PRO A 123 2.584 2.066 -10.437 1.00 0.00 C ATOM 0 HA PRO A 123 1.438 -0.305 -8.517 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.365 0.539 -10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 123 0.073 1.588 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.129 1.571 -11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.685 2.939 -10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 123 3.283 2.193 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.719 2.919 -9.772 1.00 0.00 H new ATOM 379 N GLU A 124 2.157 -1.172 -11.551 1.00 0.00 N ATOM 380 CA GLU A 124 2.175 -2.309 -12.463 1.00 0.00 C ATOM 381 C GLU A 124 3.068 -3.424 -11.925 1.00 0.00 C ATOM 382 O GLU A 124 2.854 -4.601 -12.217 1.00 0.00 O ATOM 383 CB GLU A 124 2.663 -1.874 -13.847 1.00 0.00 C ATOM 384 CG GLU A 124 2.150 -0.508 -14.271 1.00 0.00 C ATOM 385 CD GLU A 124 0.638 -0.408 -14.210 1.00 0.00 C ATOM 386 OE1 GLU A 124 0.104 -0.140 -13.113 1.00 0.00 O ATOM 387 OE2 GLU A 124 -0.011 -0.598 -15.260 1.00 0.00 O ATOM 0 H GLU A 124 2.692 -0.365 -11.871 1.00 0.00 H new ATOM 0 HA GLU A 124 1.157 -2.690 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.753 -1.861 -13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.350 -2.615 -14.583 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.587 0.256 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.484 -0.298 -15.287 1.00 0.00 H new ATOM 394 N ASP A 125 4.068 -3.044 -11.137 1.00 0.00 N ATOM 395 CA ASP A 125 4.993 -4.010 -10.557 1.00 0.00 C ATOM 396 C ASP A 125 4.330 -4.783 -9.421 1.00 0.00 C ATOM 397 O ASP A 125 3.213 -4.468 -9.010 1.00 0.00 O ATOM 398 CB ASP A 125 6.248 -3.302 -10.044 1.00 0.00 C ATOM 399 CG ASP A 125 7.337 -3.218 -11.096 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.126 -3.741 -12.210 1.00 0.00 O ATOM 401 OD2 ASP A 125 8.399 -2.630 -10.805 1.00 0.00 O ATOM 0 H ASP A 125 4.258 -2.074 -10.885 1.00 0.00 H new ATOM 0 HA ASP A 125 5.277 -4.717 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.986 -2.296 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.630 -3.832 -9.172 1.00 0.00 H new ATOM 406 N THR A 126 5.026 -5.798 -8.918 1.00 0.00 N ATOM 407 CA THR A 126 4.504 -6.618 -7.832 1.00 0.00 C ATOM 408 C THR A 126 5.628 -7.112 -6.927 1.00 0.00 C ATOM 409 O THR A 126 5.446 -7.256 -5.719 1.00 0.00 O ATOM 410 CB THR A 126 3.723 -7.832 -8.369 1.00 0.00 C ATOM 411 OG1 THR A 126 4.547 -8.589 -9.263 1.00 0.00 O ATOM 412 CG2 THR A 126 2.460 -7.385 -9.091 1.00 0.00 C ATOM 0 H THR A 126 5.952 -6.072 -9.245 1.00 0.00 H new ATOM 0 HA THR A 126 3.828 -5.986 -7.256 1.00 0.00 H new ATOM 0 HB THR A 126 3.438 -8.457 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.043 -9.360 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.924 -8.259 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.822 -6.834 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.728 -6.741 -9.929 1.00 0.00 H new ATOM 420 N ALA A 127 6.789 -7.370 -7.520 1.00 0.00 N ATOM 421 CA ALA A 127 7.943 -7.845 -6.767 1.00 0.00 C ATOM 422 C ALA A 127 9.136 -6.911 -6.943 1.00 0.00 C ATOM 423 O ALA A 127 9.106 -5.998 -7.769 1.00 0.00 O ATOM 424 CB ALA A 127 8.308 -9.258 -7.196 1.00 0.00 C ATOM 0 H ALA A 127 6.955 -7.258 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 127 7.677 -7.856 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.172 -9.600 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.465 -9.924 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.550 -9.265 -8.259 1.00 0.00 H new ATOM 430 N CYS A 128 10.184 -7.145 -6.162 1.00 0.00 N ATOM 431 CA CYS A 128 11.388 -6.325 -6.230 1.00 0.00 C ATOM 432 C CYS A 128 12.545 -7.107 -6.846 1.00 0.00 C ATOM 433 O CYS A 128 12.530 -8.337 -6.874 1.00 0.00 O ATOM 434 CB CYS A 128 11.776 -5.834 -4.834 1.00 0.00 C ATOM 435 SG CYS A 128 10.474 -4.876 -3.994 1.00 0.00 S ATOM 0 H CYS A 128 10.225 -7.897 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 128 11.176 -5.464 -6.864 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.035 -6.694 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.672 -5.218 -4.913 1.00 0.00 H new ATOM 440 N MET A 129 13.545 -6.383 -7.338 1.00 0.00 N ATOM 441 CA MET A 129 14.710 -7.009 -7.953 1.00 0.00 C ATOM 442 C MET A 129 16.001 -6.419 -7.394 1.00 0.00 C ATOM 443 O MET A 129 16.052 -5.244 -7.027 1.00 0.00 O ATOM 444 CB MET A 129 14.670 -6.831 -9.472 1.00 0.00 C ATOM 445 CG MET A 129 15.102 -8.070 -10.240 1.00 0.00 C ATOM 446 SD MET A 129 15.246 -7.772 -12.012 1.00 0.00 S ATOM 447 CE MET A 129 14.160 -9.041 -12.658 1.00 0.00 C ATOM 0 H MET A 129 13.572 -5.363 -7.323 1.00 0.00 H new ATOM 0 HA MET A 129 14.686 -8.073 -7.719 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.657 -6.562 -9.772 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.316 -5.998 -9.749 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.061 -8.416 -9.854 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.382 -8.870 -10.067 1.00 0.00 H new ATOM 0 HE1 MET A 129 14.143 -8.986 -13.746 1.00 0.00 H new ATOM 0 HE2 MET A 129 14.523 -10.022 -12.350 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.152 -8.889 -12.271 1.00 0.00 H new ATOM 457 N THR A 130 17.044 -7.242 -7.332 1.00 0.00 N ATOM 458 CA THR A 130 18.335 -6.802 -6.817 1.00 0.00 C ATOM 459 C THR A 130 19.482 -7.444 -7.588 1.00 0.00 C ATOM 460 O THR A 130 19.590 -8.669 -7.656 1.00 0.00 O ATOM 461 CB THR A 130 18.486 -7.136 -5.321 1.00 0.00 C ATOM 462 OG1 THR A 130 17.305 -6.749 -4.610 1.00 0.00 O ATOM 463 CG2 THR A 130 19.695 -6.429 -4.728 1.00 0.00 C ATOM 0 H THR A 130 17.020 -8.217 -7.632 1.00 0.00 H new ATOM 0 HA THR A 130 18.375 -5.720 -6.946 1.00 0.00 H new ATOM 0 HB THR A 130 18.631 -8.212 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.409 -6.966 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.781 -6.680 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.596 -6.748 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.575 -5.351 -4.836 1.00 0.00 H new ATOM 471 N THR A 131 20.339 -6.609 -8.168 1.00 0.00 N ATOM 472 CA THR A 131 21.479 -7.096 -8.935 1.00 0.00 C ATOM 473 C THR A 131 22.766 -7.010 -8.122 1.00 0.00 C ATOM 474 O THR A 131 23.248 -5.918 -7.818 1.00 0.00 O ATOM 475 CB THR A 131 21.657 -6.301 -10.243 1.00 0.00 C ATOM 476 OG1 THR A 131 20.382 -5.867 -10.729 1.00 0.00 O ATOM 477 CG2 THR A 131 22.348 -7.148 -11.301 1.00 0.00 C ATOM 0 H THR A 131 20.265 -5.593 -8.121 1.00 0.00 H new ATOM 0 HA THR A 131 21.275 -8.139 -9.177 1.00 0.00 H new ATOM 0 HB THR A 131 22.280 -5.432 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.078 -5.096 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.463 -6.566 -12.215 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.330 -7.452 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 131 21.747 -8.034 -11.508 1.00 0.00 H new ATOM 733 N THR A 148 22.829 -2.748 -8.262 1.00 0.00 N ATOM 734 CA THR A 148 21.694 -2.020 -8.813 1.00 0.00 C ATOM 735 C THR A 148 20.377 -2.699 -8.452 1.00 0.00 C ATOM 736 O THR A 148 20.065 -3.777 -8.958 1.00 0.00 O ATOM 737 CB THR A 148 21.793 -1.901 -10.346 1.00 0.00 C ATOM 738 OG1 THR A 148 21.884 -3.204 -10.933 1.00 0.00 O ATOM 739 CG2 THR A 148 23.004 -1.072 -10.746 1.00 0.00 C ATOM 0 HA THR A 148 21.717 -1.022 -8.376 1.00 0.00 H new ATOM 0 HB THR A 148 20.895 -1.402 -10.710 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.945 -3.120 -11.908 1.00 0.00 H new ATOM 0 HG21 THR A 148 23.054 -1.001 -11.833 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.917 -0.072 -10.321 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.910 -1.548 -10.371 1.00 0.00 H new ATOM 747 N ARG A 149 19.609 -2.062 -7.575 1.00 0.00 N ATOM 748 CA ARG A 149 18.326 -2.605 -7.146 1.00 0.00 C ATOM 749 C ARG A 149 17.171 -1.853 -7.799 1.00 0.00 C ATOM 750 O ARG A 149 17.147 -0.622 -7.812 1.00 0.00 O ATOM 751 CB ARG A 149 18.200 -2.531 -5.623 1.00 0.00 C ATOM 752 CG ARG A 149 17.356 -3.646 -5.027 1.00 0.00 C ATOM 753 CD ARG A 149 17.571 -3.765 -3.526 1.00 0.00 C ATOM 754 NE ARG A 149 16.314 -3.958 -2.807 1.00 0.00 N ATOM 755 CZ ARG A 149 16.239 -4.462 -1.580 1.00 0.00 C ATOM 756 NH1 ARG A 149 17.342 -4.821 -0.939 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.058 -4.607 -0.992 1.00 0.00 N ATOM 0 H ARG A 149 19.853 -1.169 -7.147 1.00 0.00 H new ATOM 0 HA ARG A 149 18.280 -3.648 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 149 19.196 -2.566 -5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.764 -1.570 -5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.302 -3.455 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.608 -4.591 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.238 -4.602 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 149 18.065 -2.866 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 149 15.446 -3.691 -3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 149 18.251 -4.711 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 149 17.282 -5.208 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 149 14.207 -4.331 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 149 15.001 -4.994 -0.050 1.00 0.00 H new ATOM 771 N SER A 150 16.216 -2.601 -8.341 1.00 0.00 N ATOM 772 CA SER A 150 15.060 -2.005 -9.001 1.00 0.00 C ATOM 773 C SER A 150 13.837 -2.909 -8.876 1.00 0.00 C ATOM 774 O SER A 150 13.962 -4.126 -8.738 1.00 0.00 O ATOM 775 CB SER A 150 15.366 -1.744 -10.477 1.00 0.00 C ATOM 776 OG SER A 150 15.721 -2.942 -11.144 1.00 0.00 O ATOM 0 H SER A 150 16.220 -3.621 -8.336 1.00 0.00 H new ATOM 0 HA SER A 150 14.842 -1.057 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 150 14.495 -1.300 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 150 16.179 -1.023 -10.561 1.00 0.00 H new ATOM 0 HG SER A 150 15.910 -2.748 -12.086 1.00 0.00 H new ATOM 782 N CYS A 151 12.655 -2.305 -8.927 1.00 0.00 N ATOM 783 CA CYS A 151 11.408 -3.053 -8.819 1.00 0.00 C ATOM 784 C CYS A 151 11.191 -3.929 -10.050 1.00 0.00 C ATOM 785 O CYS A 151 11.860 -3.761 -11.070 1.00 0.00 O ATOM 786 CB CYS A 151 10.227 -2.095 -8.647 1.00 0.00 C ATOM 787 SG CYS A 151 10.489 -0.812 -7.381 1.00 0.00 S ATOM 0 H CYS A 151 12.534 -1.299 -9.043 1.00 0.00 H new ATOM 0 HA CYS A 151 11.475 -3.698 -7.943 1.00 0.00 H new ATOM 0 HB2 CYS A 151 10.023 -1.611 -9.602 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.340 -2.672 -8.386 1.00 0.00 H new ATOM 792 N SER A 152 10.253 -4.864 -9.946 1.00 0.00 N ATOM 793 CA SER A 152 9.950 -5.769 -11.048 1.00 0.00 C ATOM 794 C SER A 152 8.486 -6.198 -11.013 1.00 0.00 C ATOM 795 O SER A 152 7.802 -6.026 -10.004 1.00 0.00 O ATOM 796 CB SER A 152 10.856 -7.001 -10.988 1.00 0.00 C ATOM 797 OG SER A 152 10.622 -7.860 -12.091 1.00 0.00 O ATOM 0 H SER A 152 9.689 -5.015 -9.109 1.00 0.00 H new ATOM 0 HA SER A 152 10.132 -5.238 -11.982 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.900 -6.688 -10.981 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.679 -7.541 -10.058 1.00 0.00 H new ATOM 0 HG SER A 152 10.955 -8.758 -11.883 1.00 0.00 H new ATOM 803 N SER A 153 8.013 -6.758 -12.121 1.00 0.00 N ATOM 804 CA SER A 153 6.630 -7.209 -12.220 1.00 0.00 C ATOM 805 C SER A 153 6.562 -8.725 -12.382 1.00 0.00 C ATOM 806 O SER A 153 5.500 -9.284 -12.653 1.00 0.00 O ATOM 807 CB SER A 153 5.932 -6.527 -13.398 1.00 0.00 C ATOM 808 OG SER A 153 6.803 -6.412 -14.510 1.00 0.00 O ATOM 0 H SER A 153 8.567 -6.910 -12.964 1.00 0.00 H new ATOM 0 HA SER A 153 6.119 -6.937 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.048 -7.099 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.588 -5.537 -13.098 1.00 0.00 H new ATOM 0 HG SER A 153 6.333 -5.974 -15.250 1.00 0.00 H new ATOM 814 N SER A 154 7.705 -9.383 -12.215 1.00 0.00 N ATOM 815 CA SER A 154 7.778 -10.833 -12.346 1.00 0.00 C ATOM 816 C SER A 154 9.118 -11.358 -11.838 1.00 0.00 C ATOM 817 O SER A 154 10.096 -11.420 -12.583 1.00 0.00 O ATOM 818 CB SER A 154 7.576 -11.245 -13.805 1.00 0.00 C ATOM 819 OG SER A 154 8.229 -10.345 -14.684 1.00 0.00 O ATOM 0 H SER A 154 8.593 -8.935 -11.989 1.00 0.00 H new ATOM 0 HA SER A 154 6.984 -11.268 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 154 7.962 -12.253 -13.958 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.511 -11.274 -14.034 1.00 0.00 H new ATOM 0 HG SER A 154 9.169 -10.255 -14.421 1.00 0.00 H new ATOM 825 N CYS A 155 9.154 -11.734 -10.564 1.00 0.00 N ATOM 826 CA CYS A 155 10.372 -12.253 -9.954 1.00 0.00 C ATOM 827 C CYS A 155 10.733 -13.618 -10.535 1.00 0.00 C ATOM 828 O CYS A 155 10.093 -14.624 -10.228 1.00 0.00 O ATOM 829 CB CYS A 155 10.202 -12.361 -8.438 1.00 0.00 C ATOM 830 SG CYS A 155 11.380 -13.497 -7.636 1.00 0.00 S ATOM 0 H CYS A 155 8.353 -11.689 -9.934 1.00 0.00 H new ATOM 0 HA CYS A 155 11.183 -11.558 -10.173 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.314 -11.370 -7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.187 -12.694 -8.220 1.00 0.00 H new ATOM 835 N VAL A 156 11.762 -13.644 -11.376 1.00 0.00 N ATOM 836 CA VAL A 156 12.209 -14.884 -11.999 1.00 0.00 C ATOM 837 C VAL A 156 13.720 -14.885 -12.197 1.00 0.00 C ATOM 838 O VAL A 156 14.272 -13.996 -12.845 1.00 0.00 O ATOM 839 CB VAL A 156 11.523 -15.107 -13.360 1.00 0.00 C ATOM 840 CG1 VAL A 156 11.845 -16.493 -13.898 1.00 0.00 C ATOM 841 CG2 VAL A 156 10.020 -14.910 -13.237 1.00 0.00 C ATOM 0 H VAL A 156 12.302 -12.820 -11.642 1.00 0.00 H new ATOM 0 HA VAL A 156 11.933 -15.695 -11.325 1.00 0.00 H new ATOM 0 HB VAL A 156 11.906 -14.371 -14.066 1.00 0.00 H new ATOM 0 HG11 VAL A 156 11.352 -16.633 -14.860 1.00 0.00 H new ATOM 0 HG12 VAL A 156 12.923 -16.593 -14.025 1.00 0.00 H new ATOM 0 HG13 VAL A 156 11.491 -17.247 -13.195 1.00 0.00 H new ATOM 0 HG21 VAL A 156 9.551 -15.071 -14.208 1.00 0.00 H new ATOM 0 HG22 VAL A 156 9.617 -15.622 -12.517 1.00 0.00 H new ATOM 0 HG23 VAL A 156 9.813 -13.895 -12.898 1.00 0.00 H new ATOM 987 N LEU A 168 23.979 -12.605 -9.650 1.00 0.00 N ATOM 988 CA LEU A 168 22.952 -13.043 -8.711 1.00 0.00 C ATOM 989 C LEU A 168 21.759 -12.092 -8.725 1.00 0.00 C ATOM 990 O LEU A 168 21.823 -10.992 -8.175 1.00 0.00 O ATOM 991 CB LEU A 168 23.531 -13.131 -7.297 1.00 0.00 C ATOM 992 CG LEU A 168 24.203 -14.455 -6.929 1.00 0.00 C ATOM 993 CD1 LEU A 168 23.160 -15.500 -6.566 1.00 0.00 C ATOM 994 CD2 LEU A 168 25.077 -14.946 -8.074 1.00 0.00 C ATOM 0 HA LEU A 168 22.609 -14.031 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.260 -12.330 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 168 22.728 -12.944 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 168 24.838 -14.288 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 168 23.657 -16.435 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 168 22.577 -15.151 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 168 22.498 -15.664 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 168 25.547 -15.889 -7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 168 24.463 -15.096 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 168 25.848 -14.205 -8.287 1.00 0.00 H new ATOM 1006 N ILE A 169 20.673 -12.523 -9.357 1.00 0.00 N ATOM 1007 CA ILE A 169 19.465 -11.711 -9.440 1.00 0.00 C ATOM 1008 C ILE A 169 18.449 -12.129 -8.383 1.00 0.00 C ATOM 1009 O ILE A 169 17.685 -13.074 -8.580 1.00 0.00 O ATOM 1010 CB ILE A 169 18.813 -11.813 -10.831 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.841 -11.512 -11.924 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.630 -10.861 -10.933 1.00 0.00 C ATOM 1013 CD1 ILE A 169 19.334 -11.783 -13.322 1.00 0.00 C ATOM 0 H ILE A 169 20.605 -13.430 -9.819 1.00 0.00 H new ATOM 0 HA ILE A 169 19.766 -10.678 -9.264 1.00 0.00 H new ATOM 0 HB ILE A 169 18.449 -12.831 -10.971 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.141 -10.467 -11.851 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.733 -12.112 -11.747 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.180 -10.945 -11.922 1.00 0.00 H new ATOM 0 HG22 ILE A 169 16.890 -11.117 -10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.972 -9.838 -10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 169 20.115 -11.547 -14.044 1.00 0.00 H new ATOM 0 HD12 ILE A 169 19.061 -12.834 -13.413 1.00 0.00 H new ATOM 0 HD13 ILE A 169 18.459 -11.163 -13.518 1.00 0.00 H new ATOM 1025 N PHE A 170 18.444 -11.417 -7.261 1.00 0.00 N ATOM 1026 CA PHE A 170 17.520 -11.712 -6.172 1.00 0.00 C ATOM 1027 C PHE A 170 16.232 -10.906 -6.316 1.00 0.00 C ATOM 1028 O PHE A 170 16.242 -9.786 -6.828 1.00 0.00 O ATOM 1029 CB PHE A 170 18.175 -11.410 -4.822 1.00 0.00 C ATOM 1030 CG PHE A 170 18.908 -12.583 -4.236 1.00 0.00 C ATOM 1031 CD1 PHE A 170 18.235 -13.529 -3.480 1.00 0.00 C ATOM 1032 CD2 PHE A 170 20.270 -12.738 -4.440 1.00 0.00 C ATOM 1033 CE1 PHE A 170 18.907 -14.610 -2.939 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.946 -13.816 -3.902 1.00 0.00 C ATOM 1035 CZ PHE A 170 20.264 -14.753 -3.149 1.00 0.00 C ATOM 0 H PHE A 170 19.070 -10.631 -7.082 1.00 0.00 H new ATOM 0 HA PHE A 170 17.271 -12.772 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 170 18.871 -10.580 -4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 170 17.408 -11.083 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 170 17.174 -13.421 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 170 20.809 -12.008 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 170 18.371 -15.342 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 170 22.007 -13.927 -4.070 1.00 0.00 H new ATOM 0 HZ PHE A 170 20.791 -15.595 -2.726 1.00 0.00 H new ATOM 1045 N CYS A 171 15.125 -11.484 -5.862 1.00 0.00 N ATOM 1046 CA CYS A 171 13.829 -10.822 -5.941 1.00 0.00 C ATOM 1047 C CYS A 171 12.919 -11.270 -4.800 1.00 0.00 C ATOM 1048 O CYS A 171 13.091 -12.355 -4.244 1.00 0.00 O ATOM 1049 CB CYS A 171 13.162 -11.119 -7.286 1.00 0.00 C ATOM 1050 SG CYS A 171 13.237 -12.870 -7.783 1.00 0.00 S ATOM 0 H CYS A 171 15.100 -12.410 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 171 13.992 -9.748 -5.853 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.118 -10.811 -7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 171 13.638 -10.513 -8.057 1.00 0.00 H new ATOM 1055 N CYS A 172 11.951 -10.426 -4.457 1.00 0.00 N ATOM 1056 CA CYS A 172 11.014 -10.733 -3.384 1.00 0.00 C ATOM 1057 C CYS A 172 9.658 -10.082 -3.643 1.00 0.00 C ATOM 1058 O CYS A 172 9.518 -9.249 -4.538 1.00 0.00 O ATOM 1059 CB CYS A 172 11.572 -10.258 -2.040 1.00 0.00 C ATOM 1060 SG CYS A 172 12.282 -8.581 -2.081 1.00 0.00 S ATOM 0 H CYS A 172 11.796 -9.524 -4.907 1.00 0.00 H new ATOM 0 HA CYS A 172 10.878 -11.814 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 172 10.774 -10.285 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 172 12.339 -10.958 -1.709 1.00 0.00 H new ATOM 1065 N PHE A 173 8.662 -10.469 -2.852 1.00 0.00 N ATOM 1066 CA PHE A 173 7.317 -9.924 -2.995 1.00 0.00 C ATOM 1067 C PHE A 173 6.865 -9.245 -1.706 1.00 0.00 C ATOM 1068 O PHE A 173 5.681 -9.254 -1.369 1.00 0.00 O ATOM 1069 CB PHE A 173 6.333 -11.032 -3.373 1.00 0.00 C ATOM 1070 CG PHE A 173 6.877 -11.997 -4.388 1.00 0.00 C ATOM 1071 CD1 PHE A 173 7.638 -13.085 -3.991 1.00 0.00 C ATOM 1072 CD2 PHE A 173 6.627 -11.816 -5.739 1.00 0.00 C ATOM 1073 CE1 PHE A 173 8.140 -13.973 -4.923 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.127 -12.701 -6.676 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.883 -13.782 -6.267 1.00 0.00 C ATOM 0 H PHE A 173 8.761 -11.157 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 173 7.337 -9.178 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.054 -11.582 -2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 173 5.422 -10.580 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 173 7.841 -13.241 -2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 173 6.034 -10.973 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 173 8.733 -14.816 -4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 173 6.927 -12.547 -7.726 1.00 0.00 H new ATOM 0 HZ PHE A 173 8.273 -14.477 -6.996 1.00 0.00 H new ATOM 1085 N ARG A 174 7.817 -8.657 -0.989 1.00 0.00 N ATOM 1086 CA ARG A 174 7.518 -7.974 0.264 1.00 0.00 C ATOM 1087 C ARG A 174 8.282 -6.657 0.362 1.00 0.00 C ATOM 1088 O ARG A 174 9.457 -6.581 0.000 1.00 0.00 O ATOM 1089 CB ARG A 174 7.870 -8.870 1.454 1.00 0.00 C ATOM 1090 CG ARG A 174 6.920 -10.042 1.636 1.00 0.00 C ATOM 1091 CD ARG A 174 6.305 -10.050 3.027 1.00 0.00 C ATOM 1092 NE ARG A 174 6.099 -11.407 3.526 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.734 -11.683 4.773 1.00 0.00 C ATOM 1094 NH1 ARG A 174 5.536 -10.702 5.643 1.00 0.00 N ATOM 1095 NH2 ARG A 174 5.566 -12.943 5.153 1.00 0.00 N ATOM 0 H ARG A 174 8.802 -8.640 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 174 6.450 -7.756 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 174 8.883 -9.251 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 174 7.870 -8.269 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.129 -9.990 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.456 -10.976 1.469 1.00 0.00 H new ATOM 0 HD2 ARG A 174 6.954 -9.506 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 174 5.351 -9.523 3.005 1.00 0.00 H new ATOM 0 HE ARG A 174 6.243 -12.185 2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 174 5.664 -9.732 5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 174 5.256 -10.918 6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 174 5.717 -13.701 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 174 5.286 -13.154 6.111 1.00 0.00 H new ATOM 1109 N ASP A 175 7.608 -5.623 0.852 1.00 0.00 N ATOM 1110 CA ASP A 175 8.223 -4.309 0.998 1.00 0.00 C ATOM 1111 C ASP A 175 9.479 -4.389 1.861 1.00 0.00 C ATOM 1112 O ASP A 175 9.440 -4.882 2.989 1.00 0.00 O ATOM 1113 CB ASP A 175 7.229 -3.323 1.613 1.00 0.00 C ATOM 1114 CG ASP A 175 5.840 -3.455 1.020 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.167 -4.467 1.308 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.426 -2.547 0.269 1.00 0.00 O ATOM 0 H ASP A 175 6.635 -5.669 1.155 1.00 0.00 H new ATOM 0 HA ASP A 175 8.507 -3.956 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.178 -3.487 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.590 -2.306 1.462 1.00 0.00 H new ATOM 1121 N LEU A 176 10.592 -3.903 1.323 1.00 0.00 N ATOM 1122 CA LEU A 176 11.861 -3.921 2.043 1.00 0.00 C ATOM 1123 C LEU A 176 12.172 -5.320 2.563 1.00 0.00 C ATOM 1124 O LEU A 176 12.689 -5.482 3.669 1.00 0.00 O ATOM 1125 CB LEU A 176 11.823 -2.928 3.206 1.00 0.00 C ATOM 1126 CG LEU A 176 11.242 -1.549 2.893 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.447 -0.604 4.067 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.873 -0.978 1.631 1.00 0.00 C ATOM 0 H LEU A 176 10.642 -3.492 0.391 1.00 0.00 H new ATOM 0 HA LEU A 176 12.649 -3.629 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.242 -3.370 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.839 -2.796 3.578 1.00 0.00 H new ATOM 0 HG LEU A 176 10.171 -1.658 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.027 0.372 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.948 -1.006 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.513 -0.501 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.447 0.004 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.950 -0.884 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.674 -1.644 0.791 1.00 0.00 H new ATOM 1140 N CYS A 177 11.856 -6.329 1.759 1.00 0.00 N ATOM 1141 CA CYS A 177 12.103 -7.716 2.136 1.00 0.00 C ATOM 1142 C CYS A 177 13.530 -7.894 2.646 1.00 0.00 C ATOM 1143 O CYS A 177 13.810 -8.799 3.431 1.00 0.00 O ATOM 1144 CB CYS A 177 11.855 -8.642 0.944 1.00 0.00 C ATOM 1145 SG CYS A 177 13.265 -8.772 -0.202 1.00 0.00 S ATOM 0 H CYS A 177 11.428 -6.212 0.841 1.00 0.00 H new ATOM 0 HA CYS A 177 11.414 -7.977 2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 177 11.609 -9.637 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 177 10.985 -8.283 0.394 1.00 0.00 H new ATOM 1150 N ASN A 178 14.427 -7.025 2.193 1.00 0.00 N ATOM 1151 CA ASN A 178 15.826 -7.087 2.603 1.00 0.00 C ATOM 1152 C ASN A 178 16.483 -5.714 2.503 1.00 0.00 C ATOM 1153 O ASN A 178 16.209 -4.949 1.578 1.00 0.00 O ATOM 1154 CB ASN A 178 16.588 -8.093 1.738 1.00 0.00 C ATOM 1155 CG ASN A 178 16.845 -7.574 0.337 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.918 -7.188 -0.374 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.111 -7.561 -0.066 1.00 0.00 N ATOM 0 H ASN A 178 14.211 -6.270 1.542 1.00 0.00 H new ATOM 0 HA ASN A 178 15.860 -7.412 3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.539 -8.330 2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.020 -9.021 1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 178 18.346 -7.221 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 178 18.848 -7.891 0.557 1.00 0.00 H new