USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 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 131 THR OG1 : rot 74:sc= 0.374 USER MOD Set 1.2: A 148 THR OG1 : rot 25:sc= 0.37 USER MOD Set 2.1: A 105 THR OG1 : rot 180:sc= -0.0374 USER MOD Set 2.2: A 119 THR OG1 : rot 120:sc= 0.33 USER MOD Single : A 100 MET CE :methyl 161:sc= -0.0485 (180deg=-0.411) 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= 0.0917 USER MOD Single : A 117 THR OG1 : rot 25:sc= 0.239 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 -136:sc=-0.00878 (180deg=-2.66!) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.562 USER MOD Single : A 150 SER OG : rot 9:sc= 0.146 USER MOD Single : A 152 SER OG : rot 180:sc= -0.179 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 54:sc= 0.00176 USER MOD Single : A 178 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 100 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 100 3.428 -0.716 -1.059 1.00 0.00 C ATOM 4 O MET A 100 4.057 -0.617 -0.005 1.00 0.00 O ATOM 5 CB MET A 100 2.330 1.433 -1.721 1.00 0.00 C ATOM 6 CG MET A 100 3.091 1.517 -3.034 1.00 0.00 C ATOM 7 SD MET A 100 2.124 0.926 -4.436 1.00 0.00 S ATOM 8 CE MET A 100 0.888 2.216 -4.562 1.00 0.00 C ATOM 0 HA MET A 100 1.515 -0.537 -1.995 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.368 1.933 -1.835 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.883 1.977 -0.955 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.388 2.551 -3.212 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.007 0.931 -2.957 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.434 2.189 -5.552 1.00 0.00 H new ATOM 0 HE2 MET A 100 0.119 2.058 -3.806 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.358 3.187 -4.405 1.00 0.00 H new ATOM 18 N LEU A 101 3.854 -1.437 -2.091 1.00 0.00 N ATOM 19 CA LEU A 101 5.114 -2.169 -2.044 1.00 0.00 C ATOM 20 C LEU A 101 6.301 -1.211 -2.042 1.00 0.00 C ATOM 21 O LEU A 101 6.429 -0.362 -2.925 1.00 0.00 O ATOM 22 CB LEU A 101 5.217 -3.124 -3.234 1.00 0.00 C ATOM 23 CG LEU A 101 5.978 -4.427 -2.986 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.484 -5.007 -4.297 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.134 -4.194 -2.023 1.00 0.00 C ATOM 0 H LEU A 101 3.345 -1.530 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 101 5.135 -2.747 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.208 -3.373 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.699 -2.596 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 101 5.293 -5.145 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.023 -5.934 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.639 -5.211 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.153 -4.293 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.665 -5.132 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.819 -3.460 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.748 -3.824 -1.073 1.00 0.00 H new ATOM 37 N LYS A 102 7.169 -1.354 -1.047 1.00 0.00 N ATOM 38 CA LYS A 102 8.349 -0.505 -0.931 1.00 0.00 C ATOM 39 C LYS A 102 9.627 -1.329 -1.052 1.00 0.00 C ATOM 40 O LYS A 102 9.744 -2.401 -0.458 1.00 0.00 O ATOM 41 CB LYS A 102 8.335 0.243 0.404 1.00 0.00 C ATOM 42 CG LYS A 102 7.373 1.418 0.434 1.00 0.00 C ATOM 43 CD LYS A 102 6.312 1.242 1.507 1.00 0.00 C ATOM 44 CE LYS A 102 6.675 1.994 2.778 1.00 0.00 C ATOM 45 NZ LYS A 102 5.909 3.265 2.908 1.00 0.00 N ATOM 0 H LYS A 102 7.078 -2.051 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 102 8.327 0.219 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.068 -0.454 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.341 0.603 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.927 2.339 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.894 1.522 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.352 1.599 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.192 0.182 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.478 1.361 3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.743 2.212 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.185 3.748 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.116 3.880 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.891 3.056 2.933 1.00 0.00 H new ATOM 59 N CYS A 103 10.582 -0.820 -1.823 1.00 0.00 N ATOM 60 CA CYS A 103 11.853 -1.508 -2.021 1.00 0.00 C ATOM 61 C CYS A 103 13.023 -0.538 -1.887 1.00 0.00 C ATOM 62 O CYS A 103 12.945 0.609 -2.327 1.00 0.00 O ATOM 63 CB CYS A 103 11.885 -2.178 -3.396 1.00 0.00 C ATOM 64 SG CYS A 103 10.327 -3.000 -3.860 1.00 0.00 S ATOM 0 H CYS A 103 10.500 0.066 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 103 11.948 -2.273 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.125 -1.427 -4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.690 -2.913 -3.411 1.00 0.00 H new ATOM 69 N TYR A 104 14.106 -1.007 -1.278 1.00 0.00 N ATOM 70 CA TYR A 104 15.292 -0.182 -1.084 1.00 0.00 C ATOM 71 C TYR A 104 16.000 0.075 -2.411 1.00 0.00 C ATOM 72 O TYR A 104 16.980 -0.590 -2.745 1.00 0.00 O ATOM 73 CB TYR A 104 16.253 -0.855 -0.103 1.00 0.00 C ATOM 74 CG TYR A 104 15.977 -0.515 1.345 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.170 0.774 1.826 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.521 -1.484 2.231 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.920 1.088 3.147 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.267 -1.178 3.554 1.00 0.00 C ATOM 79 CZ TYR A 104 15.468 0.109 4.007 1.00 0.00 C ATOM 80 OH TYR A 104 15.216 0.418 5.324 1.00 0.00 O ATOM 0 H TYR A 104 14.187 -1.955 -0.910 1.00 0.00 H new ATOM 0 HA TYR A 104 14.973 0.775 -0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.192 -1.936 -0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.274 -0.562 -0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.522 1.544 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.363 -2.493 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 104 16.078 2.095 3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.913 -1.942 4.230 1.00 0.00 H new ATOM 0 HH TYR A 104 14.903 -0.383 5.794 1.00 0.00 H new ATOM 90 N THR A 105 15.495 1.048 -3.164 1.00 0.00 N ATOM 91 CA THR A 105 16.077 1.394 -4.455 1.00 0.00 C ATOM 92 C THR A 105 16.678 2.795 -4.429 1.00 0.00 C ATOM 93 O THR A 105 16.035 3.749 -3.989 1.00 0.00 O ATOM 94 CB THR A 105 15.030 1.318 -5.582 1.00 0.00 C ATOM 95 OG1 THR A 105 14.331 2.564 -5.687 1.00 0.00 O ATOM 96 CG2 THR A 105 14.037 0.194 -5.323 1.00 0.00 C ATOM 0 H THR A 105 14.685 1.610 -2.902 1.00 0.00 H new ATOM 0 HA THR A 105 16.865 0.667 -4.652 1.00 0.00 H new ATOM 0 HB THR A 105 15.550 1.114 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.668 2.508 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.307 0.160 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.568 -0.756 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.523 0.373 -4.378 1.00 0.00 H new ATOM 104 N CYS A 106 17.913 2.913 -4.903 1.00 0.00 N ATOM 105 CA CYS A 106 18.602 4.198 -4.935 1.00 0.00 C ATOM 106 C CYS A 106 18.182 5.009 -6.158 1.00 0.00 C ATOM 107 O CYS A 106 17.306 4.598 -6.919 1.00 0.00 O ATOM 108 CB CYS A 106 20.117 3.988 -4.944 1.00 0.00 C ATOM 109 SG CYS A 106 20.701 2.836 -6.228 1.00 0.00 S ATOM 0 H CYS A 106 18.458 2.133 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 106 18.325 4.754 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.606 4.952 -5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 106 20.427 3.615 -3.968 1.00 0.00 H new ATOM 0 HG CYS A 106 21.994 2.726 -6.157 1.00 0.00 H new ATOM 262 N THR A 117 17.795 3.038 -0.806 1.00 0.00 N ATOM 263 CA THR A 117 16.904 4.077 -0.305 1.00 0.00 C ATOM 264 C THR A 117 15.448 3.629 -0.364 1.00 0.00 C ATOM 265 O THR A 117 15.043 2.924 -1.289 1.00 0.00 O ATOM 266 CB THR A 117 17.060 5.384 -1.104 1.00 0.00 C ATOM 267 OG1 THR A 117 18.446 5.716 -1.236 1.00 0.00 O ATOM 268 CG2 THR A 117 16.322 6.527 -0.423 1.00 0.00 C ATOM 0 HA THR A 117 17.183 4.259 0.733 1.00 0.00 H new ATOM 0 HB THR A 117 16.628 5.232 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.986 4.901 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.447 7.439 -1.006 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.262 6.284 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.728 6.677 0.577 1.00 0.00 H new ATOM 276 N ILE A 118 14.666 4.042 0.627 1.00 0.00 N ATOM 277 CA ILE A 118 13.254 3.684 0.686 1.00 0.00 C ATOM 278 C ILE A 118 12.474 4.335 -0.451 1.00 0.00 C ATOM 279 O ILE A 118 12.289 5.552 -0.475 1.00 0.00 O ATOM 280 CB ILE A 118 12.624 4.098 2.029 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.373 3.445 3.192 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.151 3.719 2.061 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.776 3.755 4.546 1.00 0.00 C ATOM 0 H ILE A 118 14.986 4.625 1.400 1.00 0.00 H new ATOM 0 HA ILE A 118 13.199 2.600 0.587 1.00 0.00 H new ATOM 0 HB ILE A 118 12.704 5.180 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.382 2.365 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.411 3.777 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.719 4.018 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.627 4.227 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.050 2.641 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.358 3.259 5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.792 4.832 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.747 3.398 4.580 1.00 0.00 H new ATOM 295 N THR A 119 12.016 3.516 -1.393 1.00 0.00 N ATOM 296 CA THR A 119 11.255 4.011 -2.533 1.00 0.00 C ATOM 297 C THR A 119 9.957 3.232 -2.707 1.00 0.00 C ATOM 298 O THR A 119 9.892 2.039 -2.408 1.00 0.00 O ATOM 299 CB THR A 119 12.073 3.922 -3.835 1.00 0.00 C ATOM 300 OG1 THR A 119 13.194 4.811 -3.771 1.00 0.00 O ATOM 301 CG2 THR A 119 11.211 4.271 -5.039 1.00 0.00 C ATOM 0 H THR A 119 12.159 2.506 -1.388 1.00 0.00 H new ATOM 0 HA THR A 119 11.023 5.056 -2.329 1.00 0.00 H new ATOM 0 HB THR A 119 12.428 2.898 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.024 4.297 -3.856 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.809 4.202 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.374 3.575 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.831 5.287 -4.932 1.00 0.00 H new ATOM 309 N ARG A 120 8.924 3.912 -3.194 1.00 0.00 N ATOM 310 CA ARG A 120 7.627 3.283 -3.408 1.00 0.00 C ATOM 311 C ARG A 120 7.546 2.664 -4.800 1.00 0.00 C ATOM 312 O ARG A 120 7.698 3.355 -5.808 1.00 0.00 O ATOM 313 CB ARG A 120 6.504 4.306 -3.227 1.00 0.00 C ATOM 314 CG ARG A 120 6.815 5.375 -2.192 1.00 0.00 C ATOM 315 CD ARG A 120 5.545 6.002 -1.640 1.00 0.00 C ATOM 316 NE ARG A 120 5.140 7.180 -2.402 1.00 0.00 N ATOM 317 CZ ARG A 120 4.190 8.020 -2.007 1.00 0.00 C ATOM 318 NH1 ARG A 120 3.550 7.813 -0.864 1.00 0.00 N ATOM 319 NH2 ARG A 120 3.878 9.071 -2.755 1.00 0.00 N ATOM 0 H ARG A 120 8.961 4.899 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 120 7.510 2.490 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.304 4.787 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.592 3.784 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.390 4.937 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.438 6.148 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.741 5.266 -1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.702 6.281 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 120 5.613 7.368 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.787 7.007 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.821 8.460 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.368 9.235 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.148 9.715 -2.450 1.00 0.00 H new ATOM 333 N CYS A 121 7.305 1.358 -4.848 1.00 0.00 N ATOM 334 CA CYS A 121 7.204 0.645 -6.116 1.00 0.00 C ATOM 335 C CYS A 121 5.951 1.065 -6.879 1.00 0.00 C ATOM 336 O CYS A 121 5.165 1.884 -6.402 1.00 0.00 O ATOM 337 CB CYS A 121 7.185 -0.866 -5.875 1.00 0.00 C ATOM 338 SG CYS A 121 8.758 -1.539 -5.249 1.00 0.00 S ATOM 0 H CYS A 121 7.176 0.772 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 121 8.076 0.900 -6.718 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.393 -1.100 -5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.933 -1.369 -6.809 1.00 0.00 H new ATOM 343 N LYS A 122 5.770 0.498 -8.066 1.00 0.00 N ATOM 344 CA LYS A 122 4.613 0.811 -8.896 1.00 0.00 C ATOM 345 C LYS A 122 3.433 -0.091 -8.546 1.00 0.00 C ATOM 346 O LYS A 122 3.589 -1.151 -7.941 1.00 0.00 O ATOM 347 CB LYS A 122 4.964 0.656 -10.377 1.00 0.00 C ATOM 348 CG LYS A 122 6.427 0.923 -10.686 1.00 0.00 C ATOM 349 CD LYS A 122 6.671 1.032 -12.182 1.00 0.00 C ATOM 350 CE LYS A 122 7.291 -0.240 -12.740 1.00 0.00 C ATOM 351 NZ LYS A 122 8.667 -0.005 -13.258 1.00 0.00 N ATOM 0 H LYS A 122 6.411 -0.182 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 122 4.328 1.845 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.712 -0.355 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.347 1.339 -10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.740 1.846 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.039 0.120 -10.274 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.729 1.233 -12.692 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.329 1.877 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.321 -1.001 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.663 -0.629 -13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.055 -0.896 -13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.635 0.703 -14.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.273 0.342 -12.488 1.00 0.00 H new ATOM 365 N PRO A 123 2.223 0.339 -8.936 1.00 0.00 N ATOM 366 CA PRO A 123 0.994 -0.416 -8.675 1.00 0.00 C ATOM 367 C PRO A 123 0.914 -1.696 -9.500 1.00 0.00 C ATOM 368 O PRO A 123 0.326 -2.687 -9.068 1.00 0.00 O ATOM 369 CB PRO A 123 -0.114 0.556 -9.089 1.00 0.00 C ATOM 370 CG PRO A 123 0.527 1.458 -10.087 1.00 0.00 C ATOM 371 CD PRO A 123 1.963 1.593 -9.661 1.00 0.00 C ATOM 0 HA PRO A 123 0.929 -0.742 -7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.963 0.027 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.490 1.116 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.456 1.042 -11.092 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.033 2.430 -10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.627 1.707 -10.518 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.113 2.464 -9.023 1.00 0.00 H new ATOM 379 N GLU A 124 1.508 -1.667 -10.689 1.00 0.00 N ATOM 380 CA GLU A 124 1.503 -2.826 -11.573 1.00 0.00 C ATOM 381 C GLU A 124 2.451 -3.907 -11.060 1.00 0.00 C ATOM 382 O GLU A 124 2.254 -5.094 -11.320 1.00 0.00 O ATOM 383 CB GLU A 124 1.902 -2.415 -12.992 1.00 0.00 C ATOM 384 CG GLU A 124 3.203 -1.632 -13.056 1.00 0.00 C ATOM 385 CD GLU A 124 3.047 -0.298 -13.759 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.480 0.632 -13.147 1.00 0.00 O ATOM 387 OE2 GLU A 124 3.491 -0.183 -14.920 1.00 0.00 O ATOM 0 H GLU A 124 1.998 -0.854 -11.062 1.00 0.00 H new ATOM 0 HA GLU A 124 0.492 -3.232 -11.590 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.996 -3.310 -13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.103 -1.812 -13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.572 -1.464 -12.044 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.955 -2.226 -13.575 1.00 0.00 H new ATOM 394 N ASP A 125 3.478 -3.486 -10.331 1.00 0.00 N ATOM 395 CA ASP A 125 4.457 -4.417 -9.780 1.00 0.00 C ATOM 396 C ASP A 125 3.852 -5.231 -8.641 1.00 0.00 C ATOM 397 O ASP A 125 2.706 -5.010 -8.246 1.00 0.00 O ATOM 398 CB ASP A 125 5.689 -3.659 -9.284 1.00 0.00 C ATOM 399 CG ASP A 125 6.750 -3.512 -10.357 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.512 -3.973 -11.494 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.817 -2.934 -10.062 1.00 0.00 O ATOM 0 H ASP A 125 3.655 -2.507 -10.108 1.00 0.00 H new ATOM 0 HA ASP A 125 4.756 -5.103 -10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.388 -2.670 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.113 -4.182 -8.427 1.00 0.00 H new ATOM 406 N THR A 126 4.628 -6.174 -8.117 1.00 0.00 N ATOM 407 CA THR A 126 4.168 -7.022 -7.025 1.00 0.00 C ATOM 408 C THR A 126 5.320 -7.404 -6.102 1.00 0.00 C ATOM 409 O THR A 126 5.151 -7.494 -4.887 1.00 0.00 O ATOM 410 CB THR A 126 3.502 -8.307 -7.553 1.00 0.00 C ATOM 411 OG1 THR A 126 4.405 -9.008 -8.416 1.00 0.00 O ATOM 412 CG2 THR A 126 2.222 -7.981 -8.308 1.00 0.00 C ATOM 0 H THR A 126 5.578 -6.370 -8.431 1.00 0.00 H new ATOM 0 HA THR A 126 3.433 -6.444 -6.465 1.00 0.00 H new ATOM 0 HB THR A 126 3.252 -8.938 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.975 -9.824 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.769 -8.903 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.525 -7.473 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.453 -7.333 -9.153 1.00 0.00 H new ATOM 420 N ALA A 127 6.492 -7.626 -6.688 1.00 0.00 N ATOM 421 CA ALA A 127 7.673 -7.996 -5.917 1.00 0.00 C ATOM 422 C ALA A 127 8.832 -7.045 -6.200 1.00 0.00 C ATOM 423 O ALA A 127 8.729 -6.159 -7.049 1.00 0.00 O ATOM 424 CB ALA A 127 8.077 -9.430 -6.225 1.00 0.00 C ATOM 0 H ALA A 127 6.649 -7.556 -7.693 1.00 0.00 H new ATOM 0 HA ALA A 127 7.424 -7.920 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 127 8.960 -9.692 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.259 -10.102 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.302 -9.524 -7.287 1.00 0.00 H new ATOM 430 N CYS A 128 9.935 -7.235 -5.483 1.00 0.00 N ATOM 431 CA CYS A 128 11.113 -6.394 -5.655 1.00 0.00 C ATOM 432 C CYS A 128 12.255 -7.182 -6.292 1.00 0.00 C ATOM 433 O CYS A 128 12.249 -8.412 -6.291 1.00 0.00 O ATOM 434 CB CYS A 128 11.561 -5.825 -4.307 1.00 0.00 C ATOM 435 SG CYS A 128 10.268 -4.891 -3.428 1.00 0.00 S ATOM 0 H CYS A 128 10.037 -7.964 -4.777 1.00 0.00 H new ATOM 0 HA CYS A 128 10.848 -5.571 -6.319 1.00 0.00 H new ATOM 0 HB2 CYS A 128 11.897 -6.645 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.420 -5.173 -4.467 1.00 0.00 H new ATOM 440 N MET A 129 13.232 -6.463 -6.834 1.00 0.00 N ATOM 441 CA MET A 129 14.381 -7.094 -7.473 1.00 0.00 C ATOM 442 C MET A 129 15.685 -6.469 -6.987 1.00 0.00 C ATOM 443 O MET A 129 15.710 -5.314 -6.559 1.00 0.00 O ATOM 444 CB MET A 129 14.278 -6.970 -8.994 1.00 0.00 C ATOM 445 CG MET A 129 14.692 -8.230 -9.736 1.00 0.00 C ATOM 446 SD MET A 129 14.648 -8.028 -11.527 1.00 0.00 S ATOM 447 CE MET A 129 14.385 -9.721 -12.052 1.00 0.00 C ATOM 0 H MET A 129 13.251 -5.443 -6.844 1.00 0.00 H new ATOM 0 HA MET A 129 14.382 -8.150 -7.201 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.251 -6.722 -9.261 1.00 0.00 H new ATOM 0 HB3 MET A 129 14.903 -6.141 -9.326 1.00 0.00 H new ATOM 0 HG2 MET A 129 15.700 -8.512 -9.431 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.032 -9.049 -9.450 1.00 0.00 H new ATOM 0 HE1 MET A 129 15.040 -9.947 -12.893 1.00 0.00 H new ATOM 0 HE2 MET A 129 14.608 -10.397 -11.226 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.346 -9.850 -12.356 1.00 0.00 H new ATOM 457 N THR A 130 16.767 -7.238 -7.055 1.00 0.00 N ATOM 458 CA THR A 130 18.073 -6.760 -6.621 1.00 0.00 C ATOM 459 C THR A 130 19.191 -7.390 -7.445 1.00 0.00 C ATOM 460 O THR A 130 19.156 -8.583 -7.750 1.00 0.00 O ATOM 461 CB THR A 130 18.316 -7.064 -5.131 1.00 0.00 C ATOM 462 OG1 THR A 130 17.100 -6.900 -4.393 1.00 0.00 O ATOM 463 CG2 THR A 130 19.389 -6.149 -4.560 1.00 0.00 C ATOM 0 H THR A 130 16.764 -8.195 -7.407 1.00 0.00 H new ATOM 0 HA THR A 130 18.079 -5.680 -6.770 1.00 0.00 H new ATOM 0 HB THR A 130 18.657 -8.096 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.164 -7.386 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.543 -6.382 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.321 -6.297 -5.105 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.072 -5.111 -4.659 1.00 0.00 H new ATOM 471 N THR A 131 20.183 -6.582 -7.804 1.00 0.00 N ATOM 472 CA THR A 131 21.311 -7.060 -8.593 1.00 0.00 C ATOM 473 C THR A 131 22.619 -6.922 -7.822 1.00 0.00 C ATOM 474 O THR A 131 23.168 -5.826 -7.701 1.00 0.00 O ATOM 475 CB THR A 131 21.430 -6.294 -9.924 1.00 0.00 C ATOM 476 OG1 THR A 131 20.129 -6.075 -10.482 1.00 0.00 O ATOM 477 CG2 THR A 131 22.290 -7.063 -10.916 1.00 0.00 C ATOM 0 H THR A 131 20.228 -5.592 -7.561 1.00 0.00 H new ATOM 0 HA THR A 131 21.126 -8.113 -8.804 1.00 0.00 H new ATOM 0 HB THR A 131 21.905 -5.334 -9.724 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.666 -5.380 -9.969 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.360 -6.503 -11.848 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.288 -7.202 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 131 21.839 -8.036 -11.111 1.00 0.00 H new ATOM 733 N THR A 148 22.462 -2.690 -8.417 1.00 0.00 N ATOM 734 CA THR A 148 21.250 -1.971 -8.787 1.00 0.00 C ATOM 735 C THR A 148 20.006 -2.694 -8.285 1.00 0.00 C ATOM 736 O THR A 148 19.802 -3.873 -8.576 1.00 0.00 O ATOM 737 CB THR A 148 21.146 -1.794 -10.314 1.00 0.00 C ATOM 738 OG1 THR A 148 20.999 -3.071 -10.946 1.00 0.00 O ATOM 739 CG2 THR A 148 22.377 -1.090 -10.863 1.00 0.00 C ATOM 0 HA THR A 148 21.310 -0.989 -8.318 1.00 0.00 H new ATOM 0 HB THR A 148 20.271 -1.180 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 148 20.604 -3.706 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.280 -0.977 -11.943 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.470 -0.107 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.265 -1.681 -10.638 1.00 0.00 H new ATOM 747 N ARG A 149 19.178 -1.981 -7.529 1.00 0.00 N ATOM 748 CA ARG A 149 17.953 -2.557 -6.985 1.00 0.00 C ATOM 749 C ARG A 149 16.724 -1.852 -7.552 1.00 0.00 C ATOM 750 O ARG A 149 16.618 -0.627 -7.499 1.00 0.00 O ATOM 751 CB ARG A 149 17.952 -2.459 -5.459 1.00 0.00 C ATOM 752 CG ARG A 149 17.224 -3.605 -4.775 1.00 0.00 C ATOM 753 CD ARG A 149 17.651 -3.748 -3.323 1.00 0.00 C ATOM 754 NE ARG A 149 16.917 -4.810 -2.639 1.00 0.00 N ATOM 755 CZ ARG A 149 15.652 -4.697 -2.251 1.00 0.00 C ATOM 756 NH1 ARG A 149 14.983 -3.575 -2.478 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.053 -5.708 -1.635 1.00 0.00 N ATOM 0 H ARG A 149 19.332 -1.004 -7.279 1.00 0.00 H new ATOM 0 HA ARG A 149 17.915 -3.607 -7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.982 -2.431 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.488 -1.518 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.148 -3.435 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.425 -4.535 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.719 -3.959 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.491 -2.803 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 149 17.403 -5.686 -2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 149 15.440 -2.796 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.011 -3.491 -2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 149 15.564 -6.573 -1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.081 -5.620 -1.337 1.00 0.00 H new ATOM 771 N SER A 150 15.797 -2.636 -8.094 1.00 0.00 N ATOM 772 CA SER A 150 14.577 -2.087 -8.674 1.00 0.00 C ATOM 773 C SER A 150 13.401 -3.036 -8.464 1.00 0.00 C ATOM 774 O SER A 150 13.583 -4.244 -8.305 1.00 0.00 O ATOM 775 CB SER A 150 14.772 -1.821 -10.168 1.00 0.00 C ATOM 776 OG SER A 150 15.521 -0.638 -10.382 1.00 0.00 O ATOM 0 H SER A 150 15.868 -3.652 -8.143 1.00 0.00 H new ATOM 0 HA SER A 150 14.356 -1.146 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 150 15.283 -2.667 -10.627 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.801 -1.733 -10.655 1.00 0.00 H new ATOM 0 HG SER A 150 15.880 -0.319 -9.528 1.00 0.00 H new ATOM 782 N CYS A 151 12.193 -2.481 -8.464 1.00 0.00 N ATOM 783 CA CYS A 151 10.986 -3.276 -8.274 1.00 0.00 C ATOM 784 C CYS A 151 10.740 -4.188 -9.472 1.00 0.00 C ATOM 785 O CYS A 151 11.363 -4.032 -10.523 1.00 0.00 O ATOM 786 CB CYS A 151 9.778 -2.362 -8.059 1.00 0.00 C ATOM 787 SG CYS A 151 10.032 -1.080 -6.789 1.00 0.00 S ATOM 0 H CYS A 151 12.025 -1.483 -8.594 1.00 0.00 H new ATOM 0 HA CYS A 151 11.126 -3.898 -7.390 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.529 -1.878 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.920 -2.972 -7.778 1.00 0.00 H new ATOM 792 N SER A 152 9.829 -5.142 -9.306 1.00 0.00 N ATOM 793 CA SER A 152 9.503 -6.082 -10.372 1.00 0.00 C ATOM 794 C SER A 152 8.051 -6.539 -10.268 1.00 0.00 C ATOM 795 O SER A 152 7.387 -6.307 -9.259 1.00 0.00 O ATOM 796 CB SER A 152 10.436 -7.293 -10.316 1.00 0.00 C ATOM 797 OG SER A 152 10.164 -8.196 -11.373 1.00 0.00 O ATOM 0 H SER A 152 9.304 -5.284 -8.443 1.00 0.00 H new ATOM 0 HA SER A 152 9.638 -5.572 -11.326 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.472 -6.960 -10.375 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.319 -7.802 -9.359 1.00 0.00 H new ATOM 0 HG SER A 152 10.775 -8.960 -11.316 1.00 0.00 H new ATOM 803 N SER A 153 7.566 -7.190 -11.321 1.00 0.00 N ATOM 804 CA SER A 153 6.192 -7.677 -11.351 1.00 0.00 C ATOM 805 C SER A 153 6.157 -9.199 -11.448 1.00 0.00 C ATOM 806 O SER A 153 5.103 -9.794 -11.672 1.00 0.00 O ATOM 807 CB SER A 153 5.436 -7.062 -12.531 1.00 0.00 C ATOM 808 OG SER A 153 6.260 -6.990 -13.682 1.00 0.00 O ATOM 0 H SER A 153 8.104 -7.392 -12.164 1.00 0.00 H new ATOM 0 HA SER A 153 5.706 -7.378 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.550 -7.658 -12.750 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.090 -6.063 -12.265 1.00 0.00 H new ATOM 0 HG SER A 153 5.754 -6.595 -14.423 1.00 0.00 H new ATOM 814 N SER A 154 7.318 -9.823 -11.278 1.00 0.00 N ATOM 815 CA SER A 154 7.423 -11.276 -11.350 1.00 0.00 C ATOM 816 C SER A 154 8.790 -11.747 -10.864 1.00 0.00 C ATOM 817 O SER A 154 9.744 -11.825 -11.639 1.00 0.00 O ATOM 818 CB SER A 154 7.185 -11.755 -12.783 1.00 0.00 C ATOM 819 OG SER A 154 7.784 -10.878 -13.720 1.00 0.00 O ATOM 0 H SER A 154 8.199 -9.345 -11.089 1.00 0.00 H new ATOM 0 HA SER A 154 6.659 -11.703 -10.700 1.00 0.00 H new ATOM 0 HB2 SER A 154 7.593 -12.758 -12.907 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.114 -11.821 -12.975 1.00 0.00 H new ATOM 0 HG SER A 154 8.734 -10.768 -13.504 1.00 0.00 H new ATOM 825 N CYS A 155 8.878 -12.060 -9.576 1.00 0.00 N ATOM 826 CA CYS A 155 10.128 -12.523 -8.985 1.00 0.00 C ATOM 827 C CYS A 155 10.500 -13.906 -9.512 1.00 0.00 C ATOM 828 O CYS A 155 9.870 -14.905 -9.166 1.00 0.00 O ATOM 829 CB CYS A 155 10.011 -12.562 -7.460 1.00 0.00 C ATOM 830 SG CYS A 155 11.229 -13.646 -6.648 1.00 0.00 S ATOM 0 H CYS A 155 8.098 -12.001 -8.921 1.00 0.00 H new ATOM 0 HA CYS A 155 10.915 -11.823 -9.266 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.125 -11.550 -7.072 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.008 -12.895 -7.192 1.00 0.00 H new ATOM 835 N VAL A 156 11.529 -13.955 -10.353 1.00 0.00 N ATOM 836 CA VAL A 156 11.987 -15.214 -10.928 1.00 0.00 C ATOM 837 C VAL A 156 13.481 -15.172 -11.224 1.00 0.00 C ATOM 838 O VAL A 156 13.965 -14.266 -11.902 1.00 0.00 O ATOM 839 CB VAL A 156 11.227 -15.548 -12.225 1.00 0.00 C ATOM 840 CG1 VAL A 156 9.751 -15.779 -11.936 1.00 0.00 C ATOM 841 CG2 VAL A 156 11.410 -14.439 -13.250 1.00 0.00 C ATOM 0 H VAL A 156 12.061 -13.137 -10.651 1.00 0.00 H new ATOM 0 HA VAL A 156 11.788 -15.990 -10.189 1.00 0.00 H new ATOM 0 HB VAL A 156 11.639 -16.468 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 156 9.231 -16.014 -12.865 1.00 0.00 H new ATOM 0 HG12 VAL A 156 9.642 -16.610 -11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.321 -14.879 -11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 156 10.866 -14.692 -14.160 1.00 0.00 H new ATOM 0 HG22 VAL A 156 11.025 -13.503 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 156 12.470 -14.327 -13.480 1.00 0.00 H new ATOM 987 N LEU A 168 24.016 -11.981 -9.452 1.00 0.00 N ATOM 988 CA LEU A 168 22.886 -12.612 -8.779 1.00 0.00 C ATOM 989 C LEU A 168 21.645 -11.728 -8.853 1.00 0.00 C ATOM 990 O LEU A 168 21.745 -10.501 -8.848 1.00 0.00 O ATOM 991 CB LEU A 168 23.233 -12.901 -7.318 1.00 0.00 C ATOM 992 CG LEU A 168 23.861 -14.267 -7.035 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.190 -14.104 -6.315 1.00 0.00 C ATOM 994 CD2 LEU A 168 22.911 -15.131 -6.218 1.00 0.00 C ATOM 0 HA LEU A 168 22.671 -13.552 -9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 168 23.918 -12.129 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 168 22.323 -12.812 -6.725 1.00 0.00 H new ATOM 0 HG LEU A 168 24.046 -14.766 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.622 -15.086 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 168 25.872 -13.523 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 168 25.030 -13.586 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 168 23.374 -16.099 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 168 22.694 -14.638 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 168 21.983 -15.276 -6.772 1.00 0.00 H new ATOM 1006 N ILE A 169 20.478 -12.359 -8.920 1.00 0.00 N ATOM 1007 CA ILE A 169 19.218 -11.630 -8.991 1.00 0.00 C ATOM 1008 C ILE A 169 18.282 -12.036 -7.858 1.00 0.00 C ATOM 1009 O ILE A 169 17.597 -13.055 -7.940 1.00 0.00 O ATOM 1010 CB ILE A 169 18.507 -11.864 -10.337 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.488 -11.674 -11.496 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.321 -10.922 -10.481 1.00 0.00 C ATOM 1013 CD1 ILE A 169 18.866 -11.899 -12.857 1.00 0.00 C ATOM 0 H ILE A 169 20.379 -13.374 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 169 19.461 -10.572 -8.896 1.00 0.00 H new ATOM 0 HB ILE A 169 18.137 -12.889 -10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.896 -10.664 -11.454 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.325 -12.361 -11.370 1.00 0.00 H new ATOM 0 HG21 ILE A 169 16.829 -11.100 -11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 169 16.614 -11.100 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.669 -9.890 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 169 19.619 -11.747 -13.631 1.00 0.00 H new ATOM 0 HD12 ILE A 169 18.483 -12.918 -12.918 1.00 0.00 H new ATOM 0 HD13 ILE A 169 18.048 -11.194 -13.004 1.00 0.00 H new ATOM 1025 N PHE A 170 18.258 -11.231 -6.801 1.00 0.00 N ATOM 1026 CA PHE A 170 17.405 -11.505 -5.650 1.00 0.00 C ATOM 1027 C PHE A 170 16.071 -10.775 -5.775 1.00 0.00 C ATOM 1028 O PHE A 170 15.985 -9.718 -6.402 1.00 0.00 O ATOM 1029 CB PHE A 170 18.108 -11.089 -4.357 1.00 0.00 C ATOM 1030 CG PHE A 170 18.926 -12.187 -3.739 1.00 0.00 C ATOM 1031 CD1 PHE A 170 18.314 -13.226 -3.056 1.00 0.00 C ATOM 1032 CD2 PHE A 170 20.308 -12.181 -3.841 1.00 0.00 C ATOM 1033 CE1 PHE A 170 19.063 -14.238 -2.487 1.00 0.00 C ATOM 1034 CE2 PHE A 170 21.063 -13.190 -3.275 1.00 0.00 C ATOM 1035 CZ PHE A 170 20.440 -14.220 -2.596 1.00 0.00 C ATOM 0 H PHE A 170 18.819 -10.384 -6.717 1.00 0.00 H new ATOM 0 HA PHE A 170 17.211 -12.577 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 170 18.755 -10.237 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 170 17.360 -10.755 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 170 17.238 -13.245 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 170 20.801 -11.378 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 170 18.573 -15.042 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 170 22.139 -13.174 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 170 21.028 -15.009 -2.152 1.00 0.00 H new ATOM 1045 N CYS A 171 15.032 -11.346 -5.174 1.00 0.00 N ATOM 1046 CA CYS A 171 13.702 -10.751 -5.218 1.00 0.00 C ATOM 1047 C CYS A 171 12.899 -11.124 -3.975 1.00 0.00 C ATOM 1048 O CYS A 171 13.160 -12.144 -3.336 1.00 0.00 O ATOM 1049 CB CYS A 171 12.958 -11.206 -6.475 1.00 0.00 C ATOM 1050 SG CYS A 171 13.063 -12.997 -6.794 1.00 0.00 S ATOM 0 H CYS A 171 15.086 -12.220 -4.651 1.00 0.00 H new ATOM 0 HA CYS A 171 13.816 -9.667 -5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 171 11.909 -10.925 -6.385 1.00 0.00 H new ATOM 0 HB3 CYS A 171 13.359 -10.670 -7.335 1.00 0.00 H new ATOM 1055 N CYS A 172 11.919 -10.292 -3.638 1.00 0.00 N ATOM 1056 CA CYS A 172 11.077 -10.532 -2.473 1.00 0.00 C ATOM 1057 C CYS A 172 9.685 -9.943 -2.677 1.00 0.00 C ATOM 1058 O CYS A 172 9.474 -9.113 -3.561 1.00 0.00 O ATOM 1059 CB CYS A 172 11.719 -9.931 -1.221 1.00 0.00 C ATOM 1060 SG CYS A 172 12.421 -8.269 -1.470 1.00 0.00 S ATOM 0 H CYS A 172 11.689 -9.444 -4.157 1.00 0.00 H new ATOM 0 HA CYS A 172 10.980 -11.610 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 172 10.971 -9.883 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 172 12.508 -10.599 -0.874 1.00 0.00 H new ATOM 1065 N PHE A 173 8.738 -10.377 -1.852 1.00 0.00 N ATOM 1066 CA PHE A 173 7.365 -9.893 -1.941 1.00 0.00 C ATOM 1067 C PHE A 173 6.958 -9.170 -0.660 1.00 0.00 C ATOM 1068 O PHE A 173 5.786 -9.166 -0.283 1.00 0.00 O ATOM 1069 CB PHE A 173 6.408 -11.056 -2.210 1.00 0.00 C ATOM 1070 CG PHE A 173 6.935 -12.047 -3.208 1.00 0.00 C ATOM 1071 CD1 PHE A 173 7.751 -13.091 -2.803 1.00 0.00 C ATOM 1072 CD2 PHE A 173 6.614 -11.934 -4.551 1.00 0.00 C ATOM 1073 CE1 PHE A 173 8.237 -14.005 -3.719 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.097 -12.845 -5.472 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.910 -13.881 -5.056 1.00 0.00 C ATOM 0 H PHE A 173 8.896 -11.063 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 173 7.309 -9.186 -2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.202 -11.571 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 173 5.459 -10.659 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 173 8.010 -13.192 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 173 5.979 -11.125 -4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 173 8.871 -14.815 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 173 6.839 -12.747 -6.516 1.00 0.00 H new ATOM 0 HZ PHE A 173 8.289 -14.593 -5.774 1.00 0.00 H new ATOM 1085 N ARG A 174 7.935 -8.561 0.004 1.00 0.00 N ATOM 1086 CA ARG A 174 7.680 -7.837 1.244 1.00 0.00 C ATOM 1087 C ARG A 174 8.397 -6.490 1.243 1.00 0.00 C ATOM 1088 O ARG A 174 9.548 -6.388 0.820 1.00 0.00 O ATOM 1089 CB ARG A 174 8.132 -8.667 2.446 1.00 0.00 C ATOM 1090 CG ARG A 174 7.233 -9.857 2.738 1.00 0.00 C ATOM 1091 CD ARG A 174 7.973 -11.173 2.559 1.00 0.00 C ATOM 1092 NE ARG A 174 7.140 -12.322 2.904 1.00 0.00 N ATOM 1093 CZ ARG A 174 6.864 -12.679 4.154 1.00 0.00 C ATOM 1094 NH1 ARG A 174 7.351 -11.981 5.170 1.00 0.00 N ATOM 1095 NH2 ARG A 174 6.098 -13.737 4.388 1.00 0.00 N ATOM 0 H ARG A 174 8.910 -8.554 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 174 6.607 -7.658 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.147 -9.024 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.169 -8.026 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.855 -9.787 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 174 6.368 -9.832 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 174 8.305 -11.264 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.867 -11.174 3.182 1.00 0.00 H new ATOM 0 HE ARG A 174 6.749 -12.880 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 174 7.940 -11.167 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 174 7.137 -12.258 6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 174 5.721 -14.276 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 174 5.886 -14.011 5.347 1.00 0.00 H new ATOM 1109 N ASP A 175 7.707 -5.459 1.720 1.00 0.00 N ATOM 1110 CA ASP A 175 8.278 -4.118 1.775 1.00 0.00 C ATOM 1111 C ASP A 175 9.590 -4.117 2.554 1.00 0.00 C ATOM 1112 O ASP A 175 9.640 -4.548 3.707 1.00 0.00 O ATOM 1113 CB ASP A 175 7.288 -3.146 2.419 1.00 0.00 C ATOM 1114 CG ASP A 175 5.873 -3.338 1.910 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.244 -4.353 2.275 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.395 -2.475 1.144 1.00 0.00 O ATOM 0 H ASP A 175 6.753 -5.526 2.074 1.00 0.00 H new ATOM 0 HA ASP A 175 8.482 -3.795 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.303 -3.280 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.607 -2.123 2.220 1.00 0.00 H new ATOM 1121 N LEU A 176 10.649 -3.633 1.916 1.00 0.00 N ATOM 1122 CA LEU A 176 11.963 -3.577 2.548 1.00 0.00 C ATOM 1123 C LEU A 176 12.363 -4.943 3.096 1.00 0.00 C ATOM 1124 O LEU A 176 12.942 -5.045 4.178 1.00 0.00 O ATOM 1125 CB LEU A 176 11.965 -2.542 3.675 1.00 0.00 C ATOM 1126 CG LEU A 176 11.275 -1.213 3.367 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.480 -0.228 4.508 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.794 -0.633 2.060 1.00 0.00 C ATOM 0 H LEU A 176 10.624 -3.274 0.962 1.00 0.00 H new ATOM 0 HA LEU A 176 12.690 -3.283 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.485 -2.984 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.999 -2.336 3.950 1.00 0.00 H new ATOM 0 HG LEU A 176 10.206 -1.397 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.982 0.712 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 176 11.059 -0.641 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.546 -0.049 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.292 0.313 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.868 -0.464 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.595 -1.332 1.247 1.00 0.00 H new ATOM 1140 N CYS A 177 12.051 -5.991 2.341 1.00 0.00 N ATOM 1141 CA CYS A 177 12.379 -7.352 2.749 1.00 0.00 C ATOM 1142 C CYS A 177 13.815 -7.436 3.259 1.00 0.00 C ATOM 1143 O CYS A 177 14.134 -8.266 4.109 1.00 0.00 O ATOM 1144 CB CYS A 177 12.184 -8.318 1.579 1.00 0.00 C ATOM 1145 SG CYS A 177 13.542 -8.300 0.365 1.00 0.00 S ATOM 0 H CYS A 177 11.571 -5.924 1.443 1.00 0.00 H new ATOM 0 HA CYS A 177 11.707 -7.634 3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.075 -9.329 1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.252 -8.071 1.070 1.00 0.00 H new ATOM 1150 N ASN A 178 14.675 -6.571 2.733 1.00 0.00 N ATOM 1151 CA ASN A 178 16.077 -6.547 3.134 1.00 0.00 C ATOM 1152 C ASN A 178 16.685 -5.166 2.908 1.00 0.00 C ATOM 1153 O ASN A 178 16.553 -4.588 1.830 1.00 0.00 O ATOM 1154 CB ASN A 178 16.870 -7.599 2.356 1.00 0.00 C ATOM 1155 CG ASN A 178 17.236 -7.131 0.960 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.520 -7.401 -0.005 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.355 -6.426 0.847 1.00 0.00 N ATOM 0 H ASN A 178 14.426 -5.877 2.028 1.00 0.00 H new ATOM 0 HA ASN A 178 16.128 -6.777 4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.780 -7.844 2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.283 -8.515 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 178 18.652 -6.084 -0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 178 18.917 -6.226 1.674 1.00 0.00 H new