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 153 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 154 SER OG : rot 55:sc= 0.00028 USER MOD Set 2.1: A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 152 SER OG : rot -128:sc= 0.0664 USER MOD Set 3.1: A 131 THR OG1 : rot 86:sc= 0.00507 USER MOD Set 3.2: A 148 THR OG1 : rot 180:sc= -0.0502 USER MOD Set 4.1: A 130 THR OG1 : rot 87:sc= 0.124 USER MOD Set 4.2: A 178 ASN : amide:sc= -0.997 K(o=-0.87,f=-5.2!) USER MOD Set 5.1: A 105 THR OG1 : rot 0:sc= -0.577! USER MOD Set 5.2: A 119 THR OG1 : rot -0:sc= 0 USER MOD Single : A 100 MET CE :methyl -161:sc= -0.198 (180deg=-1.03) USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= -0.108 (180deg=-0.677) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.104 USER MOD Single : A 117 THR OG1 : rot 27:sc= 0.372 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 91:sc= 0.0113 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.184 -1.007 -0.791 1.00 0.00 N ATOM 2 CA MET A 100 1.757 -1.399 -2.074 1.00 0.00 C ATOM 3 C MET A 100 3.175 -1.933 -1.896 1.00 0.00 C ATOM 4 O MET A 100 3.747 -1.853 -0.808 1.00 0.00 O ATOM 5 CB MET A 100 1.764 -0.211 -3.038 1.00 0.00 C ATOM 6 CG MET A 100 2.409 1.038 -2.459 1.00 0.00 C ATOM 7 SD MET A 100 1.228 2.377 -2.206 1.00 0.00 S ATOM 8 CE MET A 100 1.731 3.518 -3.491 1.00 0.00 C ATOM 0 HA MET A 100 1.139 -2.193 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.293 -0.495 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.738 0.020 -3.325 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.881 0.791 -1.508 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.199 1.378 -3.128 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.345 4.512 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.819 3.554 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.335 3.183 -4.450 1.00 0.00 H new ATOM 18 N LEU A 101 3.736 -2.477 -2.970 1.00 0.00 N ATOM 19 CA LEU A 101 5.088 -3.024 -2.932 1.00 0.00 C ATOM 20 C LEU A 101 6.124 -1.909 -2.839 1.00 0.00 C ATOM 21 O LEU A 101 6.169 -1.015 -3.684 1.00 0.00 O ATOM 22 CB LEU A 101 5.349 -3.875 -4.176 1.00 0.00 C ATOM 23 CG LEU A 101 6.268 -5.082 -3.982 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.928 -5.467 -5.297 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.319 -4.787 -2.922 1.00 0.00 C ATOM 0 H LEU A 101 3.276 -2.551 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 101 5.175 -3.651 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.391 -4.230 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.780 -3.235 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 101 5.664 -5.923 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.578 -6.328 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.161 -5.721 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.519 -4.629 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.964 -5.657 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.919 -3.932 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.828 -4.561 -1.976 1.00 0.00 H new ATOM 37 N LYS A 102 6.958 -1.969 -1.806 1.00 0.00 N ATOM 38 CA LYS A 102 7.998 -0.967 -1.602 1.00 0.00 C ATOM 39 C LYS A 102 9.335 -1.628 -1.284 1.00 0.00 C ATOM 40 O LYS A 102 9.394 -2.608 -0.541 1.00 0.00 O ATOM 41 CB LYS A 102 7.604 -0.016 -0.470 1.00 0.00 C ATOM 42 CG LYS A 102 6.289 0.704 -0.710 1.00 0.00 C ATOM 43 CD LYS A 102 5.252 0.337 0.339 1.00 0.00 C ATOM 44 CE LYS A 102 5.525 1.037 1.661 1.00 0.00 C ATOM 45 NZ LYS A 102 5.484 2.519 1.523 1.00 0.00 N ATOM 0 H LYS A 102 6.934 -2.702 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 102 8.105 -0.397 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.535 -0.581 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.394 0.723 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.455 1.781 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.911 0.452 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.259 0.608 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.253 -0.742 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.787 0.720 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.502 0.734 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.284 2.948 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.402 2.861 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.737 2.784 0.850 1.00 0.00 H new ATOM 59 N CYS A 103 10.408 -1.084 -1.849 1.00 0.00 N ATOM 60 CA CYS A 103 11.745 -1.619 -1.625 1.00 0.00 C ATOM 61 C CYS A 103 12.748 -0.495 -1.380 1.00 0.00 C ATOM 62 O CYS A 103 12.453 0.676 -1.620 1.00 0.00 O ATOM 63 CB CYS A 103 12.188 -2.461 -2.823 1.00 0.00 C ATOM 64 SG CYS A 103 11.750 -4.224 -2.696 1.00 0.00 S ATOM 0 H CYS A 103 10.377 -0.272 -2.466 1.00 0.00 H new ATOM 0 HA CYS A 103 11.711 -2.251 -0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.739 -2.051 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.269 -2.373 -2.935 1.00 0.00 H new ATOM 69 N TYR A 104 13.932 -0.859 -0.902 1.00 0.00 N ATOM 70 CA TYR A 104 14.977 0.118 -0.623 1.00 0.00 C ATOM 71 C TYR A 104 15.675 0.552 -1.908 1.00 0.00 C ATOM 72 O TYR A 104 16.818 0.173 -2.167 1.00 0.00 O ATOM 73 CB TYR A 104 16.000 -0.463 0.355 1.00 0.00 C ATOM 74 CG TYR A 104 15.509 -0.516 1.784 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.338 0.647 2.525 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.216 -1.730 2.394 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.891 0.602 3.831 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.766 -1.784 3.699 1.00 0.00 C ATOM 79 CZ TYR A 104 14.606 -0.615 4.413 1.00 0.00 C ATOM 80 OH TYR A 104 14.159 -0.663 5.714 1.00 0.00 O ATOM 0 H TYR A 104 14.192 -1.824 -0.699 1.00 0.00 H new ATOM 0 HA TYR A 104 14.509 0.993 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.266 -1.470 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.910 0.136 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.558 1.602 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.342 -2.647 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.765 1.515 4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.541 -2.736 4.157 1.00 0.00 H new ATOM 0 HH TYR A 104 14.003 -1.595 5.972 1.00 0.00 H new ATOM 90 N THR A 105 14.979 1.350 -2.712 1.00 0.00 N ATOM 91 CA THR A 105 15.529 1.836 -3.971 1.00 0.00 C ATOM 92 C THR A 105 16.032 3.268 -3.834 1.00 0.00 C ATOM 93 O THR A 105 15.319 4.143 -3.343 1.00 0.00 O ATOM 94 CB THR A 105 14.484 1.776 -5.101 1.00 0.00 C ATOM 95 OG1 THR A 105 13.642 2.933 -5.050 1.00 0.00 O ATOM 96 CG2 THR A 105 13.635 0.519 -4.987 1.00 0.00 C ATOM 0 H THR A 105 14.032 1.674 -2.513 1.00 0.00 H new ATOM 0 HA THR A 105 16.364 1.183 -4.224 1.00 0.00 H new ATOM 0 HB THR A 105 15.012 1.753 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.919 3.506 -4.305 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.904 0.499 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.276 -0.360 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.116 0.516 -4.029 1.00 0.00 H new ATOM 104 N CYS A 106 17.265 3.501 -4.273 1.00 0.00 N ATOM 105 CA CYS A 106 17.864 4.828 -4.201 1.00 0.00 C ATOM 106 C CYS A 106 17.408 5.696 -5.370 1.00 0.00 C ATOM 107 O CYS A 106 16.576 5.282 -6.178 1.00 0.00 O ATOM 108 CB CYS A 106 19.391 4.722 -4.195 1.00 0.00 C ATOM 109 SG CYS A 106 20.071 3.726 -5.560 1.00 0.00 S ATOM 0 H CYS A 106 17.868 2.788 -4.682 1.00 0.00 H new ATOM 0 HA CYS A 106 17.535 5.297 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.815 5.725 -4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.711 4.288 -3.248 1.00 0.00 H new ATOM 0 HG CYS A 106 21.368 3.697 -5.472 1.00 0.00 H new ATOM 262 N THR A 117 16.914 3.357 0.190 1.00 0.00 N ATOM 263 CA THR A 117 15.873 4.331 0.494 1.00 0.00 C ATOM 264 C THR A 117 14.486 3.746 0.254 1.00 0.00 C ATOM 265 O THR A 117 14.242 3.100 -0.766 1.00 0.00 O ATOM 266 CB THR A 117 16.033 5.607 -0.353 1.00 0.00 C ATOM 267 OG1 THR A 117 17.418 5.961 -0.449 1.00 0.00 O ATOM 268 CG2 THR A 117 15.251 6.762 0.254 1.00 0.00 C ATOM 0 HA THR A 117 15.979 4.588 1.548 1.00 0.00 H new ATOM 0 HB THR A 117 15.639 5.406 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.969 5.156 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.380 7.652 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.194 6.502 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.619 6.961 1.261 1.00 0.00 H new ATOM 276 N ILE A 118 13.580 3.978 1.198 1.00 0.00 N ATOM 277 CA ILE A 118 12.216 3.475 1.087 1.00 0.00 C ATOM 278 C ILE A 118 11.479 4.136 -0.074 1.00 0.00 C ATOM 279 O ILE A 118 11.229 5.342 -0.060 1.00 0.00 O ATOM 280 CB ILE A 118 11.422 3.711 2.385 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.102 3.005 3.560 1.00 0.00 C ATOM 282 CG2 ILE A 118 9.989 3.224 2.225 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.345 3.136 4.863 1.00 0.00 C ATOM 0 H ILE A 118 13.766 4.511 2.048 1.00 0.00 H new ATOM 0 HA ILE A 118 12.289 2.403 0.905 1.00 0.00 H new ATOM 0 HB ILE A 118 11.401 4.781 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.217 1.948 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.104 3.414 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.440 3.398 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.509 3.767 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.990 2.158 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.885 2.612 5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.252 4.190 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.352 2.701 4.752 1.00 0.00 H new ATOM 295 N THR A 119 11.132 3.338 -1.078 1.00 0.00 N ATOM 296 CA THR A 119 10.423 3.844 -2.247 1.00 0.00 C ATOM 297 C THR A 119 9.268 2.925 -2.630 1.00 0.00 C ATOM 298 O THR A 119 9.364 1.705 -2.499 1.00 0.00 O ATOM 299 CB THR A 119 11.367 3.995 -3.455 1.00 0.00 C ATOM 300 OG1 THR A 119 12.299 5.055 -3.218 1.00 0.00 O ATOM 301 CG2 THR A 119 10.579 4.279 -4.725 1.00 0.00 C ATOM 0 H THR A 119 11.330 2.338 -1.105 1.00 0.00 H new ATOM 0 HA THR A 119 10.030 4.824 -1.978 1.00 0.00 H new ATOM 0 HB THR A 119 11.909 3.058 -3.585 1.00 0.00 H new ATOM 0 HG1 THR A 119 12.124 5.455 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.267 4.382 -5.565 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.891 3.456 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.014 5.203 -4.604 1.00 0.00 H new ATOM 309 N ARG A 120 8.178 3.519 -3.105 1.00 0.00 N ATOM 310 CA ARG A 120 7.005 2.753 -3.507 1.00 0.00 C ATOM 311 C ARG A 120 7.090 2.360 -4.979 1.00 0.00 C ATOM 312 O ARG A 120 7.269 3.212 -5.851 1.00 0.00 O ATOM 313 CB ARG A 120 5.731 3.563 -3.258 1.00 0.00 C ATOM 314 CG ARG A 120 5.791 4.423 -2.006 1.00 0.00 C ATOM 315 CD ARG A 120 4.405 4.873 -1.572 1.00 0.00 C ATOM 316 NE ARG A 120 4.462 5.869 -0.505 1.00 0.00 N ATOM 317 CZ ARG A 120 4.834 7.130 -0.697 1.00 0.00 C ATOM 318 NH1 ARG A 120 5.180 7.546 -1.907 1.00 0.00 N ATOM 319 NH2 ARG A 120 4.860 7.978 0.324 1.00 0.00 N ATOM 0 H ARG A 120 8.083 4.528 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 120 6.973 1.844 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.544 4.203 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.886 2.879 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.261 3.861 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.416 5.296 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.874 5.289 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.834 4.009 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 120 4.202 5.581 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 120 5.161 6.897 -2.694 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.465 8.515 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.594 7.662 1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.146 8.946 0.176 1.00 0.00 H new ATOM 333 N CYS A 121 6.962 1.066 -5.249 1.00 0.00 N ATOM 334 CA CYS A 121 7.026 0.558 -6.614 1.00 0.00 C ATOM 335 C CYS A 121 5.763 0.923 -7.389 1.00 0.00 C ATOM 336 O CYS A 121 4.825 1.499 -6.836 1.00 0.00 O ATOM 337 CB CYS A 121 7.213 -0.960 -6.608 1.00 0.00 C ATOM 338 SG CYS A 121 8.812 -1.509 -5.931 1.00 0.00 S ATOM 0 H CYS A 121 6.813 0.349 -4.539 1.00 0.00 H new ATOM 0 HA CYS A 121 7.881 1.020 -7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.410 -1.412 -6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.116 -1.331 -7.628 1.00 0.00 H new ATOM 343 N LYS A 122 5.745 0.584 -8.674 1.00 0.00 N ATOM 344 CA LYS A 122 4.599 0.874 -9.527 1.00 0.00 C ATOM 345 C LYS A 122 3.517 -0.189 -9.363 1.00 0.00 C ATOM 346 O LYS A 122 3.767 -1.295 -8.882 1.00 0.00 O ATOM 347 CB LYS A 122 5.033 0.953 -10.992 1.00 0.00 C ATOM 348 CG LYS A 122 5.736 2.252 -11.348 1.00 0.00 C ATOM 349 CD LYS A 122 5.765 2.476 -12.850 1.00 0.00 C ATOM 350 CE LYS A 122 7.163 2.281 -13.417 1.00 0.00 C ATOM 351 NZ LYS A 122 7.801 3.576 -13.780 1.00 0.00 N ATOM 0 H LYS A 122 6.512 0.107 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 122 4.188 1.837 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.698 0.118 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.156 0.838 -11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.228 3.086 -10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.755 2.233 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.075 1.785 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.418 3.484 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.783 1.764 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.111 1.642 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.752 3.399 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.223 4.058 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.874 4.176 -12.934 1.00 0.00 H new ATOM 365 N PRO A 123 2.286 0.149 -9.775 1.00 0.00 N ATOM 366 CA PRO A 123 1.143 -0.764 -9.686 1.00 0.00 C ATOM 367 C PRO A 123 1.254 -1.930 -10.662 1.00 0.00 C ATOM 368 O PRO A 123 0.738 -3.016 -10.406 1.00 0.00 O ATOM 369 CB PRO A 123 -0.050 0.125 -10.048 1.00 0.00 C ATOM 370 CG PRO A 123 0.529 1.211 -10.888 1.00 0.00 C ATOM 371 CD PRO A 123 1.916 1.449 -10.358 1.00 0.00 C ATOM 0 HA PRO A 123 1.066 -1.225 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.810 -0.435 -10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.529 0.527 -9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.557 0.919 -11.938 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.074 2.117 -10.825 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.604 1.744 -11.150 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.930 2.243 -9.611 1.00 0.00 H new ATOM 379 N GLU A 124 1.932 -1.695 -11.781 1.00 0.00 N ATOM 380 CA GLU A 124 2.111 -2.727 -12.796 1.00 0.00 C ATOM 381 C GLU A 124 3.140 -3.760 -12.346 1.00 0.00 C ATOM 382 O GLU A 124 3.143 -4.896 -12.820 1.00 0.00 O ATOM 383 CB GLU A 124 2.547 -2.100 -14.122 1.00 0.00 C ATOM 384 CG GLU A 124 3.744 -1.174 -13.993 1.00 0.00 C ATOM 385 CD GLU A 124 3.485 0.200 -14.581 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.431 0.791 -14.267 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.337 0.683 -15.355 1.00 0.00 O ATOM 0 H GLU A 124 2.366 -0.800 -12.008 1.00 0.00 H new ATOM 0 HA GLU A 124 1.155 -3.230 -12.938 1.00 0.00 H new ATOM 0 HB2 GLU A 124 2.788 -2.895 -14.828 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.710 -1.542 -14.543 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.007 -1.071 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 124 4.602 -1.623 -14.493 1.00 0.00 H new ATOM 394 N ASP A 125 4.013 -3.356 -11.430 1.00 0.00 N ATOM 395 CA ASP A 125 5.048 -4.245 -10.915 1.00 0.00 C ATOM 396 C ASP A 125 4.438 -5.354 -10.063 1.00 0.00 C ATOM 397 O ASP A 125 3.220 -5.421 -9.891 1.00 0.00 O ATOM 398 CB ASP A 125 6.067 -3.455 -10.092 1.00 0.00 C ATOM 399 CG ASP A 125 7.227 -2.957 -10.931 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.669 -3.699 -11.834 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.694 -1.825 -10.685 1.00 0.00 O ATOM 0 H ASP A 125 4.025 -2.418 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 125 5.555 -4.702 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.571 -2.606 -9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.448 -4.085 -9.288 1.00 0.00 H new ATOM 406 N THR A 126 5.292 -6.223 -9.532 1.00 0.00 N ATOM 407 CA THR A 126 4.837 -7.330 -8.700 1.00 0.00 C ATOM 408 C THR A 126 5.890 -7.709 -7.665 1.00 0.00 C ATOM 409 O THR A 126 5.568 -7.981 -6.509 1.00 0.00 O ATOM 410 CB THR A 126 4.500 -8.570 -9.550 1.00 0.00 C ATOM 411 OG1 THR A 126 5.683 -9.065 -10.185 1.00 0.00 O ATOM 412 CG2 THR A 126 3.454 -8.236 -10.603 1.00 0.00 C ATOM 0 H THR A 126 6.303 -6.182 -9.663 1.00 0.00 H new ATOM 0 HA THR A 126 3.935 -6.992 -8.190 1.00 0.00 H new ATOM 0 HB THR A 126 4.095 -9.337 -8.890 1.00 0.00 H new ATOM 0 HG1 THR A 126 6.107 -9.735 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 126 3.232 -9.127 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.544 -7.888 -10.114 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.835 -7.454 -11.259 1.00 0.00 H new ATOM 420 N ALA A 127 7.150 -7.724 -8.087 1.00 0.00 N ATOM 421 CA ALA A 127 8.251 -8.066 -7.196 1.00 0.00 C ATOM 422 C ALA A 127 9.348 -7.008 -7.246 1.00 0.00 C ATOM 423 O ALA A 127 9.215 -5.994 -7.931 1.00 0.00 O ATOM 424 CB ALA A 127 8.815 -9.433 -7.555 1.00 0.00 C ATOM 0 H ALA A 127 7.434 -7.503 -9.042 1.00 0.00 H new ATOM 0 HA ALA A 127 7.864 -8.101 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.637 -9.676 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.033 -10.186 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.180 -9.418 -8.582 1.00 0.00 H new ATOM 430 N CYS A 128 10.431 -7.251 -6.516 1.00 0.00 N ATOM 431 CA CYS A 128 11.552 -6.319 -6.477 1.00 0.00 C ATOM 432 C CYS A 128 12.812 -6.959 -7.053 1.00 0.00 C ATOM 433 O CYS A 128 12.869 -8.172 -7.252 1.00 0.00 O ATOM 434 CB CYS A 128 11.811 -5.861 -5.040 1.00 0.00 C ATOM 435 SG CYS A 128 10.672 -4.564 -4.457 1.00 0.00 S ATOM 0 H CYS A 128 10.556 -8.086 -5.943 1.00 0.00 H new ATOM 0 HA CYS A 128 11.294 -5.453 -7.087 1.00 0.00 H new ATOM 0 HB2 CYS A 128 11.735 -6.722 -4.376 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.834 -5.491 -4.966 1.00 0.00 H new ATOM 440 N MET A 129 13.819 -6.133 -7.318 1.00 0.00 N ATOM 441 CA MET A 129 15.079 -6.618 -7.870 1.00 0.00 C ATOM 442 C MET A 129 16.266 -6.036 -7.109 1.00 0.00 C ATOM 443 O MET A 129 16.212 -4.906 -6.624 1.00 0.00 O ATOM 444 CB MET A 129 15.183 -6.258 -9.353 1.00 0.00 C ATOM 445 CG MET A 129 15.763 -7.371 -10.210 1.00 0.00 C ATOM 446 SD MET A 129 15.456 -7.125 -11.970 1.00 0.00 S ATOM 447 CE MET A 129 14.832 -8.738 -12.434 1.00 0.00 C ATOM 0 H MET A 129 13.787 -5.126 -7.160 1.00 0.00 H new ATOM 0 HA MET A 129 15.099 -7.703 -7.765 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.191 -6.002 -9.727 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.803 -5.368 -9.460 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.837 -7.434 -10.038 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.334 -8.324 -9.900 1.00 0.00 H new ATOM 0 HE1 MET A 129 14.596 -8.745 -13.498 1.00 0.00 H new ATOM 0 HE2 MET A 129 15.588 -9.495 -12.225 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.931 -8.958 -11.861 1.00 0.00 H new ATOM 457 N THR A 130 17.338 -6.816 -7.007 1.00 0.00 N ATOM 458 CA THR A 130 18.537 -6.379 -6.304 1.00 0.00 C ATOM 459 C THR A 130 19.797 -6.780 -7.063 1.00 0.00 C ATOM 460 O THR A 130 19.953 -7.934 -7.462 1.00 0.00 O ATOM 461 CB THR A 130 18.599 -6.966 -4.881 1.00 0.00 C ATOM 462 OG1 THR A 130 17.446 -6.564 -4.134 1.00 0.00 O ATOM 463 CG2 THR A 130 19.861 -6.511 -4.163 1.00 0.00 C ATOM 0 H THR A 130 17.400 -7.754 -7.403 1.00 0.00 H new ATOM 0 HA THR A 130 18.487 -5.292 -6.239 1.00 0.00 H new ATOM 0 HB THR A 130 18.617 -8.053 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 130 16.718 -7.202 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.883 -6.938 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.737 -6.846 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.869 -5.423 -4.095 1.00 0.00 H new ATOM 471 N THR A 131 20.695 -5.819 -7.259 1.00 0.00 N ATOM 472 CA THR A 131 21.941 -6.072 -7.971 1.00 0.00 C ATOM 473 C THR A 131 23.147 -5.833 -7.069 1.00 0.00 C ATOM 474 O THR A 131 23.585 -4.696 -6.890 1.00 0.00 O ATOM 475 CB THR A 131 22.065 -5.181 -9.221 1.00 0.00 C ATOM 476 OG1 THR A 131 20.851 -5.230 -9.979 1.00 0.00 O ATOM 477 CG2 THR A 131 23.230 -5.628 -10.091 1.00 0.00 C ATOM 0 H THR A 131 20.582 -4.859 -6.934 1.00 0.00 H new ATOM 0 HA THR A 131 21.922 -7.117 -8.280 1.00 0.00 H new ATOM 0 HB THR A 131 22.248 -4.157 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.222 -4.563 -9.633 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.298 -4.984 -10.968 1.00 0.00 H new ATOM 0 HG22 THR A 131 24.156 -5.562 -9.520 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.072 -6.658 -10.409 1.00 0.00 H new ATOM 733 N THR A 148 22.588 -1.636 -7.530 1.00 0.00 N ATOM 734 CA THR A 148 21.373 -0.980 -7.996 1.00 0.00 C ATOM 735 C THR A 148 20.132 -1.761 -7.580 1.00 0.00 C ATOM 736 O THR A 148 19.963 -2.922 -7.954 1.00 0.00 O ATOM 737 CB THR A 148 21.373 -0.818 -9.528 1.00 0.00 C ATOM 738 OG1 THR A 148 21.707 -2.063 -10.152 1.00 0.00 O ATOM 739 CG2 THR A 148 22.365 0.253 -9.959 1.00 0.00 C ATOM 0 HA THR A 148 21.351 0.007 -7.534 1.00 0.00 H new ATOM 0 HB THR A 148 20.374 -0.512 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.704 -1.952 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.347 0.350 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.092 1.206 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.367 -0.028 -9.636 1.00 0.00 H new ATOM 747 N ARG A 149 19.266 -1.118 -6.804 1.00 0.00 N ATOM 748 CA ARG A 149 18.040 -1.753 -6.336 1.00 0.00 C ATOM 749 C ARG A 149 16.812 -1.078 -6.941 1.00 0.00 C ATOM 750 O ARG A 149 16.618 0.128 -6.791 1.00 0.00 O ATOM 751 CB ARG A 149 17.963 -1.701 -4.809 1.00 0.00 C ATOM 752 CG ARG A 149 17.237 -2.886 -4.195 1.00 0.00 C ATOM 753 CD ARG A 149 17.003 -2.685 -2.706 1.00 0.00 C ATOM 754 NE ARG A 149 18.192 -2.173 -2.029 1.00 0.00 N ATOM 755 CZ ARG A 149 19.286 -2.895 -1.818 1.00 0.00 C ATOM 756 NH1 ARG A 149 19.343 -4.154 -2.229 1.00 0.00 N ATOM 757 NH2 ARG A 149 20.327 -2.358 -1.195 1.00 0.00 N ATOM 0 H ARG A 149 19.391 -0.157 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 149 18.056 -2.795 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.974 -1.656 -4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.458 -0.782 -4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.281 -3.029 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.820 -3.793 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 149 16.175 -1.991 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.708 -3.632 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 149 18.181 -1.207 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 149 18.545 -4.570 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 149 20.185 -4.706 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 149 20.287 -1.389 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 149 21.167 -2.914 -1.033 1.00 0.00 H new ATOM 771 N SER A 150 15.988 -1.865 -7.625 1.00 0.00 N ATOM 772 CA SER A 150 14.781 -1.342 -8.257 1.00 0.00 C ATOM 773 C SER A 150 13.679 -2.397 -8.278 1.00 0.00 C ATOM 774 O SER A 150 13.912 -3.562 -7.954 1.00 0.00 O ATOM 775 CB SER A 150 15.087 -0.878 -9.682 1.00 0.00 C ATOM 776 OG SER A 150 14.241 0.194 -10.061 1.00 0.00 O ATOM 0 H SER A 150 16.133 -2.866 -7.756 1.00 0.00 H new ATOM 0 HA SER A 150 14.433 -0.490 -7.672 1.00 0.00 H new ATOM 0 HB2 SER A 150 16.129 -0.565 -9.750 1.00 0.00 H new ATOM 0 HB3 SER A 150 14.958 -1.710 -10.374 1.00 0.00 H new ATOM 0 HG SER A 150 14.457 0.474 -10.975 1.00 0.00 H new ATOM 782 N CYS A 151 12.477 -1.980 -8.662 1.00 0.00 N ATOM 783 CA CYS A 151 11.337 -2.886 -8.726 1.00 0.00 C ATOM 784 C CYS A 151 11.414 -3.769 -9.968 1.00 0.00 C ATOM 785 O CYS A 151 12.190 -3.502 -10.886 1.00 0.00 O ATOM 786 CB CYS A 151 10.029 -2.094 -8.730 1.00 0.00 C ATOM 787 SG CYS A 151 9.993 -0.713 -7.543 1.00 0.00 S ATOM 0 H CYS A 151 12.268 -1.019 -8.934 1.00 0.00 H new ATOM 0 HA CYS A 151 11.363 -3.526 -7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.857 -1.702 -9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.205 -2.772 -8.507 1.00 0.00 H new ATOM 792 N SER A 152 10.603 -4.822 -9.990 1.00 0.00 N ATOM 793 CA SER A 152 10.580 -5.747 -11.117 1.00 0.00 C ATOM 794 C SER A 152 9.196 -6.367 -11.283 1.00 0.00 C ATOM 795 O SER A 152 8.532 -6.701 -10.303 1.00 0.00 O ATOM 796 CB SER A 152 11.625 -6.848 -10.922 1.00 0.00 C ATOM 797 OG SER A 152 11.542 -7.818 -11.952 1.00 0.00 O ATOM 0 H SER A 152 9.953 -5.056 -9.240 1.00 0.00 H new ATOM 0 HA SER A 152 10.818 -5.186 -12.021 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.623 -6.409 -10.911 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.477 -7.327 -9.954 1.00 0.00 H new ATOM 0 HG SER A 152 11.483 -8.712 -11.555 1.00 0.00 H new ATOM 803 N SER A 153 8.769 -6.518 -12.533 1.00 0.00 N ATOM 804 CA SER A 153 7.463 -7.094 -12.830 1.00 0.00 C ATOM 805 C SER A 153 7.575 -8.595 -13.077 1.00 0.00 C ATOM 806 O SER A 153 6.662 -9.216 -13.622 1.00 0.00 O ATOM 807 CB SER A 153 6.845 -6.409 -14.050 1.00 0.00 C ATOM 808 OG SER A 153 7.652 -6.592 -15.201 1.00 0.00 O ATOM 0 H SER A 153 9.309 -6.249 -13.356 1.00 0.00 H new ATOM 0 HA SER A 153 6.817 -6.933 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 153 5.849 -6.813 -14.232 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.725 -5.344 -13.851 1.00 0.00 H new ATOM 0 HG SER A 153 7.235 -6.146 -15.967 1.00 0.00 H new ATOM 814 N SER A 154 8.701 -9.173 -12.672 1.00 0.00 N ATOM 815 CA SER A 154 8.936 -10.601 -12.852 1.00 0.00 C ATOM 816 C SER A 154 10.199 -11.041 -12.119 1.00 0.00 C ATOM 817 O SER A 154 11.306 -10.939 -12.648 1.00 0.00 O ATOM 818 CB SER A 154 9.053 -10.936 -14.340 1.00 0.00 C ATOM 819 OG SER A 154 9.745 -9.916 -15.040 1.00 0.00 O ATOM 0 H SER A 154 9.465 -8.674 -12.217 1.00 0.00 H new ATOM 0 HA SER A 154 8.087 -11.140 -12.431 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.576 -11.884 -14.462 1.00 0.00 H new ATOM 0 HB3 SER A 154 8.058 -11.063 -14.767 1.00 0.00 H new ATOM 0 HG SER A 154 10.617 -9.765 -14.620 1.00 0.00 H new ATOM 825 N CYS A 155 10.025 -11.531 -10.896 1.00 0.00 N ATOM 826 CA CYS A 155 11.149 -11.987 -10.087 1.00 0.00 C ATOM 827 C CYS A 155 11.791 -13.229 -10.698 1.00 0.00 C ATOM 828 O CYS A 155 11.188 -14.302 -10.726 1.00 0.00 O ATOM 829 CB CYS A 155 10.689 -12.286 -8.659 1.00 0.00 C ATOM 830 SG CYS A 155 11.895 -13.229 -7.672 1.00 0.00 S ATOM 0 H CYS A 155 9.116 -11.622 -10.443 1.00 0.00 H new ATOM 0 HA CYS A 155 11.893 -11.191 -10.062 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.478 -11.344 -8.152 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.753 -12.844 -8.699 1.00 0.00 H new ATOM 835 N VAL A 156 13.017 -13.076 -11.187 1.00 0.00 N ATOM 836 CA VAL A 156 13.742 -14.185 -11.796 1.00 0.00 C ATOM 837 C VAL A 156 15.206 -14.184 -11.373 1.00 0.00 C ATOM 838 O VAL A 156 15.620 -13.383 -10.534 1.00 0.00 O ATOM 839 CB VAL A 156 13.663 -14.130 -13.334 1.00 0.00 C ATOM 840 CG1 VAL A 156 12.215 -14.170 -13.797 1.00 0.00 C ATOM 841 CG2 VAL A 156 14.364 -12.885 -13.858 1.00 0.00 C ATOM 0 H VAL A 156 13.530 -12.194 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 156 13.267 -15.102 -11.447 1.00 0.00 H new ATOM 0 HB VAL A 156 14.172 -15.005 -13.738 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.180 -14.130 -14.886 1.00 0.00 H new ATOM 0 HG12 VAL A 156 11.748 -15.093 -13.452 1.00 0.00 H new ATOM 0 HG13 VAL A 156 11.678 -13.316 -13.385 1.00 0.00 H new ATOM 0 HG21 VAL A 156 14.299 -12.862 -14.946 1.00 0.00 H new ATOM 0 HG22 VAL A 156 13.884 -11.997 -13.447 1.00 0.00 H new ATOM 0 HG23 VAL A 156 15.412 -12.904 -13.557 1.00 0.00 H new ATOM 987 N LEU A 168 25.061 -9.920 -9.052 1.00 0.00 N ATOM 988 CA LEU A 168 24.215 -10.783 -8.236 1.00 0.00 C ATOM 989 C LEU A 168 22.768 -10.299 -8.250 1.00 0.00 C ATOM 990 O LEU A 168 22.442 -9.271 -7.657 1.00 0.00 O ATOM 991 CB LEU A 168 24.735 -10.829 -6.798 1.00 0.00 C ATOM 992 CG LEU A 168 25.822 -11.865 -6.510 1.00 0.00 C ATOM 993 CD1 LEU A 168 27.192 -11.319 -6.882 1.00 0.00 C ATOM 994 CD2 LEU A 168 25.790 -12.278 -5.046 1.00 0.00 C ATOM 0 HA LEU A 168 24.247 -11.787 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.124 -9.843 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.892 -11.022 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 168 25.627 -12.747 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 168 27.953 -12.070 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 168 27.210 -11.074 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 168 27.396 -10.421 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 168 26.570 -13.016 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 168 25.959 -11.404 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 168 24.818 -12.711 -4.811 1.00 0.00 H new ATOM 1006 N ILE A 169 21.906 -11.048 -8.930 1.00 0.00 N ATOM 1007 CA ILE A 169 20.494 -10.697 -9.018 1.00 0.00 C ATOM 1008 C ILE A 169 19.699 -11.324 -7.877 1.00 0.00 C ATOM 1009 O ILE A 169 19.719 -12.540 -7.688 1.00 0.00 O ATOM 1010 CB ILE A 169 19.886 -11.145 -10.360 1.00 0.00 C ATOM 1011 CG1 ILE A 169 20.593 -10.448 -11.524 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.393 -10.852 -10.388 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.546 -8.938 -11.443 1.00 0.00 C ATOM 0 H ILE A 169 22.161 -11.901 -9.428 1.00 0.00 H new ATOM 0 HA ILE A 169 20.433 -9.611 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 169 20.028 -12.221 -10.466 1.00 0.00 H new ATOM 0 HG12 ILE A 169 21.634 -10.770 -11.551 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.136 -10.768 -12.460 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.977 -11.174 -11.343 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.901 -11.390 -9.578 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.230 -9.781 -10.264 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.067 -8.511 -12.300 1.00 0.00 H new ATOM 0 HD12 ILE A 169 19.508 -8.606 -11.447 1.00 0.00 H new ATOM 0 HD13 ILE A 169 21.030 -8.608 -10.524 1.00 0.00 H new ATOM 1025 N PHE A 170 18.998 -10.486 -7.121 1.00 0.00 N ATOM 1026 CA PHE A 170 18.195 -10.957 -5.999 1.00 0.00 C ATOM 1027 C PHE A 170 16.826 -10.284 -5.990 1.00 0.00 C ATOM 1028 O PHE A 170 16.706 -9.100 -5.671 1.00 0.00 O ATOM 1029 CB PHE A 170 18.918 -10.688 -4.678 1.00 0.00 C ATOM 1030 CG PHE A 170 19.813 -11.813 -4.244 1.00 0.00 C ATOM 1031 CD1 PHE A 170 19.280 -12.970 -3.699 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.188 -11.714 -4.381 1.00 0.00 C ATOM 1033 CE1 PHE A 170 20.101 -14.007 -3.299 1.00 0.00 C ATOM 1034 CE2 PHE A 170 22.014 -12.748 -3.984 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.470 -13.896 -3.441 1.00 0.00 C ATOM 0 H PHE A 170 18.970 -9.477 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 170 18.051 -12.031 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.512 -9.779 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.178 -10.502 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.210 -13.062 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 170 21.619 -10.818 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 170 19.672 -14.903 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 170 23.084 -12.659 -4.098 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.114 -14.705 -3.128 1.00 0.00 H new ATOM 1045 N CYS A 171 15.796 -11.046 -6.341 1.00 0.00 N ATOM 1046 CA CYS A 171 14.435 -10.525 -6.375 1.00 0.00 C ATOM 1047 C CYS A 171 13.617 -11.063 -5.204 1.00 0.00 C ATOM 1048 O CYS A 171 13.976 -12.071 -4.593 1.00 0.00 O ATOM 1049 CB CYS A 171 13.757 -10.894 -7.696 1.00 0.00 C ATOM 1050 SG CYS A 171 13.748 -12.680 -8.054 1.00 0.00 S ATOM 0 H CYS A 171 15.878 -12.027 -6.606 1.00 0.00 H new ATOM 0 HA CYS A 171 14.487 -9.439 -6.292 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.729 -10.533 -7.678 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.263 -10.374 -8.509 1.00 0.00 H new ATOM 1055 N CYS A 172 12.517 -10.385 -4.897 1.00 0.00 N ATOM 1056 CA CYS A 172 11.647 -10.794 -3.800 1.00 0.00 C ATOM 1057 C CYS A 172 10.234 -10.254 -3.996 1.00 0.00 C ATOM 1058 O CYS A 172 10.000 -9.384 -4.836 1.00 0.00 O ATOM 1059 CB CYS A 172 12.211 -10.304 -2.465 1.00 0.00 C ATOM 1060 SG CYS A 172 12.740 -8.560 -2.476 1.00 0.00 S ATOM 0 H CYS A 172 12.206 -9.549 -5.392 1.00 0.00 H new ATOM 0 HA CYS A 172 11.603 -11.883 -3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.454 -10.438 -1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.061 -10.929 -2.191 1.00 0.00 H new ATOM 1065 N PHE A 173 9.293 -10.775 -3.215 1.00 0.00 N ATOM 1066 CA PHE A 173 7.902 -10.347 -3.303 1.00 0.00 C ATOM 1067 C PHE A 173 7.420 -9.789 -1.967 1.00 0.00 C ATOM 1068 O PHE A 173 6.233 -9.857 -1.646 1.00 0.00 O ATOM 1069 CB PHE A 173 7.013 -11.515 -3.732 1.00 0.00 C ATOM 1070 CG PHE A 173 6.962 -11.716 -5.219 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.149 -10.922 -6.012 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.729 -12.698 -5.825 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.101 -11.105 -7.381 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.684 -12.886 -7.194 1.00 0.00 C ATOM 1075 CZ PHE A 173 6.870 -12.087 -7.973 1.00 0.00 C ATOM 0 H PHE A 173 9.469 -11.495 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 173 7.837 -9.557 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.376 -12.429 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.002 -11.346 -3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 173 5.546 -10.151 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 173 8.369 -13.324 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 173 5.462 -10.480 -7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.285 -13.657 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 173 6.835 -12.230 -9.043 1.00 0.00 H new ATOM 1085 N ARG A 174 8.348 -9.238 -1.192 1.00 0.00 N ATOM 1086 CA ARG A 174 8.019 -8.670 0.109 1.00 0.00 C ATOM 1087 C ARG A 174 8.636 -7.283 0.269 1.00 0.00 C ATOM 1088 O ARG A 174 9.789 -7.059 -0.102 1.00 0.00 O ATOM 1089 CB ARG A 174 8.508 -9.590 1.229 1.00 0.00 C ATOM 1090 CG ARG A 174 7.728 -10.890 1.334 1.00 0.00 C ATOM 1091 CD ARG A 174 8.656 -12.088 1.463 1.00 0.00 C ATOM 1092 NE ARG A 174 8.692 -12.887 0.241 1.00 0.00 N ATOM 1093 CZ ARG A 174 7.709 -13.697 -0.136 1.00 0.00 C ATOM 1094 NH1 ARG A 174 6.619 -13.814 0.610 1.00 0.00 N ATOM 1095 NH2 ARG A 174 7.816 -14.392 -1.261 1.00 0.00 N ATOM 0 H ARG A 174 9.334 -9.173 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 174 6.935 -8.576 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.561 -9.820 1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.442 -9.059 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.064 -10.848 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.098 -11.010 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.662 -11.743 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.329 -12.712 2.295 1.00 0.00 H new ATOM 0 HE ARG A 174 9.517 -12.819 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 174 6.534 -13.281 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 174 5.866 -14.437 0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 174 8.653 -14.305 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 174 7.061 -15.014 -1.550 1.00 0.00 H new ATOM 1109 N ASP A 175 7.862 -6.357 0.823 1.00 0.00 N ATOM 1110 CA ASP A 175 8.332 -4.993 1.033 1.00 0.00 C ATOM 1111 C ASP A 175 9.550 -4.973 1.950 1.00 0.00 C ATOM 1112 O ASP A 175 9.495 -5.451 3.084 1.00 0.00 O ATOM 1113 CB ASP A 175 7.216 -4.132 1.627 1.00 0.00 C ATOM 1114 CG ASP A 175 5.870 -4.403 0.984 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.295 -5.480 1.245 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.392 -3.539 0.220 1.00 0.00 O ATOM 0 H ASP A 175 6.906 -6.526 1.135 1.00 0.00 H new ATOM 0 HA ASP A 175 8.621 -4.582 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.148 -4.320 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.469 -3.079 1.503 1.00 0.00 H new ATOM 1121 N LEU A 176 10.650 -4.418 1.453 1.00 0.00 N ATOM 1122 CA LEU A 176 11.883 -4.336 2.227 1.00 0.00 C ATOM 1123 C LEU A 176 12.421 -5.728 2.543 1.00 0.00 C ATOM 1124 O LEU A 176 13.010 -5.953 3.601 1.00 0.00 O ATOM 1125 CB LEU A 176 11.644 -3.563 3.526 1.00 0.00 C ATOM 1126 CG LEU A 176 10.675 -2.384 3.435 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.636 -1.623 4.752 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.068 -1.457 2.294 1.00 0.00 C ATOM 0 H LEU A 176 10.713 -4.018 0.517 1.00 0.00 H new ATOM 0 HA LEU A 176 12.624 -3.807 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.269 -4.259 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.603 -3.192 3.887 1.00 0.00 H new ATOM 0 HG LEU A 176 9.677 -2.773 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 176 9.941 -0.787 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.307 -2.291 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 176 11.632 -1.245 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.367 -0.624 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.074 -1.075 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.044 -2.007 1.353 1.00 0.00 H new ATOM 1140 N CYS A 177 12.217 -6.660 1.618 1.00 0.00 N ATOM 1141 CA CYS A 177 12.682 -8.030 1.795 1.00 0.00 C ATOM 1142 C CYS A 177 14.152 -8.057 2.203 1.00 0.00 C ATOM 1143 O CYS A 177 14.613 -9.003 2.838 1.00 0.00 O ATOM 1144 CB CYS A 177 12.484 -8.829 0.505 1.00 0.00 C ATOM 1145 SG CYS A 177 13.800 -8.583 -0.731 1.00 0.00 S ATOM 0 H CYS A 177 11.732 -6.491 0.737 1.00 0.00 H new ATOM 0 HA CYS A 177 12.094 -8.487 2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.426 -9.889 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.527 -8.552 0.062 1.00 0.00 H new ATOM 1150 N ASN A 178 14.882 -7.010 1.832 1.00 0.00 N ATOM 1151 CA ASN A 178 16.301 -6.913 2.158 1.00 0.00 C ATOM 1152 C ASN A 178 16.691 -5.470 2.463 1.00 0.00 C ATOM 1153 O ASN A 178 16.531 -4.582 1.625 1.00 0.00 O ATOM 1154 CB ASN A 178 17.149 -7.450 1.004 1.00 0.00 C ATOM 1155 CG ASN A 178 16.974 -6.641 -0.267 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.951 -5.986 -0.463 1.00 0.00 O ATOM 1157 ND2 ASN A 178 17.976 -6.683 -1.137 1.00 0.00 N ATOM 0 H ASN A 178 14.515 -6.217 1.306 1.00 0.00 H new ATOM 0 HA ASN A 178 16.486 -7.516 3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.200 -7.443 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.879 -8.488 0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 178 17.916 -6.158 -2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 178 18.806 -7.240 -0.933 1.00 0.00 H new