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 131 THR OG1 : rot 85:sc= 0.152 USER MOD Set 1.2: A 148 THR OG1 : rot -44:sc= 0.184 USER MOD Set 2.1: A 105 THR OG1 : rot -6:sc= 0.624! USER MOD Set 2.2: A 119 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0309 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0666 USER MOD Single : A 117 THR OG1 : rot 29:sc= 0.155 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 129 MET CE :methyl 158:sc= -0.499 (180deg=-2.39!) USER MOD Single : A 130 THR OG1 : rot 79:sc= -0.263 USER MOD Single : A 150 SER OG : rot 11:sc= 0.208 USER MOD Single : A 152 SER OG : rot 180:sc= -0.284 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 178 ASN : amide:sc= -2.17 K(o=-2.2,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.285 -1.130 -1.248 1.00 0.00 N ATOM 2 CA MET A 100 2.055 -1.252 -2.480 1.00 0.00 C ATOM 3 C MET A 100 3.453 -1.792 -2.196 1.00 0.00 C ATOM 4 O MET A 100 3.962 -1.669 -1.081 1.00 0.00 O ATOM 5 CB MET A 100 2.152 0.104 -3.182 1.00 0.00 C ATOM 6 CG MET A 100 2.807 1.182 -2.335 1.00 0.00 C ATOM 7 SD MET A 100 1.807 2.677 -2.217 1.00 0.00 S ATOM 8 CE MET A 100 2.304 3.292 -0.610 1.00 0.00 C ATOM 0 HA MET A 100 1.539 -1.955 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 100 2.718 -0.014 -4.106 1.00 0.00 H new ATOM 0 HB3 MET A 100 1.151 0.432 -3.461 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.989 0.791 -1.334 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.779 1.432 -2.761 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.769 4.217 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.069 2.549 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.377 3.485 -0.610 1.00 0.00 H new ATOM 18 N LEU A 101 4.069 -2.389 -3.210 1.00 0.00 N ATOM 19 CA LEU A 101 5.409 -2.949 -3.069 1.00 0.00 C ATOM 20 C LEU A 101 6.448 -1.842 -2.917 1.00 0.00 C ATOM 21 O LEU A 101 6.555 -0.956 -3.765 1.00 0.00 O ATOM 22 CB LEU A 101 5.749 -3.821 -4.279 1.00 0.00 C ATOM 23 CG LEU A 101 6.658 -5.020 -4.008 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.412 -5.414 -5.268 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.630 -4.708 -2.879 1.00 0.00 C ATOM 0 H LEU A 101 3.662 -2.498 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 101 5.426 -3.565 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.818 -4.187 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.225 -3.193 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 101 6.036 -5.861 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.054 -6.269 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.700 -5.680 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.023 -4.576 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.269 -5.573 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.246 -3.852 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.072 -4.475 -1.972 1.00 0.00 H new ATOM 37 N LYS A 102 7.212 -1.900 -1.832 1.00 0.00 N ATOM 38 CA LYS A 102 8.246 -0.906 -1.570 1.00 0.00 C ATOM 39 C LYS A 102 9.621 -1.560 -1.482 1.00 0.00 C ATOM 40 O LYS A 102 9.800 -2.562 -0.789 1.00 0.00 O ATOM 41 CB LYS A 102 7.942 -0.156 -0.271 1.00 0.00 C ATOM 42 CG LYS A 102 6.578 0.512 -0.258 1.00 0.00 C ATOM 43 CD LYS A 102 6.387 1.366 0.984 1.00 0.00 C ATOM 44 CE LYS A 102 4.987 1.209 1.558 1.00 0.00 C ATOM 45 NZ LYS A 102 4.492 2.474 2.167 1.00 0.00 N ATOM 0 H LYS A 102 7.135 -2.625 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 102 8.253 -0.198 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.003 -0.854 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.709 0.601 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.467 1.132 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.799 -0.249 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.124 1.085 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.565 2.413 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.304 0.894 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.989 0.420 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.535 2.325 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.129 2.761 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.465 3.220 1.443 1.00 0.00 H new ATOM 59 N CYS A 103 10.590 -0.987 -2.188 1.00 0.00 N ATOM 60 CA CYS A 103 11.949 -1.513 -2.189 1.00 0.00 C ATOM 61 C CYS A 103 12.961 -0.407 -1.903 1.00 0.00 C ATOM 62 O CYS A 103 12.730 0.758 -2.225 1.00 0.00 O ATOM 63 CB CYS A 103 12.263 -2.171 -3.534 1.00 0.00 C ATOM 64 SG CYS A 103 10.863 -3.085 -4.258 1.00 0.00 S ATOM 0 H CYS A 103 10.459 -0.158 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 103 12.022 -2.261 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.584 -1.402 -4.237 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.102 -2.855 -3.405 1.00 0.00 H new ATOM 69 N TYR A 104 14.083 -0.781 -1.298 1.00 0.00 N ATOM 70 CA TYR A 104 15.129 0.178 -0.967 1.00 0.00 C ATOM 71 C TYR A 104 15.916 0.578 -2.212 1.00 0.00 C ATOM 72 O TYR A 104 17.081 0.213 -2.369 1.00 0.00 O ATOM 73 CB TYR A 104 16.076 -0.409 0.081 1.00 0.00 C ATOM 74 CG TYR A 104 15.582 -0.247 1.501 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.380 1.014 2.048 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.319 -1.356 2.296 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.930 1.167 3.345 1.00 0.00 C ATOM 78 CE2 TYR A 104 14.867 -1.212 3.594 1.00 0.00 C ATOM 79 CZ TYR A 104 14.674 0.051 4.114 1.00 0.00 C ATOM 80 OH TYR A 104 14.225 0.197 5.406 1.00 0.00 O ATOM 0 H TYR A 104 14.291 -1.742 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 104 14.653 1.069 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.221 -1.469 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.050 0.070 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.578 1.890 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.470 -2.346 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.779 2.155 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.666 -2.084 4.198 1.00 0.00 H new ATOM 0 HH TYR A 104 14.093 -0.687 5.808 1.00 0.00 H new ATOM 90 N THR A 105 15.269 1.332 -3.096 1.00 0.00 N ATOM 91 CA THR A 105 15.906 1.782 -4.327 1.00 0.00 C ATOM 92 C THR A 105 16.430 3.206 -4.187 1.00 0.00 C ATOM 93 O THR A 105 15.683 4.123 -3.844 1.00 0.00 O ATOM 94 CB THR A 105 14.931 1.721 -5.518 1.00 0.00 C ATOM 95 OG1 THR A 105 14.122 2.902 -5.550 1.00 0.00 O ATOM 96 CG2 THR A 105 14.039 0.492 -5.425 1.00 0.00 C ATOM 0 H THR A 105 14.304 1.643 -2.982 1.00 0.00 H new ATOM 0 HA THR A 105 16.741 1.108 -4.515 1.00 0.00 H new ATOM 0 HB THR A 105 15.516 1.657 -6.435 1.00 0.00 H new ATOM 0 HG1 THR A 105 14.298 3.441 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.359 0.471 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.656 -0.407 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.462 0.530 -4.501 1.00 0.00 H new ATOM 104 N CYS A 106 17.719 3.386 -4.454 1.00 0.00 N ATOM 105 CA CYS A 106 18.345 4.700 -4.357 1.00 0.00 C ATOM 106 C CYS A 106 18.114 5.507 -5.632 1.00 0.00 C ATOM 107 O CYS A 106 17.666 4.972 -6.646 1.00 0.00 O ATOM 108 CB CYS A 106 19.845 4.556 -4.096 1.00 0.00 C ATOM 109 SG CYS A 106 20.713 3.507 -5.307 1.00 0.00 S ATOM 0 H CYS A 106 18.351 2.638 -4.739 1.00 0.00 H new ATOM 0 HA CYS A 106 17.888 5.232 -3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.300 5.547 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.991 4.139 -3.099 1.00 0.00 H new ATOM 0 HG CYS A 106 21.976 3.448 -5.004 1.00 0.00 H new ATOM 262 N THR A 117 17.215 3.521 0.019 1.00 0.00 N ATOM 263 CA THR A 117 16.158 4.524 0.065 1.00 0.00 C ATOM 264 C THR A 117 14.794 3.897 -0.197 1.00 0.00 C ATOM 265 O THR A 117 14.598 3.211 -1.201 1.00 0.00 O ATOM 266 CB THR A 117 16.401 5.645 -0.963 1.00 0.00 C ATOM 267 OG1 THR A 117 17.724 6.171 -0.810 1.00 0.00 O ATOM 268 CG2 THR A 117 15.383 6.763 -0.796 1.00 0.00 C ATOM 0 HA THR A 117 16.172 4.952 1.067 1.00 0.00 H new ATOM 0 HB THR A 117 16.291 5.222 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.314 5.474 -0.455 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.575 7.543 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.379 6.365 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.465 7.183 0.207 1.00 0.00 H new ATOM 276 N ILE A 118 13.853 4.137 0.710 1.00 0.00 N ATOM 277 CA ILE A 118 12.506 3.597 0.575 1.00 0.00 C ATOM 278 C ILE A 118 11.776 4.230 -0.604 1.00 0.00 C ATOM 279 O ILE A 118 11.538 5.438 -0.626 1.00 0.00 O ATOM 280 CB ILE A 118 11.680 3.818 1.856 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.382 3.185 3.058 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.281 3.244 1.689 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.615 3.334 4.353 1.00 0.00 C ATOM 0 H ILE A 118 13.999 4.702 1.547 1.00 0.00 H new ATOM 0 HA ILE A 118 12.611 2.526 0.401 1.00 0.00 H new ATOM 0 HB ILE A 118 11.593 4.890 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 118 12.541 2.125 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.366 3.639 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.709 3.408 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.782 3.738 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.348 2.174 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.172 2.862 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.479 4.392 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.641 2.855 4.256 1.00 0.00 H new ATOM 295 N THR A 119 11.420 3.406 -1.585 1.00 0.00 N ATOM 296 CA THR A 119 10.715 3.884 -2.767 1.00 0.00 C ATOM 297 C THR A 119 9.518 2.998 -3.091 1.00 0.00 C ATOM 298 O THR A 119 9.542 1.792 -2.843 1.00 0.00 O ATOM 299 CB THR A 119 11.647 3.937 -3.993 1.00 0.00 C ATOM 300 OG1 THR A 119 12.656 4.935 -3.799 1.00 0.00 O ATOM 301 CG2 THR A 119 10.860 4.244 -5.258 1.00 0.00 C ATOM 0 H THR A 119 11.609 2.404 -1.584 1.00 0.00 H new ATOM 0 HA THR A 119 10.366 4.891 -2.540 1.00 0.00 H new ATOM 0 HB THR A 119 12.119 2.961 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.144 5.074 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.539 4.276 -6.110 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.112 3.467 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.364 5.209 -5.153 1.00 0.00 H new ATOM 309 N ARG A 120 8.473 3.602 -3.646 1.00 0.00 N ATOM 310 CA ARG A 120 7.266 2.866 -4.003 1.00 0.00 C ATOM 311 C ARG A 120 7.368 2.310 -5.420 1.00 0.00 C ATOM 312 O ARG A 120 7.561 3.057 -6.380 1.00 0.00 O ATOM 313 CB ARG A 120 6.038 3.771 -3.886 1.00 0.00 C ATOM 314 CG ARG A 120 6.135 4.786 -2.759 1.00 0.00 C ATOM 315 CD ARG A 120 4.792 5.444 -2.485 1.00 0.00 C ATOM 316 NE ARG A 120 4.715 5.990 -1.133 1.00 0.00 N ATOM 317 CZ ARG A 120 3.681 6.691 -0.681 1.00 0.00 C ATOM 318 NH1 ARG A 120 2.641 6.929 -1.469 1.00 0.00 N ATOM 319 NH2 ARG A 120 3.684 7.154 0.562 1.00 0.00 N ATOM 0 H ARG A 120 8.437 4.599 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 120 7.161 2.031 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.896 4.300 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.154 3.152 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.492 4.294 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.869 5.549 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.625 6.242 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.995 4.714 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 120 5.498 5.824 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.634 6.573 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.849 7.468 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.481 6.972 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.889 7.692 0.908 1.00 0.00 H new ATOM 333 N CYS A 121 7.238 0.993 -5.544 1.00 0.00 N ATOM 334 CA CYS A 121 7.316 0.335 -6.843 1.00 0.00 C ATOM 335 C CYS A 121 6.057 0.599 -7.663 1.00 0.00 C ATOM 336 O CYS A 121 5.126 1.258 -7.199 1.00 0.00 O ATOM 337 CB CYS A 121 7.514 -1.171 -6.663 1.00 0.00 C ATOM 338 SG CYS A 121 9.103 -1.626 -5.897 1.00 0.00 S ATOM 0 H CYS A 121 7.078 0.360 -4.760 1.00 0.00 H new ATOM 0 HA CYS A 121 8.171 0.746 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.702 -1.563 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.440 -1.655 -7.637 1.00 0.00 H new ATOM 343 N LYS A 122 6.035 0.081 -8.886 1.00 0.00 N ATOM 344 CA LYS A 122 4.891 0.258 -9.772 1.00 0.00 C ATOM 345 C LYS A 122 3.830 -0.806 -9.510 1.00 0.00 C ATOM 346 O LYS A 122 4.096 -1.848 -8.911 1.00 0.00 O ATOM 347 CB LYS A 122 5.338 0.198 -11.235 1.00 0.00 C ATOM 348 CG LYS A 122 6.764 0.673 -11.454 1.00 0.00 C ATOM 349 CD LYS A 122 6.968 1.186 -12.870 1.00 0.00 C ATOM 350 CE LYS A 122 8.405 1.630 -13.099 1.00 0.00 C ATOM 351 NZ LYS A 122 8.505 3.102 -13.304 1.00 0.00 N ATOM 0 H LYS A 122 6.797 -0.465 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 122 4.456 1.237 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.246 -0.828 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.664 0.807 -11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.999 1.464 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.456 -0.147 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.710 0.403 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.293 2.022 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.015 1.340 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.810 1.114 -13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.500 3.364 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.943 3.376 -14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.142 3.595 -12.463 1.00 0.00 H new ATOM 365 N PRO A 123 2.598 -0.541 -9.970 1.00 0.00 N ATOM 366 CA PRO A 123 1.473 -1.465 -9.798 1.00 0.00 C ATOM 367 C PRO A 123 1.623 -2.724 -10.644 1.00 0.00 C ATOM 368 O PRO A 123 1.126 -3.790 -10.280 1.00 0.00 O ATOM 369 CB PRO A 123 0.267 -0.646 -10.267 1.00 0.00 C ATOM 370 CG PRO A 123 0.834 0.358 -11.210 1.00 0.00 C ATOM 371 CD PRO A 123 2.209 0.682 -10.693 1.00 0.00 C ATOM 0 HA PRO A 123 1.391 -1.821 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.473 -1.277 -10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.234 -0.163 -9.428 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.882 -0.042 -12.223 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.211 1.252 -11.249 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.901 0.906 -11.505 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.197 1.551 -10.035 1.00 0.00 H new ATOM 379 N GLU A 124 2.311 -2.595 -11.774 1.00 0.00 N ATOM 380 CA GLU A 124 2.526 -3.724 -12.671 1.00 0.00 C ATOM 381 C GLU A 124 3.551 -4.694 -12.089 1.00 0.00 C ATOM 382 O GLU A 124 3.529 -5.888 -12.386 1.00 0.00 O ATOM 383 CB GLU A 124 2.993 -3.233 -14.042 1.00 0.00 C ATOM 384 CG GLU A 124 2.315 -1.950 -14.493 1.00 0.00 C ATOM 385 CD GLU A 124 2.621 -1.606 -15.938 1.00 0.00 C ATOM 386 OE1 GLU A 124 1.984 -2.195 -16.836 1.00 0.00 O ATOM 387 OE2 GLU A 124 3.497 -0.746 -16.170 1.00 0.00 O ATOM 0 H GLU A 124 2.729 -1.720 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 124 1.578 -4.250 -12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.071 -3.074 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.805 -4.012 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.237 -2.050 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.636 -1.129 -13.852 1.00 0.00 H new ATOM 394 N ASP A 125 4.447 -4.171 -11.259 1.00 0.00 N ATOM 395 CA ASP A 125 5.480 -4.989 -10.635 1.00 0.00 C ATOM 396 C ASP A 125 4.900 -5.821 -9.496 1.00 0.00 C ATOM 397 O ASP A 125 3.733 -5.668 -9.132 1.00 0.00 O ATOM 398 CB ASP A 125 6.613 -4.105 -10.112 1.00 0.00 C ATOM 399 CG ASP A 125 7.705 -3.894 -11.143 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.577 -4.433 -12.262 1.00 0.00 O ATOM 401 OD2 ASP A 125 8.689 -3.191 -10.830 1.00 0.00 O ATOM 0 H ASP A 125 4.479 -3.184 -11.003 1.00 0.00 H new ATOM 0 HA ASP A 125 5.878 -5.667 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.208 -3.138 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.043 -4.560 -9.220 1.00 0.00 H new ATOM 406 N THR A 126 5.721 -6.703 -8.935 1.00 0.00 N ATOM 407 CA THR A 126 5.290 -7.561 -7.839 1.00 0.00 C ATOM 408 C THR A 126 6.452 -7.892 -6.910 1.00 0.00 C ATOM 409 O THR A 126 6.273 -8.022 -5.699 1.00 0.00 O ATOM 410 CB THR A 126 4.674 -8.873 -8.361 1.00 0.00 C ATOM 411 OG1 THR A 126 5.581 -9.514 -9.265 1.00 0.00 O ATOM 412 CG2 THR A 126 3.352 -8.608 -9.065 1.00 0.00 C ATOM 0 H THR A 126 6.690 -6.842 -9.222 1.00 0.00 H new ATOM 0 HA THR A 126 4.532 -7.008 -7.284 1.00 0.00 H new ATOM 0 HB THR A 126 4.489 -9.526 -7.508 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.183 -10.348 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.936 -9.549 -9.425 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.654 -8.146 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.517 -7.938 -9.909 1.00 0.00 H new ATOM 420 N ALA A 127 7.643 -8.028 -7.485 1.00 0.00 N ATOM 421 CA ALA A 127 8.835 -8.342 -6.707 1.00 0.00 C ATOM 422 C ALA A 127 9.888 -7.248 -6.851 1.00 0.00 C ATOM 423 O ALA A 127 9.739 -6.331 -7.659 1.00 0.00 O ATOM 424 CB ALA A 127 9.405 -9.686 -7.134 1.00 0.00 C ATOM 0 H ALA A 127 7.808 -7.926 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 127 8.549 -8.399 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 127 10.295 -9.908 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.660 -10.465 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.669 -9.650 -8.191 1.00 0.00 H new ATOM 430 N CYS A 128 10.952 -7.351 -6.062 1.00 0.00 N ATOM 431 CA CYS A 128 12.030 -6.370 -6.100 1.00 0.00 C ATOM 432 C CYS A 128 13.306 -6.986 -6.669 1.00 0.00 C ATOM 433 O CYS A 128 13.466 -8.206 -6.679 1.00 0.00 O ATOM 434 CB CYS A 128 12.298 -5.820 -4.698 1.00 0.00 C ATOM 435 SG CYS A 128 10.865 -4.988 -3.940 1.00 0.00 S ATOM 0 H CYS A 128 11.091 -8.104 -5.388 1.00 0.00 H new ATOM 0 HA CYS A 128 11.720 -5.552 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.613 -6.639 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 128 13.129 -5.116 -4.748 1.00 0.00 H new ATOM 440 N MET A 129 14.209 -6.133 -7.140 1.00 0.00 N ATOM 441 CA MET A 129 15.471 -6.593 -7.708 1.00 0.00 C ATOM 442 C MET A 129 16.645 -5.805 -7.135 1.00 0.00 C ATOM 443 O MET A 129 16.545 -4.599 -6.907 1.00 0.00 O ATOM 444 CB MET A 129 15.447 -6.458 -9.232 1.00 0.00 C ATOM 445 CG MET A 129 16.074 -7.639 -9.956 1.00 0.00 C ATOM 446 SD MET A 129 16.296 -7.334 -11.719 1.00 0.00 S ATOM 447 CE MET A 129 17.083 -8.860 -12.230 1.00 0.00 C ATOM 0 H MET A 129 14.091 -5.120 -7.140 1.00 0.00 H new ATOM 0 HA MET A 129 15.598 -7.643 -7.444 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.414 -6.346 -9.563 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.973 -5.547 -9.516 1.00 0.00 H new ATOM 0 HG2 MET A 129 17.041 -7.865 -9.506 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.446 -8.519 -9.820 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.936 -9.004 -13.300 1.00 0.00 H new ATOM 0 HE2 MET A 129 18.150 -8.809 -12.013 1.00 0.00 H new ATOM 0 HE3 MET A 129 16.642 -9.696 -11.687 1.00 0.00 H new ATOM 457 N THR A 130 17.757 -6.495 -6.902 1.00 0.00 N ATOM 458 CA THR A 130 18.949 -5.861 -6.354 1.00 0.00 C ATOM 459 C THR A 130 20.210 -6.371 -7.043 1.00 0.00 C ATOM 460 O THR A 130 20.409 -7.578 -7.183 1.00 0.00 O ATOM 461 CB THR A 130 19.070 -6.108 -4.838 1.00 0.00 C ATOM 462 OG1 THR A 130 17.791 -5.957 -4.214 1.00 0.00 O ATOM 463 CG2 THR A 130 20.064 -5.142 -4.211 1.00 0.00 C ATOM 0 H THR A 130 17.857 -7.494 -7.085 1.00 0.00 H new ATOM 0 HA THR A 130 18.848 -4.791 -6.534 1.00 0.00 H new ATOM 0 HB THR A 130 19.430 -7.125 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.257 -6.765 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 130 20.133 -5.335 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 130 21.044 -5.280 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.728 -4.118 -4.374 1.00 0.00 H new ATOM 471 N THR A 131 21.061 -5.444 -7.472 1.00 0.00 N ATOM 472 CA THR A 131 22.302 -5.800 -8.147 1.00 0.00 C ATOM 473 C THR A 131 23.510 -5.527 -7.257 1.00 0.00 C ATOM 474 O THR A 131 23.886 -4.375 -7.040 1.00 0.00 O ATOM 475 CB THR A 131 22.466 -5.024 -9.467 1.00 0.00 C ATOM 476 OG1 THR A 131 21.272 -5.131 -10.250 1.00 0.00 O ATOM 477 CG2 THR A 131 23.650 -5.553 -10.263 1.00 0.00 C ATOM 0 H THR A 131 20.913 -4.441 -7.364 1.00 0.00 H new ATOM 0 HA THR A 131 22.248 -6.867 -8.365 1.00 0.00 H new ATOM 0 HB THR A 131 22.649 -3.977 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.634 -4.441 -9.970 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.746 -4.989 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 131 24.562 -5.443 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.492 -6.607 -10.493 1.00 0.00 H new ATOM 733 N THR A 148 22.897 -1.392 -7.888 1.00 0.00 N ATOM 734 CA THR A 148 21.685 -0.809 -8.450 1.00 0.00 C ATOM 735 C THR A 148 20.461 -1.650 -8.108 1.00 0.00 C ATOM 736 O THR A 148 20.305 -2.767 -8.603 1.00 0.00 O ATOM 737 CB THR A 148 21.787 -0.669 -9.980 1.00 0.00 C ATOM 738 OG1 THR A 148 22.407 -1.833 -10.539 1.00 0.00 O ATOM 739 CG2 THR A 148 22.588 0.569 -10.358 1.00 0.00 C ATOM 0 HA THR A 148 21.576 0.182 -8.009 1.00 0.00 H new ATOM 0 HB THR A 148 20.779 -0.567 -10.381 1.00 0.00 H new ATOM 0 HG1 THR A 148 23.185 -2.081 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.647 0.647 -11.444 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.098 1.456 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.594 0.492 -9.945 1.00 0.00 H new ATOM 747 N ARG A 149 19.593 -1.106 -7.261 1.00 0.00 N ATOM 748 CA ARG A 149 18.382 -1.808 -6.853 1.00 0.00 C ATOM 749 C ARG A 149 17.152 -1.204 -7.525 1.00 0.00 C ATOM 750 O ARG A 149 16.955 0.011 -7.505 1.00 0.00 O ATOM 751 CB ARG A 149 18.223 -1.754 -5.333 1.00 0.00 C ATOM 752 CG ARG A 149 17.414 -2.908 -4.764 1.00 0.00 C ATOM 753 CD ARG A 149 17.449 -2.917 -3.243 1.00 0.00 C ATOM 754 NE ARG A 149 16.171 -3.329 -2.669 1.00 0.00 N ATOM 755 CZ ARG A 149 16.025 -3.724 -1.409 1.00 0.00 C ATOM 756 NH1 ARG A 149 17.072 -3.760 -0.596 1.00 0.00 N ATOM 757 NH2 ARG A 149 14.830 -4.084 -0.960 1.00 0.00 N ATOM 0 H ARG A 149 19.706 -0.182 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 149 18.472 -2.848 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 149 19.211 -1.752 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.742 -0.815 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.381 -2.833 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.807 -3.851 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.234 -3.592 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.705 -1.922 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 149 15.346 -3.313 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 149 17.993 -3.484 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 149 16.957 -4.064 0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 149 14.022 -4.058 -1.582 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.719 -4.387 0.008 1.00 0.00 H new ATOM 771 N SER A 150 16.328 -2.061 -8.120 1.00 0.00 N ATOM 772 CA SER A 150 15.120 -1.613 -8.801 1.00 0.00 C ATOM 773 C SER A 150 14.016 -2.661 -8.697 1.00 0.00 C ATOM 774 O SER A 150 14.287 -3.849 -8.517 1.00 0.00 O ATOM 775 CB SER A 150 15.419 -1.316 -10.272 1.00 0.00 C ATOM 776 OG SER A 150 16.109 -0.086 -10.414 1.00 0.00 O ATOM 0 H SER A 150 16.476 -3.070 -8.144 1.00 0.00 H new ATOM 0 HA SER A 150 14.777 -0.700 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 150 16.017 -2.123 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 150 14.487 -1.281 -10.836 1.00 0.00 H new ATOM 0 HG SER A 150 16.399 0.230 -9.533 1.00 0.00 H new ATOM 782 N CYS A 151 12.771 -2.213 -8.812 1.00 0.00 N ATOM 783 CA CYS A 151 11.624 -3.109 -8.730 1.00 0.00 C ATOM 784 C CYS A 151 11.572 -4.037 -9.941 1.00 0.00 C ATOM 785 O CYS A 151 12.218 -3.785 -10.958 1.00 0.00 O ATOM 786 CB CYS A 151 10.326 -2.305 -8.634 1.00 0.00 C ATOM 787 SG CYS A 151 10.383 -0.944 -7.424 1.00 0.00 S ATOM 0 H CYS A 151 12.530 -1.233 -8.962 1.00 0.00 H new ATOM 0 HA CYS A 151 11.733 -3.717 -7.832 1.00 0.00 H new ATOM 0 HB2 CYS A 151 10.092 -1.894 -9.616 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.512 -2.979 -8.368 1.00 0.00 H new ATOM 792 N SER A 152 10.797 -5.111 -9.823 1.00 0.00 N ATOM 793 CA SER A 152 10.663 -6.078 -10.906 1.00 0.00 C ATOM 794 C SER A 152 9.286 -6.735 -10.880 1.00 0.00 C ATOM 795 O SER A 152 8.524 -6.567 -9.928 1.00 0.00 O ATOM 796 CB SER A 152 11.752 -7.147 -10.801 1.00 0.00 C ATOM 797 OG SER A 152 11.650 -8.085 -11.859 1.00 0.00 O ATOM 0 H SER A 152 10.253 -5.333 -8.989 1.00 0.00 H new ATOM 0 HA SER A 152 10.775 -5.546 -11.851 1.00 0.00 H new ATOM 0 HB2 SER A 152 12.734 -6.674 -10.824 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.669 -7.663 -9.844 1.00 0.00 H new ATOM 0 HG SER A 152 12.358 -8.757 -11.770 1.00 0.00 H new ATOM 803 N SER A 153 8.974 -7.484 -11.933 1.00 0.00 N ATOM 804 CA SER A 153 7.688 -8.164 -12.034 1.00 0.00 C ATOM 805 C SER A 153 7.878 -9.674 -12.137 1.00 0.00 C ATOM 806 O SER A 153 6.938 -10.410 -12.434 1.00 0.00 O ATOM 807 CB SER A 153 6.911 -7.651 -13.248 1.00 0.00 C ATOM 808 OG SER A 153 7.774 -7.428 -14.349 1.00 0.00 O ATOM 0 H SER A 153 9.594 -7.635 -12.728 1.00 0.00 H new ATOM 0 HA SER A 153 7.119 -7.949 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.143 -8.374 -13.524 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.398 -6.724 -12.990 1.00 0.00 H new ATOM 0 HG SER A 153 7.253 -7.102 -15.112 1.00 0.00 H new ATOM 814 N SER A 154 9.103 -10.128 -11.891 1.00 0.00 N ATOM 815 CA SER A 154 9.419 -11.550 -11.960 1.00 0.00 C ATOM 816 C SER A 154 10.809 -11.825 -11.394 1.00 0.00 C ATOM 817 O SER A 154 11.809 -11.749 -12.107 1.00 0.00 O ATOM 818 CB SER A 154 9.339 -12.042 -13.406 1.00 0.00 C ATOM 819 OG SER A 154 9.840 -11.068 -14.305 1.00 0.00 O ATOM 0 H SER A 154 9.892 -9.532 -11.642 1.00 0.00 H new ATOM 0 HA SER A 154 8.687 -12.090 -11.359 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.908 -12.965 -13.511 1.00 0.00 H new ATOM 0 HB3 SER A 154 8.304 -12.275 -13.657 1.00 0.00 H new ATOM 0 HG SER A 154 9.779 -11.408 -15.222 1.00 0.00 H new ATOM 825 N CYS A 155 10.863 -12.146 -10.105 1.00 0.00 N ATOM 826 CA CYS A 155 12.128 -12.433 -9.441 1.00 0.00 C ATOM 827 C CYS A 155 12.724 -13.743 -9.947 1.00 0.00 C ATOM 828 O CYS A 155 12.196 -14.823 -9.680 1.00 0.00 O ATOM 829 CB CYS A 155 11.928 -12.504 -7.925 1.00 0.00 C ATOM 830 SG CYS A 155 13.253 -13.386 -7.040 1.00 0.00 S ATOM 0 H CYS A 155 10.045 -12.214 -9.500 1.00 0.00 H new ATOM 0 HA CYS A 155 12.822 -11.625 -9.673 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.855 -11.490 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.978 -12.996 -7.717 1.00 0.00 H new ATOM 835 N VAL A 156 13.828 -13.640 -10.681 1.00 0.00 N ATOM 836 CA VAL A 156 14.498 -14.816 -11.224 1.00 0.00 C ATOM 837 C VAL A 156 15.998 -14.580 -11.360 1.00 0.00 C ATOM 838 O VAL A 156 16.438 -13.471 -11.660 1.00 0.00 O ATOM 839 CB VAL A 156 13.923 -15.203 -12.600 1.00 0.00 C ATOM 840 CG1 VAL A 156 12.544 -15.826 -12.447 1.00 0.00 C ATOM 841 CG2 VAL A 156 13.870 -13.989 -13.515 1.00 0.00 C ATOM 0 H VAL A 156 14.277 -12.754 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 156 14.324 -15.632 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 156 14.581 -15.944 -13.054 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.154 -16.093 -13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 156 12.616 -16.721 -11.830 1.00 0.00 H new ATOM 0 HG13 VAL A 156 11.872 -15.111 -11.972 1.00 0.00 H new ATOM 0 HG21 VAL A 156 13.461 -14.280 -14.483 1.00 0.00 H new ATOM 0 HG22 VAL A 156 13.235 -13.224 -13.068 1.00 0.00 H new ATOM 0 HG23 VAL A 156 14.876 -13.591 -13.651 1.00 0.00 H new ATOM 987 N LEU A 168 25.400 -10.324 -8.333 1.00 0.00 N ATOM 988 CA LEU A 168 24.423 -11.008 -7.492 1.00 0.00 C ATOM 989 C LEU A 168 23.050 -10.353 -7.611 1.00 0.00 C ATOM 990 O LEU A 168 22.836 -9.244 -7.121 1.00 0.00 O ATOM 991 CB LEU A 168 24.881 -10.997 -6.033 1.00 0.00 C ATOM 992 CG LEU A 168 25.819 -12.131 -5.615 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.069 -13.453 -5.567 1.00 0.00 C ATOM 994 CD2 LEU A 168 27.003 -12.221 -6.567 1.00 0.00 C ATOM 0 HA LEU A 168 24.344 -12.040 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.381 -10.048 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.997 -11.030 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 168 26.197 -11.915 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 168 25.752 -14.248 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.255 -13.383 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.662 -13.676 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.660 -13.033 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.643 -12.414 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.555 -11.281 -6.551 1.00 0.00 H new ATOM 1006 N ILE A 169 22.124 -11.048 -8.262 1.00 0.00 N ATOM 1007 CA ILE A 169 20.771 -10.536 -8.442 1.00 0.00 C ATOM 1008 C ILE A 169 19.862 -10.971 -7.297 1.00 0.00 C ATOM 1009 O ILE A 169 19.238 -12.031 -7.354 1.00 0.00 O ATOM 1010 CB ILE A 169 20.162 -11.010 -9.775 1.00 0.00 C ATOM 1011 CG1 ILE A 169 21.004 -10.511 -10.951 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.725 -10.526 -9.902 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.172 -9.008 -10.980 1.00 0.00 C ATOM 0 H ILE A 169 22.286 -11.967 -8.674 1.00 0.00 H new ATOM 0 HA ILE A 169 20.844 -9.448 -8.452 1.00 0.00 H new ATOM 0 HB ILE A 169 20.160 -12.100 -9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 169 21.988 -10.978 -10.906 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.540 -10.835 -11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 169 18.308 -10.869 -10.849 1.00 0.00 H new ATOM 0 HG22 ILE A 169 18.132 -10.925 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.704 -9.437 -9.869 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.780 -8.726 -11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 169 20.193 -8.534 -11.056 1.00 0.00 H new ATOM 0 HD13 ILE A 169 21.664 -8.679 -10.065 1.00 0.00 H new ATOM 1025 N PHE A 170 19.791 -10.145 -6.258 1.00 0.00 N ATOM 1026 CA PHE A 170 18.958 -10.444 -5.100 1.00 0.00 C ATOM 1027 C PHE A 170 17.550 -9.883 -5.284 1.00 0.00 C ATOM 1028 O PHE A 170 17.350 -8.668 -5.293 1.00 0.00 O ATOM 1029 CB PHE A 170 19.587 -9.867 -3.830 1.00 0.00 C ATOM 1030 CG PHE A 170 20.519 -10.819 -3.137 1.00 0.00 C ATOM 1031 CD1 PHE A 170 20.022 -11.849 -2.354 1.00 0.00 C ATOM 1032 CD2 PHE A 170 21.892 -10.684 -3.267 1.00 0.00 C ATOM 1033 CE1 PHE A 170 20.877 -12.727 -1.715 1.00 0.00 C ATOM 1034 CE2 PHE A 170 22.751 -11.560 -2.631 1.00 0.00 C ATOM 1035 CZ PHE A 170 22.243 -12.582 -1.853 1.00 0.00 C ATOM 0 H PHE A 170 20.300 -9.264 -6.195 1.00 0.00 H new ATOM 0 HA PHE A 170 18.889 -11.527 -5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 170 20.132 -8.958 -4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.794 -9.580 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 170 18.954 -11.967 -2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 170 22.295 -9.885 -3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 170 20.477 -13.526 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 170 23.819 -11.446 -2.742 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.913 -13.266 -1.354 1.00 0.00 H new ATOM 1045 N CYS A 171 16.578 -10.777 -5.430 1.00 0.00 N ATOM 1046 CA CYS A 171 15.189 -10.374 -5.614 1.00 0.00 C ATOM 1047 C CYS A 171 14.298 -10.984 -4.536 1.00 0.00 C ATOM 1048 O CYS A 171 14.612 -12.036 -3.978 1.00 0.00 O ATOM 1049 CB CYS A 171 14.694 -10.796 -6.999 1.00 0.00 C ATOM 1050 SG CYS A 171 15.000 -12.547 -7.397 1.00 0.00 S ATOM 0 H CYS A 171 16.727 -11.786 -5.424 1.00 0.00 H new ATOM 0 HA CYS A 171 15.137 -9.288 -5.531 1.00 0.00 H new ATOM 0 HB2 CYS A 171 13.624 -10.601 -7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 171 15.178 -10.174 -7.751 1.00 0.00 H new ATOM 1055 N CYS A 172 13.186 -10.317 -4.249 1.00 0.00 N ATOM 1056 CA CYS A 172 12.248 -10.791 -3.238 1.00 0.00 C ATOM 1057 C CYS A 172 10.825 -10.348 -3.565 1.00 0.00 C ATOM 1058 O CYS A 172 10.601 -9.593 -4.511 1.00 0.00 O ATOM 1059 CB CYS A 172 12.650 -10.273 -1.856 1.00 0.00 C ATOM 1060 SG CYS A 172 13.130 -8.515 -1.832 1.00 0.00 S ATOM 0 H CYS A 172 12.912 -9.446 -4.703 1.00 0.00 H new ATOM 0 HA CYS A 172 12.278 -11.881 -3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.818 -10.421 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.482 -10.871 -1.483 1.00 0.00 H new ATOM 1065 N PHE A 173 9.867 -10.823 -2.777 1.00 0.00 N ATOM 1066 CA PHE A 173 8.466 -10.477 -2.982 1.00 0.00 C ATOM 1067 C PHE A 173 7.871 -9.849 -1.726 1.00 0.00 C ATOM 1068 O PHE A 173 6.678 -9.990 -1.453 1.00 0.00 O ATOM 1069 CB PHE A 173 7.664 -11.720 -3.373 1.00 0.00 C ATOM 1070 CG PHE A 173 7.694 -12.014 -4.846 1.00 0.00 C ATOM 1071 CD1 PHE A 173 6.820 -11.376 -5.711 1.00 0.00 C ATOM 1072 CD2 PHE A 173 8.596 -12.929 -5.365 1.00 0.00 C ATOM 1073 CE1 PHE A 173 6.845 -11.644 -7.067 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.626 -13.201 -6.720 1.00 0.00 C ATOM 1075 CZ PHE A 173 7.748 -12.558 -7.572 1.00 0.00 C ATOM 0 H PHE A 173 10.036 -11.449 -1.990 1.00 0.00 H new ATOM 0 HA PHE A 173 8.412 -9.749 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 173 8.056 -12.581 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.629 -11.589 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 173 6.111 -10.661 -5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 173 9.283 -13.435 -4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 173 6.159 -11.139 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 173 9.335 -13.915 -7.112 1.00 0.00 H new ATOM 0 HZ PHE A 173 7.768 -12.770 -8.631 1.00 0.00 H new ATOM 1085 N ARG A 174 8.710 -9.155 -0.964 1.00 0.00 N ATOM 1086 CA ARG A 174 8.268 -8.506 0.265 1.00 0.00 C ATOM 1087 C ARG A 174 8.847 -7.099 0.375 1.00 0.00 C ATOM 1088 O ARG A 174 10.015 -6.871 0.058 1.00 0.00 O ATOM 1089 CB ARG A 174 8.682 -9.336 1.482 1.00 0.00 C ATOM 1090 CG ARG A 174 7.901 -10.632 1.629 1.00 0.00 C ATOM 1091 CD ARG A 174 7.509 -10.884 3.077 1.00 0.00 C ATOM 1092 NE ARG A 174 6.180 -10.363 3.383 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.631 -10.414 4.591 1.00 0.00 C ATOM 1094 NH1 ARG A 174 6.293 -10.960 5.602 1.00 0.00 N ATOM 1095 NH2 ARG A 174 4.416 -9.918 4.791 1.00 0.00 N ATOM 0 H ARG A 174 9.700 -9.028 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 174 7.181 -8.432 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.744 -9.568 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.548 -8.737 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.005 -10.590 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.502 -11.464 1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 174 7.534 -11.955 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.241 -10.419 3.737 1.00 0.00 H new ATOM 0 HE ARG A 174 5.644 -9.936 2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 174 7.227 -11.342 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 174 5.868 -10.998 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 174 3.903 -9.497 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 174 3.995 -9.958 5.719 1.00 0.00 H new ATOM 1109 N ASP A 175 8.023 -6.159 0.824 1.00 0.00 N ATOM 1110 CA ASP A 175 8.453 -4.774 0.977 1.00 0.00 C ATOM 1111 C ASP A 175 9.669 -4.680 1.892 1.00 0.00 C ATOM 1112 O ASP A 175 9.645 -5.161 3.026 1.00 0.00 O ATOM 1113 CB ASP A 175 7.312 -3.922 1.535 1.00 0.00 C ATOM 1114 CG ASP A 175 5.980 -4.239 0.883 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.430 -5.326 1.157 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.488 -3.401 0.098 1.00 0.00 O ATOM 0 H ASP A 175 7.053 -6.331 1.089 1.00 0.00 H new ATOM 0 HA ASP A 175 8.731 -4.395 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.234 -4.083 2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.544 -2.867 1.387 1.00 0.00 H new ATOM 1121 N LEU A 176 10.732 -4.059 1.393 1.00 0.00 N ATOM 1122 CA LEU A 176 11.960 -3.902 2.166 1.00 0.00 C ATOM 1123 C LEU A 176 12.425 -5.243 2.726 1.00 0.00 C ATOM 1124 O LEU A 176 12.911 -5.321 3.855 1.00 0.00 O ATOM 1125 CB LEU A 176 11.744 -2.907 3.307 1.00 0.00 C ATOM 1126 CG LEU A 176 10.973 -1.635 2.952 1.00 0.00 C ATOM 1127 CD1 LEU A 176 10.994 -0.656 4.115 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.552 -0.993 1.700 1.00 0.00 C ATOM 0 H LEU A 176 10.769 -3.656 0.457 1.00 0.00 H new ATOM 0 HA LEU A 176 12.733 -3.519 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.214 -3.417 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 176 12.719 -2.619 3.701 1.00 0.00 H new ATOM 0 HG LEU A 176 9.936 -1.905 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.440 0.243 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.532 -1.118 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.025 -0.391 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.991 -0.089 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.597 -0.737 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.483 -1.693 0.867 1.00 0.00 H new ATOM 1140 N CYS A 177 12.276 -6.295 1.928 1.00 0.00 N ATOM 1141 CA CYS A 177 12.683 -7.632 2.342 1.00 0.00 C ATOM 1142 C CYS A 177 14.102 -7.621 2.902 1.00 0.00 C ATOM 1143 O CYS A 177 14.468 -8.470 3.713 1.00 0.00 O ATOM 1144 CB CYS A 177 12.596 -8.603 1.162 1.00 0.00 C ATOM 1145 SG CYS A 177 14.054 -8.577 0.070 1.00 0.00 S ATOM 0 H CYS A 177 11.876 -6.247 0.991 1.00 0.00 H new ATOM 0 HA CYS A 177 12.004 -7.963 3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.461 -9.614 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.710 -8.365 0.573 1.00 0.00 H new ATOM 1150 N ASN A 178 14.898 -6.651 2.462 1.00 0.00 N ATOM 1151 CA ASN A 178 16.277 -6.528 2.919 1.00 0.00 C ATOM 1152 C ASN A 178 16.673 -5.062 3.066 1.00 0.00 C ATOM 1153 O ASN A 178 16.626 -4.296 2.103 1.00 0.00 O ATOM 1154 CB ASN A 178 17.224 -7.228 1.942 1.00 0.00 C ATOM 1155 CG ASN A 178 17.226 -6.577 0.572 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.171 -6.329 -0.011 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.415 -6.299 0.052 1.00 0.00 N ATOM 0 H ASN A 178 14.611 -5.939 1.790 1.00 0.00 H new ATOM 0 HA ASN A 178 16.354 -7.006 3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.235 -7.216 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.933 -8.274 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 178 18.480 -5.862 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 178 19.264 -6.522 0.572 1.00 0.00 H new