USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 1 MET CE :methyl -155:sc= -1.64 (180deg=-1.86!) USER MOD Set 1.2: A 66 ASN : amide:sc= -7.77! C(o=-9.4!,f=-17!) USER MOD Single : A 1 MET N :NH3+ -105:sc= -0.129 (180deg=-1.22!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -5.65! C(o=-5.7!,f=-6.5!) USER MOD Single : A 10 THR OG1 : rot -64:sc= 1.18 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -40:sc= 0.954 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0533 (180deg=-0.523) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.114 USER MOD Single : A 37 THR OG1 : rot 29:sc= 0.786 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -1.79! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -59:sc= 0.512 USER MOD Single : A 62 THR OG1 : rot -16:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.416 11.296 -2.190 1.00 0.00 N ATOM 2 CA MET A 1 13.660 10.138 -1.632 1.00 0.00 C ATOM 3 C MET A 1 12.455 9.816 -2.520 1.00 0.00 C ATOM 4 O MET A 1 12.025 10.627 -3.317 1.00 0.00 O ATOM 5 CB MET A 1 13.197 10.595 -0.250 1.00 0.00 C ATOM 6 CG MET A 1 12.135 11.685 -0.403 1.00 0.00 C ATOM 7 SD MET A 1 12.171 12.771 1.045 1.00 0.00 S ATOM 8 CE MET A 1 10.731 12.070 1.888 1.00 0.00 C ATOM 0 H1 MET A 1 15.291 10.956 -2.637 1.00 0.00 H new ATOM 0 H2 MET A 1 13.831 11.783 -2.899 1.00 0.00 H new ATOM 0 H3 MET A 1 14.653 11.958 -1.423 1.00 0.00 H new ATOM 0 HA MET A 1 14.268 9.235 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.790 9.751 0.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.044 10.975 0.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.320 12.263 -1.309 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.148 11.234 -0.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.295 12.820 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.991 11.763 1.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.039 11.205 2.475 1.00 0.00 H new ATOM 20 N LYS A 2 11.905 8.640 -2.388 1.00 0.00 N ATOM 21 CA LYS A 2 10.729 8.271 -3.224 1.00 0.00 C ATOM 22 C LYS A 2 9.929 7.153 -2.549 1.00 0.00 C ATOM 23 O LYS A 2 10.153 6.822 -1.401 1.00 0.00 O ATOM 24 CB LYS A 2 11.319 7.783 -4.549 1.00 0.00 C ATOM 25 CG LYS A 2 11.412 8.955 -5.528 1.00 0.00 C ATOM 26 CD LYS A 2 12.877 9.200 -5.896 1.00 0.00 C ATOM 27 CE LYS A 2 13.140 8.682 -7.313 1.00 0.00 C ATOM 28 NZ LYS A 2 12.870 9.845 -8.203 1.00 0.00 N ATOM 0 H LYS A 2 12.219 7.920 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 2 10.046 9.109 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.307 7.354 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.695 6.994 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.832 8.739 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.984 9.852 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.105 10.264 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.531 8.695 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.166 8.332 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.489 7.841 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.029 9.569 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.884 10.152 -8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.509 10.627 -7.955 1.00 0.00 H new ATOM 42 N CYS A 3 8.996 6.571 -3.252 1.00 0.00 N ATOM 43 CA CYS A 3 8.183 5.476 -2.651 1.00 0.00 C ATOM 44 C CYS A 3 8.162 4.262 -3.583 1.00 0.00 C ATOM 45 O CYS A 3 7.635 4.317 -4.674 1.00 0.00 O ATOM 46 CB CYS A 3 6.778 6.061 -2.506 1.00 0.00 C ATOM 47 SG CYS A 3 5.728 4.890 -1.611 1.00 0.00 S ATOM 0 H CYS A 3 8.762 6.806 -4.216 1.00 0.00 H new ATOM 0 HA CYS A 3 8.586 5.138 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.821 7.010 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.355 6.268 -3.489 1.00 0.00 H new ATOM 52 N LYS A 4 8.733 3.168 -3.158 1.00 0.00 N ATOM 53 CA LYS A 4 8.750 1.951 -4.020 1.00 0.00 C ATOM 54 C LYS A 4 7.396 1.239 -3.961 1.00 0.00 C ATOM 55 O LYS A 4 7.007 0.704 -2.942 1.00 0.00 O ATOM 56 CB LYS A 4 9.845 1.065 -3.427 1.00 0.00 C ATOM 57 CG LYS A 4 9.727 -0.347 -4.005 1.00 0.00 C ATOM 58 CD LYS A 4 10.809 -1.240 -3.396 1.00 0.00 C ATOM 59 CE LYS A 4 11.228 -2.304 -4.413 1.00 0.00 C ATOM 60 NZ LYS A 4 12.176 -3.186 -3.677 1.00 0.00 N ATOM 0 H LYS A 4 9.189 3.064 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 4 8.937 2.190 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.827 1.481 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.754 1.034 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.740 -0.757 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.833 -0.317 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.671 -0.639 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.435 -1.716 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.367 -2.865 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.703 -1.853 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.508 -3.942 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.989 -2.626 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.694 -3.607 -2.857 1.00 0.00 H new ATOM 74 N ILE A 5 6.678 1.227 -5.052 1.00 0.00 N ATOM 75 CA ILE A 5 5.352 0.548 -5.066 1.00 0.00 C ATOM 76 C ILE A 5 5.519 -0.927 -5.444 1.00 0.00 C ATOM 77 O ILE A 5 6.200 -1.264 -6.394 1.00 0.00 O ATOM 78 CB ILE A 5 4.539 1.286 -6.131 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.682 2.796 -5.925 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.065 0.895 -6.012 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.039 3.194 -4.596 1.00 0.00 C ATOM 0 H ILE A 5 6.953 1.659 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 5 4.864 0.574 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 5 4.908 1.016 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.735 3.076 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.206 3.332 -6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.487 1.421 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.961 -0.180 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.696 1.165 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.141 4.269 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.982 2.928 -4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.535 2.668 -3.780 1.00 0.00 H new ATOM 93 N CYS A 6 4.901 -1.807 -4.703 1.00 0.00 N ATOM 94 CA CYS A 6 5.022 -3.262 -5.009 1.00 0.00 C ATOM 95 C CYS A 6 3.953 -4.048 -4.245 1.00 0.00 C ATOM 96 O CYS A 6 2.831 -3.607 -4.096 1.00 0.00 O ATOM 97 CB CYS A 6 6.421 -3.650 -4.531 1.00 0.00 C ATOM 98 SG CYS A 6 7.034 -5.048 -5.507 1.00 0.00 S ATOM 0 H CYS A 6 4.317 -1.581 -3.898 1.00 0.00 H new ATOM 0 HA CYS A 6 4.880 -3.479 -6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.098 -2.801 -4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.394 -3.916 -3.474 1.00 0.00 H new ATOM 103 N ASN A 7 4.293 -5.210 -3.757 1.00 0.00 N ATOM 104 CA ASN A 7 3.301 -6.024 -2.999 1.00 0.00 C ATOM 105 C ASN A 7 4.029 -6.996 -2.067 1.00 0.00 C ATOM 106 O ASN A 7 5.008 -7.611 -2.439 1.00 0.00 O ATOM 107 CB ASN A 7 2.517 -6.790 -4.066 1.00 0.00 C ATOM 108 CG ASN A 7 1.900 -5.801 -5.057 1.00 0.00 C ATOM 109 OD1 ASN A 7 0.977 -5.084 -4.724 1.00 0.00 O ATOM 110 ND2 ASN A 7 2.374 -5.731 -6.271 1.00 0.00 N ATOM 0 H ASN A 7 5.217 -5.631 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 7 2.648 -5.411 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.176 -7.482 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.735 -7.388 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.970 -5.075 -6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.149 -6.332 -6.551 1.00 0.00 H new ATOM 117 N PHE A 8 3.562 -7.138 -0.858 1.00 0.00 N ATOM 118 CA PHE A 8 4.234 -8.069 0.092 1.00 0.00 C ATOM 119 C PHE A 8 3.873 -9.519 -0.241 1.00 0.00 C ATOM 120 O PHE A 8 2.755 -9.823 -0.605 1.00 0.00 O ATOM 121 CB PHE A 8 3.695 -7.687 1.471 1.00 0.00 C ATOM 122 CG PHE A 8 4.505 -6.542 2.031 1.00 0.00 C ATOM 123 CD1 PHE A 8 4.664 -5.366 1.288 1.00 0.00 C ATOM 124 CD2 PHE A 8 5.096 -6.657 3.295 1.00 0.00 C ATOM 125 CE1 PHE A 8 5.414 -4.306 1.810 1.00 0.00 C ATOM 126 CE2 PHE A 8 5.846 -5.596 3.816 1.00 0.00 C ATOM 127 CZ PHE A 8 6.005 -4.420 3.073 1.00 0.00 C ATOM 0 H PHE A 8 2.746 -6.651 -0.487 1.00 0.00 H new ATOM 0 HA PHE A 8 5.320 -7.993 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.646 -7.401 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.745 -8.544 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.208 -5.277 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.973 -7.564 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.537 -3.399 1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.302 -5.685 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.584 -3.601 3.475 1.00 0.00 H new ATOM 137 N ASP A 9 4.812 -10.416 -0.117 1.00 0.00 N ATOM 138 CA ASP A 9 4.525 -11.847 -0.425 1.00 0.00 C ATOM 139 C ASP A 9 4.204 -12.021 -1.911 1.00 0.00 C ATOM 140 O ASP A 9 3.687 -13.038 -2.327 1.00 0.00 O ATOM 141 CB ASP A 9 3.305 -12.196 0.429 1.00 0.00 C ATOM 142 CG ASP A 9 3.198 -13.716 0.569 1.00 0.00 C ATOM 143 OD1 ASP A 9 4.188 -14.327 0.935 1.00 0.00 O ATOM 144 OD2 ASP A 9 2.129 -14.240 0.307 1.00 0.00 O ATOM 0 H ASP A 9 5.767 -10.221 0.184 1.00 0.00 H new ATOM 0 HA ASP A 9 5.377 -12.492 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.392 -11.735 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.400 -11.798 -0.030 1.00 0.00 H new ATOM 149 N THR A 10 4.505 -11.038 -2.715 1.00 0.00 N ATOM 150 CA THR A 10 4.213 -11.156 -4.173 1.00 0.00 C ATOM 151 C THR A 10 4.605 -9.867 -4.901 1.00 0.00 C ATOM 152 O THR A 10 3.790 -9.231 -5.537 1.00 0.00 O ATOM 153 CB THR A 10 2.702 -11.380 -4.255 1.00 0.00 C ATOM 154 OG1 THR A 10 2.279 -11.246 -5.604 1.00 0.00 O ATOM 155 CG2 THR A 10 1.983 -10.346 -3.387 1.00 0.00 C ATOM 0 H THR A 10 4.939 -10.161 -2.427 1.00 0.00 H new ATOM 0 HA THR A 10 4.773 -11.965 -4.642 1.00 0.00 H new ATOM 0 HB THR A 10 2.462 -12.381 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.429 -10.325 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.907 -10.507 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.309 -10.450 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.220 -9.344 -3.743 1.00 0.00 H new ATOM 163 N CYS A 11 5.848 -9.480 -4.814 1.00 0.00 N ATOM 164 CA CYS A 11 6.290 -8.233 -5.504 1.00 0.00 C ATOM 165 C CYS A 11 6.337 -8.455 -7.018 1.00 0.00 C ATOM 166 O CYS A 11 7.328 -8.907 -7.557 1.00 0.00 O ATOM 167 CB CYS A 11 7.690 -7.956 -4.960 1.00 0.00 C ATOM 168 SG CYS A 11 7.708 -6.353 -4.119 1.00 0.00 S ATOM 0 H CYS A 11 6.576 -9.972 -4.296 1.00 0.00 H new ATOM 0 HA CYS A 11 5.611 -7.399 -5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.985 -8.745 -4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.415 -7.959 -5.774 1.00 0.00 H new ATOM 173 N ARG A 12 5.277 -8.137 -7.708 1.00 0.00 N ATOM 174 CA ARG A 12 5.267 -8.328 -9.187 1.00 0.00 C ATOM 175 C ARG A 12 5.656 -7.024 -9.886 1.00 0.00 C ATOM 176 O ARG A 12 6.027 -7.013 -11.043 1.00 0.00 O ATOM 177 CB ARG A 12 3.829 -8.716 -9.531 1.00 0.00 C ATOM 178 CG ARG A 12 3.604 -10.193 -9.204 1.00 0.00 C ATOM 179 CD ARG A 12 2.449 -10.733 -10.051 1.00 0.00 C ATOM 180 NE ARG A 12 1.373 -9.710 -9.932 1.00 0.00 N ATOM 181 CZ ARG A 12 0.500 -9.567 -10.891 1.00 0.00 C ATOM 182 NH1 ARG A 12 -0.323 -10.539 -11.176 1.00 0.00 N ATOM 183 NH2 ARG A 12 0.450 -8.451 -11.567 1.00 0.00 N ATOM 0 H ARG A 12 4.418 -7.754 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 12 5.978 -9.088 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.130 -8.098 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.635 -8.534 -10.588 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.512 -10.763 -9.402 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.378 -10.312 -8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.751 -10.869 -11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.113 -11.704 -9.687 1.00 0.00 H new ATOM 0 HE ARG A 12 1.319 -9.121 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.284 -11.411 -10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.005 -10.426 -11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.093 -7.691 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.232 -8.339 -12.317 1.00 0.00 H new ATOM 197 N ALA A 13 5.573 -5.928 -9.189 1.00 0.00 N ATOM 198 CA ALA A 13 5.938 -4.621 -9.804 1.00 0.00 C ATOM 199 C ALA A 13 7.352 -4.219 -9.376 1.00 0.00 C ATOM 200 O ALA A 13 8.297 -4.341 -10.129 1.00 0.00 O ATOM 201 CB ALA A 13 4.909 -3.627 -9.266 1.00 0.00 C ATOM 0 H ALA A 13 5.267 -5.879 -8.217 1.00 0.00 H new ATOM 0 HA ALA A 13 5.932 -4.658 -10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.111 -2.637 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.909 -3.944 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.972 -3.590 -8.178 1.00 0.00 H new ATOM 207 N GLY A 14 7.505 -3.743 -8.169 1.00 0.00 N ATOM 208 CA GLY A 14 8.859 -3.340 -7.696 1.00 0.00 C ATOM 209 C GLY A 14 9.236 -1.991 -8.312 1.00 0.00 C ATOM 210 O GLY A 14 10.361 -1.777 -8.719 1.00 0.00 O ATOM 0 H GLY A 14 6.752 -3.616 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.870 -3.270 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.593 -4.096 -7.974 1.00 0.00 H new ATOM 214 N GLU A 15 8.304 -1.081 -8.388 1.00 0.00 N ATOM 215 CA GLU A 15 8.614 0.252 -8.982 1.00 0.00 C ATOM 216 C GLU A 15 8.745 1.303 -7.877 1.00 0.00 C ATOM 217 O GLU A 15 8.721 0.988 -6.707 1.00 0.00 O ATOM 218 CB GLU A 15 7.421 0.569 -9.884 1.00 0.00 C ATOM 219 CG GLU A 15 7.225 -0.567 -10.890 1.00 0.00 C ATOM 220 CD GLU A 15 6.167 -0.161 -11.917 1.00 0.00 C ATOM 221 OE1 GLU A 15 6.317 0.896 -12.506 1.00 0.00 O ATOM 222 OE2 GLU A 15 5.223 -0.914 -12.096 1.00 0.00 O ATOM 0 H GLU A 15 7.344 -1.201 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 15 9.554 0.251 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.521 0.696 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.589 1.509 -10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.167 -0.790 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.916 -1.476 -10.373 1.00 0.00 H new ATOM 229 N LEU A 16 8.886 2.549 -8.242 1.00 0.00 N ATOM 230 CA LEU A 16 9.018 3.615 -7.215 1.00 0.00 C ATOM 231 C LEU A 16 8.573 4.963 -7.791 1.00 0.00 C ATOM 232 O LEU A 16 8.739 5.235 -8.963 1.00 0.00 O ATOM 233 CB LEU A 16 10.505 3.634 -6.863 1.00 0.00 C ATOM 234 CG LEU A 16 10.828 4.874 -6.031 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.006 4.458 -4.575 1.00 0.00 C ATOM 236 CD2 LEU A 16 12.122 5.510 -6.544 1.00 0.00 C ATOM 0 H LEU A 16 8.915 2.872 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 16 8.396 3.432 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.767 2.734 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.103 3.631 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 16 10.016 5.597 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.237 5.336 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.086 4.000 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.823 3.740 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.353 6.395 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.938 4.793 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.998 5.796 -7.588 1.00 0.00 H new ATOM 248 N LYS A 17 8.007 5.806 -6.971 1.00 0.00 N ATOM 249 CA LYS A 17 7.549 7.136 -7.459 1.00 0.00 C ATOM 250 C LYS A 17 7.769 8.189 -6.370 1.00 0.00 C ATOM 251 O LYS A 17 8.715 8.120 -5.610 1.00 0.00 O ATOM 252 CB LYS A 17 6.056 6.958 -7.745 1.00 0.00 C ATOM 253 CG LYS A 17 5.723 7.549 -9.116 1.00 0.00 C ATOM 254 CD LYS A 17 4.213 7.475 -9.348 1.00 0.00 C ATOM 255 CE LYS A 17 3.937 7.075 -10.799 1.00 0.00 C ATOM 256 NZ LYS A 17 2.797 7.935 -11.222 1.00 0.00 N ATOM 0 H LYS A 17 7.842 5.629 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 17 8.093 7.470 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.794 5.900 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.466 7.451 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.060 8.584 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.249 7.002 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.765 6.750 -8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.754 8.440 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.812 7.241 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.684 6.017 -10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.547 7.720 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.977 7.751 -10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.069 8.936 -11.144 1.00 0.00 H new ATOM 270 N VAL A 18 6.905 9.161 -6.286 1.00 0.00 N ATOM 271 CA VAL A 18 7.069 10.214 -5.245 1.00 0.00 C ATOM 272 C VAL A 18 5.769 10.379 -4.453 1.00 0.00 C ATOM 273 O VAL A 18 4.690 10.131 -4.954 1.00 0.00 O ATOM 274 CB VAL A 18 7.391 11.487 -6.024 1.00 0.00 C ATOM 275 CG1 VAL A 18 8.846 11.441 -6.495 1.00 0.00 C ATOM 276 CG2 VAL A 18 6.464 11.594 -7.238 1.00 0.00 C ATOM 0 H VAL A 18 6.093 9.272 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 18 7.849 9.969 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 18 7.244 12.354 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.077 12.349 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.506 11.367 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.993 10.574 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.695 12.503 -7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.609 10.728 -7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.427 11.627 -6.902 1.00 0.00 H new ATOM 286 N CYS A 19 5.863 10.794 -3.219 1.00 0.00 N ATOM 287 CA CYS A 19 4.630 10.971 -2.398 1.00 0.00 C ATOM 288 C CYS A 19 4.937 11.805 -1.152 1.00 0.00 C ATOM 289 O CYS A 19 4.481 12.922 -1.014 1.00 0.00 O ATOM 290 CB CYS A 19 4.215 9.554 -2.005 1.00 0.00 C ATOM 291 SG CYS A 19 2.450 9.326 -2.344 1.00 0.00 S ATOM 0 H CYS A 19 6.738 11.018 -2.744 1.00 0.00 H new ATOM 0 HA CYS A 19 3.842 11.493 -2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.801 8.824 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.418 9.384 -0.948 1.00 0.00 H new ATOM 296 N ALA A 20 5.704 11.269 -0.242 1.00 0.00 N ATOM 297 CA ALA A 20 6.037 12.031 0.996 1.00 0.00 C ATOM 298 C ALA A 20 6.895 13.253 0.655 1.00 0.00 C ATOM 299 O ALA A 20 8.087 13.270 0.889 1.00 0.00 O ATOM 300 CB ALA A 20 6.822 11.050 1.866 1.00 0.00 C ATOM 0 H ALA A 20 6.114 10.337 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 20 5.146 12.403 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.105 11.537 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.202 10.180 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.720 10.732 1.336 1.00 0.00 H new ATOM 306 N SER A 21 6.297 14.274 0.106 1.00 0.00 N ATOM 307 CA SER A 21 7.079 15.494 -0.247 1.00 0.00 C ATOM 308 C SER A 21 6.202 16.742 -0.111 1.00 0.00 C ATOM 309 O SER A 21 6.428 17.744 -0.759 1.00 0.00 O ATOM 310 CB SER A 21 7.499 15.288 -1.702 1.00 0.00 C ATOM 311 OG SER A 21 8.274 16.402 -2.128 1.00 0.00 O ATOM 0 H SER A 21 5.302 14.317 -0.114 1.00 0.00 H new ATOM 0 HA SER A 21 7.938 15.638 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.077 14.369 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.618 15.179 -2.335 1.00 0.00 H new ATOM 0 HG SER A 21 7.883 17.227 -1.772 1.00 0.00 H new ATOM 317 N GLY A 22 5.205 16.689 0.730 1.00 0.00 N ATOM 318 CA GLY A 22 4.317 17.873 0.907 1.00 0.00 C ATOM 319 C GLY A 22 3.033 17.682 0.096 1.00 0.00 C ATOM 320 O GLY A 22 2.171 18.538 0.072 1.00 0.00 O ATOM 0 H GLY A 22 4.967 15.878 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.076 18.004 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.832 18.777 0.583 1.00 0.00 H new ATOM 324 N GLU A 23 2.896 16.568 -0.569 1.00 0.00 N ATOM 325 CA GLU A 23 1.666 16.328 -1.377 1.00 0.00 C ATOM 326 C GLU A 23 0.773 15.295 -0.685 1.00 0.00 C ATOM 327 O GLU A 23 -0.195 15.633 -0.034 1.00 0.00 O ATOM 328 CB GLU A 23 2.171 15.789 -2.716 1.00 0.00 C ATOM 329 CG GLU A 23 0.981 15.344 -3.569 1.00 0.00 C ATOM 330 CD GLU A 23 0.377 16.559 -4.277 1.00 0.00 C ATOM 331 OE1 GLU A 23 0.656 17.668 -3.851 1.00 0.00 O ATOM 332 OE2 GLU A 23 -0.353 16.358 -5.234 1.00 0.00 O ATOM 0 H GLU A 23 3.582 15.813 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 23 1.069 17.232 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.739 16.558 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.847 14.950 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.302 14.605 -4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.229 14.865 -2.942 1.00 0.00 H new ATOM 339 N LYS A 24 1.093 14.036 -0.819 1.00 0.00 N ATOM 340 CA LYS A 24 0.263 12.983 -0.167 1.00 0.00 C ATOM 341 C LYS A 24 1.158 11.870 0.384 1.00 0.00 C ATOM 342 O LYS A 24 2.364 11.906 0.248 1.00 0.00 O ATOM 343 CB LYS A 24 -0.644 12.445 -1.274 1.00 0.00 C ATOM 344 CG LYS A 24 0.191 12.130 -2.517 1.00 0.00 C ATOM 345 CD LYS A 24 -0.739 11.903 -3.710 1.00 0.00 C ATOM 346 CE LYS A 24 0.013 12.196 -5.011 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.694 13.362 -5.608 1.00 0.00 N ATOM 0 H LYS A 24 1.892 13.692 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.311 13.374 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.158 11.547 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.412 13.179 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.875 12.952 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.801 11.244 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.101 10.875 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.613 12.549 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.061 12.426 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.007 11.336 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.076 13.822 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.564 13.038 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.937 14.042 -4.859 1.00 0.00 H new ATOM 361 N TYR A 25 0.574 10.883 1.007 1.00 0.00 N ATOM 362 CA TYR A 25 1.386 9.770 1.572 1.00 0.00 C ATOM 363 C TYR A 25 1.191 8.498 0.742 1.00 0.00 C ATOM 364 O TYR A 25 0.256 8.382 -0.024 1.00 0.00 O ATOM 365 CB TYR A 25 0.844 9.566 2.987 1.00 0.00 C ATOM 366 CG TYR A 25 0.654 10.904 3.660 1.00 0.00 C ATOM 367 CD1 TYR A 25 1.521 11.964 3.370 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.390 11.084 4.575 1.00 0.00 C ATOM 369 CE1 TYR A 25 1.344 13.205 3.995 1.00 0.00 C ATOM 370 CE2 TYR A 25 -0.567 12.324 5.201 1.00 0.00 C ATOM 371 CZ TYR A 25 0.300 13.384 4.910 1.00 0.00 C ATOM 372 OH TYR A 25 0.125 14.606 5.526 1.00 0.00 O ATOM 0 H TYR A 25 -0.433 10.800 1.149 1.00 0.00 H new ATOM 0 HA TYR A 25 2.453 9.995 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.104 9.030 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.534 8.952 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.327 11.825 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.059 10.266 4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.013 14.023 3.771 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.372 12.463 5.908 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.645 14.560 6.130 1.00 0.00 H new ATOM 382 N CYS A 26 2.060 7.537 0.900 1.00 0.00 N ATOM 383 CA CYS A 26 1.916 6.269 0.131 1.00 0.00 C ATOM 384 C CYS A 26 0.991 5.315 0.891 1.00 0.00 C ATOM 385 O CYS A 26 1.357 4.765 1.911 1.00 0.00 O ATOM 386 CB CYS A 26 3.330 5.695 0.043 1.00 0.00 C ATOM 387 SG CYS A 26 3.888 5.719 -1.678 1.00 0.00 S ATOM 0 H CYS A 26 2.863 7.575 1.528 1.00 0.00 H new ATOM 0 HA CYS A 26 1.484 6.422 -0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.010 6.278 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.344 4.675 0.426 1.00 0.00 H new ATOM 392 N PHE A 27 -0.210 5.128 0.417 1.00 0.00 N ATOM 393 CA PHE A 27 -1.156 4.225 1.132 1.00 0.00 C ATOM 394 C PHE A 27 -1.191 2.838 0.483 1.00 0.00 C ATOM 395 O PHE A 27 -1.427 2.697 -0.701 1.00 0.00 O ATOM 396 CB PHE A 27 -2.521 4.910 1.015 1.00 0.00 C ATOM 397 CG PHE A 27 -3.089 4.689 -0.368 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.744 5.553 -1.414 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.962 3.619 -0.602 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.271 5.345 -2.694 1.00 0.00 C ATOM 401 CE2 PHE A 27 -4.487 3.411 -1.882 1.00 0.00 C ATOM 402 CZ PHE A 27 -4.143 4.275 -2.928 1.00 0.00 C ATOM 0 H PHE A 27 -0.576 5.560 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.860 4.069 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.203 4.512 1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.420 5.978 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.072 6.379 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.230 2.954 0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.005 6.011 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.158 2.584 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.550 4.116 -3.916 1.00 0.00 H new ATOM 412 N LYS A 28 -0.975 1.813 1.259 1.00 0.00 N ATOM 413 CA LYS A 28 -1.014 0.431 0.706 1.00 0.00 C ATOM 414 C LYS A 28 -2.209 -0.315 1.305 1.00 0.00 C ATOM 415 O LYS A 28 -2.722 0.059 2.340 1.00 0.00 O ATOM 416 CB LYS A 28 0.307 -0.211 1.138 1.00 0.00 C ATOM 417 CG LYS A 28 0.240 -0.589 2.620 1.00 0.00 C ATOM 418 CD LYS A 28 0.171 -2.111 2.756 1.00 0.00 C ATOM 419 CE LYS A 28 0.741 -2.530 4.114 1.00 0.00 C ATOM 420 NZ LYS A 28 1.615 -3.700 3.819 1.00 0.00 N ATOM 0 H LYS A 28 -0.772 1.874 2.257 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.126 0.409 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.505 -1.098 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.131 0.481 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.116 -0.206 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.634 -0.132 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.861 -2.448 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.734 -2.584 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.308 -1.719 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.054 -2.796 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.043 -4.045 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.047 -4.458 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.366 -3.415 3.159 1.00 0.00 H new ATOM 434 N GLU A 29 -2.663 -1.357 0.668 1.00 0.00 N ATOM 435 CA GLU A 29 -3.832 -2.104 1.218 1.00 0.00 C ATOM 436 C GLU A 29 -3.659 -3.610 1.011 1.00 0.00 C ATOM 437 O GLU A 29 -3.106 -4.054 0.026 1.00 0.00 O ATOM 438 CB GLU A 29 -5.036 -1.589 0.429 1.00 0.00 C ATOM 439 CG GLU A 29 -4.871 -1.945 -1.049 1.00 0.00 C ATOM 440 CD GLU A 29 -5.138 -0.706 -1.905 1.00 0.00 C ATOM 441 OE1 GLU A 29 -6.243 -0.192 -1.838 1.00 0.00 O ATOM 442 OE2 GLU A 29 -4.236 -0.292 -2.613 1.00 0.00 O ATOM 0 H GLU A 29 -2.280 -1.723 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.947 -1.949 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.954 -2.028 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.125 -0.509 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.864 -2.318 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.561 -2.744 -1.321 1.00 0.00 H new ATOM 449 N SER A 30 -4.135 -4.398 1.937 1.00 0.00 N ATOM 450 CA SER A 30 -4.009 -5.877 1.802 1.00 0.00 C ATOM 451 C SER A 30 -5.394 -6.526 1.859 1.00 0.00 C ATOM 452 O SER A 30 -6.058 -6.507 2.877 1.00 0.00 O ATOM 453 CB SER A 30 -3.159 -6.312 2.995 1.00 0.00 C ATOM 454 OG SER A 30 -3.774 -7.425 3.634 1.00 0.00 O ATOM 0 H SER A 30 -4.607 -4.080 2.783 1.00 0.00 H new ATOM 0 HA SER A 30 -3.557 -6.173 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.156 -6.578 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.053 -5.487 3.700 1.00 0.00 H new ATOM 0 HG SER A 30 -3.229 -7.706 4.399 1.00 0.00 H new ATOM 460 N TRP A 31 -5.838 -7.096 0.772 1.00 0.00 N ATOM 461 CA TRP A 31 -7.181 -7.742 0.762 1.00 0.00 C ATOM 462 C TRP A 31 -7.078 -9.189 1.253 1.00 0.00 C ATOM 463 O TRP A 31 -6.374 -9.999 0.683 1.00 0.00 O ATOM 464 CB TRP A 31 -7.628 -7.702 -0.700 1.00 0.00 C ATOM 465 CG TRP A 31 -9.055 -7.256 -0.771 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.079 -7.820 -0.093 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.630 -6.166 -1.549 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.246 -7.148 -0.403 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.022 -6.119 -1.297 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.085 -5.223 -2.439 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -11.844 -5.171 -1.907 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.910 -4.267 -3.054 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.286 -4.241 -2.788 1.00 0.00 C ATOM 0 H TRP A 31 -5.328 -7.142 -0.110 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.888 -7.235 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.994 -7.021 -1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.521 -8.688 -1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.998 -8.660 0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.161 -7.383 -0.019 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.026 -5.234 -2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.904 -5.156 -1.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.482 -3.548 -3.736 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -11.914 -3.503 -3.264 1.00 0.00 H new ATOM 484 N ARG A 32 -7.776 -9.521 2.305 1.00 0.00 N ATOM 485 CA ARG A 32 -7.716 -10.916 2.828 1.00 0.00 C ATOM 486 C ARG A 32 -8.740 -11.795 2.103 1.00 0.00 C ATOM 487 O ARG A 32 -9.933 -11.648 2.278 1.00 0.00 O ATOM 488 CB ARG A 32 -8.065 -10.801 4.313 1.00 0.00 C ATOM 489 CG ARG A 32 -7.411 -11.951 5.081 1.00 0.00 C ATOM 490 CD ARG A 32 -8.497 -12.841 5.692 1.00 0.00 C ATOM 491 NE ARG A 32 -8.125 -14.228 5.300 1.00 0.00 N ATOM 492 CZ ARG A 32 -6.939 -14.692 5.588 1.00 0.00 C ATOM 493 NH1 ARG A 32 -6.645 -15.014 6.818 1.00 0.00 N ATOM 494 NH2 ARG A 32 -6.047 -14.832 4.645 1.00 0.00 N ATOM 0 H ARG A 32 -8.384 -8.888 2.824 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.738 -11.372 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.720 -9.845 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.146 -10.829 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.780 -12.536 4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.765 -11.557 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.532 -12.733 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.484 -12.575 5.314 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.797 -14.816 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.342 -14.903 7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.718 -15.376 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.277 -14.579 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.120 -15.194 4.869 1.00 0.00 H new ATOM 508 N GLU A 33 -8.282 -12.705 1.289 1.00 0.00 N ATOM 509 CA GLU A 33 -9.227 -13.592 0.552 1.00 0.00 C ATOM 510 C GLU A 33 -9.269 -14.978 1.200 1.00 0.00 C ATOM 511 O GLU A 33 -8.452 -15.309 2.037 1.00 0.00 O ATOM 512 CB GLU A 33 -8.662 -13.678 -0.865 1.00 0.00 C ATOM 513 CG GLU A 33 -9.808 -13.631 -1.876 1.00 0.00 C ATOM 514 CD GLU A 33 -9.244 -13.383 -3.276 1.00 0.00 C ATOM 515 OE1 GLU A 33 -8.592 -14.272 -3.796 1.00 0.00 O ATOM 516 OE2 GLU A 33 -9.475 -12.307 -3.804 1.00 0.00 O ATOM 0 H GLU A 33 -7.294 -12.873 1.102 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.247 -13.209 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.972 -12.853 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.094 -14.601 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.363 -14.569 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.510 -12.840 -1.610 1.00 0.00 H new ATOM 523 N ALA A 34 -10.215 -15.792 0.819 1.00 0.00 N ATOM 524 CA ALA A 34 -10.310 -17.156 1.414 1.00 0.00 C ATOM 525 C ALA A 34 -9.221 -18.063 0.834 1.00 0.00 C ATOM 526 O ALA A 34 -8.938 -19.122 1.362 1.00 0.00 O ATOM 527 CB ALA A 34 -11.697 -17.663 1.019 1.00 0.00 C ATOM 0 H ALA A 34 -10.926 -15.572 0.122 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.172 -17.146 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.846 -18.665 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.457 -16.994 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.778 -17.691 -0.068 1.00 0.00 H new ATOM 533 N ARG A 35 -8.609 -17.660 -0.245 1.00 0.00 N ATOM 534 CA ARG A 35 -7.540 -18.503 -0.854 1.00 0.00 C ATOM 535 C ARG A 35 -6.241 -17.704 -0.975 1.00 0.00 C ATOM 536 O ARG A 35 -5.497 -17.852 -1.925 1.00 0.00 O ATOM 537 CB ARG A 35 -8.069 -18.878 -2.239 1.00 0.00 C ATOM 538 CG ARG A 35 -7.177 -19.960 -2.849 1.00 0.00 C ATOM 539 CD ARG A 35 -7.138 -19.793 -4.371 1.00 0.00 C ATOM 540 NE ARG A 35 -6.181 -20.831 -4.846 1.00 0.00 N ATOM 541 CZ ARG A 35 -4.976 -20.886 -4.346 1.00 0.00 C ATOM 542 NH1 ARG A 35 -4.777 -21.442 -3.183 1.00 0.00 N ATOM 543 NH2 ARG A 35 -3.971 -20.386 -5.011 1.00 0.00 N ATOM 0 H ARG A 35 -8.802 -16.785 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.317 -19.383 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.095 -19.238 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.086 -17.999 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.170 -19.889 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.558 -20.948 -2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.126 -19.936 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.807 -18.793 -4.650 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.467 -21.499 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.563 -21.834 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.836 -21.485 -2.793 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.127 -19.952 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.030 -20.429 -4.621 1.00 0.00 H new ATOM 557 N GLY A 36 -5.959 -16.860 -0.020 1.00 0.00 N ATOM 558 CA GLY A 36 -4.706 -16.056 -0.083 1.00 0.00 C ATOM 559 C GLY A 36 -5.040 -14.571 0.067 1.00 0.00 C ATOM 560 O GLY A 36 -6.168 -14.156 -0.115 1.00 0.00 O ATOM 0 H GLY A 36 -6.542 -16.693 0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.023 -16.367 0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.197 -16.231 -1.031 1.00 0.00 H new ATOM 564 N THR A 37 -4.068 -13.766 0.399 1.00 0.00 N ATOM 565 CA THR A 37 -4.328 -12.307 0.559 1.00 0.00 C ATOM 566 C THR A 37 -3.530 -11.511 -0.478 1.00 0.00 C ATOM 567 O THR A 37 -2.431 -11.877 -0.842 1.00 0.00 O ATOM 568 CB THR A 37 -3.856 -11.972 1.975 1.00 0.00 C ATOM 569 OG1 THR A 37 -4.013 -10.580 2.209 1.00 0.00 O ATOM 570 CG2 THR A 37 -2.383 -12.353 2.129 1.00 0.00 C ATOM 0 H THR A 37 -3.104 -14.056 0.566 1.00 0.00 H new ATOM 0 HA THR A 37 -5.378 -12.056 0.411 1.00 0.00 H new ATOM 0 HB THR A 37 -4.451 -12.532 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.754 -10.239 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.049 -12.113 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.263 -13.422 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.786 -11.796 1.407 1.00 0.00 H new ATOM 578 N ARG A 38 -4.076 -10.426 -0.954 1.00 0.00 N ATOM 579 CA ARG A 38 -3.348 -9.609 -1.967 1.00 0.00 C ATOM 580 C ARG A 38 -2.954 -8.255 -1.370 1.00 0.00 C ATOM 581 O ARG A 38 -3.468 -7.843 -0.349 1.00 0.00 O ATOM 582 CB ARG A 38 -4.343 -9.419 -3.112 1.00 0.00 C ATOM 583 CG ARG A 38 -3.690 -9.837 -4.431 1.00 0.00 C ATOM 584 CD ARG A 38 -3.123 -8.603 -5.134 1.00 0.00 C ATOM 585 NE ARG A 38 -1.717 -8.963 -5.465 1.00 0.00 N ATOM 586 CZ ARG A 38 -1.418 -9.390 -6.662 1.00 0.00 C ATOM 587 NH1 ARG A 38 -1.802 -8.714 -7.710 1.00 0.00 N ATOM 588 NH2 ARG A 38 -0.734 -10.491 -6.811 1.00 0.00 N ATOM 0 H ARG A 38 -4.993 -10.070 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.428 -10.089 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.238 -10.014 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.659 -8.377 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.895 -10.559 -4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.422 -10.329 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.692 -8.364 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.165 -7.726 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.988 -8.876 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.335 -7.852 -7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.569 -9.047 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.432 -11.019 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.501 -10.824 -7.747 1.00 0.00 H new ATOM 602 N ILE A 39 -2.045 -7.561 -1.998 1.00 0.00 N ATOM 603 CA ILE A 39 -1.620 -6.236 -1.464 1.00 0.00 C ATOM 604 C ILE A 39 -1.454 -5.231 -2.606 1.00 0.00 C ATOM 605 O ILE A 39 -1.171 -5.595 -3.730 1.00 0.00 O ATOM 606 CB ILE A 39 -0.279 -6.495 -0.778 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.496 -7.396 0.439 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.328 -5.165 -0.326 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.466 -8.583 0.373 1.00 0.00 C ATOM 0 H ILE A 39 -1.579 -7.854 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.354 -5.815 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 39 0.399 -6.985 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.331 -6.831 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.527 -7.750 0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.284 -5.349 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.482 -4.522 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.349 -4.675 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.312 -9.225 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.280 -9.152 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.493 -8.219 0.370 1.00 0.00 H new ATOM 621 N GLU A 40 -1.630 -3.970 -2.327 1.00 0.00 N ATOM 622 CA GLU A 40 -1.482 -2.941 -3.396 1.00 0.00 C ATOM 623 C GLU A 40 -0.990 -1.622 -2.793 1.00 0.00 C ATOM 624 O GLU A 40 -1.146 -1.371 -1.615 1.00 0.00 O ATOM 625 CB GLU A 40 -2.887 -2.775 -3.978 1.00 0.00 C ATOM 626 CG GLU A 40 -2.789 -2.221 -5.401 1.00 0.00 C ATOM 627 CD GLU A 40 -4.075 -1.467 -5.743 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.121 -1.871 -5.263 1.00 0.00 O ATOM 629 OE2 GLU A 40 -3.992 -0.498 -6.480 1.00 0.00 O ATOM 0 H GLU A 40 -1.870 -3.606 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.757 -3.232 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.405 -3.734 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.473 -2.101 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.931 -1.555 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.632 -3.034 -6.110 1.00 0.00 H new ATOM 636 N ARG A 41 -0.397 -0.777 -3.592 1.00 0.00 N ATOM 637 CA ARG A 41 0.103 0.524 -3.060 1.00 0.00 C ATOM 638 C ARG A 41 -0.302 1.668 -3.993 1.00 0.00 C ATOM 639 O ARG A 41 -1.006 1.472 -4.964 1.00 0.00 O ATOM 640 CB ARG A 41 1.624 0.378 -3.020 1.00 0.00 C ATOM 641 CG ARG A 41 2.011 -0.674 -1.980 1.00 0.00 C ATOM 642 CD ARG A 41 3.454 -0.442 -1.529 1.00 0.00 C ATOM 643 NE ARG A 41 3.370 0.649 -0.519 1.00 0.00 N ATOM 644 CZ ARG A 41 3.446 0.370 0.753 1.00 0.00 C ATOM 645 NH1 ARG A 41 3.083 -0.808 1.185 1.00 0.00 N ATOM 646 NH2 ARG A 41 3.885 1.267 1.592 1.00 0.00 N ATOM 0 H ARG A 41 -0.237 -0.930 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.310 0.754 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.998 0.088 -4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.085 1.334 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.338 -0.619 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.907 -1.673 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.883 -1.347 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.089 -0.156 -2.368 1.00 0.00 H new ATOM 0 HE ARG A 41 3.253 1.616 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.740 -1.509 0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.142 -1.027 2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.169 2.186 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.945 1.049 2.587 1.00 0.00 H new ATOM 660 N GLY A 42 0.139 2.862 -3.706 1.00 0.00 N ATOM 661 CA GLY A 42 -0.220 4.017 -4.575 1.00 0.00 C ATOM 662 C GLY A 42 0.180 5.322 -3.884 1.00 0.00 C ATOM 663 O GLY A 42 1.081 5.353 -3.068 1.00 0.00 O ATOM 0 H GLY A 42 0.732 3.087 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.286 3.933 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.291 4.014 -4.777 1.00 0.00 H new ATOM 667 N CYS A 43 -0.485 6.400 -4.200 1.00 0.00 N ATOM 668 CA CYS A 43 -0.143 7.702 -3.560 1.00 0.00 C ATOM 669 C CYS A 43 -1.422 8.461 -3.195 1.00 0.00 C ATOM 670 O CYS A 43 -2.120 8.968 -4.050 1.00 0.00 O ATOM 671 CB CYS A 43 0.650 8.467 -4.618 1.00 0.00 C ATOM 672 SG CYS A 43 2.404 8.470 -4.172 1.00 0.00 S ATOM 0 H CYS A 43 -1.250 6.435 -4.874 1.00 0.00 H new ATOM 0 HA CYS A 43 0.426 7.574 -2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.513 8.004 -5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.282 9.490 -4.695 1.00 0.00 H new ATOM 677 N ALA A 44 -1.736 8.541 -1.931 1.00 0.00 N ATOM 678 CA ALA A 44 -2.970 9.266 -1.514 1.00 0.00 C ATOM 679 C ALA A 44 -2.878 9.657 -0.035 1.00 0.00 C ATOM 680 O ALA A 44 -1.821 9.622 0.561 1.00 0.00 O ATOM 681 CB ALA A 44 -4.109 8.271 -1.739 1.00 0.00 C ATOM 0 H ALA A 44 -1.192 8.136 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.119 10.188 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.055 8.731 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.144 7.990 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.941 7.382 -1.132 1.00 0.00 H new ATOM 687 N ALA A 45 -3.978 10.027 0.559 1.00 0.00 N ATOM 688 CA ALA A 45 -3.951 10.421 1.998 1.00 0.00 C ATOM 689 C ALA A 45 -5.336 10.243 2.624 1.00 0.00 C ATOM 690 O ALA A 45 -5.637 10.803 3.660 1.00 0.00 O ATOM 691 CB ALA A 45 -3.550 11.894 1.994 1.00 0.00 C ATOM 0 H ALA A 45 -4.894 10.074 0.112 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.261 9.810 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.507 12.262 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.571 12.003 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.286 12.470 1.432 1.00 0.00 H new ATOM 697 N THR A 46 -6.183 9.469 2.003 1.00 0.00 N ATOM 698 CA THR A 46 -7.549 9.257 2.562 1.00 0.00 C ATOM 699 C THR A 46 -7.540 8.093 3.556 1.00 0.00 C ATOM 700 O THR A 46 -8.393 7.997 4.415 1.00 0.00 O ATOM 701 CB THR A 46 -8.423 8.922 1.353 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.065 9.763 0.264 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.894 9.141 1.707 1.00 0.00 C ATOM 0 H THR A 46 -5.989 8.974 1.133 1.00 0.00 H new ATOM 0 HA THR A 46 -7.915 10.131 3.101 1.00 0.00 H new ATOM 0 HB THR A 46 -8.271 7.880 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.623 9.548 -0.512 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.515 8.902 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.167 8.495 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.049 10.183 1.988 1.00 0.00 H new ATOM 711 N CYS A 47 -6.572 7.217 3.445 1.00 0.00 N ATOM 712 CA CYS A 47 -6.478 6.057 4.373 1.00 0.00 C ATOM 713 C CYS A 47 -7.872 5.556 4.768 1.00 0.00 C ATOM 714 O CYS A 47 -8.422 5.972 5.768 1.00 0.00 O ATOM 715 CB CYS A 47 -5.728 6.589 5.588 1.00 0.00 C ATOM 716 SG CYS A 47 -4.283 7.543 5.051 1.00 0.00 S ATOM 0 H CYS A 47 -5.836 7.261 2.741 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.969 5.208 3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.387 7.217 6.187 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.413 5.761 6.223 1.00 0.00 H new ATOM 721 N PRO A 48 -8.394 4.673 3.961 1.00 0.00 N ATOM 722 CA PRO A 48 -9.738 4.100 4.221 1.00 0.00 C ATOM 723 C PRO A 48 -9.682 3.114 5.390 1.00 0.00 C ATOM 724 O PRO A 48 -8.754 3.117 6.174 1.00 0.00 O ATOM 725 CB PRO A 48 -10.078 3.382 2.919 1.00 0.00 C ATOM 726 CG PRO A 48 -8.756 3.067 2.293 1.00 0.00 C ATOM 727 CD PRO A 48 -7.788 4.129 2.741 1.00 0.00 C ATOM 0 HA PRO A 48 -10.479 4.851 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.652 2.474 3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.683 4.012 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.411 2.079 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.838 3.055 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.801 3.711 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.662 4.900 1.981 1.00 0.00 H new ATOM 735 N LYS A 49 -10.668 2.268 5.512 1.00 0.00 N ATOM 736 CA LYS A 49 -10.670 1.282 6.632 1.00 0.00 C ATOM 737 C LYS A 49 -11.156 -0.083 6.137 1.00 0.00 C ATOM 738 O LYS A 49 -11.255 -0.324 4.950 1.00 0.00 O ATOM 739 CB LYS A 49 -11.645 1.853 7.663 1.00 0.00 C ATOM 740 CG LYS A 49 -13.053 1.897 7.067 1.00 0.00 C ATOM 741 CD LYS A 49 -13.768 3.168 7.534 1.00 0.00 C ATOM 742 CE LYS A 49 -14.384 2.928 8.915 1.00 0.00 C ATOM 743 NZ LYS A 49 -14.813 4.276 9.383 1.00 0.00 N ATOM 0 H LYS A 49 -11.472 2.216 4.886 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.674 1.133 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.639 1.239 8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.333 2.855 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.999 1.877 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.617 1.016 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.064 3.999 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.544 3.445 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.229 2.242 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.660 2.484 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.246 4.195 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.986 4.905 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.507 4.671 8.716 1.00 0.00 H new ATOM 757 N GLY A 50 -11.459 -0.976 7.039 1.00 0.00 N ATOM 758 CA GLY A 50 -11.937 -2.325 6.623 1.00 0.00 C ATOM 759 C GLY A 50 -12.603 -3.023 7.811 1.00 0.00 C ATOM 760 O GLY A 50 -13.087 -2.384 8.725 1.00 0.00 O ATOM 0 H GLY A 50 -11.396 -0.830 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.645 -2.233 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.101 -2.922 6.260 1.00 0.00 H new ATOM 764 N SER A 51 -12.631 -4.328 7.807 1.00 0.00 N ATOM 765 CA SER A 51 -13.265 -5.065 8.938 1.00 0.00 C ATOM 766 C SER A 51 -13.365 -6.558 8.608 1.00 0.00 C ATOM 767 O SER A 51 -12.477 -7.330 8.912 1.00 0.00 O ATOM 768 CB SER A 51 -14.660 -4.456 9.079 1.00 0.00 C ATOM 769 OG SER A 51 -15.565 -5.455 9.527 1.00 0.00 O ATOM 0 H SER A 51 -12.242 -4.916 7.070 1.00 0.00 H new ATOM 0 HA SER A 51 -12.688 -4.980 9.859 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.637 -3.626 9.785 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.991 -4.051 8.123 1.00 0.00 H new ATOM 0 HG SER A 51 -16.460 -5.067 9.620 1.00 0.00 H new ATOM 775 N VAL A 52 -14.437 -6.968 7.987 1.00 0.00 N ATOM 776 CA VAL A 52 -14.590 -8.410 7.638 1.00 0.00 C ATOM 777 C VAL A 52 -13.991 -8.684 6.255 1.00 0.00 C ATOM 778 O VAL A 52 -13.432 -9.733 6.007 1.00 0.00 O ATOM 779 CB VAL A 52 -16.098 -8.660 7.633 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.379 -10.079 7.136 1.00 0.00 C ATOM 781 CG2 VAL A 52 -16.646 -8.499 9.053 1.00 0.00 C ATOM 0 H VAL A 52 -15.213 -6.368 7.706 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.074 -9.064 8.341 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.583 -7.942 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.454 -10.257 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.989 -10.194 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.894 -10.798 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.721 -8.677 9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -16.161 -9.217 9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.447 -7.488 9.407 1.00 0.00 H new ATOM 791 N TYR A 53 -14.102 -7.746 5.353 1.00 0.00 N ATOM 792 CA TYR A 53 -13.536 -7.954 3.989 1.00 0.00 C ATOM 793 C TYR A 53 -12.027 -8.203 4.077 1.00 0.00 C ATOM 794 O TYR A 53 -11.430 -8.772 3.186 1.00 0.00 O ATOM 795 CB TYR A 53 -13.821 -6.654 3.237 1.00 0.00 C ATOM 796 CG TYR A 53 -15.280 -6.293 3.382 1.00 0.00 C ATOM 797 CD1 TYR A 53 -16.266 -7.153 2.884 1.00 0.00 C ATOM 798 CD2 TYR A 53 -15.646 -5.099 4.013 1.00 0.00 C ATOM 799 CE1 TYR A 53 -17.619 -6.818 3.019 1.00 0.00 C ATOM 800 CE2 TYR A 53 -16.999 -4.763 4.147 1.00 0.00 C ATOM 801 CZ TYR A 53 -17.986 -5.624 3.649 1.00 0.00 C ATOM 802 OH TYR A 53 -19.319 -5.293 3.781 1.00 0.00 O ATOM 0 H TYR A 53 -14.559 -6.846 5.501 1.00 0.00 H new ATOM 0 HA TYR A 53 -13.973 -8.818 3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.197 -5.851 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -13.568 -6.769 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -15.983 -8.074 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -14.885 -4.436 4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -18.380 -7.482 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -17.281 -3.841 4.634 1.00 0.00 H new ATOM 0 HH TYR A 53 -19.398 -4.432 4.243 1.00 0.00 H new ATOM 812 N GLY A 54 -11.409 -7.781 5.147 1.00 0.00 N ATOM 813 CA GLY A 54 -9.941 -7.994 5.291 1.00 0.00 C ATOM 814 C GLY A 54 -9.191 -6.932 4.484 1.00 0.00 C ATOM 815 O GLY A 54 -8.322 -7.239 3.693 1.00 0.00 O ATOM 0 H GLY A 54 -11.857 -7.299 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.656 -7.937 6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.671 -8.990 4.941 1.00 0.00 H new ATOM 819 N LEU A 55 -9.520 -5.685 4.677 1.00 0.00 N ATOM 820 CA LEU A 55 -8.825 -4.604 3.920 1.00 0.00 C ATOM 821 C LEU A 55 -7.795 -3.911 4.814 1.00 0.00 C ATOM 822 O LEU A 55 -8.055 -2.873 5.388 1.00 0.00 O ATOM 823 CB LEU A 55 -9.932 -3.628 3.520 1.00 0.00 C ATOM 824 CG LEU A 55 -10.353 -3.895 2.074 1.00 0.00 C ATOM 825 CD1 LEU A 55 -9.165 -3.649 1.142 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.812 -5.348 1.940 1.00 0.00 C ATOM 0 H LEU A 55 -10.240 -5.367 5.326 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.286 -4.987 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.788 -3.741 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.581 -2.601 3.624 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.171 -3.227 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.465 -3.839 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.835 -2.615 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.347 -4.317 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.113 -5.541 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.993 -6.015 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.658 -5.525 2.604 1.00 0.00 H new ATOM 838 N TYR A 56 -6.623 -4.474 4.934 1.00 0.00 N ATOM 839 CA TYR A 56 -5.578 -3.841 5.789 1.00 0.00 C ATOM 840 C TYR A 56 -4.902 -2.699 5.028 1.00 0.00 C ATOM 841 O TYR A 56 -3.976 -2.909 4.270 1.00 0.00 O ATOM 842 CB TYR A 56 -4.574 -4.956 6.086 1.00 0.00 C ATOM 843 CG TYR A 56 -3.397 -4.384 6.840 1.00 0.00 C ATOM 844 CD1 TYR A 56 -3.597 -3.369 7.783 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.106 -4.867 6.594 1.00 0.00 C ATOM 846 CE1 TYR A 56 -2.507 -2.838 8.482 1.00 0.00 C ATOM 847 CE2 TYR A 56 -1.015 -4.336 7.294 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.216 -3.322 8.238 1.00 0.00 C ATOM 849 OH TYR A 56 -0.141 -2.798 8.928 1.00 0.00 O ATOM 0 H TYR A 56 -6.344 -5.343 4.478 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.993 -3.417 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -5.049 -5.741 6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.237 -5.414 5.156 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.593 -2.996 7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.951 -5.649 5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.662 -2.055 9.210 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.019 -4.709 7.105 1.00 0.00 H new ATOM 0 HH TYR A 56 0.682 -3.245 8.640 1.00 0.00 H new ATOM 859 N VAL A 57 -5.359 -1.492 5.219 1.00 0.00 N ATOM 860 CA VAL A 57 -4.741 -0.342 4.500 1.00 0.00 C ATOM 861 C VAL A 57 -3.959 0.543 5.474 1.00 0.00 C ATOM 862 O VAL A 57 -4.272 0.623 6.645 1.00 0.00 O ATOM 863 CB VAL A 57 -5.916 0.431 3.900 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.385 1.555 3.010 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.776 -0.518 3.063 1.00 0.00 C ATOM 0 H VAL A 57 -6.132 -1.253 5.840 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.035 -0.670 3.737 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.519 0.856 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.222 2.106 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.771 2.231 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.782 1.130 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.614 0.032 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.173 -0.943 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.155 -1.320 3.696 1.00 0.00 H new ATOM 875 N LEU A 58 -2.943 1.209 4.995 1.00 0.00 N ATOM 876 CA LEU A 58 -2.138 2.093 5.889 1.00 0.00 C ATOM 877 C LEU A 58 -1.357 3.111 5.052 1.00 0.00 C ATOM 878 O LEU A 58 -0.841 2.794 3.998 1.00 0.00 O ATOM 879 CB LEU A 58 -1.183 1.153 6.624 1.00 0.00 C ATOM 880 CG LEU A 58 -1.104 1.556 8.098 1.00 0.00 C ATOM 881 CD1 LEU A 58 -2.386 1.127 8.813 1.00 0.00 C ATOM 882 CD2 LEU A 58 0.097 0.870 8.749 1.00 0.00 C ATOM 0 H LEU A 58 -2.635 1.180 4.023 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.760 2.659 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.530 0.123 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.193 1.196 6.171 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.990 2.637 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.330 1.414 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.243 1.615 8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.500 0.046 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.154 1.156 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.017 -0.211 8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.011 1.175 8.239 1.00 0.00 H new ATOM 894 N CYS A 59 -1.270 4.331 5.508 1.00 0.00 N ATOM 895 CA CYS A 59 -0.525 5.364 4.731 1.00 0.00 C ATOM 896 C CYS A 59 0.828 5.659 5.382 1.00 0.00 C ATOM 897 O CYS A 59 0.944 5.753 6.589 1.00 0.00 O ATOM 898 CB CYS A 59 -1.419 6.605 4.766 1.00 0.00 C ATOM 899 SG CYS A 59 -3.079 6.170 4.188 1.00 0.00 S ATOM 0 H CYS A 59 -1.681 4.657 6.383 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.315 5.037 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.468 7.003 5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.997 7.388 4.136 1.00 0.00 H new ATOM 904 N CYS A 60 1.854 5.810 4.587 1.00 0.00 N ATOM 905 CA CYS A 60 3.204 6.105 5.150 1.00 0.00 C ATOM 906 C CYS A 60 3.774 7.370 4.504 1.00 0.00 C ATOM 907 O CYS A 60 3.298 7.825 3.482 1.00 0.00 O ATOM 908 CB CYS A 60 4.064 4.898 4.781 1.00 0.00 C ATOM 909 SG CYS A 60 5.453 4.768 5.931 1.00 0.00 S ATOM 0 H CYS A 60 1.815 5.742 3.570 1.00 0.00 H new ATOM 0 HA CYS A 60 3.172 6.272 6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.465 3.988 4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.432 5.000 3.760 1.00 0.00 H new ATOM 914 N THR A 61 4.793 7.939 5.087 1.00 0.00 N ATOM 915 CA THR A 61 5.395 9.166 4.503 1.00 0.00 C ATOM 916 C THR A 61 6.813 9.372 5.045 1.00 0.00 C ATOM 917 O THR A 61 7.120 10.395 5.624 1.00 0.00 O ATOM 918 CB THR A 61 4.480 10.308 4.947 1.00 0.00 C ATOM 919 OG1 THR A 61 4.985 11.539 4.451 1.00 0.00 O ATOM 920 CG2 THR A 61 4.426 10.354 6.475 1.00 0.00 C ATOM 0 H THR A 61 5.234 7.605 5.944 1.00 0.00 H new ATOM 0 HA THR A 61 5.476 9.108 3.418 1.00 0.00 H new ATOM 0 HB THR A 61 3.476 10.144 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.892 11.682 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.774 11.168 6.792 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.037 9.409 6.854 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.429 10.518 6.870 1.00 0.00 H new ATOM 928 N THR A 62 7.682 8.412 4.866 1.00 0.00 N ATOM 929 CA THR A 62 9.073 8.572 5.381 1.00 0.00 C ATOM 930 C THR A 62 10.009 7.521 4.771 1.00 0.00 C ATOM 931 O THR A 62 10.172 6.440 5.301 1.00 0.00 O ATOM 932 CB THR A 62 8.959 8.369 6.892 1.00 0.00 C ATOM 933 OG1 THR A 62 8.197 9.428 7.455 1.00 0.00 O ATOM 934 CG2 THR A 62 10.357 8.358 7.513 1.00 0.00 C ATOM 0 H THR A 62 7.491 7.531 4.389 1.00 0.00 H new ATOM 0 HA THR A 62 9.490 9.545 5.123 1.00 0.00 H new ATOM 0 HB THR A 62 8.466 7.419 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.134 10.164 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.275 8.213 8.590 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.941 7.545 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.852 9.308 7.311 1.00 0.00 H new ATOM 942 N ASP A 63 10.637 7.839 3.672 1.00 0.00 N ATOM 943 CA ASP A 63 11.580 6.871 3.035 1.00 0.00 C ATOM 944 C ASP A 63 10.868 5.559 2.685 1.00 0.00 C ATOM 945 O ASP A 63 10.015 5.089 3.410 1.00 0.00 O ATOM 946 CB ASP A 63 12.661 6.625 4.086 1.00 0.00 C ATOM 947 CG ASP A 63 14.039 6.673 3.422 1.00 0.00 C ATOM 948 OD1 ASP A 63 14.152 6.198 2.303 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.957 7.183 4.044 1.00 0.00 O ATOM 0 H ASP A 63 10.538 8.730 3.185 1.00 0.00 H new ATOM 0 HA ASP A 63 11.988 7.259 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.598 7.378 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.508 5.656 4.561 1.00 0.00 H new ATOM 954 N ASP A 64 11.229 4.963 1.580 1.00 0.00 N ATOM 955 CA ASP A 64 10.593 3.669 1.168 1.00 0.00 C ATOM 956 C ASP A 64 9.067 3.806 1.039 1.00 0.00 C ATOM 957 O ASP A 64 8.536 3.822 -0.053 1.00 0.00 O ATOM 958 CB ASP A 64 10.946 2.687 2.285 1.00 0.00 C ATOM 959 CG ASP A 64 12.235 1.948 1.926 1.00 0.00 C ATOM 960 OD1 ASP A 64 12.168 1.042 1.111 1.00 0.00 O ATOM 961 OD2 ASP A 64 13.269 2.302 2.470 1.00 0.00 O ATOM 0 H ASP A 64 11.940 5.315 0.939 1.00 0.00 H new ATOM 0 HA ASP A 64 10.950 3.341 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.071 3.221 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.133 1.975 2.428 1.00 0.00 H new ATOM 966 N CYS A 65 8.353 3.903 2.134 1.00 0.00 N ATOM 967 CA CYS A 65 6.876 4.033 2.043 1.00 0.00 C ATOM 968 C CYS A 65 6.490 5.511 1.917 1.00 0.00 C ATOM 969 O CYS A 65 5.367 5.894 2.168 1.00 0.00 O ATOM 970 CB CYS A 65 6.363 3.443 3.357 1.00 0.00 C ATOM 971 SG CYS A 65 7.042 4.391 4.745 1.00 0.00 S ATOM 0 H CYS A 65 8.733 3.897 3.081 1.00 0.00 H new ATOM 0 HA CYS A 65 6.455 3.525 1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.274 3.471 3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.657 2.396 3.438 1.00 0.00 H new ATOM 976 N ASN A 66 7.418 6.344 1.527 1.00 0.00 N ATOM 977 CA ASN A 66 7.111 7.798 1.383 1.00 0.00 C ATOM 978 C ASN A 66 5.731 7.992 0.748 1.00 0.00 C ATOM 979 O ASN A 66 5.585 7.667 -0.418 1.00 0.00 O ATOM 980 CB ASN A 66 8.205 8.344 0.465 1.00 0.00 C ATOM 981 CG ASN A 66 9.271 9.049 1.306 1.00 0.00 C ATOM 982 OD1 ASN A 66 9.018 9.435 2.430 1.00 0.00 O ATOM 983 ND2 ASN A 66 10.462 9.236 0.804 1.00 0.00 N ATOM 984 OXT ASN A 66 4.843 8.462 1.441 1.00 0.00 O ATOM 0 H ASN A 66 8.377 6.080 1.301 1.00 0.00 H new ATOM 0 HA ASN A 66 7.090 8.311 2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.655 7.531 -0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.776 9.040 -0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.180 9.706 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.674 8.912 -0.140 1.00 0.00 H new TER 991 ASN A 66