USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 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 Single : A 1 MET CE :methyl -128:sc= -0.143 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ -144:sc= 0.44 (180deg=-0.253) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 146:sc= -0.662 (180deg=-1.82) USER MOD Single : A 7 ASN : amide:sc= -2.1! C(o=-2.1!,f=-4.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 129:sc= 1.42 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.162 (180deg=-1.87!) USER MOD Single : A 25 TYR OH : rot -175:sc= -3.73! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -15:sc= 0.975 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0616 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= -0.902! 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 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -5:sc= 1.03 USER MOD Single : A 66 ASN : amide:sc= -3.66! C(o=-3.7!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.751 10.220 0.798 1.00 0.00 N ATOM 2 CA MET A 1 10.591 10.747 0.020 1.00 0.00 C ATOM 3 C MET A 1 10.361 9.896 -1.231 1.00 0.00 C ATOM 4 O MET A 1 10.460 10.373 -2.343 1.00 0.00 O ATOM 5 CB MET A 1 10.989 12.172 -0.370 1.00 0.00 C ATOM 6 CG MET A 1 9.780 13.099 -0.218 1.00 0.00 C ATOM 7 SD MET A 1 10.133 14.345 1.046 1.00 0.00 S ATOM 8 CE MET A 1 9.441 13.441 2.453 1.00 0.00 C ATOM 0 H1 MET A 1 11.565 10.329 1.815 1.00 0.00 H new ATOM 0 H2 MET A 1 11.889 9.213 0.577 1.00 0.00 H new ATOM 0 H3 MET A 1 12.609 10.750 0.544 1.00 0.00 H new ATOM 0 HA MET A 1 9.665 10.724 0.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.808 12.518 0.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.349 12.192 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.557 13.583 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.898 12.522 0.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.735 14.080 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.926 12.550 2.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.245 13.149 3.129 1.00 0.00 H new ATOM 20 N LYS A 2 10.051 8.639 -1.057 1.00 0.00 N ATOM 21 CA LYS A 2 9.814 7.759 -2.237 1.00 0.00 C ATOM 22 C LYS A 2 8.734 6.725 -1.913 1.00 0.00 C ATOM 23 O LYS A 2 8.176 6.714 -0.834 1.00 0.00 O ATOM 24 CB LYS A 2 11.153 7.065 -2.495 1.00 0.00 C ATOM 25 CG LYS A 2 12.049 7.969 -3.345 1.00 0.00 C ATOM 26 CD LYS A 2 13.516 7.686 -3.018 1.00 0.00 C ATOM 27 CE LYS A 2 13.882 8.364 -1.695 1.00 0.00 C ATOM 28 NZ LYS A 2 15.363 8.522 -1.742 1.00 0.00 N ATOM 0 H LYS A 2 9.952 8.184 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 2 9.472 8.321 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.643 6.837 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.989 6.116 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.861 7.793 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.817 9.016 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.683 6.611 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.156 8.056 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.385 9.329 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.576 7.758 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.691 8.980 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.809 7.587 -1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.624 9.109 -2.560 1.00 0.00 H new ATOM 42 N CYS A 3 8.441 5.852 -2.835 1.00 0.00 N ATOM 43 CA CYS A 3 7.400 4.815 -2.576 1.00 0.00 C ATOM 44 C CYS A 3 7.693 3.559 -3.402 1.00 0.00 C ATOM 45 O CYS A 3 7.571 3.558 -4.610 1.00 0.00 O ATOM 46 CB CYS A 3 6.081 5.450 -3.022 1.00 0.00 C ATOM 47 SG CYS A 3 5.590 6.733 -1.842 1.00 0.00 S ATOM 0 H CYS A 3 8.876 5.810 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 3 7.372 4.513 -1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.192 5.881 -4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.304 4.688 -3.090 1.00 0.00 H new ATOM 52 N LYS A 4 8.078 2.490 -2.760 1.00 0.00 N ATOM 53 CA LYS A 4 8.376 1.237 -3.512 1.00 0.00 C ATOM 54 C LYS A 4 7.080 0.474 -3.801 1.00 0.00 C ATOM 55 O LYS A 4 6.361 0.089 -2.900 1.00 0.00 O ATOM 56 CB LYS A 4 9.281 0.424 -2.587 1.00 0.00 C ATOM 57 CG LYS A 4 9.772 -0.825 -3.323 1.00 0.00 C ATOM 58 CD LYS A 4 11.258 -1.042 -3.029 1.00 0.00 C ATOM 59 CE LYS A 4 11.530 -2.536 -2.837 1.00 0.00 C ATOM 60 NZ LYS A 4 10.944 -3.191 -4.038 1.00 0.00 N ATOM 0 H LYS A 4 8.199 2.429 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 4 8.850 1.435 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.130 1.028 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.737 0.138 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.197 -1.695 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.616 -0.712 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.862 -0.655 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.546 -0.491 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.599 -2.736 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.070 -2.907 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.521 -4.016 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.974 -3.500 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.927 -2.515 -4.829 1.00 0.00 H new ATOM 74 N ILE A 5 6.777 0.254 -5.051 1.00 0.00 N ATOM 75 CA ILE A 5 5.527 -0.482 -5.396 1.00 0.00 C ATOM 76 C ILE A 5 5.863 -1.883 -5.917 1.00 0.00 C ATOM 77 O ILE A 5 6.727 -2.054 -6.753 1.00 0.00 O ATOM 78 CB ILE A 5 4.864 0.355 -6.491 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.889 1.830 -6.086 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.416 -0.098 -6.675 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.043 2.029 -4.827 1.00 0.00 C ATOM 0 H ILE A 5 7.340 0.552 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 5 4.874 -0.614 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 5 5.406 0.224 -7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.915 2.150 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.503 2.447 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.944 0.499 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.397 -1.150 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.872 0.033 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.061 3.080 -4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.015 1.725 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.449 1.424 -4.017 1.00 0.00 H new ATOM 93 N CYS A 6 5.187 -2.885 -5.426 1.00 0.00 N ATOM 94 CA CYS A 6 5.468 -4.274 -5.891 1.00 0.00 C ATOM 95 C CYS A 6 4.160 -5.072 -5.973 1.00 0.00 C ATOM 96 O CYS A 6 3.082 -4.512 -5.959 1.00 0.00 O ATOM 97 CB CYS A 6 6.410 -4.857 -4.831 1.00 0.00 C ATOM 98 SG CYS A 6 5.468 -5.285 -3.342 1.00 0.00 S ATOM 0 H CYS A 6 4.452 -2.803 -4.723 1.00 0.00 H new ATOM 0 HA CYS A 6 5.914 -4.306 -6.885 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.910 -5.742 -5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.188 -4.134 -4.585 1.00 0.00 H new ATOM 103 N ASN A 7 4.240 -6.374 -6.057 1.00 0.00 N ATOM 104 CA ASN A 7 2.991 -7.188 -6.138 1.00 0.00 C ATOM 105 C ASN A 7 3.318 -8.685 -6.181 1.00 0.00 C ATOM 106 O ASN A 7 4.389 -9.109 -5.800 1.00 0.00 O ATOM 107 CB ASN A 7 2.318 -6.750 -7.439 1.00 0.00 C ATOM 108 CG ASN A 7 0.884 -6.307 -7.147 1.00 0.00 C ATOM 109 OD1 ASN A 7 0.515 -6.115 -6.005 1.00 0.00 O ATOM 110 ND2 ASN A 7 0.052 -6.135 -8.138 1.00 0.00 N ATOM 0 H ASN A 7 5.110 -6.906 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 7 2.349 -7.036 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.877 -5.932 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.317 -7.572 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.907 -5.840 -7.954 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.361 -6.296 -9.097 1.00 0.00 H new ATOM 117 N PHE A 8 2.390 -9.483 -6.644 1.00 0.00 N ATOM 118 CA PHE A 8 2.620 -10.959 -6.722 1.00 0.00 C ATOM 119 C PHE A 8 2.752 -11.559 -5.317 1.00 0.00 C ATOM 120 O PHE A 8 3.756 -12.155 -4.979 1.00 0.00 O ATOM 121 CB PHE A 8 3.927 -11.123 -7.502 1.00 0.00 C ATOM 122 CG PHE A 8 3.904 -10.231 -8.721 1.00 0.00 C ATOM 123 CD1 PHE A 8 3.224 -10.641 -9.874 1.00 0.00 C ATOM 124 CD2 PHE A 8 4.565 -8.997 -8.698 1.00 0.00 C ATOM 125 CE1 PHE A 8 3.205 -9.815 -11.005 1.00 0.00 C ATOM 126 CE2 PHE A 8 4.545 -8.172 -9.830 1.00 0.00 C ATOM 127 CZ PHE A 8 3.865 -8.581 -10.982 1.00 0.00 C ATOM 0 H PHE A 8 1.476 -9.174 -6.974 1.00 0.00 H new ATOM 0 HA PHE A 8 1.790 -11.474 -7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.776 -10.867 -6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.055 -12.163 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.715 -11.593 -9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.090 -8.681 -7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.681 -10.130 -11.895 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.055 -7.220 -9.813 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.849 -7.944 -11.854 1.00 0.00 H new ATOM 137 N ASP A 9 1.744 -11.412 -4.500 1.00 0.00 N ATOM 138 CA ASP A 9 1.791 -11.976 -3.111 1.00 0.00 C ATOM 139 C ASP A 9 2.777 -11.201 -2.223 1.00 0.00 C ATOM 140 O ASP A 9 2.487 -10.909 -1.078 1.00 0.00 O ATOM 141 CB ASP A 9 2.259 -13.423 -3.284 1.00 0.00 C ATOM 142 CG ASP A 9 1.821 -14.248 -2.073 1.00 0.00 C ATOM 143 OD1 ASP A 9 2.114 -13.835 -0.963 1.00 0.00 O ATOM 144 OD2 ASP A 9 1.203 -15.279 -2.276 1.00 0.00 O ATOM 0 H ASP A 9 0.881 -10.922 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 9 0.819 -11.907 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.839 -13.846 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.344 -13.456 -3.387 1.00 0.00 H new ATOM 149 N THR A 10 3.932 -10.862 -2.729 1.00 0.00 N ATOM 150 CA THR A 10 4.914 -10.108 -1.910 1.00 0.00 C ATOM 151 C THR A 10 5.431 -8.909 -2.710 1.00 0.00 C ATOM 152 O THR A 10 4.806 -7.870 -2.750 1.00 0.00 O ATOM 153 CB THR A 10 6.037 -11.107 -1.635 1.00 0.00 C ATOM 154 OG1 THR A 10 6.636 -11.501 -2.862 1.00 0.00 O ATOM 155 CG2 THR A 10 5.469 -12.337 -0.923 1.00 0.00 C ATOM 0 H THR A 10 4.235 -11.077 -3.679 1.00 0.00 H new ATOM 0 HA THR A 10 4.489 -9.717 -0.986 1.00 0.00 H new ATOM 0 HB THR A 10 6.789 -10.638 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.357 -12.140 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.272 -13.048 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.016 -12.034 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.714 -12.806 -1.554 1.00 0.00 H new ATOM 163 N CYS A 11 6.557 -9.048 -3.358 1.00 0.00 N ATOM 164 CA CYS A 11 7.096 -7.914 -4.165 1.00 0.00 C ATOM 165 C CYS A 11 7.989 -8.446 -5.290 1.00 0.00 C ATOM 166 O CYS A 11 9.197 -8.490 -5.167 1.00 0.00 O ATOM 167 CB CYS A 11 7.920 -7.073 -3.189 1.00 0.00 C ATOM 168 SG CYS A 11 6.819 -6.133 -2.100 1.00 0.00 S ATOM 0 H CYS A 11 7.126 -9.895 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 11 6.301 -7.331 -4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.567 -7.719 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.568 -6.392 -3.740 1.00 0.00 H new ATOM 173 N ARG A 12 7.405 -8.854 -6.383 1.00 0.00 N ATOM 174 CA ARG A 12 8.225 -9.383 -7.510 1.00 0.00 C ATOM 175 C ARG A 12 8.428 -8.301 -8.575 1.00 0.00 C ATOM 176 O ARG A 12 9.062 -8.524 -9.586 1.00 0.00 O ATOM 177 CB ARG A 12 7.412 -10.547 -8.077 1.00 0.00 C ATOM 178 CG ARG A 12 7.840 -11.848 -7.397 1.00 0.00 C ATOM 179 CD ARG A 12 8.615 -12.714 -8.391 1.00 0.00 C ATOM 180 NE ARG A 12 8.696 -14.056 -7.752 1.00 0.00 N ATOM 181 CZ ARG A 12 9.854 -14.643 -7.613 1.00 0.00 C ATOM 182 NH1 ARG A 12 10.811 -14.052 -6.951 1.00 0.00 N ATOM 183 NH2 ARG A 12 10.054 -15.821 -8.138 1.00 0.00 N ATOM 0 H ARG A 12 6.398 -8.844 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 12 9.217 -9.696 -7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.348 -10.373 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.564 -10.620 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.461 -11.629 -6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.964 -12.387 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.104 -12.765 -9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.608 -12.306 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 12 7.848 -14.517 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.655 -13.131 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.715 -14.511 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.306 -16.282 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.958 -16.281 -8.030 1.00 0.00 H new ATOM 197 N ALA A 13 7.894 -7.131 -8.355 1.00 0.00 N ATOM 198 CA ALA A 13 8.060 -6.039 -9.356 1.00 0.00 C ATOM 199 C ALA A 13 9.254 -5.157 -8.981 1.00 0.00 C ATOM 200 O ALA A 13 10.280 -5.177 -9.632 1.00 0.00 O ATOM 201 CB ALA A 13 6.758 -5.238 -9.290 1.00 0.00 C ATOM 0 H ALA A 13 7.351 -6.884 -7.528 1.00 0.00 H new ATOM 0 HA ALA A 13 8.251 -6.422 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.802 -4.413 -10.001 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.918 -5.887 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.625 -4.843 -8.283 1.00 0.00 H new ATOM 207 N GLY A 14 9.131 -4.386 -7.937 1.00 0.00 N ATOM 208 CA GLY A 14 10.259 -3.506 -7.524 1.00 0.00 C ATOM 209 C GLY A 14 10.138 -2.156 -8.233 1.00 0.00 C ATOM 210 O GLY A 14 11.119 -1.568 -8.642 1.00 0.00 O ATOM 0 H GLY A 14 8.298 -4.327 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.247 -3.364 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.211 -3.976 -7.773 1.00 0.00 H new ATOM 214 N GLU A 15 8.940 -1.662 -8.382 1.00 0.00 N ATOM 215 CA GLU A 15 8.752 -0.351 -9.067 1.00 0.00 C ATOM 216 C GLU A 15 8.542 0.761 -8.036 1.00 0.00 C ATOM 217 O GLU A 15 7.442 0.992 -7.574 1.00 0.00 O ATOM 218 CB GLU A 15 7.498 -0.529 -9.924 1.00 0.00 C ATOM 219 CG GLU A 15 7.513 0.486 -11.069 1.00 0.00 C ATOM 220 CD GLU A 15 8.290 -0.092 -12.252 1.00 0.00 C ATOM 221 OE1 GLU A 15 8.623 -1.265 -12.201 1.00 0.00 O ATOM 222 OE2 GLU A 15 8.539 0.647 -13.190 1.00 0.00 O ATOM 0 H GLU A 15 8.082 -2.109 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 15 9.619 -0.070 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.458 -1.543 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.605 -0.392 -9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.493 0.724 -11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.973 1.417 -10.738 1.00 0.00 H new ATOM 229 N LEU A 16 9.587 1.453 -7.673 1.00 0.00 N ATOM 230 CA LEU A 16 9.443 2.550 -6.674 1.00 0.00 C ATOM 231 C LEU A 16 9.361 3.903 -7.387 1.00 0.00 C ATOM 232 O LEU A 16 9.838 4.063 -8.494 1.00 0.00 O ATOM 233 CB LEU A 16 10.704 2.473 -5.813 1.00 0.00 C ATOM 234 CG LEU A 16 10.823 3.740 -4.965 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.395 3.384 -3.591 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.756 4.733 -5.661 1.00 0.00 C ATOM 0 H LEU A 16 10.533 1.307 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 16 8.537 2.449 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.664 1.594 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.584 2.364 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 16 9.837 4.189 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.480 4.287 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.733 2.676 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.381 2.935 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.841 5.637 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.741 4.283 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.351 4.988 -6.640 1.00 0.00 H new ATOM 248 N LYS A 17 8.762 4.877 -6.761 1.00 0.00 N ATOM 249 CA LYS A 17 8.649 6.217 -7.398 1.00 0.00 C ATOM 250 C LYS A 17 8.684 7.303 -6.322 1.00 0.00 C ATOM 251 O LYS A 17 9.251 7.121 -5.263 1.00 0.00 O ATOM 252 CB LYS A 17 7.296 6.207 -8.111 1.00 0.00 C ATOM 253 CG LYS A 17 7.421 6.921 -9.459 1.00 0.00 C ATOM 254 CD LYS A 17 6.758 6.076 -10.549 1.00 0.00 C ATOM 255 CE LYS A 17 7.665 4.896 -10.904 1.00 0.00 C ATOM 256 NZ LYS A 17 7.065 4.305 -12.132 1.00 0.00 N ATOM 0 H LYS A 17 8.345 4.802 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 17 9.466 6.422 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.960 5.181 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.545 6.701 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.949 7.902 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.471 7.085 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.790 5.713 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.573 6.685 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.689 5.225 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.702 4.168 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.632 3.489 -12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.093 3.995 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.050 5.018 -12.889 1.00 0.00 H new ATOM 270 N VAL A 18 8.082 8.429 -6.581 1.00 0.00 N ATOM 271 CA VAL A 18 8.084 9.520 -5.567 1.00 0.00 C ATOM 272 C VAL A 18 6.766 10.293 -5.612 1.00 0.00 C ATOM 273 O VAL A 18 6.243 10.593 -6.667 1.00 0.00 O ATOM 274 CB VAL A 18 9.251 10.421 -5.961 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.560 11.383 -4.816 1.00 0.00 C ATOM 276 CG2 VAL A 18 10.482 9.557 -6.248 1.00 0.00 C ATOM 0 H VAL A 18 7.590 8.641 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 18 8.188 9.139 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 18 8.989 10.991 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.393 12.027 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.682 11.995 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.825 10.814 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.318 10.197 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.744 8.990 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.261 8.868 -7.064 1.00 0.00 H new ATOM 286 N CYS A 19 6.224 10.618 -4.470 1.00 0.00 N ATOM 287 CA CYS A 19 4.938 11.372 -4.441 1.00 0.00 C ATOM 288 C CYS A 19 4.505 11.618 -2.994 1.00 0.00 C ATOM 289 O CYS A 19 3.331 11.669 -2.687 1.00 0.00 O ATOM 290 CB CYS A 19 3.932 10.468 -5.156 1.00 0.00 C ATOM 291 SG CYS A 19 3.951 8.827 -4.394 1.00 0.00 S ATOM 0 H CYS A 19 6.616 10.394 -3.555 1.00 0.00 H new ATOM 0 HA CYS A 19 5.019 12.348 -4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.932 10.898 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.182 10.393 -6.214 1.00 0.00 H new ATOM 296 N ALA A 20 5.446 11.770 -2.103 1.00 0.00 N ATOM 297 CA ALA A 20 5.088 12.011 -0.676 1.00 0.00 C ATOM 298 C ALA A 20 5.672 13.345 -0.203 1.00 0.00 C ATOM 299 O ALA A 20 6.492 13.393 0.692 1.00 0.00 O ATOM 300 CB ALA A 20 5.716 10.848 0.092 1.00 0.00 C ATOM 0 H ALA A 20 6.446 11.738 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 20 4.010 12.064 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.497 10.953 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.304 9.907 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.796 10.854 -0.058 1.00 0.00 H new ATOM 306 N SER A 21 5.254 14.430 -0.797 1.00 0.00 N ATOM 307 CA SER A 21 5.785 15.760 -0.380 1.00 0.00 C ATOM 308 C SER A 21 5.090 16.876 -1.164 1.00 0.00 C ATOM 309 O SER A 21 5.582 17.335 -2.176 1.00 0.00 O ATOM 310 CB SER A 21 7.276 15.717 -0.715 1.00 0.00 C ATOM 311 OG SER A 21 7.995 16.474 0.249 1.00 0.00 O ATOM 0 H SER A 21 4.569 14.453 -1.552 1.00 0.00 H new ATOM 0 HA SER A 21 5.612 15.960 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.629 14.686 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.448 16.120 -1.713 1.00 0.00 H new ATOM 0 HG SER A 21 8.736 15.937 0.600 1.00 0.00 H new ATOM 317 N GLY A 22 3.950 17.315 -0.706 1.00 0.00 N ATOM 318 CA GLY A 22 3.223 18.399 -1.425 1.00 0.00 C ATOM 319 C GLY A 22 1.874 18.645 -0.746 1.00 0.00 C ATOM 320 O GLY A 22 1.410 19.763 -0.651 1.00 0.00 O ATOM 0 H GLY A 22 3.490 16.969 0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.816 19.314 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.072 18.121 -2.468 1.00 0.00 H new ATOM 324 N GLU A 23 1.242 17.606 -0.272 1.00 0.00 N ATOM 325 CA GLU A 23 -0.078 17.778 0.401 1.00 0.00 C ATOM 326 C GLU A 23 -0.578 16.433 0.935 1.00 0.00 C ATOM 327 O GLU A 23 -1.048 16.333 2.051 1.00 0.00 O ATOM 328 CB GLU A 23 -1.013 18.302 -0.688 1.00 0.00 C ATOM 329 CG GLU A 23 -2.089 19.185 -0.054 1.00 0.00 C ATOM 330 CD GLU A 23 -3.458 18.525 -0.226 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.626 17.418 0.260 1.00 0.00 O ATOM 332 OE2 GLU A 23 -4.316 19.136 -0.842 1.00 0.00 O ATOM 0 H GLU A 23 1.582 16.646 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.022 18.457 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.447 18.872 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.476 17.469 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.875 19.333 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.087 20.170 -0.521 1.00 0.00 H new ATOM 339 N LYS A 24 -0.483 15.398 0.145 1.00 0.00 N ATOM 340 CA LYS A 24 -0.954 14.061 0.607 1.00 0.00 C ATOM 341 C LYS A 24 0.237 13.190 1.017 1.00 0.00 C ATOM 342 O LYS A 24 1.294 13.686 1.355 1.00 0.00 O ATOM 343 CB LYS A 24 -1.670 13.455 -0.601 1.00 0.00 C ATOM 344 CG LYS A 24 -0.648 13.124 -1.690 1.00 0.00 C ATOM 345 CD LYS A 24 -1.364 12.500 -2.889 1.00 0.00 C ATOM 346 CE LYS A 24 -0.791 13.079 -4.184 1.00 0.00 C ATOM 347 NZ LYS A 24 0.687 12.995 -4.020 1.00 0.00 N ATOM 0 H LYS A 24 -0.100 15.420 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.608 14.132 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.205 12.553 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.412 14.155 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.122 14.028 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.102 12.435 -1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.241 11.417 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.434 12.699 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.125 12.511 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.114 14.109 -4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.130 12.823 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.044 13.889 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.921 12.214 -3.374 1.00 0.00 H new ATOM 361 N TYR A 25 0.075 11.896 0.990 1.00 0.00 N ATOM 362 CA TYR A 25 1.197 10.995 1.381 1.00 0.00 C ATOM 363 C TYR A 25 1.084 9.656 0.645 1.00 0.00 C ATOM 364 O TYR A 25 0.243 9.477 -0.216 1.00 0.00 O ATOM 365 CB TYR A 25 1.036 10.794 2.888 1.00 0.00 C ATOM 366 CG TYR A 25 -0.396 10.426 3.195 1.00 0.00 C ATOM 367 CD1 TYR A 25 -0.871 9.145 2.888 1.00 0.00 C ATOM 368 CD2 TYR A 25 -1.248 11.365 3.789 1.00 0.00 C ATOM 369 CE1 TYR A 25 -2.198 8.804 3.174 1.00 0.00 C ATOM 370 CE2 TYR A 25 -2.576 11.023 4.074 1.00 0.00 C ATOM 371 CZ TYR A 25 -3.050 9.742 3.767 1.00 0.00 C ATOM 372 OH TYR A 25 -4.359 9.407 4.048 1.00 0.00 O ATOM 0 H TYR A 25 -0.786 11.423 0.714 1.00 0.00 H new ATOM 0 HA TYR A 25 2.171 11.414 1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.707 10.008 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.311 11.705 3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.214 8.420 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.881 12.353 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.564 7.816 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.234 11.747 4.531 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.833 10.196 4.384 1.00 0.00 H new ATOM 382 N CYS A 26 1.920 8.711 0.981 1.00 0.00 N ATOM 383 CA CYS A 26 1.854 7.384 0.302 1.00 0.00 C ATOM 384 C CYS A 26 1.082 6.394 1.177 1.00 0.00 C ATOM 385 O CYS A 26 1.100 6.484 2.389 1.00 0.00 O ATOM 386 CB CYS A 26 3.311 6.946 0.145 1.00 0.00 C ATOM 387 SG CYS A 26 3.611 6.424 -1.563 1.00 0.00 S ATOM 0 H CYS A 26 2.644 8.799 1.694 1.00 0.00 H new ATOM 0 HA CYS A 26 1.342 7.430 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.978 7.767 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.530 6.127 0.830 1.00 0.00 H new ATOM 392 N PHE A 27 0.398 5.455 0.582 1.00 0.00 N ATOM 393 CA PHE A 27 -0.372 4.477 1.403 1.00 0.00 C ATOM 394 C PHE A 27 -0.540 3.149 0.661 1.00 0.00 C ATOM 395 O PHE A 27 -0.808 3.113 -0.523 1.00 0.00 O ATOM 396 CB PHE A 27 -1.732 5.140 1.632 1.00 0.00 C ATOM 397 CG PHE A 27 -2.542 5.089 0.358 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.105 5.782 -0.778 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.730 4.350 0.314 1.00 0.00 C ATOM 400 CE1 PHE A 27 -2.856 5.733 -1.959 1.00 0.00 C ATOM 401 CE2 PHE A 27 -4.481 4.303 -0.866 1.00 0.00 C ATOM 402 CZ PHE A 27 -4.045 4.995 -2.002 1.00 0.00 C ATOM 0 H PHE A 27 0.339 5.323 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 27 0.137 4.243 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.266 4.631 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.595 6.175 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.189 6.354 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.067 3.816 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.518 6.264 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.397 3.733 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.626 4.960 -2.912 1.00 0.00 H new ATOM 412 N LYS A 28 -0.396 2.058 1.361 1.00 0.00 N ATOM 413 CA LYS A 28 -0.557 0.723 0.719 1.00 0.00 C ATOM 414 C LYS A 28 -1.818 0.048 1.261 1.00 0.00 C ATOM 415 O LYS A 28 -2.306 0.392 2.320 1.00 0.00 O ATOM 416 CB LYS A 28 0.691 -0.064 1.117 1.00 0.00 C ATOM 417 CG LYS A 28 0.655 -0.354 2.619 1.00 0.00 C ATOM 418 CD LYS A 28 1.834 -1.254 2.994 1.00 0.00 C ATOM 419 CE LYS A 28 1.332 -2.676 3.252 1.00 0.00 C ATOM 420 NZ LYS A 28 1.914 -3.058 4.569 1.00 0.00 N ATOM 0 H LYS A 28 -0.172 2.034 2.356 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.661 0.786 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.739 -0.998 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.587 0.504 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.703 0.579 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.285 -0.839 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.571 -1.258 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.332 -0.866 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.243 -2.712 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.655 -3.357 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.614 -4.023 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.952 -3.022 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.583 -2.396 5.300 1.00 0.00 H new ATOM 434 N GLU A 29 -2.356 -0.904 0.550 1.00 0.00 N ATOM 435 CA GLU A 29 -3.589 -1.584 1.039 1.00 0.00 C ATOM 436 C GLU A 29 -3.601 -3.054 0.612 1.00 0.00 C ATOM 437 O GLU A 29 -3.433 -3.377 -0.546 1.00 0.00 O ATOM 438 CB GLU A 29 -4.744 -0.830 0.381 1.00 0.00 C ATOM 439 CG GLU A 29 -4.642 -0.966 -1.140 1.00 0.00 C ATOM 440 CD GLU A 29 -5.153 0.314 -1.804 1.00 0.00 C ATOM 441 OE1 GLU A 29 -5.028 1.364 -1.196 1.00 0.00 O ATOM 442 OE2 GLU A 29 -5.659 0.223 -2.910 1.00 0.00 O ATOM 0 H GLU A 29 -1.998 -1.240 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.656 -1.573 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.697 -1.228 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.715 0.222 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.608 -1.151 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.226 -1.822 -1.479 1.00 0.00 H new ATOM 449 N SER A 30 -3.807 -3.947 1.543 1.00 0.00 N ATOM 450 CA SER A 30 -3.840 -5.396 1.193 1.00 0.00 C ATOM 451 C SER A 30 -5.233 -5.968 1.472 1.00 0.00 C ATOM 452 O SER A 30 -5.803 -5.751 2.521 1.00 0.00 O ATOM 453 CB SER A 30 -2.799 -6.048 2.101 1.00 0.00 C ATOM 454 OG SER A 30 -2.175 -7.120 1.406 1.00 0.00 O ATOM 0 H SER A 30 -3.954 -3.735 2.530 1.00 0.00 H new ATOM 0 HA SER A 30 -3.625 -5.575 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.053 -5.313 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.273 -6.416 3.011 1.00 0.00 H new ATOM 0 HG SER A 30 -2.709 -7.354 0.618 1.00 0.00 H new ATOM 460 N TRP A 31 -5.789 -6.693 0.540 1.00 0.00 N ATOM 461 CA TRP A 31 -7.148 -7.268 0.759 1.00 0.00 C ATOM 462 C TRP A 31 -7.047 -8.747 1.145 1.00 0.00 C ATOM 463 O TRP A 31 -6.270 -9.493 0.585 1.00 0.00 O ATOM 464 CB TRP A 31 -7.864 -7.113 -0.582 1.00 0.00 C ATOM 465 CG TRP A 31 -7.982 -5.662 -0.918 1.00 0.00 C ATOM 466 CD1 TRP A 31 -7.524 -5.088 -2.055 1.00 0.00 C ATOM 467 CD2 TRP A 31 -8.588 -4.591 -0.136 1.00 0.00 C ATOM 468 NE1 TRP A 31 -7.810 -3.735 -2.019 1.00 0.00 N ATOM 469 CE2 TRP A 31 -8.466 -3.381 -0.857 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.226 -4.555 1.118 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -8.959 -2.176 -0.353 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.723 -3.345 1.628 1.00 0.00 C ATOM 473 CH2 TRP A 31 -9.590 -2.158 0.894 1.00 0.00 C ATOM 0 H TRP A 31 -5.363 -6.912 -0.361 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.680 -6.767 1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.312 -7.635 -1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.853 -7.568 -0.533 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.018 -5.602 -2.859 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.566 -3.079 -2.761 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.334 -5.464 1.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.854 -1.264 -0.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -10.211 -3.329 2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.975 -1.231 1.292 1.00 0.00 H new ATOM 484 N ARG A 32 -7.831 -9.175 2.098 1.00 0.00 N ATOM 485 CA ARG A 32 -7.782 -10.605 2.518 1.00 0.00 C ATOM 486 C ARG A 32 -8.992 -11.359 1.962 1.00 0.00 C ATOM 487 O ARG A 32 -10.121 -11.089 2.319 1.00 0.00 O ATOM 488 CB ARG A 32 -7.826 -10.570 4.046 1.00 0.00 C ATOM 489 CG ARG A 32 -7.155 -11.825 4.604 1.00 0.00 C ATOM 490 CD ARG A 32 -7.377 -11.894 6.117 1.00 0.00 C ATOM 491 NE ARG A 32 -8.440 -12.920 6.303 1.00 0.00 N ATOM 492 CZ ARG A 32 -9.684 -12.554 6.439 1.00 0.00 C ATOM 493 NH1 ARG A 32 -10.049 -11.857 7.480 1.00 0.00 N ATOM 494 NH2 ARG A 32 -10.564 -12.883 5.533 1.00 0.00 N ATOM 0 H ARG A 32 -8.502 -8.597 2.603 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.893 -11.115 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.318 -9.679 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.859 -10.514 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.566 -12.713 4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.088 -11.808 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.462 -12.175 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.687 -10.928 6.515 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.195 -13.910 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.361 -11.598 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.022 -11.571 7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.279 -13.427 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.537 -12.597 5.640 1.00 0.00 H new ATOM 508 N GLU A 33 -8.766 -12.305 1.091 1.00 0.00 N ATOM 509 CA GLU A 33 -9.906 -13.075 0.516 1.00 0.00 C ATOM 510 C GLU A 33 -9.909 -14.504 1.064 1.00 0.00 C ATOM 511 O GLU A 33 -8.898 -15.011 1.506 1.00 0.00 O ATOM 512 CB GLU A 33 -9.661 -13.080 -0.993 1.00 0.00 C ATOM 513 CG GLU A 33 -10.953 -12.706 -1.720 1.00 0.00 C ATOM 514 CD GLU A 33 -11.809 -13.959 -1.916 1.00 0.00 C ATOM 515 OE1 GLU A 33 -11.240 -15.035 -1.995 1.00 0.00 O ATOM 516 OE2 GLU A 33 -13.020 -13.821 -1.981 1.00 0.00 O ATOM 0 H GLU A 33 -7.843 -12.578 0.753 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.870 -12.635 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.871 -12.373 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.322 -14.065 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.504 -11.962 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.722 -12.255 -2.685 1.00 0.00 H new ATOM 523 N ALA A 34 -11.039 -15.156 1.039 1.00 0.00 N ATOM 524 CA ALA A 34 -11.107 -16.552 1.561 1.00 0.00 C ATOM 525 C ALA A 34 -10.429 -17.517 0.584 1.00 0.00 C ATOM 526 O ALA A 34 -10.225 -18.677 0.884 1.00 0.00 O ATOM 527 CB ALA A 34 -12.600 -16.860 1.672 1.00 0.00 C ATOM 0 H ALA A 34 -11.918 -14.783 0.680 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.596 -16.661 2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.735 -17.873 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.068 -16.152 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.063 -16.775 0.689 1.00 0.00 H new ATOM 533 N ARG A 35 -10.078 -17.048 -0.581 1.00 0.00 N ATOM 534 CA ARG A 35 -9.412 -17.943 -1.573 1.00 0.00 C ATOM 535 C ARG A 35 -7.975 -17.480 -1.826 1.00 0.00 C ATOM 536 O ARG A 35 -7.244 -18.081 -2.587 1.00 0.00 O ATOM 537 CB ARG A 35 -10.250 -17.814 -2.847 1.00 0.00 C ATOM 538 CG ARG A 35 -9.878 -18.936 -3.818 1.00 0.00 C ATOM 539 CD ARG A 35 -10.040 -18.439 -5.257 1.00 0.00 C ATOM 540 NE ARG A 35 -8.649 -18.256 -5.757 1.00 0.00 N ATOM 541 CZ ARG A 35 -8.341 -17.196 -6.452 1.00 0.00 C ATOM 542 NH1 ARG A 35 -8.665 -17.125 -7.715 1.00 0.00 N ATOM 543 NH2 ARG A 35 -7.707 -16.205 -5.886 1.00 0.00 N ATOM 0 H ARG A 35 -10.222 -16.087 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.355 -18.974 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.311 -17.866 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.077 -16.844 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.850 -19.255 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.514 -19.805 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.587 -19.160 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.599 -17.504 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.938 -18.959 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.159 -17.899 -8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.424 -16.296 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.452 -16.259 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.466 -15.376 -6.430 1.00 0.00 H new ATOM 557 N GLY A 36 -7.565 -16.415 -1.193 1.00 0.00 N ATOM 558 CA GLY A 36 -6.176 -15.916 -1.398 1.00 0.00 C ATOM 559 C GLY A 36 -6.046 -14.507 -0.817 1.00 0.00 C ATOM 560 O GLY A 36 -6.899 -14.048 -0.084 1.00 0.00 O ATOM 0 H GLY A 36 -8.131 -15.869 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.463 -16.586 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.936 -15.906 -2.461 1.00 0.00 H new ATOM 564 N THR A 37 -4.986 -13.818 -1.138 1.00 0.00 N ATOM 565 CA THR A 37 -4.804 -12.439 -0.601 1.00 0.00 C ATOM 566 C THR A 37 -4.259 -11.513 -1.692 1.00 0.00 C ATOM 567 O THR A 37 -3.521 -11.930 -2.562 1.00 0.00 O ATOM 568 CB THR A 37 -3.792 -12.588 0.535 1.00 0.00 C ATOM 569 OG1 THR A 37 -3.896 -13.890 1.092 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.077 -11.544 1.616 1.00 0.00 C ATOM 0 H THR A 37 -4.239 -14.149 -1.748 1.00 0.00 H new ATOM 0 HA THR A 37 -5.741 -12.002 -0.256 1.00 0.00 H new ATOM 0 HB THR A 37 -2.785 -12.438 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.247 -13.987 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.355 -11.652 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.996 -10.545 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.084 -11.690 2.007 1.00 0.00 H new ATOM 578 N ARG A 38 -4.616 -10.259 -1.651 1.00 0.00 N ATOM 579 CA ARG A 38 -4.118 -9.306 -2.685 1.00 0.00 C ATOM 580 C ARG A 38 -3.390 -8.136 -2.019 1.00 0.00 C ATOM 581 O ARG A 38 -3.681 -7.771 -0.896 1.00 0.00 O ATOM 582 CB ARG A 38 -5.374 -8.818 -3.410 1.00 0.00 C ATOM 583 CG ARG A 38 -5.990 -9.976 -4.199 1.00 0.00 C ATOM 584 CD ARG A 38 -5.094 -10.318 -5.391 1.00 0.00 C ATOM 585 NE ARG A 38 -5.508 -11.688 -5.802 1.00 0.00 N ATOM 586 CZ ARG A 38 -4.644 -12.666 -5.777 1.00 0.00 C ATOM 587 NH1 ARG A 38 -4.114 -13.039 -4.644 1.00 0.00 N ATOM 588 NH2 ARG A 38 -4.311 -13.273 -6.883 1.00 0.00 N ATOM 0 H ARG A 38 -5.231 -9.852 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.408 -9.771 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.095 -8.430 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.123 -7.998 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.104 -10.848 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.987 -9.703 -4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.229 -9.604 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.040 -10.290 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.467 -11.862 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.375 -12.566 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.439 -13.803 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.726 -12.983 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.636 -14.037 -6.862 1.00 0.00 H new ATOM 602 N ILE A 39 -2.447 -7.545 -2.699 1.00 0.00 N ATOM 603 CA ILE A 39 -1.701 -6.400 -2.101 1.00 0.00 C ATOM 604 C ILE A 39 -1.462 -5.315 -3.155 1.00 0.00 C ATOM 605 O ILE A 39 -0.950 -5.577 -4.225 1.00 0.00 O ATOM 606 CB ILE A 39 -0.373 -6.994 -1.629 1.00 0.00 C ATOM 607 CG1 ILE A 39 0.319 -6.006 -0.686 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.528 -7.263 -2.836 1.00 0.00 C ATOM 609 CD1 ILE A 39 1.606 -6.631 -0.145 1.00 0.00 C ATOM 0 H ILE A 39 -2.160 -7.805 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.250 -5.932 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.561 -7.930 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.546 -5.081 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.346 -5.747 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.474 -7.686 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.036 -7.966 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.717 -6.328 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.098 -5.927 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.366 -7.544 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.272 -6.868 -0.975 1.00 0.00 H new ATOM 621 N GLU A 40 -1.829 -4.097 -2.861 1.00 0.00 N ATOM 622 CA GLU A 40 -1.621 -2.996 -3.846 1.00 0.00 C ATOM 623 C GLU A 40 -1.125 -1.734 -3.134 1.00 0.00 C ATOM 624 O GLU A 40 -1.402 -1.519 -1.971 1.00 0.00 O ATOM 625 CB GLU A 40 -2.998 -2.756 -4.466 1.00 0.00 C ATOM 626 CG GLU A 40 -2.947 -1.520 -5.366 1.00 0.00 C ATOM 627 CD GLU A 40 -4.365 -0.992 -5.590 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.259 -1.440 -4.894 1.00 0.00 O ATOM 629 OE2 GLU A 40 -4.531 -0.148 -6.456 1.00 0.00 O ATOM 0 H GLU A 40 -2.264 -3.816 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.873 -3.250 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.304 -3.627 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.742 -2.617 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.329 -0.748 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.486 -1.772 -6.321 1.00 0.00 H new ATOM 636 N ARG A 41 -0.395 -0.901 -3.822 1.00 0.00 N ATOM 637 CA ARG A 41 0.118 0.347 -3.182 1.00 0.00 C ATOM 638 C ARG A 41 -0.107 1.545 -4.109 1.00 0.00 C ATOM 639 O ARG A 41 -0.730 1.432 -5.145 1.00 0.00 O ATOM 640 CB ARG A 41 1.613 0.102 -2.976 1.00 0.00 C ATOM 641 CG ARG A 41 1.812 -0.983 -1.915 1.00 0.00 C ATOM 642 CD ARG A 41 3.117 -1.733 -2.191 1.00 0.00 C ATOM 643 NE ARG A 41 4.173 -0.932 -1.514 1.00 0.00 N ATOM 644 CZ ARG A 41 4.877 -1.461 -0.550 1.00 0.00 C ATOM 645 NH1 ARG A 41 5.268 -2.703 -0.633 1.00 0.00 N ATOM 646 NH2 ARG A 41 5.189 -0.747 0.497 1.00 0.00 N ATOM 0 H ARG A 41 -0.131 -1.028 -4.799 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.390 0.570 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.075 -0.204 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.104 1.024 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.841 -0.535 -0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.972 -1.677 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.079 -2.749 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.308 -1.813 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 41 4.347 0.031 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.024 -3.261 -1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.818 -3.116 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.883 0.224 0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.739 -1.160 1.250 1.00 0.00 H new ATOM 660 N GLY A 42 0.397 2.694 -3.745 1.00 0.00 N ATOM 661 CA GLY A 42 0.210 3.894 -4.609 1.00 0.00 C ATOM 662 C GLY A 42 0.462 5.163 -3.792 1.00 0.00 C ATOM 663 O GLY A 42 1.262 5.176 -2.877 1.00 0.00 O ATOM 0 H GLY A 42 0.929 2.853 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.894 3.854 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.801 3.907 -5.016 1.00 0.00 H new ATOM 667 N CYS A 43 -0.214 6.232 -4.117 1.00 0.00 N ATOM 668 CA CYS A 43 -0.014 7.503 -3.362 1.00 0.00 C ATOM 669 C CYS A 43 -1.342 8.255 -3.237 1.00 0.00 C ATOM 670 O CYS A 43 -2.023 8.496 -4.213 1.00 0.00 O ATOM 671 CB CYS A 43 0.979 8.309 -4.198 1.00 0.00 C ATOM 672 SG CYS A 43 2.358 8.839 -3.153 1.00 0.00 S ATOM 0 H CYS A 43 -0.897 6.280 -4.873 1.00 0.00 H new ATOM 0 HA CYS A 43 0.352 7.329 -2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.348 7.704 -5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.484 9.177 -4.633 1.00 0.00 H new ATOM 677 N ALA A 44 -1.716 8.629 -2.043 1.00 0.00 N ATOM 678 CA ALA A 44 -3.000 9.365 -1.865 1.00 0.00 C ATOM 679 C ALA A 44 -3.007 10.106 -0.526 1.00 0.00 C ATOM 680 O ALA A 44 -1.974 10.355 0.062 1.00 0.00 O ATOM 681 CB ALA A 44 -4.082 8.285 -1.886 1.00 0.00 C ATOM 0 H ALA A 44 -1.190 8.457 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.156 10.114 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.061 8.748 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.050 7.757 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.907 7.579 -1.074 1.00 0.00 H new ATOM 687 N ALA A 45 -4.166 10.457 -0.039 1.00 0.00 N ATOM 688 CA ALA A 45 -4.241 11.178 1.263 1.00 0.00 C ATOM 689 C ALA A 45 -5.466 10.709 2.052 1.00 0.00 C ATOM 690 O ALA A 45 -5.900 11.353 2.987 1.00 0.00 O ATOM 691 CB ALA A 45 -4.376 12.654 0.890 1.00 0.00 C ATOM 0 H ALA A 45 -5.064 10.275 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.368 10.995 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.437 13.254 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.508 12.963 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.280 12.798 0.298 1.00 0.00 H new ATOM 697 N THR A 46 -6.028 9.591 1.679 1.00 0.00 N ATOM 698 CA THR A 46 -7.227 9.078 2.401 1.00 0.00 C ATOM 699 C THR A 46 -6.813 8.050 3.460 1.00 0.00 C ATOM 700 O THR A 46 -7.176 8.156 4.615 1.00 0.00 O ATOM 701 CB THR A 46 -8.085 8.416 1.321 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.085 9.232 0.156 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.518 8.249 1.831 1.00 0.00 C ATOM 0 H THR A 46 -5.708 9.010 0.904 1.00 0.00 H new ATOM 0 HA THR A 46 -7.763 9.871 2.922 1.00 0.00 H new ATOM 0 HB THR A 46 -7.674 7.435 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.632 8.810 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.126 7.777 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.516 7.624 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.934 9.227 2.074 1.00 0.00 H new ATOM 711 N CYS A 47 -6.059 7.057 3.075 1.00 0.00 N ATOM 712 CA CYS A 47 -5.627 6.025 4.061 1.00 0.00 C ATOM 713 C CYS A 47 -6.832 5.521 4.859 1.00 0.00 C ATOM 714 O CYS A 47 -6.965 5.809 6.033 1.00 0.00 O ATOM 715 CB CYS A 47 -4.636 6.743 4.978 1.00 0.00 C ATOM 716 SG CYS A 47 -3.848 5.539 6.076 1.00 0.00 S ATOM 0 H CYS A 47 -5.724 6.915 2.122 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.179 5.155 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.881 7.257 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.152 7.503 5.565 1.00 0.00 H new ATOM 721 N PRO A 48 -7.674 4.784 4.188 1.00 0.00 N ATOM 722 CA PRO A 48 -8.889 4.230 4.833 1.00 0.00 C ATOM 723 C PRO A 48 -8.519 3.089 5.785 1.00 0.00 C ATOM 724 O PRO A 48 -7.359 2.781 5.980 1.00 0.00 O ATOM 725 CB PRO A 48 -9.713 3.710 3.658 1.00 0.00 C ATOM 726 CG PRO A 48 -8.716 3.439 2.575 1.00 0.00 C ATOM 727 CD PRO A 48 -7.572 4.400 2.776 1.00 0.00 C ATOM 0 HA PRO A 48 -9.426 4.964 5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.258 2.805 3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.452 4.444 3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.366 2.408 2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.167 3.577 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.613 3.930 2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.658 5.266 2.120 1.00 0.00 H new ATOM 735 N LYS A 49 -9.496 2.460 6.379 1.00 0.00 N ATOM 736 CA LYS A 49 -9.201 1.340 7.318 1.00 0.00 C ATOM 737 C LYS A 49 -10.031 0.108 6.951 1.00 0.00 C ATOM 738 O LYS A 49 -10.696 0.076 5.933 1.00 0.00 O ATOM 739 CB LYS A 49 -9.602 1.864 8.698 1.00 0.00 C ATOM 740 CG LYS A 49 -8.536 2.835 9.207 1.00 0.00 C ATOM 741 CD LYS A 49 -7.751 2.181 10.347 1.00 0.00 C ATOM 742 CE LYS A 49 -8.040 2.919 11.656 1.00 0.00 C ATOM 743 NZ LYS A 49 -7.127 4.095 11.643 1.00 0.00 N ATOM 0 H LYS A 49 -10.486 2.673 6.255 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.154 1.039 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.568 2.366 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.715 1.034 9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.861 3.108 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.004 3.756 9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.030 1.132 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.683 2.209 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.083 3.230 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.850 2.281 12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.266 4.652 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.141 3.768 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.336 4.687 10.814 1.00 0.00 H new ATOM 757 N GLY A 50 -10.000 -0.904 7.772 1.00 0.00 N ATOM 758 CA GLY A 50 -10.786 -2.133 7.473 1.00 0.00 C ATOM 759 C GLY A 50 -10.982 -2.938 8.759 1.00 0.00 C ATOM 760 O GLY A 50 -10.653 -2.490 9.839 1.00 0.00 O ATOM 0 H GLY A 50 -9.463 -0.933 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.753 -1.865 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.267 -2.737 6.729 1.00 0.00 H new ATOM 764 N SER A 51 -11.513 -4.125 8.653 1.00 0.00 N ATOM 765 CA SER A 51 -11.728 -4.956 9.872 1.00 0.00 C ATOM 766 C SER A 51 -12.490 -6.233 9.512 1.00 0.00 C ATOM 767 O SER A 51 -11.926 -7.307 9.444 1.00 0.00 O ATOM 768 CB SER A 51 -12.559 -4.081 10.809 1.00 0.00 C ATOM 769 OG SER A 51 -13.295 -3.138 10.041 1.00 0.00 O ATOM 0 H SER A 51 -11.807 -4.555 7.776 1.00 0.00 H new ATOM 0 HA SER A 51 -10.789 -5.265 10.332 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.239 -4.699 11.395 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.909 -3.564 11.515 1.00 0.00 H new ATOM 0 HG SER A 51 -13.831 -2.576 10.639 1.00 0.00 H new ATOM 775 N VAL A 52 -13.770 -6.126 9.281 1.00 0.00 N ATOM 776 CA VAL A 52 -14.566 -7.336 8.925 1.00 0.00 C ATOM 777 C VAL A 52 -13.972 -8.015 7.689 1.00 0.00 C ATOM 778 O VAL A 52 -13.506 -9.136 7.748 1.00 0.00 O ATOM 779 CB VAL A 52 -15.969 -6.811 8.625 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.828 -7.944 8.061 1.00 0.00 C ATOM 781 CG2 VAL A 52 -16.602 -6.285 9.915 1.00 0.00 C ATOM 0 H VAL A 52 -14.299 -5.255 9.323 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.570 -8.078 9.723 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.907 -6.004 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.829 -7.570 7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.377 -8.320 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.891 -8.751 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.603 -5.910 9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -16.664 -7.092 10.645 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.990 -5.478 10.318 1.00 0.00 H new ATOM 791 N TYR A 53 -13.984 -7.346 6.568 1.00 0.00 N ATOM 792 CA TYR A 53 -13.418 -7.956 5.330 1.00 0.00 C ATOM 793 C TYR A 53 -12.039 -8.552 5.619 1.00 0.00 C ATOM 794 O TYR A 53 -11.802 -9.725 5.410 1.00 0.00 O ATOM 795 CB TYR A 53 -13.300 -6.800 4.335 1.00 0.00 C ATOM 796 CG TYR A 53 -14.521 -6.764 3.449 1.00 0.00 C ATOM 797 CD1 TYR A 53 -15.769 -7.139 3.959 1.00 0.00 C ATOM 798 CD2 TYR A 53 -14.405 -6.351 2.116 1.00 0.00 C ATOM 799 CE1 TYR A 53 -16.901 -7.102 3.137 1.00 0.00 C ATOM 800 CE2 TYR A 53 -15.537 -6.315 1.293 1.00 0.00 C ATOM 801 CZ TYR A 53 -16.785 -6.690 1.803 1.00 0.00 C ATOM 802 OH TYR A 53 -17.901 -6.653 0.993 1.00 0.00 O ATOM 0 H TYR A 53 -14.361 -6.405 6.456 1.00 0.00 H new ATOM 0 HA TYR A 53 -14.042 -8.763 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.199 -5.856 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.402 -6.920 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -15.859 -7.457 4.987 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -13.442 -6.060 1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.864 -7.391 3.531 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.447 -5.998 0.265 1.00 0.00 H new ATOM 0 HH TYR A 53 -17.646 -6.344 0.099 1.00 0.00 H new ATOM 812 N GLY A 54 -11.126 -7.750 6.094 1.00 0.00 N ATOM 813 CA GLY A 54 -9.760 -8.267 6.392 1.00 0.00 C ATOM 814 C GLY A 54 -8.772 -7.686 5.381 1.00 0.00 C ATOM 815 O GLY A 54 -8.748 -8.075 4.231 1.00 0.00 O ATOM 0 H GLY A 54 -11.267 -6.759 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.467 -7.991 7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.751 -9.356 6.343 1.00 0.00 H new ATOM 819 N LEU A 55 -7.958 -6.755 5.797 1.00 0.00 N ATOM 820 CA LEU A 55 -6.977 -6.152 4.851 1.00 0.00 C ATOM 821 C LEU A 55 -5.804 -5.527 5.613 1.00 0.00 C ATOM 822 O LEU A 55 -5.749 -5.559 6.826 1.00 0.00 O ATOM 823 CB LEU A 55 -7.754 -5.082 4.062 1.00 0.00 C ATOM 824 CG LEU A 55 -8.651 -4.232 4.983 1.00 0.00 C ATOM 825 CD1 LEU A 55 -9.893 -5.028 5.387 1.00 0.00 C ATOM 826 CD2 LEU A 55 -7.880 -3.811 6.238 1.00 0.00 C ATOM 0 H LEU A 55 -7.930 -6.387 6.748 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.550 -6.902 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.051 -4.433 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.368 -5.565 3.302 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.957 -3.339 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.520 -4.418 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.455 -5.303 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.590 -5.931 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.527 -3.211 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.555 -4.699 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.009 -3.223 5.950 1.00 0.00 H new ATOM 838 N TYR A 56 -4.869 -4.956 4.905 1.00 0.00 N ATOM 839 CA TYR A 56 -3.700 -4.324 5.579 1.00 0.00 C ATOM 840 C TYR A 56 -3.381 -2.981 4.918 1.00 0.00 C ATOM 841 O TYR A 56 -2.731 -2.923 3.892 1.00 0.00 O ATOM 842 CB TYR A 56 -2.548 -5.310 5.378 1.00 0.00 C ATOM 843 CG TYR A 56 -1.771 -5.446 6.664 1.00 0.00 C ATOM 844 CD1 TYR A 56 -1.135 -4.329 7.219 1.00 0.00 C ATOM 845 CD2 TYR A 56 -1.684 -6.688 7.301 1.00 0.00 C ATOM 846 CE1 TYR A 56 -0.412 -4.455 8.412 1.00 0.00 C ATOM 847 CE2 TYR A 56 -0.962 -6.815 8.494 1.00 0.00 C ATOM 848 CZ TYR A 56 -0.327 -5.699 9.049 1.00 0.00 C ATOM 849 OH TYR A 56 0.386 -5.823 10.225 1.00 0.00 O ATOM 0 H TYR A 56 -4.864 -4.900 3.887 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.884 -4.125 6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.936 -6.281 5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.892 -4.962 4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.202 -3.370 6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.174 -7.550 6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.079 -3.594 8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.895 -7.774 8.986 1.00 0.00 H new ATOM 0 HH TYR A 56 0.344 -6.751 10.536 1.00 0.00 H new ATOM 859 N VAL A 57 -3.837 -1.902 5.493 1.00 0.00 N ATOM 860 CA VAL A 57 -3.560 -0.566 4.892 1.00 0.00 C ATOM 861 C VAL A 57 -2.529 0.192 5.732 1.00 0.00 C ATOM 862 O VAL A 57 -2.470 0.050 6.937 1.00 0.00 O ATOM 863 CB VAL A 57 -4.905 0.161 4.908 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.459 0.181 6.333 1.00 0.00 C ATOM 865 CG2 VAL A 57 -4.712 1.597 4.417 1.00 0.00 C ATOM 0 H VAL A 57 -4.388 -1.887 6.351 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.150 -0.644 3.885 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.606 -0.358 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.418 0.699 6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.596 -0.842 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.759 0.699 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.670 2.117 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.011 2.114 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.317 1.584 3.401 1.00 0.00 H new ATOM 875 N LEU A 58 -1.716 0.999 5.104 1.00 0.00 N ATOM 876 CA LEU A 58 -0.689 1.768 5.867 1.00 0.00 C ATOM 877 C LEU A 58 -0.256 3.001 5.070 1.00 0.00 C ATOM 878 O LEU A 58 0.128 2.905 3.921 1.00 0.00 O ATOM 879 CB LEU A 58 0.482 0.799 6.042 1.00 0.00 C ATOM 880 CG LEU A 58 1.242 1.141 7.324 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.840 -0.135 7.921 1.00 0.00 C ATOM 882 CD2 LEU A 58 2.367 2.127 7.002 1.00 0.00 C ATOM 0 H LEU A 58 -1.718 1.159 4.097 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.065 2.126 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.115 -0.226 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.150 0.861 5.183 1.00 0.00 H new ATOM 0 HG LEU A 58 0.557 1.591 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.382 0.110 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.040 -0.839 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.525 -0.586 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.909 2.371 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.051 1.676 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.943 3.037 6.577 1.00 0.00 H new ATOM 894 N CYS A 59 -0.318 4.162 5.666 1.00 0.00 N ATOM 895 CA CYS A 59 0.089 5.396 4.933 1.00 0.00 C ATOM 896 C CYS A 59 1.163 6.160 5.709 1.00 0.00 C ATOM 897 O CYS A 59 1.188 6.162 6.923 1.00 0.00 O ATOM 898 CB CYS A 59 -1.186 6.232 4.816 1.00 0.00 C ATOM 899 SG CYS A 59 -2.013 6.310 6.424 1.00 0.00 S ATOM 0 H CYS A 59 -0.632 4.309 6.625 1.00 0.00 H new ATOM 0 HA CYS A 59 0.517 5.164 3.958 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.943 7.237 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.853 5.794 4.074 1.00 0.00 H new ATOM 904 N CYS A 60 2.049 6.814 5.008 1.00 0.00 N ATOM 905 CA CYS A 60 3.124 7.588 5.690 1.00 0.00 C ATOM 906 C CYS A 60 3.582 8.745 4.796 1.00 0.00 C ATOM 907 O CYS A 60 3.336 8.758 3.604 1.00 0.00 O ATOM 908 CB CYS A 60 4.263 6.587 5.903 1.00 0.00 C ATOM 909 SG CYS A 60 5.594 7.376 6.842 1.00 0.00 S ATOM 0 H CYS A 60 2.074 6.845 3.989 1.00 0.00 H new ATOM 0 HA CYS A 60 2.789 8.024 6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.896 5.711 6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.639 6.238 4.941 1.00 0.00 H new ATOM 914 N THR A 61 4.247 9.715 5.362 1.00 0.00 N ATOM 915 CA THR A 61 4.721 10.866 4.556 1.00 0.00 C ATOM 916 C THR A 61 6.170 11.206 4.923 1.00 0.00 C ATOM 917 O THR A 61 6.439 12.194 5.576 1.00 0.00 O ATOM 918 CB THR A 61 3.788 12.022 4.922 1.00 0.00 C ATOM 919 OG1 THR A 61 4.192 13.193 4.225 1.00 0.00 O ATOM 920 CG2 THR A 61 3.852 12.273 6.429 1.00 0.00 C ATOM 0 H THR A 61 4.482 9.756 6.354 1.00 0.00 H new ATOM 0 HA THR A 61 4.704 10.655 3.487 1.00 0.00 H new ATOM 0 HB THR A 61 2.766 11.768 4.642 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.594 13.934 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.187 13.097 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.541 11.374 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.873 12.528 6.712 1.00 0.00 H new ATOM 928 N THR A 62 7.102 10.393 4.508 1.00 0.00 N ATOM 929 CA THR A 62 8.530 10.667 4.835 1.00 0.00 C ATOM 930 C THR A 62 9.445 9.851 3.918 1.00 0.00 C ATOM 931 O THR A 62 10.044 10.372 2.998 1.00 0.00 O ATOM 932 CB THR A 62 8.695 10.224 6.290 1.00 0.00 C ATOM 933 OG1 THR A 62 8.102 11.188 7.148 1.00 0.00 O ATOM 934 CG2 THR A 62 10.181 10.089 6.618 1.00 0.00 C ATOM 0 H THR A 62 6.937 9.551 3.957 1.00 0.00 H new ATOM 0 HA THR A 62 8.793 11.716 4.697 1.00 0.00 H new ATOM 0 HB THR A 62 8.205 9.261 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.799 11.955 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.298 9.773 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.633 9.347 5.960 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.674 11.050 6.474 1.00 0.00 H new ATOM 942 N ASP A 63 9.554 8.575 4.161 1.00 0.00 N ATOM 943 CA ASP A 63 10.427 7.721 3.306 1.00 0.00 C ATOM 944 C ASP A 63 10.191 6.243 3.627 1.00 0.00 C ATOM 945 O ASP A 63 10.032 5.865 4.771 1.00 0.00 O ATOM 946 CB ASP A 63 11.857 8.127 3.664 1.00 0.00 C ATOM 947 CG ASP A 63 12.844 7.182 2.977 1.00 0.00 C ATOM 948 OD1 ASP A 63 12.934 7.234 1.761 1.00 0.00 O ATOM 949 OD2 ASP A 63 13.492 6.422 3.678 1.00 0.00 O ATOM 0 H ASP A 63 9.075 8.085 4.917 1.00 0.00 H new ATOM 0 HA ASP A 63 10.223 7.854 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.043 9.154 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.996 8.092 4.745 1.00 0.00 H new ATOM 954 N ASP A 64 10.166 5.403 2.628 1.00 0.00 N ATOM 955 CA ASP A 64 9.938 3.946 2.883 1.00 0.00 C ATOM 956 C ASP A 64 8.568 3.711 3.543 1.00 0.00 C ATOM 957 O ASP A 64 7.656 3.215 2.911 1.00 0.00 O ATOM 958 CB ASP A 64 11.066 3.531 3.829 1.00 0.00 C ATOM 959 CG ASP A 64 12.003 2.558 3.111 1.00 0.00 C ATOM 960 OD1 ASP A 64 11.515 1.783 2.304 1.00 0.00 O ATOM 961 OD2 ASP A 64 13.192 2.605 3.378 1.00 0.00 O ATOM 0 H ASP A 64 10.293 5.658 1.649 1.00 0.00 H new ATOM 0 HA ASP A 64 9.939 3.367 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.620 4.410 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.652 3.062 4.722 1.00 0.00 H new ATOM 966 N CYS A 65 8.404 4.061 4.801 1.00 0.00 N ATOM 967 CA CYS A 65 7.083 3.849 5.460 1.00 0.00 C ATOM 968 C CYS A 65 5.961 4.260 4.505 1.00 0.00 C ATOM 969 O CYS A 65 4.859 3.751 4.563 1.00 0.00 O ATOM 970 CB CYS A 65 7.101 4.756 6.690 1.00 0.00 C ATOM 971 SG CYS A 65 7.274 6.480 6.168 1.00 0.00 S ATOM 0 H CYS A 65 9.124 4.480 5.390 1.00 0.00 H new ATOM 0 HA CYS A 65 6.913 2.807 5.731 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.182 4.629 7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.926 4.479 7.347 1.00 0.00 H new ATOM 976 N ASN A 66 6.244 5.174 3.619 1.00 0.00 N ATOM 977 CA ASN A 66 5.212 5.623 2.645 1.00 0.00 C ATOM 978 C ASN A 66 4.428 4.418 2.116 1.00 0.00 C ATOM 979 O ASN A 66 3.419 4.083 2.715 1.00 0.00 O ATOM 980 CB ASN A 66 6.008 6.284 1.519 1.00 0.00 C ATOM 981 CG ASN A 66 6.202 7.768 1.833 1.00 0.00 C ATOM 982 OD1 ASN A 66 5.253 8.525 1.864 1.00 0.00 O ATOM 983 ND2 ASN A 66 7.404 8.220 2.068 1.00 0.00 N ATOM 984 OXT ASN A 66 4.850 3.851 1.120 1.00 0.00 O ATOM 0 H ASN A 66 7.151 5.631 3.528 1.00 0.00 H new ATOM 0 HA ASN A 66 4.484 6.303 3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.976 5.795 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.482 6.168 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.545 9.208 2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.202 7.585 2.042 1.00 0.00 H new TER 991 ASN A 66