USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 521 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: B 27 MET CE :methyl -105:sc= -0.317 (180deg=-1.49!) USER MOD Set 1.2: B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -149:sc= -0.0997 (180deg=-0.452) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 167:sc= -0.636 (180deg=-0.157) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 0.00779 (180deg=-0.00805) USER MOD Set 3.2: A 10 THR OG1 : rot 76:sc= 0.23 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 86:sc= 0.622 USER MOD Single : A 29 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 138:sc= -0.3 (180deg=-1.89!) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= -2.61 (180deg=-4.06!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 126:sc= 0.0227 (180deg=-0.119) USER MOD Single : B 15 SER OG : rot 76:sc= 0.0893 USER MOD Single : B 16 MET CE :methyl 171:sc= -0.89 (180deg=-1.07) USER MOD Single : B 18 LYS NZ :NH3+ 169:sc= -0.0121 (180deg=-0.176) USER MOD Single : B 19 LYS NZ :NH3+ -109:sc= -3.91! (180deg=-5.52!) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -149:sc= -3.17 (180deg=-6.24!) USER MOD Single : B 31 LYS NZ :NH3+ -154:sc= -0.588 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.013 -13.449 1.773 1.00 0.00 N ATOM 27 CA ILE A 3 -1.289 -12.808 2.031 1.00 0.00 C ATOM 28 C ILE A 3 -2.377 -13.470 1.164 1.00 0.00 C ATOM 29 O ILE A 3 -2.216 -13.640 -0.044 1.00 0.00 O ATOM 30 CB ILE A 3 -1.179 -11.295 1.700 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.141 -10.601 2.619 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.554 -10.591 1.769 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.085 -9.106 2.304 1.00 0.00 C ATOM 0 HA ILE A 3 -1.562 -12.929 3.079 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.828 -11.209 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.468 -10.697 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.810 -11.126 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.434 -9.534 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.234 -11.050 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.965 -10.692 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.825 -8.697 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.444 -9.000 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.854 -8.564 2.417 1.00 0.00 H new ATOM 45 N PRO A 4 -3.516 -13.858 1.759 1.00 0.00 N ATOM 46 CA PRO A 4 -4.612 -14.543 1.053 1.00 0.00 C ATOM 47 C PRO A 4 -5.533 -13.583 0.288 1.00 0.00 C ATOM 48 O PRO A 4 -5.454 -12.356 0.362 1.00 0.00 O ATOM 49 CB PRO A 4 -5.380 -15.205 2.208 1.00 0.00 C ATOM 50 CG PRO A 4 -5.277 -14.163 3.311 1.00 0.00 C ATOM 51 CD PRO A 4 -3.822 -13.682 3.190 1.00 0.00 C ATOM 0 HA PRO A 4 -4.242 -15.229 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.416 -15.412 1.941 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.931 -16.154 2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.986 -13.348 3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.481 -14.591 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.717 -12.642 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.152 -14.269 3.818 1.00 0.00 H new ATOM 59 N LYS A 5 -6.458 -14.203 -0.453 1.00 0.00 N ATOM 60 CA LYS A 5 -7.475 -13.474 -1.232 1.00 0.00 C ATOM 61 C LYS A 5 -8.245 -12.468 -0.369 1.00 0.00 C ATOM 62 O LYS A 5 -8.361 -11.286 -0.684 1.00 0.00 O ATOM 63 CB LYS A 5 -8.462 -14.493 -1.848 1.00 0.00 C ATOM 64 CG LYS A 5 -9.631 -13.838 -2.619 1.00 0.00 C ATOM 65 CD LYS A 5 -10.601 -14.884 -3.202 1.00 0.00 C ATOM 66 CE LYS A 5 -11.825 -14.241 -3.888 1.00 0.00 C ATOM 67 NZ LYS A 5 -12.706 -15.297 -4.404 1.00 0.00 N ATOM 0 H LYS A 5 -6.526 -15.218 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.966 -12.912 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.916 -15.151 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.868 -15.118 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.176 -13.171 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.233 -13.224 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.069 -15.505 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.941 -15.543 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.366 -13.615 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.501 -13.593 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.531 -14.865 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.186 -15.876 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.025 -15.898 -3.617 1.00 0.00 H new ATOM 81 N LYS A 6 -8.767 -12.978 0.753 1.00 0.00 N ATOM 82 CA LYS A 6 -9.577 -12.179 1.696 1.00 0.00 C ATOM 83 C LYS A 6 -8.924 -10.830 2.017 1.00 0.00 C ATOM 84 O LYS A 6 -9.492 -9.756 1.820 1.00 0.00 O ATOM 85 CB LYS A 6 -9.777 -13.010 2.992 1.00 0.00 C ATOM 86 CG LYS A 6 -10.617 -12.336 4.108 1.00 0.00 C ATOM 87 CD LYS A 6 -9.885 -11.205 4.872 1.00 0.00 C ATOM 88 CE LYS A 6 -10.708 -10.635 6.040 1.00 0.00 C ATOM 89 NZ LYS A 6 -9.958 -9.534 6.666 1.00 0.00 N ATOM 0 H LYS A 6 -8.644 -13.950 1.037 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.539 -11.956 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.254 -13.953 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.796 -13.253 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.525 -11.928 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.926 -13.099 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.938 -11.587 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.646 -10.400 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.672 -10.276 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.911 -11.416 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.524 -9.122 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.063 -9.898 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.756 -8.803 5.955 1.00 0.00 H new ATOM 103 N ILE A 7 -7.686 -10.910 2.514 1.00 0.00 N ATOM 104 CA ILE A 7 -6.930 -9.707 2.906 1.00 0.00 C ATOM 105 C ILE A 7 -6.759 -8.728 1.736 1.00 0.00 C ATOM 106 O ILE A 7 -6.890 -7.515 1.882 1.00 0.00 O ATOM 107 CB ILE A 7 -5.558 -10.113 3.503 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.719 -10.963 4.790 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.638 -8.895 3.759 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.426 -10.222 5.947 1.00 0.00 C ATOM 0 H ILE A 7 -7.185 -11.787 2.655 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.505 -9.184 3.670 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.071 -10.732 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.284 -11.864 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.733 -11.285 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.691 -9.236 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.453 -8.375 2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.121 -8.216 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.500 -10.883 6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.851 -9.336 6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.426 -9.924 5.631 1.00 0.00 H new ATOM 122 N TRP A 8 -6.454 -9.273 0.554 1.00 0.00 N ATOM 123 CA TRP A 8 -6.331 -8.447 -0.665 1.00 0.00 C ATOM 124 C TRP A 8 -7.592 -7.622 -0.964 1.00 0.00 C ATOM 125 O TRP A 8 -7.538 -6.463 -1.378 1.00 0.00 O ATOM 126 CB TRP A 8 -5.949 -9.321 -1.882 1.00 0.00 C ATOM 127 CG TRP A 8 -4.505 -9.824 -1.747 1.00 0.00 C ATOM 128 CD1 TRP A 8 -4.065 -11.143 -1.935 1.00 0.00 C ATOM 129 CD2 TRP A 8 -3.342 -9.081 -1.452 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.721 -11.241 -1.759 1.00 0.00 N ATOM 131 CE2 TRP A 8 -2.254 -9.993 -1.466 1.00 0.00 C ATOM 132 CE3 TRP A 8 -3.104 -7.724 -1.206 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.963 -9.524 -1.215 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.807 -7.272 -0.956 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.741 -8.170 -0.960 1.00 0.00 C ATOM 0 H TRP A 8 -6.288 -10.269 0.409 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.531 -7.732 -0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.630 -10.168 -1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -6.055 -8.744 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.710 -11.972 -2.187 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -2.163 -12.092 -1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.926 -7.024 -1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.131 -10.213 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.629 -6.225 -0.759 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.261 -7.817 -0.765 1.00 0.00 H new ATOM 146 N GLU A 9 -8.756 -8.246 -0.751 1.00 0.00 N ATOM 147 CA GLU A 9 -10.045 -7.545 -0.921 1.00 0.00 C ATOM 148 C GLU A 9 -10.203 -6.405 0.095 1.00 0.00 C ATOM 149 O GLU A 9 -10.629 -5.289 -0.204 1.00 0.00 O ATOM 150 CB GLU A 9 -11.239 -8.521 -0.766 1.00 0.00 C ATOM 151 CG GLU A 9 -11.125 -9.831 -1.581 1.00 0.00 C ATOM 152 CD GLU A 9 -10.616 -9.564 -3.007 1.00 0.00 C ATOM 153 OE1 GLU A 9 -11.311 -8.893 -3.769 1.00 0.00 O ATOM 154 OE2 GLU A 9 -9.524 -10.027 -3.334 1.00 0.00 O ATOM 0 H GLU A 9 -8.838 -9.221 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.044 -7.129 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.346 -8.775 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.152 -8.004 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.448 -10.518 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.099 -10.319 -1.626 1.00 0.00 H new ATOM 161 N THR A 10 -9.853 -6.724 1.343 1.00 0.00 N ATOM 162 CA THR A 10 -9.970 -5.778 2.470 1.00 0.00 C ATOM 163 C THR A 10 -9.138 -4.502 2.248 1.00 0.00 C ATOM 164 O THR A 10 -9.582 -3.369 2.429 1.00 0.00 O ATOM 165 CB THR A 10 -9.515 -6.482 3.774 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.296 -7.665 3.975 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.663 -5.583 5.017 1.00 0.00 C ATOM 0 H THR A 10 -9.482 -7.637 1.606 1.00 0.00 H new ATOM 0 HA THR A 10 -11.014 -5.474 2.546 1.00 0.00 H new ATOM 0 HB THR A 10 -8.458 -6.721 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.989 -8.367 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.330 -6.127 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.056 -4.687 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.708 -5.299 5.138 1.00 0.00 H new ATOM 175 N VAL A 11 -7.883 -4.720 1.845 1.00 0.00 N ATOM 176 CA VAL A 11 -6.921 -3.623 1.640 1.00 0.00 C ATOM 177 C VAL A 11 -7.250 -2.748 0.423 1.00 0.00 C ATOM 178 O VAL A 11 -7.061 -1.535 0.447 1.00 0.00 O ATOM 179 CB VAL A 11 -5.468 -4.161 1.561 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.061 -4.890 2.862 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.209 -5.041 0.322 1.00 0.00 C ATOM 0 H VAL A 11 -7.505 -5.647 1.653 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.007 -2.977 2.514 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.831 -3.284 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.037 -5.253 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.127 -4.199 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.731 -5.733 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.174 -5.384 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.877 -5.902 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.393 -4.460 -0.582 1.00 0.00 H new ATOM 191 N CYS A 12 -7.768 -3.391 -0.638 1.00 0.00 N ATOM 192 CA CYS A 12 -8.059 -2.751 -1.945 1.00 0.00 C ATOM 193 C CYS A 12 -8.320 -1.230 -1.926 1.00 0.00 C ATOM 194 O CYS A 12 -7.563 -0.475 -2.531 1.00 0.00 O ATOM 195 CB CYS A 12 -9.267 -3.443 -2.616 1.00 0.00 C ATOM 196 SG CYS A 12 -8.865 -4.894 -3.621 1.00 0.00 S ATOM 0 H CYS A 12 -8.002 -4.384 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.134 -2.882 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.971 -3.743 -1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.778 -2.715 -3.246 1.00 0.00 H new ATOM 201 N PRO A 13 -9.365 -0.730 -1.247 1.00 0.00 N ATOM 202 CA PRO A 13 -9.719 0.704 -1.242 1.00 0.00 C ATOM 203 C PRO A 13 -8.659 1.600 -0.582 1.00 0.00 C ATOM 204 O PRO A 13 -8.263 2.650 -1.084 1.00 0.00 O ATOM 205 CB PRO A 13 -11.050 0.748 -0.469 1.00 0.00 C ATOM 206 CG PRO A 13 -10.959 -0.451 0.464 1.00 0.00 C ATOM 207 CD PRO A 13 -10.293 -1.517 -0.413 1.00 0.00 C ATOM 0 HA PRO A 13 -9.790 1.097 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.162 1.680 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.906 0.671 -1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.365 -0.229 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.942 -0.769 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.766 -2.260 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.023 -2.055 -1.019 1.00 0.00 H new ATOM 215 N THR A 14 -8.205 1.154 0.592 1.00 0.00 N ATOM 216 CA THR A 14 -7.209 1.895 1.390 1.00 0.00 C ATOM 217 C THR A 14 -5.877 2.070 0.637 1.00 0.00 C ATOM 218 O THR A 14 -5.267 3.140 0.588 1.00 0.00 O ATOM 219 CB THR A 14 -6.972 1.136 2.718 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.225 0.918 3.376 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.040 1.897 3.682 1.00 0.00 C ATOM 0 H THR A 14 -8.510 0.279 1.018 1.00 0.00 H new ATOM 0 HA THR A 14 -7.599 2.894 1.585 1.00 0.00 H new ATOM 0 HB THR A 14 -6.491 0.192 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.074 0.436 4.216 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.910 1.317 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.071 2.048 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.480 2.864 3.925 1.00 0.00 H new ATOM 229 N VAL A 15 -5.420 0.960 0.051 1.00 0.00 N ATOM 230 CA VAL A 15 -4.157 0.922 -0.710 1.00 0.00 C ATOM 231 C VAL A 15 -4.247 1.611 -2.081 1.00 0.00 C ATOM 232 O VAL A 15 -3.275 2.147 -2.610 1.00 0.00 O ATOM 233 CB VAL A 15 -3.661 -0.538 -0.869 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.489 -1.214 0.507 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.549 -1.390 -1.803 1.00 0.00 C ATOM 0 H VAL A 15 -5.908 0.065 0.087 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.433 1.491 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.687 -0.479 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.140 -2.237 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.760 -0.659 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.446 -1.224 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.144 -2.400 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.563 -1.431 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.568 -0.941 -2.796 1.00 0.00 H new ATOM 245 N GLU A 16 -5.456 1.574 -2.656 1.00 0.00 N ATOM 246 CA GLU A 16 -5.733 2.099 -4.011 1.00 0.00 C ATOM 247 C GLU A 16 -5.041 3.440 -4.330 1.00 0.00 C ATOM 248 O GLU A 16 -4.316 3.526 -5.320 1.00 0.00 O ATOM 249 CB GLU A 16 -7.261 2.239 -4.196 1.00 0.00 C ATOM 250 CG GLU A 16 -7.682 2.803 -5.573 1.00 0.00 C ATOM 251 CD GLU A 16 -9.211 2.916 -5.640 1.00 0.00 C ATOM 252 OE1 GLU A 16 -9.779 3.715 -4.896 1.00 0.00 O ATOM 253 OE2 GLU A 16 -9.819 2.202 -6.437 1.00 0.00 O ATOM 0 H GLU A 16 -6.277 1.179 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.313 1.378 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.724 1.262 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.653 2.889 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.228 3.781 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.321 2.152 -6.369 1.00 0.00 H new ATOM 260 N PRO A 17 -5.222 4.502 -3.532 1.00 0.00 N ATOM 261 CA PRO A 17 -4.613 5.821 -3.791 1.00 0.00 C ATOM 262 C PRO A 17 -3.079 5.793 -3.834 1.00 0.00 C ATOM 263 O PRO A 17 -2.429 6.393 -4.688 1.00 0.00 O ATOM 264 CB PRO A 17 -5.121 6.704 -2.638 1.00 0.00 C ATOM 265 CG PRO A 17 -5.420 5.708 -1.528 1.00 0.00 C ATOM 266 CD PRO A 17 -6.025 4.530 -2.297 1.00 0.00 C ATOM 0 HA PRO A 17 -4.895 6.192 -4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.371 7.433 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.011 7.264 -2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.519 5.420 -0.987 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.116 6.114 -0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.942 3.597 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.084 4.684 -2.506 1.00 0.00 H new ATOM 274 N TRP A 18 -2.495 5.076 -2.867 1.00 0.00 N ATOM 275 CA TRP A 18 -1.027 5.004 -2.750 1.00 0.00 C ATOM 276 C TRP A 18 -0.394 4.274 -3.941 1.00 0.00 C ATOM 277 O TRP A 18 0.391 4.825 -4.711 1.00 0.00 O ATOM 278 CB TRP A 18 -0.604 4.302 -1.439 1.00 0.00 C ATOM 279 CG TRP A 18 -1.292 4.938 -0.228 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.475 6.307 0.030 1.00 0.00 C ATOM 281 CD2 TRP A 18 -1.828 4.273 0.888 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.088 6.499 1.227 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.311 5.269 1.774 1.00 0.00 C ATOM 284 CE3 TRP A 18 -1.925 2.923 1.232 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -2.886 4.883 2.986 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.503 2.553 2.445 1.00 0.00 C ATOM 287 CH2 TRP A 18 -2.980 3.529 3.319 1.00 0.00 C ATOM 0 H TRP A 18 -3.004 4.543 -2.162 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.666 6.032 -2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.858 3.243 -1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.478 4.365 -1.321 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.169 7.101 -0.635 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.336 7.398 1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.552 2.166 0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.259 5.633 3.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.582 1.509 2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.425 3.237 4.259 1.00 0.00 H new ATOM 298 N ALA A 19 -0.775 3.002 -4.089 1.00 0.00 N ATOM 299 CA ALA A 19 -0.264 2.128 -5.167 1.00 0.00 C ATOM 300 C ALA A 19 -0.408 2.764 -6.558 1.00 0.00 C ATOM 301 O ALA A 19 0.481 2.721 -7.409 1.00 0.00 O ATOM 302 CB ALA A 19 -1.017 0.783 -5.126 1.00 0.00 C ATOM 0 H ALA A 19 -1.444 2.543 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 19 0.801 1.976 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.645 0.134 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.856 0.305 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.083 0.958 -5.271 1.00 0.00 H new ATOM 308 N LYS A 20 -1.586 3.360 -6.776 1.00 0.00 N ATOM 309 CA LYS A 20 -1.866 4.132 -8.001 1.00 0.00 C ATOM 310 C LYS A 20 -0.800 5.210 -8.243 1.00 0.00 C ATOM 311 O LYS A 20 -0.135 5.281 -9.276 1.00 0.00 O ATOM 312 CB LYS A 20 -3.255 4.799 -7.844 1.00 0.00 C ATOM 313 CG LYS A 20 -3.607 5.795 -8.972 1.00 0.00 C ATOM 314 CD LYS A 20 -4.956 6.498 -8.721 1.00 0.00 C ATOM 315 CE LYS A 20 -5.265 7.588 -9.768 1.00 0.00 C ATOM 316 NZ LYS A 20 -4.249 8.649 -9.692 1.00 0.00 N ATOM 0 H LYS A 20 -2.366 3.324 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.852 3.458 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.018 4.021 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.289 5.322 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.818 6.543 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.646 5.266 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.754 5.756 -8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.948 6.947 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.277 7.153 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.256 8.006 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.677 9.559 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.881 8.708 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.470 8.431 -10.345 1.00 0.00 H new ATOM 330 N LYS A 21 -0.663 6.077 -7.236 1.00 0.00 N ATOM 331 CA LYS A 21 0.309 7.183 -7.280 1.00 0.00 C ATOM 332 C LYS A 21 1.679 6.741 -6.741 1.00 0.00 C ATOM 333 O LYS A 21 2.262 7.294 -5.807 1.00 0.00 O ATOM 334 CB LYS A 21 -0.254 8.365 -6.462 1.00 0.00 C ATOM 335 CG LYS A 21 -1.600 8.876 -7.020 1.00 0.00 C ATOM 336 CD LYS A 21 -2.192 10.021 -6.174 1.00 0.00 C ATOM 337 CE LYS A 21 -3.552 10.518 -6.710 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.388 11.076 -8.061 1.00 0.00 N ATOM 0 H LYS A 21 -1.212 6.038 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 21 0.460 7.493 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.387 8.056 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.469 9.180 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.458 9.221 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.311 8.051 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.314 9.681 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.488 10.853 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.266 9.695 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.960 11.276 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.322 11.204 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.905 11.995 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.820 10.424 -8.639 1.00 0.00 H new ATOM 352 N CYS A 22 2.210 5.696 -7.380 1.00 0.00 N ATOM 353 CA CYS A 22 3.497 5.101 -6.970 1.00 0.00 C ATOM 354 C CYS A 22 4.054 4.218 -8.097 1.00 0.00 C ATOM 355 O CYS A 22 3.452 4.010 -9.151 1.00 0.00 O ATOM 356 CB CYS A 22 3.272 4.261 -5.689 1.00 0.00 C ATOM 357 SG CYS A 22 4.816 3.801 -4.872 1.00 0.00 S ATOM 0 H CYS A 22 1.775 5.241 -8.182 1.00 0.00 H new ATOM 0 HA CYS A 22 4.221 5.890 -6.767 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.653 4.827 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.719 3.357 -5.945 1.00 0.00 H new ATOM 362 N SER A 23 5.252 3.677 -7.851 1.00 0.00 N ATOM 363 CA SER A 23 5.957 2.866 -8.863 1.00 0.00 C ATOM 364 C SER A 23 6.934 1.865 -8.229 1.00 0.00 C ATOM 365 O SER A 23 7.112 1.760 -7.013 1.00 0.00 O ATOM 366 CB SER A 23 6.721 3.822 -9.811 1.00 0.00 C ATOM 367 OG SER A 23 7.676 4.590 -9.071 1.00 0.00 O ATOM 0 H SER A 23 5.754 3.782 -6.970 1.00 0.00 H new ATOM 0 HA SER A 23 5.219 2.283 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.227 3.249 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.018 4.487 -10.313 1.00 0.00 H new ATOM 0 HG SER A 23 8.155 5.190 -9.680 1.00 0.00 H new ATOM 373 N GLY A 24 7.588 1.106 -9.113 1.00 0.00 N ATOM 374 CA GLY A 24 8.544 0.068 -8.696 1.00 0.00 C ATOM 375 C GLY A 24 7.863 -1.271 -8.387 1.00 0.00 C ATOM 376 O GLY A 24 6.665 -1.487 -8.562 1.00 0.00 O ATOM 0 H GLY A 24 7.475 1.189 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.283 -0.078 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.083 0.410 -7.812 1.00 0.00 H new ATOM 380 N ASP A 25 8.695 -2.188 -7.892 1.00 0.00 N ATOM 381 CA ASP A 25 8.302 -3.595 -7.676 1.00 0.00 C ATOM 382 C ASP A 25 7.059 -3.758 -6.792 1.00 0.00 C ATOM 383 O ASP A 25 6.065 -4.389 -7.151 1.00 0.00 O ATOM 384 CB ASP A 25 9.483 -4.349 -7.024 1.00 0.00 C ATOM 385 CG ASP A 25 10.726 -4.280 -7.925 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.712 -4.871 -9.006 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.693 -3.626 -7.538 1.00 0.00 O ATOM 0 H ASP A 25 9.659 -1.985 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 25 8.050 -4.006 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.707 -3.914 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.208 -5.390 -6.852 1.00 0.00 H new ATOM 392 N ILE A 26 7.137 -3.166 -5.600 1.00 0.00 N ATOM 393 CA ILE A 26 6.079 -3.326 -4.584 1.00 0.00 C ATOM 394 C ILE A 26 4.765 -2.644 -4.995 1.00 0.00 C ATOM 395 O ILE A 26 3.670 -3.172 -4.813 1.00 0.00 O ATOM 396 CB ILE A 26 6.567 -2.790 -3.217 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.933 -3.402 -2.809 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.521 -3.037 -2.111 1.00 0.00 C ATOM 399 CD1 ILE A 26 7.918 -4.940 -2.667 1.00 0.00 C ATOM 0 H ILE A 26 7.914 -2.573 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 26 5.869 -4.392 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 26 6.702 -1.715 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.680 -3.124 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.247 -2.963 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.895 -2.649 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.591 -2.530 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.337 -4.107 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.910 -5.289 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.197 -5.228 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.637 -5.391 -3.619 1.00 0.00 H new ATOM 411 N ALA A 27 4.883 -1.428 -5.539 1.00 0.00 N ATOM 412 CA ALA A 27 3.706 -0.690 -6.043 1.00 0.00 C ATOM 413 C ALA A 27 2.905 -1.525 -7.052 1.00 0.00 C ATOM 414 O ALA A 27 1.686 -1.682 -6.985 1.00 0.00 O ATOM 415 CB ALA A 27 4.164 0.621 -6.716 1.00 0.00 C ATOM 0 H ALA A 27 5.769 -0.933 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 27 3.060 -0.471 -5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.294 1.163 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.693 1.238 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.829 0.390 -7.548 1.00 0.00 H new ATOM 421 N THR A 28 3.653 -2.077 -8.012 1.00 0.00 N ATOM 422 CA THR A 28 3.092 -2.969 -9.044 1.00 0.00 C ATOM 423 C THR A 28 2.432 -4.214 -8.431 1.00 0.00 C ATOM 424 O THR A 28 1.360 -4.661 -8.838 1.00 0.00 O ATOM 425 CB THR A 28 4.220 -3.391 -10.018 1.00 0.00 C ATOM 426 OG1 THR A 28 4.763 -2.223 -10.642 1.00 0.00 O ATOM 427 CG2 THR A 28 3.746 -4.363 -11.120 1.00 0.00 C ATOM 0 H THR A 28 4.657 -1.923 -8.100 1.00 0.00 H new ATOM 0 HA THR A 28 2.316 -2.423 -9.581 1.00 0.00 H new ATOM 0 HB THR A 28 4.969 -3.915 -9.424 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.456 -1.837 -10.067 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.586 -4.617 -11.767 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.354 -5.270 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.963 -3.888 -11.712 1.00 0.00 H new ATOM 435 N TYR A 29 3.111 -4.784 -7.429 1.00 0.00 N ATOM 436 CA TYR A 29 2.630 -6.008 -6.763 1.00 0.00 C ATOM 437 C TYR A 29 1.248 -5.811 -6.130 1.00 0.00 C ATOM 438 O TYR A 29 0.275 -6.487 -6.450 1.00 0.00 O ATOM 439 CB TYR A 29 3.634 -6.462 -5.679 1.00 0.00 C ATOM 440 CG TYR A 29 3.153 -7.683 -4.923 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.980 -8.898 -5.591 1.00 0.00 C ATOM 442 CD2 TYR A 29 2.844 -7.587 -3.563 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.493 -10.011 -4.905 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.354 -8.700 -2.877 1.00 0.00 C ATOM 445 CZ TYR A 29 2.174 -9.913 -3.548 1.00 0.00 C ATOM 446 OH TYR A 29 1.681 -11.011 -2.876 1.00 0.00 O ATOM 0 H TYR A 29 3.991 -4.423 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 29 2.544 -6.778 -7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.594 -6.682 -6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.801 -5.645 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.224 -8.976 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.984 -6.651 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.362 -10.949 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.114 -8.624 -1.827 1.00 0.00 H new ATOM 0 HH TYR A 29 1.735 -10.855 -1.910 1.00 0.00 H new ATOM 456 N ILE A 30 1.176 -4.847 -5.209 1.00 0.00 N ATOM 457 CA ILE A 30 -0.072 -4.513 -4.491 1.00 0.00 C ATOM 458 C ILE A 30 -1.242 -4.286 -5.461 1.00 0.00 C ATOM 459 O ILE A 30 -2.355 -4.790 -5.301 1.00 0.00 O ATOM 460 CB ILE A 30 0.179 -3.242 -3.635 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.269 -3.501 -2.566 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.122 -2.716 -2.980 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.774 -2.206 -1.896 1.00 0.00 C ATOM 0 H ILE A 30 1.974 -4.274 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.349 -5.351 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 30 0.537 -2.465 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.870 -4.167 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.110 -4.016 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.899 -1.826 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.845 -2.465 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.539 -3.486 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.536 -2.452 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.201 -1.548 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.942 -1.702 -1.405 1.00 0.00 H new ATOM 475 N LYS A 31 -0.950 -3.498 -6.499 1.00 0.00 N ATOM 476 CA LYS A 31 -1.926 -3.194 -7.562 1.00 0.00 C ATOM 477 C LYS A 31 -2.475 -4.471 -8.216 1.00 0.00 C ATOM 478 O LYS A 31 -3.667 -4.632 -8.482 1.00 0.00 O ATOM 479 CB LYS A 31 -1.234 -2.312 -8.628 1.00 0.00 C ATOM 480 CG LYS A 31 -2.204 -1.726 -9.680 1.00 0.00 C ATOM 481 CD LYS A 31 -3.251 -0.758 -9.080 1.00 0.00 C ATOM 482 CE LYS A 31 -2.616 0.480 -8.407 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.670 1.330 -7.838 1.00 0.00 N ATOM 0 H LYS A 31 -0.041 -3.054 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.772 -2.668 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.717 -1.493 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.474 -2.904 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.628 -1.200 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.722 -2.544 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.927 -0.429 -9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.854 -1.294 -8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.926 0.166 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.035 1.044 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.373 1.671 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.837 2.142 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.547 0.779 -7.744 1.00 0.00 H new ATOM 497 N ARG A 32 -1.553 -5.400 -8.487 1.00 0.00 N ATOM 498 CA ARG A 32 -1.889 -6.698 -9.100 1.00 0.00 C ATOM 499 C ARG A 32 -2.801 -7.551 -8.206 1.00 0.00 C ATOM 500 O ARG A 32 -3.828 -8.081 -8.623 1.00 0.00 O ATOM 501 CB ARG A 32 -0.587 -7.476 -9.404 1.00 0.00 C ATOM 502 CG ARG A 32 -0.843 -8.835 -10.088 1.00 0.00 C ATOM 503 CD ARG A 32 0.455 -9.631 -10.319 1.00 0.00 C ATOM 504 NE ARG A 32 0.132 -10.903 -10.988 1.00 0.00 N ATOM 505 CZ ARG A 32 1.043 -11.863 -11.152 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.295 -11.713 -10.721 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.695 -12.994 -11.759 1.00 0.00 N ATOM 0 H ARG A 32 -0.559 -5.280 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.436 -6.494 -10.021 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.052 -6.868 -10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.043 -7.640 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.523 -9.425 -9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.339 -8.669 -11.044 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.147 -9.051 -10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.952 -9.823 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.815 -11.054 -11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.574 -10.850 -10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.975 -12.461 -10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.260 -13.120 -12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.383 -13.735 -11.890 1.00 0.00 H new ATOM 521 N GLU A 33 -2.408 -7.682 -6.935 1.00 0.00 N ATOM 522 CA GLU A 33 -3.121 -8.554 -5.982 1.00 0.00 C ATOM 523 C GLU A 33 -4.603 -8.180 -5.842 1.00 0.00 C ATOM 524 O GLU A 33 -5.512 -9.002 -5.968 1.00 0.00 O ATOM 525 CB GLU A 33 -2.436 -8.494 -4.599 1.00 0.00 C ATOM 526 CG GLU A 33 -0.955 -8.939 -4.625 1.00 0.00 C ATOM 527 CD GLU A 33 -0.831 -10.383 -5.131 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.206 -11.298 -4.401 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.372 -10.571 -6.257 1.00 0.00 O ATOM 0 H GLU A 33 -1.602 -7.198 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.076 -9.569 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.494 -7.475 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.985 -9.127 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.381 -8.272 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.529 -8.861 -3.625 1.00 0.00 H new ATOM 536 N CYS A 34 -4.833 -6.892 -5.573 1.00 0.00 N ATOM 537 CA CYS A 34 -6.204 -6.355 -5.482 1.00 0.00 C ATOM 538 C CYS A 34 -6.952 -6.460 -6.822 1.00 0.00 C ATOM 539 O CYS A 34 -7.988 -7.115 -6.961 1.00 0.00 O ATOM 540 CB CYS A 34 -6.157 -4.874 -5.038 1.00 0.00 C ATOM 541 SG CYS A 34 -7.797 -4.115 -5.149 1.00 0.00 S ATOM 0 H CYS A 34 -4.098 -6.202 -5.415 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.743 -6.953 -4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.790 -4.809 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.454 -4.324 -5.664 1.00 0.00 H new ATOM 546 N GLY A 35 -6.387 -5.792 -7.833 1.00 0.00 N ATOM 547 CA GLY A 35 -7.027 -5.674 -9.158 1.00 0.00 C ATOM 548 C GLY A 35 -7.164 -7.022 -9.870 1.00 0.00 C ATOM 549 O GLY A 35 -8.251 -7.554 -10.093 1.00 0.00 O ATOM 0 H GLY A 35 -5.485 -5.321 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.014 -5.227 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.442 -4.997 -9.780 1.00 0.00 H new ATOM 553 N LYS A 36 -6.004 -7.567 -10.250 1.00 0.00 N ATOM 554 CA LYS A 36 -5.929 -8.909 -10.856 1.00 0.00 C ATOM 555 C LYS A 36 -6.084 -9.978 -9.760 1.00 0.00 C ATOM 556 O LYS A 36 -5.138 -10.524 -9.193 1.00 0.00 O ATOM 557 CB LYS A 36 -4.585 -9.056 -11.618 1.00 0.00 C ATOM 558 CG LYS A 36 -4.566 -10.200 -12.664 1.00 0.00 C ATOM 559 CD LYS A 36 -4.565 -11.655 -12.129 1.00 0.00 C ATOM 560 CE LYS A 36 -3.198 -12.155 -11.606 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.770 -11.403 -10.419 1.00 0.00 N ATOM 0 H LYS A 36 -5.101 -7.103 -10.150 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.739 -9.046 -11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.362 -8.115 -12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.788 -9.228 -10.895 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.435 -10.079 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.683 -10.070 -13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.296 -11.731 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.898 -12.320 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.266 -13.215 -11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.448 -12.056 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.120 -11.986 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.285 -10.532 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.602 -11.157 -9.845 1.00 0.00 H new ATOM 666 N VAL B 5 -5.146 -7.105 11.013 1.00 0.00 N ATOM 667 CA VAL B 5 -5.125 -6.826 9.561 1.00 0.00 C ATOM 668 C VAL B 5 -4.187 -5.668 9.187 1.00 0.00 C ATOM 669 O VAL B 5 -3.393 -5.733 8.250 1.00 0.00 O ATOM 670 CB VAL B 5 -6.566 -6.531 9.068 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.610 -6.169 7.565 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.514 -7.718 9.351 1.00 0.00 C ATOM 0 HA VAL B 5 -4.734 -7.715 9.066 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.910 -5.664 9.632 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.640 -5.971 7.268 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.004 -5.281 7.387 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.217 -7.000 6.979 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.515 -7.478 8.993 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.148 -8.606 8.836 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.548 -7.908 10.424 1.00 0.00 H new ATOM 682 N LYS B 6 -4.306 -4.577 9.949 1.00 0.00 N ATOM 683 CA LYS B 6 -3.467 -3.378 9.758 1.00 0.00 C ATOM 684 C LYS B 6 -1.968 -3.720 9.759 1.00 0.00 C ATOM 685 O LYS B 6 -1.193 -3.332 8.887 1.00 0.00 O ATOM 686 CB LYS B 6 -3.778 -2.382 10.896 1.00 0.00 C ATOM 687 CG LYS B 6 -3.018 -1.045 10.798 1.00 0.00 C ATOM 688 CD LYS B 6 -3.356 -0.100 11.972 1.00 0.00 C ATOM 689 CE LYS B 6 -4.829 0.352 12.001 1.00 0.00 C ATOM 690 NZ LYS B 6 -5.016 1.290 13.117 1.00 0.00 N ATOM 0 H LYS B 6 -4.979 -4.494 10.711 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.697 -2.941 8.786 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.849 -2.178 10.901 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.539 -2.853 11.850 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.945 -1.238 10.785 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.265 -0.556 9.856 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -3.121 -0.603 12.910 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -2.716 0.781 11.913 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -5.096 0.830 11.058 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -5.486 -0.510 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -6.008 1.602 13.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.775 0.818 14.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.397 2.115 12.984 1.00 0.00 H new ATOM 704 N LEU B 7 -1.571 -4.474 10.786 1.00 0.00 N ATOM 705 CA LEU B 7 -0.174 -4.924 10.945 1.00 0.00 C ATOM 706 C LEU B 7 0.311 -5.812 9.788 1.00 0.00 C ATOM 707 O LEU B 7 1.462 -5.769 9.357 1.00 0.00 O ATOM 708 CB LEU B 7 -0.034 -5.689 12.280 1.00 0.00 C ATOM 709 CG LEU B 7 -0.337 -4.815 13.522 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.358 -5.670 14.806 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.655 -3.642 13.664 1.00 0.00 C ATOM 0 H LEU B 7 -2.196 -4.791 11.527 1.00 0.00 H new ATOM 0 HA LEU B 7 0.453 -4.032 10.941 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.709 -6.545 12.273 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.979 -6.083 12.360 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.328 -4.385 13.375 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.573 -5.033 15.664 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.129 -6.436 14.721 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.613 -6.146 14.942 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.403 -3.057 14.549 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.668 -4.032 13.763 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.596 -3.007 12.780 1.00 0.00 H new ATOM 723 N THR B 8 -0.601 -6.657 9.292 1.00 0.00 N ATOM 724 CA THR B 8 -0.288 -7.574 8.176 1.00 0.00 C ATOM 725 C THR B 8 0.148 -6.808 6.917 1.00 0.00 C ATOM 726 O THR B 8 1.180 -7.067 6.296 1.00 0.00 O ATOM 727 CB THR B 8 -1.527 -8.448 7.856 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.914 -9.172 9.026 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.276 -9.457 6.712 1.00 0.00 C ATOM 0 H THR B 8 -1.557 -6.729 9.639 1.00 0.00 H new ATOM 0 HA THR B 8 0.543 -8.208 8.485 1.00 0.00 H new ATOM 0 HB THR B 8 -2.315 -7.769 7.531 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.699 -9.724 8.825 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.180 -10.039 6.535 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.008 -8.918 5.803 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.462 -10.127 6.990 1.00 0.00 H new ATOM 737 N ILE B 9 -0.687 -5.838 6.540 1.00 0.00 N ATOM 738 CA ILE B 9 -0.458 -5.033 5.326 1.00 0.00 C ATOM 739 C ILE B 9 0.666 -3.989 5.488 1.00 0.00 C ATOM 740 O ILE B 9 1.347 -3.620 4.532 1.00 0.00 O ATOM 741 CB ILE B 9 -1.790 -4.379 4.872 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.674 -3.660 3.507 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.368 -3.418 5.931 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.244 -4.584 2.348 1.00 0.00 C ATOM 0 H ILE B 9 -1.531 -5.586 7.055 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.109 -5.710 4.547 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.486 -5.209 4.751 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.636 -3.210 3.262 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.954 -2.846 3.596 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.299 -2.988 5.563 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.561 -3.966 6.853 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.652 -2.619 6.127 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.185 -4.007 1.425 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.268 -5.015 2.569 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.975 -5.384 2.230 1.00 0.00 H new ATOM 756 N CYS B 10 0.855 -3.519 6.732 1.00 0.00 N ATOM 757 CA CYS B 10 1.861 -2.482 7.066 1.00 0.00 C ATOM 758 C CYS B 10 3.189 -2.599 6.295 1.00 0.00 C ATOM 759 O CYS B 10 3.499 -1.732 5.482 1.00 0.00 O ATOM 760 CB CYS B 10 2.178 -2.517 8.582 1.00 0.00 C ATOM 761 SG CYS B 10 1.108 -1.513 9.642 1.00 0.00 S ATOM 0 H CYS B 10 0.319 -3.843 7.537 1.00 0.00 H new ATOM 0 HA CYS B 10 1.402 -1.539 6.767 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.123 -3.552 8.920 1.00 0.00 H new ATOM 0 HB3 CYS B 10 3.208 -2.189 8.725 1.00 0.00 H new ATOM 766 N PRO B 11 3.982 -3.668 6.484 1.00 0.00 N ATOM 767 CA PRO B 11 5.347 -3.787 5.928 1.00 0.00 C ATOM 768 C PRO B 11 5.401 -3.658 4.402 1.00 0.00 C ATOM 769 O PRO B 11 6.274 -3.016 3.817 1.00 0.00 O ATOM 770 CB PRO B 11 5.819 -5.178 6.390 1.00 0.00 C ATOM 771 CG PRO B 11 4.522 -5.952 6.577 1.00 0.00 C ATOM 772 CD PRO B 11 3.593 -4.900 7.191 1.00 0.00 C ATOM 0 HA PRO B 11 5.985 -2.976 6.279 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.464 -5.649 5.648 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.389 -5.120 7.317 1.00 0.00 H new ATOM 0 HG2 PRO B 11 4.136 -6.331 5.631 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.653 -6.811 7.235 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.543 -5.144 7.030 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.738 -4.811 8.268 1.00 0.00 H new ATOM 780 N THR B 12 4.429 -4.306 3.755 1.00 0.00 N ATOM 781 CA THR B 12 4.285 -4.245 2.289 1.00 0.00 C ATOM 782 C THR B 12 4.184 -2.786 1.812 1.00 0.00 C ATOM 783 O THR B 12 4.896 -2.316 0.922 1.00 0.00 O ATOM 784 CB THR B 12 3.018 -5.030 1.869 1.00 0.00 C ATOM 785 OG1 THR B 12 3.086 -6.360 2.396 1.00 0.00 O ATOM 786 CG2 THR B 12 2.851 -5.122 0.338 1.00 0.00 C ATOM 0 H THR B 12 3.726 -4.881 4.220 1.00 0.00 H new ATOM 0 HA THR B 12 5.165 -4.693 1.827 1.00 0.00 H new ATOM 0 HB THR B 12 2.162 -4.486 2.268 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.284 -6.858 2.133 1.00 0.00 H new ATOM 0 HG21 THR B 12 1.946 -5.683 0.104 1.00 0.00 H new ATOM 0 HG22 THR B 12 2.774 -4.119 -0.081 1.00 0.00 H new ATOM 0 HG23 THR B 12 3.714 -5.630 -0.092 1.00 0.00 H new ATOM 794 N LEU B 13 3.274 -2.054 2.458 1.00 0.00 N ATOM 795 CA LEU B 13 3.044 -0.631 2.144 1.00 0.00 C ATOM 796 C LEU B 13 4.280 0.249 2.373 1.00 0.00 C ATOM 797 O LEU B 13 4.558 1.181 1.625 1.00 0.00 O ATOM 798 CB LEU B 13 1.874 -0.084 2.987 1.00 0.00 C ATOM 799 CG LEU B 13 0.539 -0.819 2.746 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.548 -0.284 3.701 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.081 -0.724 1.275 1.00 0.00 C ATOM 0 H LEU B 13 2.681 -2.418 3.204 1.00 0.00 H new ATOM 0 HA LEU B 13 2.807 -0.588 1.081 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.133 -0.157 4.043 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.741 0.975 2.764 1.00 0.00 H new ATOM 0 HG LEU B 13 0.702 -1.876 2.958 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.484 -0.812 3.519 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.236 -0.443 4.733 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.693 0.782 3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.863 -1.256 1.153 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.054 0.323 1.003 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.836 -1.172 0.629 1.00 0.00 H new ATOM 813 N LYS B 14 5.016 -0.044 3.452 1.00 0.00 N ATOM 814 CA LYS B 14 6.240 0.713 3.790 1.00 0.00 C ATOM 815 C LYS B 14 7.281 0.663 2.663 1.00 0.00 C ATOM 816 O LYS B 14 7.891 1.656 2.270 1.00 0.00 O ATOM 817 CB LYS B 14 6.876 0.169 5.092 1.00 0.00 C ATOM 818 CG LYS B 14 5.972 0.294 6.338 1.00 0.00 C ATOM 819 CD LYS B 14 5.578 1.748 6.674 1.00 0.00 C ATOM 820 CE LYS B 14 4.619 1.842 7.880 1.00 0.00 C ATOM 821 NZ LYS B 14 5.277 1.336 9.092 1.00 0.00 N ATOM 0 H LYS B 14 4.792 -0.794 4.106 1.00 0.00 H new ATOM 0 HA LYS B 14 5.938 1.751 3.931 1.00 0.00 H new ATOM 0 HB2 LYS B 14 7.133 -0.880 4.947 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.808 0.702 5.278 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.066 -0.291 6.179 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.487 -0.141 7.195 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.479 2.324 6.885 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.106 2.203 5.803 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.311 2.877 8.030 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.715 1.266 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.226 2.056 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.798 0.470 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.273 1.124 8.883 1.00 0.00 H new ATOM 835 N SER B 15 7.484 -0.551 2.144 1.00 0.00 N ATOM 836 CA SER B 15 8.437 -0.782 1.038 1.00 0.00 C ATOM 837 C SER B 15 8.081 0.055 -0.199 1.00 0.00 C ATOM 838 O SER B 15 8.897 0.767 -0.789 1.00 0.00 O ATOM 839 CB SER B 15 8.442 -2.281 0.673 1.00 0.00 C ATOM 840 OG SER B 15 8.791 -3.060 1.822 1.00 0.00 O ATOM 0 H SER B 15 7.006 -1.392 2.466 1.00 0.00 H new ATOM 0 HA SER B 15 9.428 -0.475 1.372 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.460 -2.578 0.306 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.153 -2.466 -0.132 1.00 0.00 H new ATOM 0 HG SER B 15 8.025 -3.105 2.432 1.00 0.00 H new ATOM 846 N MET B 16 6.804 -0.047 -0.584 1.00 0.00 N ATOM 847 CA MET B 16 6.242 0.749 -1.692 1.00 0.00 C ATOM 848 C MET B 16 6.448 2.260 -1.483 1.00 0.00 C ATOM 849 O MET B 16 6.911 2.999 -2.353 1.00 0.00 O ATOM 850 CB MET B 16 4.725 0.454 -1.785 1.00 0.00 C ATOM 851 CG MET B 16 4.024 1.216 -2.927 1.00 0.00 C ATOM 852 SD MET B 16 2.246 0.887 -3.028 1.00 0.00 S ATOM 853 CE MET B 16 1.686 1.546 -1.437 1.00 0.00 C ATOM 0 H MET B 16 6.133 -0.676 -0.144 1.00 0.00 H new ATOM 0 HA MET B 16 6.759 0.469 -2.610 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.578 -0.617 -1.928 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.252 0.717 -0.839 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.180 2.286 -2.789 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.490 0.945 -3.874 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.596 1.564 -1.414 1.00 0.00 H new ATOM 0 HE2 MET B 16 2.056 0.913 -0.630 1.00 0.00 H new ATOM 0 HE3 MET B 16 2.068 2.559 -1.308 1.00 0.00 H new ATOM 863 N ALA B 17 6.119 2.690 -0.261 1.00 0.00 N ATOM 864 CA ALA B 17 6.035 4.114 0.125 1.00 0.00 C ATOM 865 C ALA B 17 7.252 4.942 -0.297 1.00 0.00 C ATOM 866 O ALA B 17 7.155 6.052 -0.819 1.00 0.00 O ATOM 867 CB ALA B 17 5.888 4.205 1.658 1.00 0.00 C ATOM 0 H ALA B 17 5.899 2.053 0.505 1.00 0.00 H new ATOM 0 HA ALA B 17 5.172 4.529 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.825 5.252 1.956 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.982 3.684 1.968 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.753 3.744 2.134 1.00 0.00 H new ATOM 873 N LYS B 18 8.428 4.358 -0.047 1.00 0.00 N ATOM 874 CA LYS B 18 9.715 5.009 -0.354 1.00 0.00 C ATOM 875 C LYS B 18 9.767 5.499 -1.811 1.00 0.00 C ATOM 876 O LYS B 18 10.043 6.656 -2.126 1.00 0.00 O ATOM 877 CB LYS B 18 10.865 4.001 -0.119 1.00 0.00 C ATOM 878 CG LYS B 18 10.821 3.306 1.262 1.00 0.00 C ATOM 879 CD LYS B 18 10.839 4.292 2.452 1.00 0.00 C ATOM 880 CE LYS B 18 10.722 3.580 3.816 1.00 0.00 C ATOM 881 NZ LYS B 18 11.858 2.666 4.007 1.00 0.00 N ATOM 0 H LYS B 18 8.520 3.431 0.369 1.00 0.00 H new ATOM 0 HA LYS B 18 9.822 5.873 0.301 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.832 3.240 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.817 4.521 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.922 2.693 1.322 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.673 2.631 1.347 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.763 4.870 2.426 1.00 0.00 H new ATOM 0 HD3 LYS B 18 10.017 5.000 2.345 1.00 0.00 H new ATOM 0 HE2 LYS B 18 10.699 4.317 4.619 1.00 0.00 H new ATOM 0 HE3 LYS B 18 9.786 3.024 3.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.874 2.334 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.759 1.851 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.745 3.166 3.795 1.00 0.00 H new ATOM 895 N LYS B 19 9.470 4.559 -2.709 1.00 0.00 N ATOM 896 CA LYS B 19 9.484 4.821 -4.161 1.00 0.00 C ATOM 897 C LYS B 19 8.097 5.200 -4.717 1.00 0.00 C ATOM 898 O LYS B 19 7.622 4.702 -5.741 1.00 0.00 O ATOM 899 CB LYS B 19 10.043 3.558 -4.861 1.00 0.00 C ATOM 900 CG LYS B 19 9.252 2.272 -4.528 1.00 0.00 C ATOM 901 CD LYS B 19 9.854 1.021 -5.197 1.00 0.00 C ATOM 902 CE LYS B 19 9.024 -0.252 -4.930 1.00 0.00 C ATOM 903 NZ LYS B 19 8.984 -0.512 -3.482 1.00 0.00 N ATOM 0 H LYS B 19 9.215 3.603 -2.461 1.00 0.00 H new ATOM 0 HA LYS B 19 10.118 5.685 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.031 3.714 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.084 3.421 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.234 2.130 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.218 2.391 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.923 1.186 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.870 0.871 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.013 -0.128 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.463 -1.102 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.563 -1.348 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.359 0.312 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.002 -0.685 -3.187 1.00 0.00 H new ATOM 917 N CYS B 20 7.440 6.137 -4.020 1.00 0.00 N ATOM 918 CA CYS B 20 6.135 6.664 -4.473 1.00 0.00 C ATOM 919 C CYS B 20 6.184 8.153 -4.841 1.00 0.00 C ATOM 920 O CYS B 20 7.134 8.899 -4.594 1.00 0.00 O ATOM 921 CB CYS B 20 5.050 6.449 -3.399 1.00 0.00 C ATOM 922 SG CYS B 20 4.700 4.707 -3.068 1.00 0.00 S ATOM 0 H CYS B 20 7.781 6.545 -3.150 1.00 0.00 H new ATOM 0 HA CYS B 20 5.886 6.104 -5.374 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.366 6.930 -2.473 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.132 6.942 -3.718 1.00 0.00 H new ATOM 927 N GLU B 21 5.077 8.576 -5.453 1.00 0.00 N ATOM 928 CA GLU B 21 4.903 9.961 -5.930 1.00 0.00 C ATOM 929 C GLU B 21 4.526 10.920 -4.791 1.00 0.00 C ATOM 930 O GLU B 21 4.119 10.533 -3.696 1.00 0.00 O ATOM 931 CB GLU B 21 3.754 9.956 -6.967 1.00 0.00 C ATOM 932 CG GLU B 21 3.973 8.936 -8.117 1.00 0.00 C ATOM 933 CD GLU B 21 2.738 8.791 -9.031 1.00 0.00 C ATOM 934 OE1 GLU B 21 1.822 9.611 -8.972 1.00 0.00 O ATOM 935 OE2 GLU B 21 2.715 7.841 -9.813 1.00 0.00 O ATOM 0 H GLU B 21 4.274 7.974 -5.635 1.00 0.00 H new ATOM 0 HA GLU B 21 5.845 10.305 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.817 9.727 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.651 10.955 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.828 9.249 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.221 7.963 -7.692 1.00 0.00 H new ATOM 942 N GLY B 22 4.674 12.215 -5.094 1.00 0.00 N ATOM 943 CA GLY B 22 4.233 13.322 -4.217 1.00 0.00 C ATOM 944 C GLY B 22 4.658 13.177 -2.749 1.00 0.00 C ATOM 945 O GLY B 22 5.798 13.409 -2.347 1.00 0.00 O ATOM 0 H GLY B 22 5.106 12.534 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.631 14.259 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.146 13.394 -4.262 1.00 0.00 H new ATOM 949 N SER B 23 3.678 12.759 -1.941 1.00 0.00 N ATOM 950 CA SER B 23 3.880 12.516 -0.498 1.00 0.00 C ATOM 951 C SER B 23 2.936 11.403 -0.014 1.00 0.00 C ATOM 952 O SER B 23 2.244 11.462 1.003 1.00 0.00 O ATOM 953 CB SER B 23 3.613 13.821 0.294 1.00 0.00 C ATOM 954 OG SER B 23 4.530 14.841 -0.112 1.00 0.00 O ATOM 0 H SER B 23 2.726 12.579 -2.260 1.00 0.00 H new ATOM 0 HA SER B 23 4.910 12.201 -0.330 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.589 14.154 0.126 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.716 13.634 1.363 1.00 0.00 H new ATOM 0 HG SER B 23 4.351 15.661 0.393 1.00 0.00 H new ATOM 960 N ILE B 24 2.942 10.332 -0.809 1.00 0.00 N ATOM 961 CA ILE B 24 2.141 9.125 -0.536 1.00 0.00 C ATOM 962 C ILE B 24 2.609 8.400 0.732 1.00 0.00 C ATOM 963 O ILE B 24 1.826 7.907 1.542 1.00 0.00 O ATOM 964 CB ILE B 24 2.197 8.213 -1.791 1.00 0.00 C ATOM 965 CG1 ILE B 24 1.396 8.814 -2.974 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.803 6.746 -1.524 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.107 9.026 -2.689 1.00 0.00 C ATOM 0 H ILE B 24 3.500 10.271 -1.661 1.00 0.00 H new ATOM 0 HA ILE B 24 1.106 9.407 -0.341 1.00 0.00 H new ATOM 0 HB ILE B 24 3.249 8.182 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.839 9.772 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE B 24 1.500 8.157 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.869 6.177 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.480 6.316 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.782 6.707 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -0.588 9.450 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.570 8.069 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.225 9.709 -1.848 1.00 0.00 H new ATOM 979 N ALA B 25 3.936 8.337 0.884 1.00 0.00 N ATOM 980 CA ALA B 25 4.572 7.720 2.065 1.00 0.00 C ATOM 981 C ALA B 25 4.010 8.236 3.399 1.00 0.00 C ATOM 982 O ALA B 25 3.853 7.505 4.378 1.00 0.00 O ATOM 983 CB ALA B 25 6.089 7.990 2.017 1.00 0.00 C ATOM 0 H ALA B 25 4.599 8.707 0.202 1.00 0.00 H new ATOM 0 HA ALA B 25 4.356 6.652 2.022 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.567 7.538 2.886 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.507 7.558 1.107 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.268 9.065 2.024 1.00 0.00 H new ATOM 989 N THR B 26 3.723 9.541 3.428 1.00 0.00 N ATOM 990 CA THR B 26 3.150 10.195 4.622 1.00 0.00 C ATOM 991 C THR B 26 1.828 9.538 5.048 1.00 0.00 C ATOM 992 O THR B 26 1.616 9.134 6.193 1.00 0.00 O ATOM 993 CB THR B 26 2.914 11.696 4.318 1.00 0.00 C ATOM 994 OG1 THR B 26 4.145 12.297 3.906 1.00 0.00 O ATOM 995 CG2 THR B 26 2.364 12.476 5.532 1.00 0.00 C ATOM 0 H THR B 26 3.876 10.171 2.641 1.00 0.00 H new ATOM 0 HA THR B 26 3.857 10.084 5.445 1.00 0.00 H new ATOM 0 HB THR B 26 2.166 11.745 3.527 1.00 0.00 H new ATOM 0 HG1 THR B 26 3.997 13.246 3.712 1.00 0.00 H new ATOM 0 HG21 THR B 26 2.219 13.521 5.258 1.00 0.00 H new ATOM 0 HG22 THR B 26 1.411 12.046 5.839 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.073 12.412 6.357 1.00 0.00 H new ATOM 1003 N MET B 27 0.916 9.443 4.077 1.00 0.00 N ATOM 1004 CA MET B 27 -0.405 8.822 4.294 1.00 0.00 C ATOM 1005 C MET B 27 -0.290 7.360 4.743 1.00 0.00 C ATOM 1006 O MET B 27 -0.859 6.932 5.747 1.00 0.00 O ATOM 1007 CB MET B 27 -1.229 8.903 2.994 1.00 0.00 C ATOM 1008 CG MET B 27 -1.552 10.337 2.521 1.00 0.00 C ATOM 1009 SD MET B 27 -2.623 11.253 3.665 1.00 0.00 S ATOM 1010 CE MET B 27 -1.414 12.047 4.758 1.00 0.00 C ATOM 0 H MET B 27 1.063 9.788 3.128 1.00 0.00 H new ATOM 0 HA MET B 27 -0.904 9.371 5.093 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.684 8.388 2.202 1.00 0.00 H new ATOM 0 HB3 MET B 27 -2.165 8.364 3.139 1.00 0.00 H new ATOM 0 HG2 MET B 27 -0.620 10.886 2.390 1.00 0.00 H new ATOM 0 HG3 MET B 27 -2.034 10.289 1.544 1.00 0.00 H new ATOM 0 HE1 MET B 27 -1.398 11.531 5.718 1.00 0.00 H new ATOM 0 HE2 MET B 27 -0.425 11.998 4.303 1.00 0.00 H new ATOM 0 HE3 MET B 27 -1.691 13.090 4.911 1.00 0.00 H new ATOM 1020 N ILE B 28 0.482 6.589 3.971 1.00 0.00 N ATOM 1021 CA ILE B 28 0.753 5.167 4.270 1.00 0.00 C ATOM 1022 C ILE B 28 1.163 4.951 5.735 1.00 0.00 C ATOM 1023 O ILE B 28 0.648 4.096 6.457 1.00 0.00 O ATOM 1024 CB ILE B 28 1.879 4.658 3.329 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.407 4.616 1.857 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.439 3.288 3.783 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.541 4.295 0.863 1.00 0.00 C ATOM 0 H ILE B 28 0.938 6.925 3.123 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.166 4.605 4.105 1.00 0.00 H new ATOM 0 HB ILE B 28 2.698 5.374 3.394 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.621 3.867 1.756 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.966 5.578 1.596 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.224 2.970 3.097 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.851 3.378 4.788 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.637 2.550 3.784 1.00 0.00 H new ATOM 0 HD11 ILE B 28 2.142 4.281 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.317 5.057 0.937 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.967 3.320 1.099 1.00 0.00 H new ATOM 1039 N LYS B 29 2.130 5.770 6.159 1.00 0.00 N ATOM 1040 CA LYS B 29 2.683 5.694 7.521 1.00 0.00 C ATOM 1041 C LYS B 29 1.580 5.818 8.576 1.00 0.00 C ATOM 1042 O LYS B 29 1.401 4.977 9.455 1.00 0.00 O ATOM 1043 CB LYS B 29 3.711 6.836 7.709 1.00 0.00 C ATOM 1044 CG LYS B 29 4.470 6.774 9.056 1.00 0.00 C ATOM 1045 CD LYS B 29 5.230 5.450 9.324 1.00 0.00 C ATOM 1046 CE LYS B 29 6.395 5.146 8.353 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.898 4.853 6.999 1.00 0.00 N ATOM 0 H LYS B 29 2.549 6.497 5.579 1.00 0.00 H new ATOM 0 HA LYS B 29 3.164 4.724 7.649 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.433 6.801 6.893 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.195 7.793 7.637 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.183 7.597 9.091 1.00 0.00 H new ATOM 0 HG3 LYS B 29 3.757 6.935 9.864 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.624 5.476 10.340 1.00 0.00 H new ATOM 0 HD3 LYS B 29 4.518 4.626 9.279 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.074 5.998 8.317 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.969 4.297 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.540 4.181 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.947 4.437 7.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.856 5.733 6.447 1.00 0.00 H new ATOM 1061 N LYS B 30 0.806 6.901 8.429 1.00 0.00 N ATOM 1062 CA LYS B 30 -0.285 7.257 9.359 1.00 0.00 C ATOM 1063 C LYS B 30 -1.243 6.087 9.633 1.00 0.00 C ATOM 1064 O LYS B 30 -1.580 5.750 10.768 1.00 0.00 O ATOM 1065 CB LYS B 30 -1.072 8.434 8.738 1.00 0.00 C ATOM 1066 CG LYS B 30 -2.185 8.986 9.654 1.00 0.00 C ATOM 1067 CD LYS B 30 -2.995 10.127 9.000 1.00 0.00 C ATOM 1068 CE LYS B 30 -2.131 11.343 8.608 1.00 0.00 C ATOM 1069 NZ LYS B 30 -2.988 12.386 8.026 1.00 0.00 N ATOM 0 H LYS B 30 0.916 7.561 7.659 1.00 0.00 H new ATOM 0 HA LYS B 30 0.158 7.528 10.318 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.377 9.239 8.500 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.516 8.107 7.798 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -2.862 8.175 9.923 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.739 9.349 10.580 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -3.495 9.744 8.111 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -3.774 10.451 9.690 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.612 11.731 9.484 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.367 11.043 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -2.406 13.206 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.464 12.012 7.180 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.701 12.679 8.724 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.689 5.463 8.540 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.661 4.357 8.623 1.00 0.00 C ATOM 1085 C LYS B 31 -2.095 3.135 9.356 1.00 0.00 C ATOM 1086 O LYS B 31 -2.755 2.486 10.168 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.136 3.942 7.212 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.625 5.128 6.351 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.654 6.049 7.041 1.00 0.00 C ATOM 1090 CE LYS B 31 -4.986 7.289 6.189 1.00 0.00 C ATOM 1091 NZ LYS B 31 -3.779 8.111 6.007 1.00 0.00 N ATOM 0 H LYS B 31 -1.398 5.698 7.591 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.508 4.728 9.200 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.318 3.441 6.695 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.944 3.216 7.308 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.762 5.726 6.058 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.067 4.736 5.435 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.568 5.488 7.236 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.264 6.368 8.007 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.376 6.980 5.219 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.766 7.876 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.054 9.100 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -3.188 8.054 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -3.240 7.761 5.189 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.831 2.819 9.045 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.148 1.660 9.652 1.00 0.00 C ATOM 1107 C CYS B 32 -0.078 1.742 11.185 1.00 0.00 C ATOM 1108 O CYS B 32 -0.387 0.791 11.905 1.00 0.00 O ATOM 1109 CB CYS B 32 1.270 1.494 9.067 1.00 0.00 C ATOM 1110 SG CYS B 32 2.170 0.182 9.933 1.00 0.00 S ATOM 0 H CYS B 32 -0.261 3.343 8.382 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.749 0.785 9.404 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.205 1.258 8.005 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.816 2.434 9.152 1.00 0.00 H new