USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 THR OG1 : rot 10:sc= 0.474 USER MOD Set 2.1: A 68 SER OG : rot -23:sc= 1.29 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 155:sc= 0.59 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.488! X(o=-0.49!,f=-0.085) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc=-0.00295 F(o=-0.88,f=-0.0029) USER MOD Single : A 30 TYR OH : rot 120:sc= 0 USER MOD Single : A 34 THR OG1 : rot -2:sc= 0.762 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.71 F(o=-3.6,f=-1.7) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 96:sc= -0.273 USER MOD Single : A 43 MET CE :methyl -174:sc= 0 (180deg=-0.0778) USER MOD Single : A 44 LYS NZ :NH3+ -116:sc= 0.174 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 147:sc= 1.27 USER MOD Single : A 62 GLN : amide:sc= -0.0833 K(o=-0.083,f=-0.66) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -121:sc= 1.27 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.0414 F(o=-0.86,f=0.041) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.775 -5.102 -16.038 1.00 0.00 N ATOM 28 CA GLU A 3 -6.325 -5.130 -16.154 1.00 0.00 C ATOM 29 C GLU A 3 -5.710 -4.678 -14.825 1.00 0.00 C ATOM 30 O GLU A 3 -6.372 -4.693 -13.788 1.00 0.00 O ATOM 31 CB GLU A 3 -5.832 -4.364 -17.401 1.00 0.00 C ATOM 32 CG GLU A 3 -4.663 -5.068 -18.107 1.00 0.00 C ATOM 33 CD GLU A 3 -4.209 -4.283 -19.334 1.00 0.00 C ATOM 34 OE1 GLU A 3 -4.937 -4.346 -20.349 1.00 0.00 O ATOM 35 OE2 GLU A 3 -3.145 -3.636 -19.233 1.00 0.00 O ATOM 0 HA GLU A 3 -5.978 -6.148 -16.329 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.659 -4.250 -18.102 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.522 -3.361 -17.107 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.829 -5.179 -17.414 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.966 -6.072 -18.405 1.00 0.00 H new ATOM 42 N TRP A 4 -4.428 -4.329 -14.858 1.00 0.00 N ATOM 43 CA TRP A 4 -3.723 -3.725 -13.740 1.00 0.00 C ATOM 44 C TRP A 4 -3.579 -2.235 -14.021 1.00 0.00 C ATOM 45 O TRP A 4 -3.466 -1.828 -15.176 1.00 0.00 O ATOM 46 CB TRP A 4 -2.328 -4.325 -13.567 1.00 0.00 C ATOM 47 CG TRP A 4 -2.212 -5.788 -13.275 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.596 -6.811 -14.071 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.613 -6.402 -12.100 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.285 -8.011 -13.463 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.677 -7.819 -12.239 1.00 0.00 C ATOM 52 CE3 TRP A 4 -1.022 -5.894 -10.928 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -1.180 -8.689 -11.257 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.537 -6.755 -9.930 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.611 -8.151 -10.090 1.00 0.00 C ATOM 0 H TRP A 4 -3.841 -4.462 -15.681 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.290 -3.910 -12.827 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.765 -4.123 -14.478 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.833 -3.785 -12.760 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.073 -6.706 -15.034 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.480 -8.926 -13.868 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.940 -4.825 -10.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.234 -9.759 -11.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.103 -6.342 -9.031 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -0.232 -8.806 -9.319 1.00 0.00 H new ATOM 66 N GLU A 5 -3.551 -1.437 -12.958 1.00 0.00 N ATOM 67 CA GLU A 5 -3.419 0.003 -12.999 1.00 0.00 C ATOM 68 C GLU A 5 -2.345 0.446 -12.010 1.00 0.00 C ATOM 69 O GLU A 5 -1.899 -0.320 -11.149 1.00 0.00 O ATOM 70 CB GLU A 5 -4.757 0.659 -12.632 1.00 0.00 C ATOM 71 CG GLU A 5 -5.819 0.555 -13.736 1.00 0.00 C ATOM 72 CD GLU A 5 -6.480 -0.819 -13.802 1.00 0.00 C ATOM 73 OE1 GLU A 5 -7.034 -1.231 -12.759 1.00 0.00 O ATOM 74 OE2 GLU A 5 -6.426 -1.423 -14.893 1.00 0.00 O ATOM 0 H GLU A 5 -3.623 -1.799 -12.007 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.134 0.308 -14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.142 0.194 -11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.585 1.711 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.585 1.312 -13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.357 0.776 -14.698 1.00 0.00 H new ATOM 81 N ILE A 6 -1.969 1.718 -12.142 1.00 0.00 N ATOM 82 CA ILE A 6 -1.105 2.408 -11.206 1.00 0.00 C ATOM 83 C ILE A 6 -1.722 2.392 -9.807 1.00 0.00 C ATOM 84 O ILE A 6 -2.942 2.425 -9.642 1.00 0.00 O ATOM 85 CB ILE A 6 -0.808 3.841 -11.695 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.056 4.747 -11.754 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.139 3.800 -13.077 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.193 5.636 -10.513 1.00 0.00 C ATOM 0 H ILE A 6 -2.267 2.303 -12.922 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.150 1.885 -11.149 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.136 4.279 -10.957 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.004 5.375 -12.643 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.947 4.127 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.066 4.817 -13.412 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.796 3.244 -13.012 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.804 3.310 -13.789 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.087 6.253 -10.605 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.274 5.010 -9.624 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.316 6.277 -10.426 1.00 0.00 H new ATOM 100 N ILE A 7 -0.856 2.342 -8.803 1.00 0.00 N ATOM 101 CA ILE A 7 -1.198 2.445 -7.396 1.00 0.00 C ATOM 102 C ILE A 7 -1.274 3.938 -7.029 1.00 0.00 C ATOM 103 O ILE A 7 -0.355 4.697 -7.333 1.00 0.00 O ATOM 104 CB ILE A 7 -0.138 1.650 -6.614 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.501 1.433 -5.140 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.233 2.316 -6.729 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.430 0.455 -4.420 1.00 0.00 C ATOM 0 H ILE A 7 0.145 2.223 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.171 2.020 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.103 0.662 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.477 2.392 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.524 1.062 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.967 1.737 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.529 2.360 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.182 3.326 -6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.114 0.349 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.388 -0.516 -4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.451 0.834 -4.452 1.00 0.00 H new ATOM 119 N ASP A 8 -2.385 4.386 -6.436 1.00 0.00 N ATOM 120 CA ASP A 8 -2.593 5.797 -6.122 1.00 0.00 C ATOM 121 C ASP A 8 -1.769 6.214 -4.891 1.00 0.00 C ATOM 122 O ASP A 8 -1.352 5.379 -4.084 1.00 0.00 O ATOM 123 CB ASP A 8 -4.099 6.075 -5.959 1.00 0.00 C ATOM 124 CG ASP A 8 -4.481 7.555 -6.008 1.00 0.00 C ATOM 125 OD1 ASP A 8 -3.592 8.386 -6.297 1.00 0.00 O ATOM 126 OD2 ASP A 8 -5.676 7.828 -5.768 1.00 0.00 O ATOM 0 H ASP A 8 -3.160 3.782 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.235 6.412 -6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.640 5.547 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.431 5.659 -5.008 1.00 0.00 H new ATOM 131 N ILE A 9 -1.524 7.518 -4.761 1.00 0.00 N ATOM 132 CA ILE A 9 -0.650 8.129 -3.768 1.00 0.00 C ATOM 133 C ILE A 9 -1.486 8.640 -2.587 1.00 0.00 C ATOM 134 O ILE A 9 -2.713 8.551 -2.611 1.00 0.00 O ATOM 135 CB ILE A 9 0.189 9.216 -4.477 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.936 8.629 -5.692 1.00 0.00 C ATOM 137 CG2 ILE A 9 1.204 9.921 -3.564 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.846 7.449 -5.331 1.00 0.00 C ATOM 0 H ILE A 9 -1.953 8.208 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 9 0.049 7.412 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.534 9.967 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.208 8.304 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.535 9.413 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.752 10.669 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.678 10.408 -2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.904 9.188 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.341 7.083 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.596 7.775 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.248 6.649 -4.895 1.00 0.00 H new ATOM 150 N GLY A 10 -0.841 9.146 -1.529 1.00 0.00 N ATOM 151 CA GLY A 10 -1.557 9.671 -0.375 1.00 0.00 C ATOM 152 C GLY A 10 -2.329 8.551 0.332 1.00 0.00 C ATOM 153 O GLY A 10 -1.713 7.539 0.673 1.00 0.00 O ATOM 0 H GLY A 10 0.175 9.200 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.853 10.130 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.247 10.453 -0.692 1.00 0.00 H new ATOM 157 N PRO A 11 -3.646 8.686 0.571 1.00 0.00 N ATOM 158 CA PRO A 11 -4.422 7.739 1.364 1.00 0.00 C ATOM 159 C PRO A 11 -4.721 6.468 0.558 1.00 0.00 C ATOM 160 O PRO A 11 -5.874 6.131 0.303 1.00 0.00 O ATOM 161 CB PRO A 11 -5.693 8.505 1.750 1.00 0.00 C ATOM 162 CG PRO A 11 -5.917 9.403 0.534 1.00 0.00 C ATOM 163 CD PRO A 11 -4.490 9.790 0.138 1.00 0.00 C ATOM 0 HA PRO A 11 -3.889 7.392 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.535 7.835 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.557 9.084 2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.432 8.876 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.520 10.277 0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.411 9.944 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.190 10.722 0.616 1.00 0.00 H new ATOM 171 N PHE A 12 -3.667 5.762 0.143 1.00 0.00 N ATOM 172 CA PHE A 12 -3.742 4.586 -0.693 1.00 0.00 C ATOM 173 C PHE A 12 -2.419 3.831 -0.539 1.00 0.00 C ATOM 174 O PHE A 12 -2.325 2.980 0.341 1.00 0.00 O ATOM 175 CB PHE A 12 -4.104 5.015 -2.118 1.00 0.00 C ATOM 176 CG PHE A 12 -4.741 3.944 -2.975 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.145 3.892 -3.055 1.00 0.00 C ATOM 178 CD2 PHE A 12 -3.961 3.178 -3.860 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.766 3.185 -4.097 1.00 0.00 C ATOM 180 CE2 PHE A 12 -4.586 2.459 -4.895 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.983 2.517 -5.051 1.00 0.00 C ATOM 0 H PHE A 12 -2.710 6.011 0.394 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.529 3.890 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.785 5.864 -2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.199 5.364 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.746 4.397 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.888 3.142 -3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.843 3.155 -4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.992 1.861 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.452 2.048 -5.903 1.00 0.00 H new ATOM 191 N THR A 13 -1.354 4.178 -1.280 1.00 0.00 N ATOM 192 CA THR A 13 -0.059 3.519 -1.104 1.00 0.00 C ATOM 193 C THR A 13 0.411 3.654 0.348 1.00 0.00 C ATOM 194 O THR A 13 0.863 2.689 0.962 1.00 0.00 O ATOM 195 CB THR A 13 0.980 4.062 -2.105 1.00 0.00 C ATOM 196 OG1 THR A 13 2.124 3.231 -2.142 1.00 0.00 O ATOM 197 CG2 THR A 13 1.433 5.498 -1.812 1.00 0.00 C ATOM 0 H THR A 13 -1.367 4.903 -1.997 1.00 0.00 H new ATOM 0 HA THR A 13 -0.174 2.456 -1.317 1.00 0.00 H new ATOM 0 HB THR A 13 0.471 4.066 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.770 3.592 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.163 5.809 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.572 6.165 -1.847 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.886 5.542 -0.822 1.00 0.00 H new ATOM 205 N GLN A 14 0.299 4.864 0.900 1.00 0.00 N ATOM 206 CA GLN A 14 0.763 5.153 2.245 1.00 0.00 C ATOM 207 C GLN A 14 -0.172 4.505 3.262 1.00 0.00 C ATOM 208 O GLN A 14 0.296 3.920 4.231 1.00 0.00 O ATOM 209 CB GLN A 14 0.909 6.668 2.425 1.00 0.00 C ATOM 210 CG GLN A 14 2.379 7.096 2.366 1.00 0.00 C ATOM 211 CD GLN A 14 2.509 8.573 2.010 1.00 0.00 C ATOM 212 OE1 GLN A 14 2.493 8.929 0.835 1.00 0.00 O ATOM 213 NE2 GLN A 14 2.631 9.445 3.006 1.00 0.00 N ATOM 0 H GLN A 14 -0.116 5.665 0.423 1.00 0.00 H new ATOM 0 HA GLN A 14 1.750 4.723 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.346 7.185 1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.479 6.966 3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.854 6.908 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.907 6.493 1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.641 9.118 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.715 10.441 2.804 1.00 0.00 H new ATOM 222 N ASN A 15 -1.486 4.562 3.027 1.00 0.00 N ATOM 223 CA ASN A 15 -2.465 3.857 3.854 1.00 0.00 C ATOM 224 C ASN A 15 -2.114 2.373 3.959 1.00 0.00 C ATOM 225 O ASN A 15 -2.184 1.796 5.040 1.00 0.00 O ATOM 226 CB ASN A 15 -3.876 4.011 3.276 1.00 0.00 C ATOM 227 CG ASN A 15 -4.994 3.722 4.284 1.00 0.00 C ATOM 228 OD1 ASN A 15 -6.029 4.378 4.249 1.00 0.00 O ATOM 229 ND2 ASN A 15 -4.834 2.766 5.197 1.00 0.00 N ATOM 0 H ASN A 15 -1.898 5.096 2.262 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.440 4.300 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.994 5.026 2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.985 3.339 2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.575 2.576 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.971 2.223 5.221 1.00 0.00 H new ATOM 236 N LEU A 16 -1.790 1.750 2.829 1.00 0.00 N ATOM 237 CA LEU A 16 -1.442 0.337 2.749 1.00 0.00 C ATOM 238 C LEU A 16 -0.102 0.056 3.439 1.00 0.00 C ATOM 239 O LEU A 16 0.016 -0.899 4.213 1.00 0.00 O ATOM 240 CB LEU A 16 -1.410 -0.078 1.274 1.00 0.00 C ATOM 241 CG LEU A 16 -2.803 -0.128 0.618 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.632 -0.285 -0.896 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.680 -1.211 1.254 1.00 0.00 C ATOM 0 H LEU A 16 -1.762 2.224 1.926 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.194 -0.253 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.782 0.621 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.943 -1.059 1.191 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.336 0.806 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.612 -0.322 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.070 0.562 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.092 -1.208 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.656 -1.220 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.204 -2.184 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.805 -1.001 2.316 1.00 0.00 H new ATOM 255 N ALA A 17 0.910 0.883 3.166 1.00 0.00 N ATOM 256 CA ALA A 17 2.194 0.815 3.855 1.00 0.00 C ATOM 257 C ALA A 17 1.982 0.875 5.371 1.00 0.00 C ATOM 258 O ALA A 17 2.545 0.070 6.111 1.00 0.00 O ATOM 259 CB ALA A 17 3.105 1.943 3.366 1.00 0.00 C ATOM 0 H ALA A 17 0.859 1.618 2.460 1.00 0.00 H new ATOM 0 HA ALA A 17 2.681 -0.133 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.063 1.888 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.266 1.841 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.636 2.905 3.573 1.00 0.00 H new ATOM 265 N LYS A 18 1.143 1.807 5.833 1.00 0.00 N ATOM 266 CA LYS A 18 0.799 1.894 7.241 1.00 0.00 C ATOM 267 C LYS A 18 0.067 0.634 7.686 1.00 0.00 C ATOM 268 O LYS A 18 0.446 0.072 8.703 1.00 0.00 O ATOM 269 CB LYS A 18 -0.019 3.153 7.583 1.00 0.00 C ATOM 270 CG LYS A 18 0.723 4.127 8.512 1.00 0.00 C ATOM 271 CD LYS A 18 1.289 3.447 9.774 1.00 0.00 C ATOM 272 CE LYS A 18 1.471 4.437 10.929 1.00 0.00 C ATOM 273 NZ LYS A 18 0.197 4.706 11.619 1.00 0.00 N ATOM 0 H LYS A 18 0.693 2.509 5.246 1.00 0.00 H new ATOM 0 HA LYS A 18 1.736 1.978 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.280 3.670 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.954 2.853 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.539 4.594 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.043 4.924 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.618 2.646 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.248 2.986 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.194 4.038 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.883 5.371 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.358 5.380 12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.484 5.110 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.183 3.818 12.005 1.00 0.00 H new ATOM 287 N PHE A 19 -0.968 0.199 6.957 1.00 0.00 N ATOM 288 CA PHE A 19 -1.767 -0.975 7.306 1.00 0.00 C ATOM 289 C PHE A 19 -0.856 -2.138 7.670 1.00 0.00 C ATOM 290 O PHE A 19 -1.007 -2.714 8.743 1.00 0.00 O ATOM 291 CB PHE A 19 -2.716 -1.370 6.165 1.00 0.00 C ATOM 292 CG PHE A 19 -3.591 -2.594 6.414 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.345 -2.713 7.599 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.695 -3.598 5.429 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.224 -3.798 7.777 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.573 -4.683 5.608 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.354 -4.775 6.773 1.00 0.00 C ATOM 0 H PHE A 19 -1.275 0.659 6.100 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.381 -0.720 8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.366 -0.522 5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.120 -1.550 5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.248 -1.968 8.375 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.097 -3.534 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.800 -3.881 8.687 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.647 -5.447 4.848 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.050 -5.591 6.897 1.00 0.00 H new ATOM 307 N ALA A 20 0.114 -2.435 6.796 1.00 0.00 N ATOM 308 CA ALA A 20 1.136 -3.438 7.090 1.00 0.00 C ATOM 309 C ALA A 20 1.723 -3.247 8.492 1.00 0.00 C ATOM 310 O ALA A 20 1.539 -4.094 9.366 1.00 0.00 O ATOM 311 CB ALA A 20 2.263 -3.406 6.050 1.00 0.00 C ATOM 0 H ALA A 20 0.209 -1.994 5.881 1.00 0.00 H new ATOM 0 HA ALA A 20 0.646 -4.411 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.007 -4.163 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.852 -3.610 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.732 -2.422 6.052 1.00 0.00 H new ATOM 317 N VAL A 21 2.454 -2.147 8.697 1.00 0.00 N ATOM 318 CA VAL A 21 3.214 -1.935 9.922 1.00 0.00 C ATOM 319 C VAL A 21 2.275 -1.943 11.131 1.00 0.00 C ATOM 320 O VAL A 21 2.542 -2.616 12.121 1.00 0.00 O ATOM 321 CB VAL A 21 3.992 -0.611 9.836 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.812 -0.385 11.116 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.975 -0.603 8.663 1.00 0.00 C ATOM 0 H VAL A 21 2.532 -1.387 8.021 1.00 0.00 H new ATOM 0 HA VAL A 21 3.932 -2.746 10.044 1.00 0.00 H new ATOM 0 HB VAL A 21 3.249 0.175 9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.356 0.556 11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.142 -0.347 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.520 -1.204 11.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.504 0.350 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.693 -1.414 8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.429 -0.739 7.730 1.00 0.00 H new ATOM 333 N ASP A 22 1.190 -1.173 11.039 1.00 0.00 N ATOM 334 CA ASP A 22 0.172 -0.992 12.059 1.00 0.00 C ATOM 335 C ASP A 22 -0.415 -2.332 12.482 1.00 0.00 C ATOM 336 O ASP A 22 -0.310 -2.706 13.647 1.00 0.00 O ATOM 337 CB ASP A 22 -0.928 -0.068 11.518 1.00 0.00 C ATOM 338 CG ASP A 22 -2.117 0.013 12.468 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.921 0.561 13.574 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.197 -0.472 12.068 1.00 0.00 O ATOM 0 H ASP A 22 0.992 -0.630 10.199 1.00 0.00 H new ATOM 0 HA ASP A 22 0.626 -0.536 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.519 0.930 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.263 -0.432 10.547 1.00 0.00 H new ATOM 345 N GLU A 23 -1.048 -3.050 11.549 1.00 0.00 N ATOM 346 CA GLU A 23 -1.677 -4.320 11.854 1.00 0.00 C ATOM 347 C GLU A 23 -0.654 -5.277 12.463 1.00 0.00 C ATOM 348 O GLU A 23 -0.937 -5.926 13.472 1.00 0.00 O ATOM 349 CB GLU A 23 -2.328 -4.876 10.581 1.00 0.00 C ATOM 350 CG GLU A 23 -3.624 -5.646 10.850 1.00 0.00 C ATOM 351 CD GLU A 23 -3.451 -7.063 11.401 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.295 -7.523 11.499 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.501 -7.676 11.689 1.00 0.00 O ATOM 0 H GLU A 23 -1.134 -2.763 10.574 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.464 -4.189 12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.538 -4.052 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.620 -5.534 10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.226 -5.073 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.190 -5.704 9.920 1.00 0.00 H new ATOM 360 N GLU A 24 0.552 -5.319 11.885 1.00 0.00 N ATOM 361 CA GLU A 24 1.627 -6.107 12.460 1.00 0.00 C ATOM 362 C GLU A 24 1.843 -5.692 13.920 1.00 0.00 C ATOM 363 O GLU A 24 1.812 -6.538 14.802 1.00 0.00 O ATOM 364 CB GLU A 24 2.909 -5.967 11.628 1.00 0.00 C ATOM 365 CG GLU A 24 3.783 -7.222 11.691 1.00 0.00 C ATOM 366 CD GLU A 24 3.941 -7.808 13.089 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.497 -7.094 13.949 1.00 0.00 O ATOM 368 OE2 GLU A 24 3.517 -8.973 13.255 1.00 0.00 O ATOM 0 H GLU A 24 0.798 -4.820 11.030 1.00 0.00 H new ATOM 0 HA GLU A 24 1.352 -7.162 12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.645 -5.762 10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.480 -5.111 11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.354 -7.982 11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.771 -6.983 11.296 1.00 0.00 H new ATOM 375 N ASN A 25 2.051 -4.401 14.183 1.00 0.00 N ATOM 376 CA ASN A 25 2.283 -3.889 15.529 1.00 0.00 C ATOM 377 C ASN A 25 1.132 -4.248 16.465 1.00 0.00 C ATOM 378 O ASN A 25 1.363 -4.521 17.639 1.00 0.00 O ATOM 379 CB ASN A 25 2.516 -2.368 15.509 1.00 0.00 C ATOM 380 CG ASN A 25 3.949 -2.010 15.883 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.197 -1.349 16.885 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.915 -2.442 15.075 1.00 0.00 N ATOM 0 H ASN A 25 2.063 -3.679 13.462 1.00 0.00 H new ATOM 0 HA ASN A 25 3.186 -4.366 15.911 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.292 -1.979 14.516 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.828 -1.886 16.203 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.890 -2.225 15.283 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.681 -2.990 14.248 1.00 0.00 H new ATOM 389 N LYS A 26 -0.103 -4.241 15.955 1.00 0.00 N ATOM 390 CA LYS A 26 -1.273 -4.627 16.712 1.00 0.00 C ATOM 391 C LYS A 26 -1.159 -6.106 17.106 1.00 0.00 C ATOM 392 O LYS A 26 -1.171 -6.423 18.294 1.00 0.00 O ATOM 393 CB LYS A 26 -2.511 -4.225 15.887 1.00 0.00 C ATOM 394 CG LYS A 26 -3.841 -4.933 16.158 1.00 0.00 C ATOM 395 CD LYS A 26 -4.095 -5.185 17.643 1.00 0.00 C ATOM 396 CE LYS A 26 -5.601 -5.244 17.918 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.886 -5.853 19.228 1.00 0.00 N ATOM 0 H LYS A 26 -0.309 -3.963 14.995 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.368 -4.109 17.666 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.671 -3.156 16.031 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.268 -4.372 14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.655 -4.331 15.753 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.854 -5.885 15.627 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.625 -6.121 17.946 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.640 -4.393 18.237 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.018 -4.237 17.885 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.093 -5.819 17.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.914 -5.878 19.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.509 -6.822 19.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.436 -5.290 19.978 1.00 0.00 H new ATOM 411 N ILE A 27 -1.074 -7.018 16.135 1.00 0.00 N ATOM 412 CA ILE A 27 -1.073 -8.452 16.423 1.00 0.00 C ATOM 413 C ILE A 27 0.262 -8.973 16.983 1.00 0.00 C ATOM 414 O ILE A 27 0.275 -9.646 18.011 1.00 0.00 O ATOM 415 CB ILE A 27 -1.529 -9.218 15.170 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.998 -8.913 14.812 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.310 -10.726 15.326 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.009 -9.213 15.927 1.00 0.00 C ATOM 0 H ILE A 27 -1.005 -6.788 15.144 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.784 -8.631 17.230 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.910 -8.870 14.343 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.080 -7.861 14.540 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.270 -9.492 13.929 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.643 -11.237 14.423 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.250 -10.925 15.486 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.881 -11.090 16.180 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.014 -8.967 15.583 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.963 -10.271 16.185 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.770 -8.614 16.806 1.00 0.00 H new ATOM 430 N GLY A 28 1.371 -8.732 16.286 1.00 0.00 N ATOM 431 CA GLY A 28 2.691 -9.224 16.660 1.00 0.00 C ATOM 432 C GLY A 28 2.878 -10.690 16.265 1.00 0.00 C ATOM 433 O GLY A 28 3.087 -11.551 17.117 1.00 0.00 O ATOM 0 H GLY A 28 1.375 -8.178 15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.457 -8.616 16.178 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.829 -9.116 17.736 1.00 0.00 H new ATOM 437 N GLN A 29 2.789 -10.991 14.965 1.00 0.00 N ATOM 438 CA GLN A 29 3.165 -12.289 14.411 1.00 0.00 C ATOM 439 C GLN A 29 4.601 -12.309 13.870 1.00 0.00 C ATOM 440 O GLN A 29 5.363 -13.206 14.225 1.00 0.00 O ATOM 441 CB GLN A 29 2.122 -12.762 13.387 1.00 0.00 C ATOM 442 CG GLN A 29 1.337 -13.992 13.868 1.00 0.00 C ATOM 443 CD GLN A 29 0.287 -13.695 14.940 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.682 -13.266 16.137 1.00 0.00 O flip ATOM 445 NE2 GLN A 29 -0.901 -13.870 14.693 1.00 0.00 N flip ATOM 0 H GLN A 29 2.450 -10.332 14.264 1.00 0.00 H new ATOM 0 HA GLN A 29 3.166 -13.013 15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.426 -11.949 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.622 -12.999 12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.843 -14.450 13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.041 -14.726 14.260 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.187 -14.199 13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.603 -13.687 15.410 1.00 0.00 H new ATOM 454 N TYR A 30 4.962 -11.369 12.988 1.00 0.00 N ATOM 455 CA TYR A 30 6.269 -11.347 12.322 1.00 0.00 C ATOM 456 C TYR A 30 7.117 -10.193 12.859 1.00 0.00 C ATOM 457 O TYR A 30 8.103 -10.419 13.556 1.00 0.00 O ATOM 458 CB TYR A 30 6.153 -11.338 10.777 1.00 0.00 C ATOM 459 CG TYR A 30 4.760 -11.177 10.193 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.858 -12.256 10.238 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.359 -9.962 9.611 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.512 -12.062 9.885 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.022 -9.784 9.210 1.00 0.00 C ATOM 464 CZ TYR A 30 2.084 -10.806 9.430 1.00 0.00 C ATOM 465 OH TYR A 30 0.757 -10.549 9.277 1.00 0.00 O ATOM 0 H TYR A 30 4.352 -10.598 12.715 1.00 0.00 H new ATOM 0 HA TYR A 30 6.783 -12.278 12.562 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.776 -10.530 10.395 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.573 -12.270 10.400 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.200 -13.234 10.544 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.076 -9.166 9.472 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.809 -12.878 9.964 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.718 -8.863 8.734 1.00 0.00 H new ATOM 0 HH TYR A 30 0.501 -9.799 9.853 1.00 0.00 H new ATOM 475 N GLY A 31 6.735 -8.958 12.528 1.00 0.00 N ATOM 476 CA GLY A 31 7.496 -7.757 12.859 1.00 0.00 C ATOM 477 C GLY A 31 8.009 -7.142 11.566 1.00 0.00 C ATOM 478 O GLY A 31 8.593 -7.842 10.744 1.00 0.00 O ATOM 0 H GLY A 31 5.875 -8.764 12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.867 -7.045 13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.329 -8.005 13.517 1.00 0.00 H new ATOM 482 N ARG A 32 7.795 -5.839 11.356 1.00 0.00 N ATOM 483 CA ARG A 32 8.076 -5.198 10.079 1.00 0.00 C ATOM 484 C ARG A 32 9.529 -4.736 10.028 1.00 0.00 C ATOM 485 O ARG A 32 9.833 -3.629 9.579 1.00 0.00 O ATOM 486 CB ARG A 32 7.047 -4.086 9.825 1.00 0.00 C ATOM 487 CG ARG A 32 6.795 -3.807 8.336 1.00 0.00 C ATOM 488 CD ARG A 32 7.685 -2.716 7.712 1.00 0.00 C ATOM 489 NE ARG A 32 6.997 -2.070 6.579 1.00 0.00 N ATOM 490 CZ ARG A 32 7.148 -0.798 6.172 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.092 -0.018 6.704 1.00 0.00 N ATOM 492 NH2 ARG A 32 6.334 -0.300 5.236 1.00 0.00 N ATOM 0 H ARG A 32 7.424 -5.207 12.066 1.00 0.00 H new ATOM 0 HA ARG A 32 7.968 -5.907 9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.104 -4.360 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.390 -3.169 10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.940 -4.733 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.752 -3.519 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.936 -1.969 8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.623 -3.155 7.372 1.00 0.00 H new ATOM 0 HE ARG A 32 6.341 -2.646 6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.709 -0.386 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.196 0.946 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.602 -0.885 4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.445 0.665 4.924 1.00 0.00 H new ATOM 506 N LEU A 33 10.427 -5.617 10.479 1.00 0.00 N ATOM 507 CA LEU A 33 11.837 -5.352 10.607 1.00 0.00 C ATOM 508 C LEU A 33 11.993 -4.000 11.319 1.00 0.00 C ATOM 509 O LEU A 33 11.328 -3.783 12.331 1.00 0.00 O ATOM 510 CB LEU A 33 12.478 -5.485 9.222 1.00 0.00 C ATOM 511 CG LEU A 33 12.305 -6.850 8.508 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.943 -7.999 9.299 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.876 -7.258 8.126 1.00 0.00 C ATOM 0 H LEU A 33 10.170 -6.560 10.771 1.00 0.00 H new ATOM 0 HA LEU A 33 12.376 -6.067 11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.064 -4.709 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.545 -5.284 9.319 1.00 0.00 H new ATOM 0 HG LEU A 33 12.827 -6.676 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.797 -8.936 8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.010 -7.811 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.476 -8.068 10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.894 -8.231 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.262 -7.317 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.455 -6.516 7.447 1.00 0.00 H new ATOM 525 N THR A 34 12.825 -3.090 10.811 1.00 0.00 N ATOM 526 CA THR A 34 12.985 -1.758 11.389 1.00 0.00 C ATOM 527 C THR A 34 12.397 -0.706 10.439 1.00 0.00 C ATOM 528 O THR A 34 13.106 -0.035 9.698 1.00 0.00 O ATOM 529 CB THR A 34 14.441 -1.557 11.834 1.00 0.00 C ATOM 530 OG1 THR A 34 14.589 -0.377 12.596 1.00 0.00 O ATOM 531 CG2 THR A 34 15.447 -1.559 10.683 1.00 0.00 C ATOM 0 H THR A 34 13.405 -3.256 9.989 1.00 0.00 H new ATOM 0 HA THR A 34 12.409 -1.637 12.306 1.00 0.00 H new ATOM 0 HB THR A 34 14.669 -2.424 12.454 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.727 0.085 12.654 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.452 -1.412 11.078 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.399 -2.514 10.160 1.00 0.00 H new ATOM 0 HG23 THR A 34 15.208 -0.753 9.989 1.00 0.00 H new ATOM 539 N PHE A 35 11.064 -0.601 10.488 1.00 0.00 N ATOM 540 CA PHE A 35 10.203 0.423 9.882 1.00 0.00 C ATOM 541 C PHE A 35 10.885 1.209 8.751 1.00 0.00 C ATOM 542 O PHE A 35 11.290 2.356 8.923 1.00 0.00 O ATOM 543 CB PHE A 35 9.602 1.323 10.981 1.00 0.00 C ATOM 544 CG PHE A 35 10.390 1.363 12.280 1.00 0.00 C ATOM 545 CD1 PHE A 35 11.679 1.926 12.298 1.00 0.00 C ATOM 546 CD2 PHE A 35 9.902 0.703 13.424 1.00 0.00 C ATOM 547 CE1 PHE A 35 12.474 1.836 13.454 1.00 0.00 C ATOM 548 CE2 PHE A 35 10.692 0.621 14.584 1.00 0.00 C ATOM 549 CZ PHE A 35 11.979 1.186 14.598 1.00 0.00 C ATOM 0 H PHE A 35 10.511 -1.291 10.997 1.00 0.00 H new ATOM 0 HA PHE A 35 9.380 -0.088 9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.518 2.338 10.593 1.00 0.00 H new ATOM 0 HB3 PHE A 35 8.590 0.980 11.198 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.059 2.429 11.421 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.918 0.258 13.410 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.465 2.266 13.463 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.310 0.124 15.464 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.588 1.121 15.488 1.00 0.00 H new ATOM 559 N ASN A 36 10.995 0.557 7.591 1.00 0.00 N ATOM 560 CA ASN A 36 11.819 0.959 6.463 1.00 0.00 C ATOM 561 C ASN A 36 10.947 1.748 5.474 1.00 0.00 C ATOM 562 O ASN A 36 10.578 2.879 5.776 1.00 0.00 O ATOM 563 CB ASN A 36 12.563 -0.269 5.870 1.00 0.00 C ATOM 564 CG ASN A 36 12.758 -1.431 6.851 1.00 0.00 C ATOM 565 OD1 ASN A 36 11.661 -2.134 7.146 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 13.858 -1.759 7.285 1.00 0.00 N flip ATOM 0 H ASN A 36 10.484 -0.307 7.410 1.00 0.00 H new ATOM 0 HA ASN A 36 12.619 1.634 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.008 -0.631 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.540 0.053 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.684 -1.209 7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.946 -2.581 7.882 1.00 0.00 H new ATOM 573 N LYS A 37 10.563 1.183 4.321 1.00 0.00 N ATOM 574 CA LYS A 37 9.786 1.865 3.298 1.00 0.00 C ATOM 575 C LYS A 37 9.338 0.797 2.296 1.00 0.00 C ATOM 576 O LYS A 37 9.833 -0.330 2.334 1.00 0.00 O ATOM 577 CB LYS A 37 10.640 2.966 2.628 1.00 0.00 C ATOM 578 CG LYS A 37 9.799 3.962 1.818 1.00 0.00 C ATOM 579 CD LYS A 37 10.654 5.091 1.233 1.00 0.00 C ATOM 580 CE LYS A 37 9.769 6.026 0.398 1.00 0.00 C ATOM 581 NZ LYS A 37 10.575 6.993 -0.367 1.00 0.00 N ATOM 0 H LYS A 37 10.793 0.220 4.077 1.00 0.00 H new ATOM 0 HA LYS A 37 8.914 2.364 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.195 3.506 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.375 2.500 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.292 3.435 1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.025 4.387 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.135 5.650 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.448 4.676 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.160 5.436 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.083 6.561 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.945 7.609 -0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.138 7.572 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.212 6.482 -1.011 1.00 0.00 H new ATOM 595 N VAL A 38 8.403 1.147 1.414 1.00 0.00 N ATOM 596 CA VAL A 38 8.004 0.360 0.259 1.00 0.00 C ATOM 597 C VAL A 38 8.671 0.955 -0.984 1.00 0.00 C ATOM 598 O VAL A 38 8.754 2.179 -1.098 1.00 0.00 O ATOM 599 CB VAL A 38 6.463 0.323 0.200 1.00 0.00 C ATOM 600 CG1 VAL A 38 5.831 1.719 0.079 1.00 0.00 C ATOM 601 CG2 VAL A 38 5.930 -0.569 -0.923 1.00 0.00 C ATOM 0 H VAL A 38 7.885 2.022 1.492 1.00 0.00 H new ATOM 0 HA VAL A 38 8.334 -0.677 0.322 1.00 0.00 H new ATOM 0 HB VAL A 38 6.167 -0.108 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.746 1.625 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.114 2.322 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.185 2.201 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.840 -0.554 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.289 -0.199 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.280 -1.590 -0.774 1.00 0.00 H new ATOM 611 N ILE A 39 9.182 0.119 -1.895 1.00 0.00 N ATOM 612 CA ILE A 39 9.731 0.637 -3.148 1.00 0.00 C ATOM 613 C ILE A 39 8.599 1.253 -3.977 1.00 0.00 C ATOM 614 O ILE A 39 7.423 1.021 -3.701 1.00 0.00 O ATOM 615 CB ILE A 39 10.518 -0.440 -3.924 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.621 -1.539 -4.512 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.573 -1.098 -3.024 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.180 -1.276 -5.955 1.00 0.00 C ATOM 0 H ILE A 39 9.226 -0.895 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 39 10.457 1.418 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 39 10.995 0.084 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.154 -2.489 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.735 -1.645 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.115 -1.854 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.271 -0.341 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.082 -1.568 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.550 -2.097 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.617 -0.343 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.058 -1.201 -6.596 1.00 0.00 H new ATOM 630 N ARG A 40 8.934 2.024 -5.013 1.00 0.00 N ATOM 631 CA ARG A 40 7.963 2.550 -5.955 1.00 0.00 C ATOM 632 C ARG A 40 8.608 2.600 -7.341 1.00 0.00 C ATOM 633 O ARG A 40 9.837 2.591 -7.423 1.00 0.00 O ATOM 634 CB ARG A 40 7.487 3.949 -5.517 1.00 0.00 C ATOM 635 CG ARG A 40 6.111 3.939 -4.828 1.00 0.00 C ATOM 636 CD ARG A 40 6.165 3.807 -3.299 1.00 0.00 C ATOM 637 NE ARG A 40 5.539 4.969 -2.646 1.00 0.00 N ATOM 638 CZ ARG A 40 6.082 6.192 -2.565 1.00 0.00 C ATOM 639 NH1 ARG A 40 7.343 6.399 -2.962 1.00 0.00 N ATOM 640 NH2 ARG A 40 5.354 7.212 -2.099 1.00 0.00 N ATOM 0 H ARG A 40 9.895 2.299 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 40 7.087 1.902 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.223 4.378 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.443 4.600 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.585 4.859 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.523 3.114 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.655 2.894 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.202 3.718 -2.975 1.00 0.00 H new ATOM 0 HE ARG A 40 4.621 4.833 -2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.896 5.624 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.751 7.332 -2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.389 7.058 -1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.764 8.144 -2.036 1.00 0.00 H new ATOM 654 N PRO A 41 7.809 2.688 -8.419 1.00 0.00 N ATOM 655 CA PRO A 41 6.351 2.621 -8.414 1.00 0.00 C ATOM 656 C PRO A 41 5.872 1.191 -8.121 1.00 0.00 C ATOM 657 O PRO A 41 6.625 0.238 -8.302 1.00 0.00 O ATOM 658 CB PRO A 41 5.928 3.102 -9.805 1.00 0.00 C ATOM 659 CG PRO A 41 7.103 2.683 -10.690 1.00 0.00 C ATOM 660 CD PRO A 41 8.313 2.858 -9.770 1.00 0.00 C ATOM 0 HA PRO A 41 5.906 3.239 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.996 2.637 -10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.771 4.180 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.003 1.653 -11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.180 3.308 -11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.085 2.122 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.763 3.842 -9.899 1.00 0.00 H new ATOM 668 N CYS A 42 4.638 1.061 -7.625 1.00 0.00 N ATOM 669 CA CYS A 42 3.985 -0.212 -7.310 1.00 0.00 C ATOM 670 C CYS A 42 2.708 -0.320 -8.156 1.00 0.00 C ATOM 671 O CYS A 42 2.443 0.586 -8.950 1.00 0.00 O ATOM 672 CB CYS A 42 3.741 -0.322 -5.793 1.00 0.00 C ATOM 673 SG CYS A 42 5.261 -0.898 -4.985 1.00 0.00 S ATOM 0 H CYS A 42 4.046 1.867 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 42 4.620 -1.060 -7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.444 0.646 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.924 -1.015 -5.593 1.00 0.00 H new ATOM 0 HG CYS A 42 5.932 0.124 -4.544 1.00 0.00 H new ATOM 679 N MET A 43 1.921 -1.400 -8.037 1.00 0.00 N ATOM 680 CA MET A 43 0.827 -1.661 -8.977 1.00 0.00 C ATOM 681 C MET A 43 -0.384 -2.271 -8.264 1.00 0.00 C ATOM 682 O MET A 43 -0.259 -2.779 -7.149 1.00 0.00 O ATOM 683 CB MET A 43 1.354 -2.582 -10.091 1.00 0.00 C ATOM 684 CG MET A 43 0.707 -2.268 -11.441 1.00 0.00 C ATOM 685 SD MET A 43 1.287 -3.290 -12.817 1.00 0.00 S ATOM 686 CE MET A 43 0.611 -2.343 -14.199 1.00 0.00 C ATOM 0 H MET A 43 2.023 -2.101 -7.303 1.00 0.00 H new ATOM 0 HA MET A 43 0.485 -0.723 -9.415 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.435 -2.472 -10.172 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.158 -3.621 -9.827 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.372 -2.388 -11.347 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.891 -1.221 -11.682 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.781 -2.885 -15.129 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.460 -2.200 -14.053 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.103 -1.372 -14.250 1.00 0.00 H new ATOM 696 N LYS A 44 -1.569 -2.231 -8.886 1.00 0.00 N ATOM 697 CA LYS A 44 -2.750 -2.840 -8.296 1.00 0.00 C ATOM 698 C LYS A 44 -3.702 -3.302 -9.389 1.00 0.00 C ATOM 699 O LYS A 44 -3.558 -2.892 -10.541 1.00 0.00 O ATOM 700 CB LYS A 44 -3.384 -1.854 -7.307 1.00 0.00 C ATOM 701 CG LYS A 44 -4.285 -0.784 -7.937 1.00 0.00 C ATOM 702 CD LYS A 44 -5.772 -1.144 -7.761 1.00 0.00 C ATOM 703 CE LYS A 44 -6.545 -0.690 -9.004 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.979 -1.002 -8.899 1.00 0.00 N ATOM 0 H LYS A 44 -1.727 -1.785 -9.790 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.483 -3.733 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.970 -2.418 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.587 -1.356 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.084 0.183 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.053 -0.686 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.885 -2.219 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.174 -0.661 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.416 0.384 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.131 -1.176 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.240 -1.686 -9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.178 -1.409 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.534 -0.131 -9.022 1.00 0.00 H new ATOM 718 N LYS A 45 -4.662 -4.157 -9.034 1.00 0.00 N ATOM 719 CA LYS A 45 -5.614 -4.726 -9.973 1.00 0.00 C ATOM 720 C LYS A 45 -6.882 -5.128 -9.220 1.00 0.00 C ATOM 721 O LYS A 45 -6.946 -4.999 -7.995 1.00 0.00 O ATOM 722 CB LYS A 45 -4.954 -5.927 -10.670 1.00 0.00 C ATOM 723 CG LYS A 45 -4.744 -7.119 -9.715 1.00 0.00 C ATOM 724 CD LYS A 45 -5.641 -8.309 -10.076 1.00 0.00 C ATOM 725 CE LYS A 45 -4.866 -9.343 -10.904 1.00 0.00 C ATOM 726 NZ LYS A 45 -5.733 -10.452 -11.338 1.00 0.00 N ATOM 0 H LYS A 45 -4.797 -4.474 -8.074 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.897 -4.000 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.574 -6.242 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.992 -5.621 -11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.700 -7.429 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.952 -6.805 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.019 -8.775 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.507 -7.960 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.431 -8.858 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.039 -9.737 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.176 -11.131 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.129 -10.930 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.508 -10.079 -11.923 1.00 0.00 H new ATOM 740 N THR A 46 -7.871 -5.655 -9.942 1.00 0.00 N ATOM 741 CA THR A 46 -9.026 -6.308 -9.351 1.00 0.00 C ATOM 742 C THR A 46 -9.030 -7.760 -9.819 1.00 0.00 C ATOM 743 O THR A 46 -9.100 -8.034 -11.017 1.00 0.00 O ATOM 744 CB THR A 46 -10.303 -5.523 -9.676 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.343 -5.877 -8.785 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.783 -5.695 -11.116 1.00 0.00 C ATOM 0 H THR A 46 -7.888 -5.638 -10.962 1.00 0.00 H new ATOM 0 HA THR A 46 -8.979 -6.319 -8.262 1.00 0.00 H new ATOM 0 HB THR A 46 -10.042 -4.472 -9.555 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.150 -5.366 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.690 -5.110 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.009 -5.350 -11.801 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.993 -6.747 -11.306 1.00 0.00 H new ATOM 754 N ILE A 47 -8.877 -8.699 -8.889 1.00 0.00 N ATOM 755 CA ILE A 47 -8.962 -10.116 -9.238 1.00 0.00 C ATOM 756 C ILE A 47 -10.422 -10.529 -9.460 1.00 0.00 C ATOM 757 O ILE A 47 -11.336 -10.004 -8.824 1.00 0.00 O ATOM 758 CB ILE A 47 -8.233 -10.988 -8.203 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.473 -12.486 -8.474 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.670 -10.587 -6.799 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.510 -13.389 -7.693 1.00 0.00 C ATOM 0 H ILE A 47 -8.696 -8.510 -7.903 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.445 -10.280 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.159 -10.822 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.499 -12.740 -8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.363 -12.681 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.152 -11.206 -6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.425 -9.539 -6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.746 -10.729 -6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.724 -14.433 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.483 -13.158 -7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.637 -13.218 -6.624 1.00 0.00 H new ATOM 773 N TYR A 48 -10.619 -11.481 -10.377 1.00 0.00 N ATOM 774 CA TYR A 48 -11.883 -12.050 -10.777 1.00 0.00 C ATOM 775 C TYR A 48 -11.928 -13.530 -10.409 1.00 0.00 C ATOM 776 O TYR A 48 -10.986 -14.095 -9.856 1.00 0.00 O ATOM 777 CB TYR A 48 -12.001 -11.880 -12.299 1.00 0.00 C ATOM 778 CG TYR A 48 -11.919 -10.455 -12.785 1.00 0.00 C ATOM 779 CD1 TYR A 48 -12.738 -9.493 -12.183 1.00 0.00 C ATOM 780 CD2 TYR A 48 -11.095 -10.104 -13.871 1.00 0.00 C ATOM 781 CE1 TYR A 48 -12.788 -8.188 -12.699 1.00 0.00 C ATOM 782 CE2 TYR A 48 -11.112 -8.789 -14.362 1.00 0.00 C ATOM 783 CZ TYR A 48 -11.964 -7.834 -13.783 1.00 0.00 C ATOM 784 OH TYR A 48 -11.999 -6.568 -14.281 1.00 0.00 O ATOM 0 H TYR A 48 -9.838 -11.894 -10.887 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.709 -11.551 -10.270 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.210 -12.458 -12.777 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.950 -12.306 -12.625 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.333 -9.755 -11.320 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.452 -10.844 -14.325 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.456 -7.459 -12.265 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.470 -8.512 -15.185 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.368 -6.492 -15.027 1.00 0.00 H new ATOM 923 N LYS A 57 -13.155 -12.100 -5.675 1.00 0.00 N ATOM 924 CA LYS A 57 -12.438 -11.653 -4.492 1.00 0.00 C ATOM 925 C LYS A 57 -12.633 -10.141 -4.326 1.00 0.00 C ATOM 926 O LYS A 57 -13.338 -9.713 -3.414 1.00 0.00 O ATOM 927 CB LYS A 57 -10.959 -12.043 -4.633 1.00 0.00 C ATOM 928 CG LYS A 57 -10.673 -13.490 -4.210 1.00 0.00 C ATOM 929 CD LYS A 57 -10.137 -13.536 -2.773 1.00 0.00 C ATOM 930 CE LYS A 57 -9.837 -14.981 -2.359 1.00 0.00 C ATOM 931 NZ LYS A 57 -9.167 -15.034 -1.047 1.00 0.00 N ATOM 0 HA LYS A 57 -12.824 -12.132 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.651 -11.907 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.353 -11.368 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.585 -14.083 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.947 -13.937 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.232 -12.934 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.868 -13.100 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.766 -15.550 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.206 -15.454 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.977 -16.025 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.270 -14.510 -1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.781 -14.604 -0.326 1.00 0.00 H new ATOM 945 N GLY A 58 -12.037 -9.332 -5.212 1.00 0.00 N ATOM 946 CA GLY A 58 -12.106 -7.877 -5.153 1.00 0.00 C ATOM 947 C GLY A 58 -10.777 -7.247 -5.557 1.00 0.00 C ATOM 948 O GLY A 58 -10.058 -7.786 -6.403 1.00 0.00 O ATOM 0 H GLY A 58 -11.488 -9.680 -5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.897 -7.520 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.369 -7.563 -4.143 1.00 0.00 H new ATOM 952 N TYR A 59 -10.460 -6.097 -4.956 1.00 0.00 N ATOM 953 CA TYR A 59 -9.219 -5.387 -5.250 1.00 0.00 C ATOM 954 C TYR A 59 -8.063 -6.157 -4.658 1.00 0.00 C ATOM 955 O TYR A 59 -8.203 -6.718 -3.575 1.00 0.00 O ATOM 956 CB TYR A 59 -9.225 -3.925 -4.740 1.00 0.00 C ATOM 957 CG TYR A 59 -10.224 -3.097 -5.524 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.946 -2.821 -6.875 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.524 -2.891 -5.024 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.966 -2.358 -7.726 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.544 -2.425 -5.874 1.00 0.00 C ATOM 962 CZ TYR A 59 -12.269 -2.184 -7.233 1.00 0.00 C ATOM 963 OH TYR A 59 -13.262 -1.779 -8.075 1.00 0.00 O ATOM 0 H TYR A 59 -11.050 -5.639 -4.261 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.115 -5.326 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.478 -3.904 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.229 -3.494 -4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.947 -2.965 -7.260 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.739 -3.091 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.746 -2.136 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.536 -2.253 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.104 -1.708 -7.578 1.00 0.00 H new ATOM 973 N GLU A 60 -6.935 -6.181 -5.363 1.00 0.00 N ATOM 974 CA GLU A 60 -5.688 -6.656 -4.839 1.00 0.00 C ATOM 975 C GLU A 60 -4.633 -5.620 -5.199 1.00 0.00 C ATOM 976 O GLU A 60 -4.556 -5.174 -6.346 1.00 0.00 O ATOM 977 CB GLU A 60 -5.366 -8.018 -5.441 1.00 0.00 C ATOM 978 CG GLU A 60 -5.957 -9.147 -4.582 1.00 0.00 C ATOM 979 CD GLU A 60 -5.706 -10.541 -5.151 1.00 0.00 C ATOM 980 OE1 GLU A 60 -5.194 -10.624 -6.288 1.00 0.00 O ATOM 981 OE2 GLU A 60 -6.047 -11.504 -4.431 1.00 0.00 O ATOM 0 H GLU A 60 -6.876 -5.862 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.726 -6.784 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.766 -8.077 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.286 -8.141 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.532 -9.091 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.031 -8.992 -4.482 1.00 0.00 H new ATOM 988 N TYR A 61 -3.833 -5.242 -4.207 1.00 0.00 N ATOM 989 CA TYR A 61 -2.699 -4.353 -4.392 1.00 0.00 C ATOM 990 C TYR A 61 -1.451 -5.220 -4.388 1.00 0.00 C ATOM 991 O TYR A 61 -1.390 -6.159 -3.594 1.00 0.00 O ATOM 992 CB TYR A 61 -2.651 -3.313 -3.271 1.00 0.00 C ATOM 993 CG TYR A 61 -3.899 -2.456 -3.162 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.127 -1.412 -4.072 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.795 -2.629 -2.096 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.355 -0.732 -4.059 1.00 0.00 C ATOM 997 CE2 TYR A 61 -5.916 -1.803 -1.969 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.264 -0.934 -3.013 1.00 0.00 C ATOM 999 OH TYR A 61 -7.474 -0.309 -3.023 1.00 0.00 O ATOM 0 H TYR A 61 -3.958 -5.550 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.777 -3.806 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.492 -3.825 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.791 -2.663 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.360 -1.133 -4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.617 -3.406 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.600 -0.050 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.512 -1.834 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.144 -0.886 -2.601 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.481 -4.918 -5.256 1.00 0.00 N ATOM 1010 CA GLN A 62 0.819 -5.561 -5.263 1.00 0.00 C ATOM 1011 C GLN A 62 1.873 -4.487 -5.041 1.00 0.00 C ATOM 1012 O GLN A 62 2.098 -3.627 -5.896 1.00 0.00 O ATOM 1013 CB GLN A 62 1.037 -6.278 -6.594 1.00 0.00 C ATOM 1014 CG GLN A 62 2.340 -7.095 -6.600 1.00 0.00 C ATOM 1015 CD GLN A 62 3.238 -6.698 -7.766 1.00 0.00 C ATOM 1016 OE1 GLN A 62 4.266 -6.061 -7.574 1.00 0.00 O ATOM 1017 NE2 GLN A 62 2.855 -7.061 -8.987 1.00 0.00 N ATOM 0 H GLN A 62 -0.587 -4.208 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 62 0.886 -6.308 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.193 -6.939 -6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.064 -5.545 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.872 -6.943 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.105 -8.157 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.993 -7.591 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.423 -6.809 -9.796 1.00 0.00 H new ATOM 1026 N LEU A 63 2.520 -4.545 -3.881 1.00 0.00 N ATOM 1027 CA LEU A 63 3.590 -3.643 -3.540 1.00 0.00 C ATOM 1028 C LEU A 63 4.717 -4.438 -2.893 1.00 0.00 C ATOM 1029 O LEU A 63 4.528 -5.584 -2.487 1.00 0.00 O ATOM 1030 CB LEU A 63 3.040 -2.450 -2.741 1.00 0.00 C ATOM 1031 CG LEU A 63 2.235 -2.800 -1.479 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.152 -3.006 -0.266 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.240 -1.677 -1.168 1.00 0.00 C ATOM 0 H LEU A 63 2.307 -5.227 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 63 4.038 -3.181 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.877 -1.816 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.406 -1.858 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 63 1.703 -3.731 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.549 -3.252 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.846 -3.821 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.713 -2.091 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.673 -1.931 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.782 -0.746 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.556 -1.554 -2.008 1.00 0.00 H new ATOM 1045 N TYR A 64 5.909 -3.851 -2.877 1.00 0.00 N ATOM 1046 CA TYR A 64 7.145 -4.518 -2.530 1.00 0.00 C ATOM 1047 C TYR A 64 7.765 -3.769 -1.353 1.00 0.00 C ATOM 1048 O TYR A 64 8.341 -2.691 -1.527 1.00 0.00 O ATOM 1049 CB TYR A 64 8.025 -4.498 -3.781 1.00 0.00 C ATOM 1050 CG TYR A 64 7.762 -5.620 -4.768 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.026 -6.951 -4.400 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.367 -5.333 -6.090 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.902 -7.986 -5.341 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.264 -6.368 -7.035 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.515 -7.696 -6.658 1.00 0.00 C ATOM 1056 OH TYR A 64 7.419 -8.694 -7.581 1.00 0.00 O ATOM 0 H TYR A 64 6.039 -2.867 -3.114 1.00 0.00 H new ATOM 0 HA TYR A 64 7.008 -5.555 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.884 -3.545 -4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.070 -4.543 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.326 -7.179 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.143 -4.316 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.105 -9.006 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.991 -6.140 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 64 7.138 -8.318 -8.441 1.00 0.00 H new ATOM 1066 N VAL A 65 7.595 -4.316 -0.145 1.00 0.00 N ATOM 1067 CA VAL A 65 8.024 -3.654 1.074 1.00 0.00 C ATOM 1068 C VAL A 65 9.512 -3.954 1.288 1.00 0.00 C ATOM 1069 O VAL A 65 9.932 -5.115 1.279 1.00 0.00 O ATOM 1070 CB VAL A 65 7.064 -3.963 2.238 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.215 -5.354 2.851 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.184 -2.903 3.337 1.00 0.00 C ATOM 0 H VAL A 65 7.158 -5.225 0.007 1.00 0.00 H new ATOM 0 HA VAL A 65 7.958 -2.568 1.003 1.00 0.00 H new ATOM 0 HB VAL A 65 6.072 -3.941 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.496 -5.474 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.031 -6.110 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.226 -5.472 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.497 -3.141 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.205 -2.888 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.935 -1.924 2.927 1.00 0.00 H new ATOM 1082 N TYR A 66 10.325 -2.898 1.389 1.00 0.00 N ATOM 1083 CA TYR A 66 11.777 -2.988 1.338 1.00 0.00 C ATOM 1084 C TYR A 66 12.329 -3.092 2.750 1.00 0.00 C ATOM 1085 O TYR A 66 12.968 -2.170 3.256 1.00 0.00 O ATOM 1086 CB TYR A 66 12.334 -1.770 0.585 1.00 0.00 C ATOM 1087 CG TYR A 66 13.692 -2.013 -0.043 1.00 0.00 C ATOM 1088 CD1 TYR A 66 13.859 -3.108 -0.904 1.00 0.00 C ATOM 1089 CD2 TYR A 66 14.803 -1.221 0.298 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.128 -3.442 -1.399 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.078 -1.555 -0.193 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.242 -2.680 -1.022 1.00 0.00 C ATOM 1093 OH TYR A 66 17.485 -3.076 -1.410 1.00 0.00 O ATOM 0 H TYR A 66 9.982 -1.945 1.510 1.00 0.00 H new ATOM 0 HA TYR A 66 12.086 -3.883 0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.629 -1.482 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.407 -0.929 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.002 -3.700 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.677 -0.358 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.246 -4.282 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.932 -0.947 0.067 1.00 0.00 H new ATOM 0 HH TYR A 66 18.044 -3.220 -0.618 1.00 0.00 H new ATOM 1103 N ALA A 67 12.040 -4.209 3.412 1.00 0.00 N ATOM 1104 CA ALA A 67 12.289 -4.340 4.834 1.00 0.00 C ATOM 1105 C ALA A 67 13.561 -5.139 5.064 1.00 0.00 C ATOM 1106 O ALA A 67 13.854 -6.057 4.307 1.00 0.00 O ATOM 1107 CB ALA A 67 11.056 -4.905 5.542 1.00 0.00 C ATOM 0 H ALA A 67 11.631 -5.037 2.979 1.00 0.00 H new ATOM 0 HA ALA A 67 12.460 -3.361 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.259 -4.997 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.210 -4.234 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.819 -5.887 5.132 1.00 0.00 H new ATOM 1113 N SER A 68 14.365 -4.763 6.063 1.00 0.00 N ATOM 1114 CA SER A 68 15.675 -5.370 6.293 1.00 0.00 C ATOM 1115 C SER A 68 16.570 -5.342 5.042 1.00 0.00 C ATOM 1116 O SER A 68 17.470 -6.172 4.924 1.00 0.00 O ATOM 1117 CB SER A 68 15.535 -6.784 6.886 1.00 0.00 C ATOM 1118 OG SER A 68 16.789 -7.360 7.197 1.00 0.00 O ATOM 0 H SER A 68 14.125 -4.031 6.732 1.00 0.00 H new ATOM 0 HA SER A 68 16.188 -4.756 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.924 -6.739 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.009 -7.423 6.177 1.00 0.00 H new ATOM 0 HG SER A 68 17.487 -6.935 6.657 1.00 0.00 H new ATOM 1124 N ASP A 69 16.329 -4.413 4.108 1.00 0.00 N ATOM 1125 CA ASP A 69 16.995 -4.380 2.809 1.00 0.00 C ATOM 1126 C ASP A 69 16.835 -5.712 2.056 1.00 0.00 C ATOM 1127 O ASP A 69 17.706 -6.100 1.281 1.00 0.00 O ATOM 1128 CB ASP A 69 18.460 -3.945 2.998 1.00 0.00 C ATOM 1129 CG ASP A 69 19.202 -3.679 1.691 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.729 -2.803 0.935 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.251 -4.324 1.483 1.00 0.00 O ATOM 0 H ASP A 69 15.658 -3.656 4.239 1.00 0.00 H new ATOM 0 HA ASP A 69 16.516 -3.639 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.484 -3.042 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.989 -4.719 3.553 1.00 0.00 H new ATOM 1136 N LYS A 70 15.708 -6.400 2.265 1.00 0.00 N ATOM 1137 CA LYS A 70 15.253 -7.508 1.443 1.00 0.00 C ATOM 1138 C LYS A 70 13.985 -7.008 0.761 1.00 0.00 C ATOM 1139 O LYS A 70 13.333 -6.076 1.238 1.00 0.00 O ATOM 1140 CB LYS A 70 14.923 -8.763 2.265 1.00 0.00 C ATOM 1141 CG LYS A 70 16.126 -9.619 2.681 1.00 0.00 C ATOM 1142 CD LYS A 70 16.898 -9.005 3.851 1.00 0.00 C ATOM 1143 CE LYS A 70 17.703 -10.075 4.598 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.354 -9.514 5.794 1.00 0.00 N ATOM 0 H LYS A 70 15.074 -6.189 3.036 1.00 0.00 H new ATOM 0 HA LYS A 70 16.037 -7.801 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.390 -8.456 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.240 -9.385 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.782 -10.615 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.796 -9.739 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.570 -8.230 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.202 -8.522 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.043 -10.892 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.458 -10.496 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.521 -10.272 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.262 -9.084 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.739 -8.789 6.216 1.00 0.00 H new ATOM 1158 N LEU A 71 13.643 -7.630 -0.362 1.00 0.00 N ATOM 1159 CA LEU A 71 12.490 -7.270 -1.153 1.00 0.00 C ATOM 1160 C LEU A 71 11.370 -8.218 -0.713 1.00 0.00 C ATOM 1161 O LEU A 71 11.348 -9.384 -1.095 1.00 0.00 O ATOM 1162 CB LEU A 71 12.912 -7.364 -2.634 1.00 0.00 C ATOM 1163 CG LEU A 71 12.455 -6.176 -3.492 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.426 -5.943 -4.651 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.062 -6.449 -4.033 1.00 0.00 C ATOM 0 H LEU A 71 14.174 -8.411 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 71 12.117 -6.255 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.998 -7.440 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.507 -8.282 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 71 12.438 -5.280 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.085 -5.097 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.420 -5.731 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.467 -6.835 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.737 -5.606 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.079 -7.352 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.369 -6.585 -3.202 1.00 0.00 H new ATOM 1177 N PHE A 72 10.469 -7.768 0.162 1.00 0.00 N ATOM 1178 CA PHE A 72 9.371 -8.600 0.626 1.00 0.00 C ATOM 1179 C PHE A 72 8.147 -8.264 -0.225 1.00 0.00 C ATOM 1180 O PHE A 72 7.656 -7.135 -0.193 1.00 0.00 O ATOM 1181 CB PHE A 72 9.150 -8.355 2.120 1.00 0.00 C ATOM 1182 CG PHE A 72 10.223 -8.934 3.023 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.308 -10.321 3.242 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.088 -8.069 3.713 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.263 -10.833 4.141 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.033 -8.575 4.628 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.128 -9.963 4.828 1.00 0.00 C ATOM 0 H PHE A 72 10.483 -6.829 0.561 1.00 0.00 H new ATOM 0 HA PHE A 72 9.583 -9.663 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.090 -7.281 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.187 -8.778 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.641 -10.992 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.028 -7.005 3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.331 -11.898 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.679 -7.901 5.171 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.865 -10.361 5.509 1.00 0.00 H new ATOM 1197 N ARG A 73 7.668 -9.231 -1.012 1.00 0.00 N ATOM 1198 CA ARG A 73 6.467 -9.057 -1.804 1.00 0.00 C ATOM 1199 C ARG A 73 5.303 -8.964 -0.831 1.00 0.00 C ATOM 1200 O ARG A 73 5.139 -9.851 0.005 1.00 0.00 O ATOM 1201 CB ARG A 73 6.319 -10.221 -2.789 1.00 0.00 C ATOM 1202 CG ARG A 73 5.221 -9.940 -3.819 1.00 0.00 C ATOM 1203 CD ARG A 73 5.191 -11.082 -4.841 1.00 0.00 C ATOM 1204 NE ARG A 73 4.080 -10.934 -5.787 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.857 -11.759 -6.822 1.00 0.00 C ATOM 1206 NH1 ARG A 73 4.699 -12.768 -7.075 1.00 0.00 N ATOM 1207 NH2 ARG A 73 2.785 -11.573 -7.598 1.00 0.00 N ATOM 0 H ARG A 73 8.105 -10.147 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 73 6.504 -8.150 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.266 -10.390 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.084 -11.135 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.254 -9.852 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.409 -8.991 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.134 -11.106 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.101 -12.035 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 73 3.436 -10.155 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.515 -12.913 -6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.525 -13.392 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.141 -10.807 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.611 -12.197 -8.386 1.00 0.00 H new ATOM 1221 N ALA A 74 4.535 -7.878 -0.878 1.00 0.00 N ATOM 1222 CA ALA A 74 3.566 -7.591 0.156 1.00 0.00 C ATOM 1223 C ALA A 74 2.272 -7.062 -0.442 1.00 0.00 C ATOM 1224 O ALA A 74 2.153 -5.881 -0.752 1.00 0.00 O ATOM 1225 CB ALA A 74 4.214 -6.677 1.198 1.00 0.00 C ATOM 0 H ALA A 74 4.571 -7.186 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 74 3.270 -8.501 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.493 -6.453 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.080 -7.177 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.531 -5.749 0.721 1.00 0.00 H new ATOM 1231 N ASP A 75 1.291 -7.956 -0.588 1.00 0.00 N ATOM 1232 CA ASP A 75 0.060 -7.669 -1.294 1.00 0.00 C ATOM 1233 C ASP A 75 -1.007 -7.336 -0.262 1.00 0.00 C ATOM 1234 O ASP A 75 -0.753 -7.378 0.937 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.340 -8.882 -2.154 1.00 0.00 C ATOM 1236 CG ASP A 75 0.632 -9.193 -3.296 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.655 -8.483 -3.423 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.332 -10.156 -4.034 1.00 0.00 O ATOM 0 H ASP A 75 1.338 -8.904 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 75 0.183 -6.820 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.419 -9.758 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.330 -8.704 -2.574 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.206 -7.005 -0.722 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.411 -6.878 0.089 1.00 0.00 C ATOM 1245 C ILE A 76 -4.524 -7.393 -0.808 1.00 0.00 C ATOM 1246 O ILE A 76 -4.348 -7.386 -2.027 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.675 -5.403 0.428 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.555 -4.747 1.241 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -5.017 -5.119 1.128 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -1.681 -3.896 0.317 1.00 0.00 C ATOM 0 H ILE A 76 -2.373 -6.810 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.332 -7.421 1.031 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.716 -4.953 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.980 -4.126 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.950 -5.511 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.106 -4.050 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.837 -5.440 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.058 -5.665 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.885 -3.430 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.244 -4.529 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.291 -3.122 -0.150 1.00 0.00 H new ATOM 1262 N SER A 77 -5.653 -7.794 -0.221 1.00 0.00 N ATOM 1263 CA SER A 77 -6.885 -8.071 -0.938 1.00 0.00 C ATOM 1264 C SER A 77 -8.028 -7.338 -0.236 1.00 0.00 C ATOM 1265 O SER A 77 -7.954 -7.140 0.977 1.00 0.00 O ATOM 1266 CB SER A 77 -7.117 -9.582 -1.000 1.00 0.00 C ATOM 1267 OG SER A 77 -8.353 -9.906 -1.606 1.00 0.00 O ATOM 0 H SER A 77 -5.731 -7.936 0.786 1.00 0.00 H new ATOM 0 HA SER A 77 -6.828 -7.713 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.306 -10.050 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.089 -9.994 0.009 1.00 0.00 H new ATOM 0 HG SER A 77 -8.462 -10.880 -1.627 1.00 0.00 H new ATOM 1273 N GLU A 78 -9.057 -6.917 -0.983 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.251 -6.275 -0.476 1.00 0.00 C ATOM 1275 C GLU A 78 -11.484 -7.055 -0.928 1.00 0.00 C ATOM 1276 O GLU A 78 -11.433 -7.775 -1.920 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.321 -4.836 -0.992 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.067 -4.054 -0.585 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.253 -2.543 -0.703 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.221 -2.047 -1.850 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.399 -1.899 0.358 1.00 0.00 O ATOM 0 H GLU A 78 -9.069 -7.024 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.220 -6.260 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.418 -4.838 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.208 -4.344 -0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.805 -4.305 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.231 -4.363 -1.212 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.587 -6.887 -0.195 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.828 -7.641 -0.396 1.00 0.00 C ATOM 1290 C ASP A 79 -14.778 -6.955 -1.388 1.00 0.00 C ATOM 1291 O ASP A 79 -15.472 -6.016 -1.001 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.533 -7.849 0.954 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.860 -8.597 0.831 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.066 -9.269 -0.203 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.659 -8.470 1.784 1.00 0.00 O ATOM 0 H ASP A 79 -12.645 -6.212 0.568 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.558 -8.605 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.872 -8.403 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.712 -6.878 1.417 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.854 -7.469 -2.622 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.760 -7.071 -3.704 1.00 0.00 C ATOM 1302 C TYR A 80 -17.126 -6.528 -3.259 1.00 0.00 C ATOM 1303 O TYR A 80 -17.487 -5.424 -3.659 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.952 -8.257 -4.660 1.00 0.00 C ATOM 1305 CG TYR A 80 -17.060 -8.075 -5.684 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -17.100 -6.913 -6.479 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -18.131 -8.988 -5.732 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -18.220 -6.648 -7.287 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -19.239 -8.732 -6.558 1.00 0.00 C ATOM 1310 CZ TYR A 80 -19.293 -7.554 -7.318 1.00 0.00 C ATOM 1311 OH TYR A 80 -20.394 -7.289 -8.076 1.00 0.00 O ATOM 0 H TYR A 80 -14.238 -8.229 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.276 -6.229 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -15.015 -8.437 -5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.163 -9.150 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -16.269 -6.224 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.101 -9.886 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -18.255 -5.748 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.050 -9.443 -6.608 1.00 0.00 H new ATOM 0 HH TYR A 80 -21.039 -8.021 -7.983 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.893 -7.304 -2.478 1.00 0.00 N ATOM 1322 CA LYS A 81 -19.182 -6.920 -1.888 1.00 0.00 C ATOM 1323 C LYS A 81 -19.206 -5.452 -1.442 1.00 0.00 C ATOM 1324 O LYS A 81 -20.228 -4.771 -1.523 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.470 -7.895 -0.730 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.578 -7.478 0.251 1.00 0.00 C ATOM 1327 CD LYS A 81 -19.973 -6.787 1.482 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.058 -6.257 2.426 1.00 0.00 C ATOM 1329 NZ LYS A 81 -20.484 -5.391 3.472 1.00 0.00 N ATOM 0 H LYS A 81 -17.620 -8.255 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.971 -6.993 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.736 -8.863 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.549 -8.037 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.277 -6.804 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.146 -8.355 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.337 -7.491 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.336 -5.963 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.799 -5.698 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.579 -7.094 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.243 -5.048 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -19.795 -5.933 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -20.008 -4.580 3.028 1.00 0.00 H new ATOM 1343 N THR A 82 -18.077 -4.977 -0.926 1.00 0.00 N ATOM 1344 CA THR A 82 -17.838 -3.588 -0.576 1.00 0.00 C ATOM 1345 C THR A 82 -16.373 -3.162 -0.806 1.00 0.00 C ATOM 1346 O THR A 82 -16.038 -2.664 -1.878 1.00 0.00 O ATOM 1347 CB THR A 82 -18.345 -3.375 0.858 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.754 -3.490 0.904 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.982 -1.998 1.385 1.00 0.00 C ATOM 0 H THR A 82 -17.274 -5.576 -0.734 1.00 0.00 H new ATOM 0 HA THR A 82 -18.394 -2.926 -1.240 1.00 0.00 H new ATOM 0 HB THR A 82 -17.870 -4.139 1.474 1.00 0.00 H new ATOM 0 HG1 THR A 82 -20.083 -3.830 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.358 -1.887 2.402 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.898 -1.882 1.385 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.429 -1.235 0.747 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.519 -3.279 0.219 1.00 0.00 N ATOM 1358 CA ARG A 83 -14.165 -2.731 0.285 1.00 0.00 C ATOM 1359 C ARG A 83 -13.576 -3.127 1.645 1.00 0.00 C ATOM 1360 O ARG A 83 -13.129 -2.298 2.433 1.00 0.00 O ATOM 1361 CB ARG A 83 -14.144 -1.207 0.034 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.351 -0.842 -1.226 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.258 0.684 -1.363 1.00 0.00 C ATOM 1364 NE ARG A 83 -12.644 1.079 -2.640 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.288 1.132 -3.815 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -14.559 0.724 -3.907 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -12.653 1.598 -4.894 1.00 0.00 N ATOM 0 H ARG A 83 -15.771 -3.786 1.068 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.546 -3.145 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.166 -0.842 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.706 -0.704 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.351 -1.272 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.835 -1.266 -2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.255 1.117 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.673 1.089 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.656 1.331 -2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.042 0.371 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.045 0.766 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.685 1.910 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.136 1.641 -5.791 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.613 -4.429 1.940 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.925 -4.973 3.101 1.00 0.00 C ATOM 1383 C GLY A 84 -11.415 -4.816 2.935 1.00 0.00 C ATOM 1384 O GLY A 84 -10.962 -4.336 1.901 1.00 0.00 O ATOM 0 H GLY A 84 -14.115 -5.123 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.255 -4.459 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.178 -6.026 3.223 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.626 -5.256 3.916 1.00 0.00 N ATOM 1389 CA ARG A 85 -9.176 -5.254 3.810 1.00 0.00 C ATOM 1390 C ARG A 85 -8.655 -6.508 4.497 1.00 0.00 C ATOM 1391 O ARG A 85 -8.905 -6.693 5.687 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.603 -3.977 4.455 1.00 0.00 C ATOM 1393 CG ARG A 85 -7.627 -3.255 3.519 1.00 0.00 C ATOM 1394 CD ARG A 85 -7.409 -1.803 3.955 1.00 0.00 C ATOM 1395 NE ARG A 85 -6.979 -1.704 5.359 1.00 0.00 N ATOM 1396 CZ ARG A 85 -7.142 -0.617 6.128 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -7.592 0.529 5.603 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -6.862 -0.686 7.432 1.00 0.00 N ATOM 0 H ARG A 85 -10.977 -5.621 4.801 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.862 -5.258 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.420 -3.304 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.093 -4.236 5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.672 -3.781 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.013 -3.277 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.659 -1.341 3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.333 -1.242 3.819 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.526 -2.517 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.815 0.582 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.712 1.349 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.527 -1.561 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.983 0.136 8.024 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.959 -7.368 3.753 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.285 -8.533 4.290 1.00 0.00 C ATOM 1414 C LYS A 86 -5.783 -8.374 4.144 1.00 0.00 C ATOM 1415 O LYS A 86 -5.271 -8.014 3.080 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.769 -9.824 3.624 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.103 -10.316 4.201 1.00 0.00 C ATOM 1418 CD LYS A 86 -8.981 -11.091 5.528 1.00 0.00 C ATOM 1419 CE LYS A 86 -8.729 -10.227 6.778 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.153 -10.928 8.003 1.00 0.00 N ATOM 0 H LYS A 86 -7.851 -7.266 2.744 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.530 -8.610 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.879 -9.657 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.014 -10.600 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.756 -9.457 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.588 -10.957 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.897 -11.662 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.168 -11.811 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.670 -9.980 6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.271 -9.286 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.972 -10.323 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.169 -11.142 7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.618 -11.814 8.099 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.090 -8.660 5.245 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.650 -8.696 5.311 1.00 0.00 C ATOM 1436 C LEU A 87 -3.186 -9.852 4.426 1.00 0.00 C ATOM 1437 O LEU A 87 -3.234 -11.008 4.837 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.272 -8.867 6.794 1.00 0.00 C ATOM 1439 CG LEU A 87 -1.794 -8.607 7.112 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.639 -8.335 8.609 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.886 -9.782 6.727 1.00 0.00 C ATOM 0 H LEU A 87 -5.538 -8.878 6.135 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.166 -7.789 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.883 -8.190 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.524 -9.881 7.105 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.487 -7.745 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.590 -8.150 8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.230 -7.461 8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.987 -9.200 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.147 -9.540 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.192 -10.673 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.967 -9.969 5.656 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.723 -9.521 3.218 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.080 -10.449 2.292 1.00 0.00 C ATOM 1455 C LEU A 88 -0.612 -10.065 2.099 1.00 0.00 C ATOM 1456 O LEU A 88 0.066 -10.546 1.190 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.862 -10.504 0.968 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.191 -11.932 0.504 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -1.939 -12.802 0.321 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.190 -12.612 1.450 1.00 0.00 C ATOM 0 H LEU A 88 -2.788 -8.572 2.849 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.093 -11.456 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.791 -9.945 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.282 -10.004 0.192 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.656 -11.833 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.233 -13.799 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.289 -12.351 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.405 -12.875 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.401 -13.620 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.765 -12.664 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.115 -12.036 1.478 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.118 -9.155 2.937 1.00 0.00 N ATOM 1473 CA ARG A 89 1.274 -8.807 2.930 1.00 0.00 C ATOM 1474 C ARG A 89 2.091 -9.975 3.442 1.00 0.00 C ATOM 1475 O ARG A 89 1.648 -10.801 4.235 1.00 0.00 O ATOM 1476 CB ARG A 89 1.633 -7.548 3.748 1.00 0.00 C ATOM 1477 CG ARG A 89 0.623 -7.080 4.778 1.00 0.00 C ATOM 1478 CD ARG A 89 -0.526 -6.221 4.211 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.118 -4.834 3.922 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.472 -4.374 2.806 1.00 0.00 C ATOM 1481 NH1 ARG A 89 0.664 -5.167 1.742 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.854 -3.093 2.759 1.00 0.00 N ATOM 0 H ARG A 89 -0.676 -8.652 3.627 1.00 0.00 H new ATOM 0 HA ARG A 89 1.510 -8.571 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.576 -7.736 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.807 -6.730 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.196 -7.953 5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.145 -6.505 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.900 -6.682 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.351 -6.211 4.924 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.305 -4.146 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.360 -6.140 1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.114 -4.797 0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.696 -2.484 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.304 -2.725 1.920 1.00 0.00 H new ATOM 1496 N PHE A 90 3.341 -9.887 3.024 1.00 0.00 N ATOM 1497 CA PHE A 90 4.521 -10.561 3.535 1.00 0.00 C ATOM 1498 C PHE A 90 4.628 -11.955 2.927 1.00 0.00 C ATOM 1499 O PHE A 90 4.246 -12.956 3.526 1.00 0.00 O ATOM 1500 CB PHE A 90 4.502 -10.540 5.076 1.00 0.00 C ATOM 1501 CG PHE A 90 5.589 -9.738 5.758 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.789 -10.370 6.132 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.299 -8.444 6.232 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.694 -9.709 6.979 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.188 -7.796 7.105 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.385 -8.432 7.472 1.00 0.00 C ATOM 0 H PHE A 90 3.578 -9.280 2.239 1.00 0.00 H new ATOM 0 HA PHE A 90 5.428 -10.036 3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.537 -10.149 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.564 -11.569 5.431 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.014 -11.362 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.390 -7.949 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.626 -10.183 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.953 -6.815 7.491 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.073 -7.934 8.139 1.00 0.00 H new ATOM 1516 N ASN A 91 5.157 -11.998 1.704 1.00 0.00 N ATOM 1517 CA ASN A 91 5.289 -13.195 0.900 1.00 0.00 C ATOM 1518 C ASN A 91 6.607 -13.134 0.123 1.00 0.00 C ATOM 1519 O ASN A 91 7.276 -12.098 0.090 1.00 0.00 O ATOM 1520 CB ASN A 91 4.076 -13.299 -0.032 1.00 0.00 C ATOM 1521 CG ASN A 91 3.787 -14.742 -0.431 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.373 -15.216 -1.526 1.00 0.00 O flip ATOM 1523 ND2 ASN A 91 3.043 -15.439 0.247 1.00 0.00 N flip ATOM 0 H ASN A 91 5.516 -11.165 1.237 1.00 0.00 H new ATOM 0 HA ASN A 91 5.313 -14.087 1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.201 -12.877 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.254 -12.704 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.605 -15.053 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.862 -16.405 -0.024 1.00 0.00 H new ATOM 1530 N GLY A 92 6.987 -14.253 -0.496 1.00 0.00 N ATOM 1531 CA GLY A 92 8.282 -14.424 -1.134 1.00 0.00 C ATOM 1532 C GLY A 92 9.175 -15.228 -0.187 1.00 0.00 C ATOM 1533 O GLY A 92 8.823 -16.369 0.106 1.00 0.00 O ATOM 0 H GLY A 92 6.389 -15.077 -0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.172 -14.943 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.731 -13.455 -1.350 1.00 0.00 H new ATOM 1537 N PRO A 93 10.285 -14.679 0.336 1.00 0.00 N ATOM 1538 CA PRO A 93 10.826 -13.350 0.066 1.00 0.00 C ATOM 1539 C PRO A 93 11.362 -13.266 -1.366 1.00 0.00 C ATOM 1540 O PRO A 93 11.463 -14.283 -2.050 1.00 0.00 O ATOM 1541 CB PRO A 93 11.952 -13.174 1.090 1.00 0.00 C ATOM 1542 CG PRO A 93 12.454 -14.602 1.302 1.00 0.00 C ATOM 1543 CD PRO A 93 11.164 -15.416 1.227 1.00 0.00 C ATOM 0 HA PRO A 93 10.072 -12.568 0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.740 -12.521 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.588 -12.733 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.168 -14.900 0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.953 -14.719 2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.356 -16.419 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.715 -15.530 2.214 1.00 0.00 H new ATOM 1551 N VAL A 94 11.685 -12.053 -1.827 1.00 0.00 N ATOM 1552 CA VAL A 94 12.225 -11.793 -3.154 1.00 0.00 C ATOM 1553 C VAL A 94 13.640 -11.208 -2.994 1.00 0.00 C ATOM 1554 O VAL A 94 13.840 -10.291 -2.194 1.00 0.00 O ATOM 1555 CB VAL A 94 11.253 -10.873 -3.925 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.809 -10.385 -5.266 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.920 -11.595 -4.152 1.00 0.00 C ATOM 0 H VAL A 94 11.573 -11.207 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 94 12.318 -12.705 -3.744 1.00 0.00 H new ATOM 0 HB VAL A 94 11.108 -9.988 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.074 -9.744 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.726 -9.821 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.023 -11.242 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.240 -10.940 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.092 -12.502 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.480 -11.857 -3.190 1.00 0.00 H new ATOM 1567 N PRO A 95 14.652 -11.737 -3.702 1.00 0.00 N ATOM 1568 CA PRO A 95 15.989 -11.162 -3.684 1.00 0.00 C ATOM 1569 C PRO A 95 15.991 -9.848 -4.477 1.00 0.00 C ATOM 1570 O PRO A 95 15.118 -9.636 -5.317 1.00 0.00 O ATOM 1571 CB PRO A 95 16.885 -12.224 -4.328 1.00 0.00 C ATOM 1572 CG PRO A 95 15.946 -12.918 -5.313 1.00 0.00 C ATOM 1573 CD PRO A 95 14.600 -12.891 -4.588 1.00 0.00 C ATOM 0 HA PRO A 95 16.340 -10.917 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.741 -11.777 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.280 -12.921 -3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.901 -12.391 -6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.268 -13.937 -5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.776 -12.804 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.440 -13.810 -4.024 1.00 0.00 H new ATOM 1581 N PRO A 96 16.957 -8.950 -4.234 1.00 0.00 N ATOM 1582 CA PRO A 96 17.058 -7.703 -4.976 1.00 0.00 C ATOM 1583 C PRO A 96 17.362 -7.971 -6.458 1.00 0.00 C ATOM 1584 O PRO A 96 17.932 -9.011 -6.791 1.00 0.00 O ATOM 1585 CB PRO A 96 18.182 -6.917 -4.292 1.00 0.00 C ATOM 1586 CG PRO A 96 19.062 -8.016 -3.695 1.00 0.00 C ATOM 1587 CD PRO A 96 18.043 -9.076 -3.279 1.00 0.00 C ATOM 0 HA PRO A 96 16.124 -7.141 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.733 -6.301 -5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.796 -6.248 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.775 -8.404 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.640 -7.654 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.479 -10.075 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.694 -8.909 -2.260 1.00 0.00 H new ATOM 1595 N PRO A 97 16.992 -7.046 -7.357 1.00 0.00 N ATOM 1596 CA PRO A 97 17.230 -7.181 -8.785 1.00 0.00 C ATOM 1597 C PRO A 97 18.704 -6.936 -9.134 1.00 0.00 C ATOM 1598 O PRO A 97 19.026 -7.088 -10.333 1.00 0.00 O ATOM 1599 CB PRO A 97 16.317 -6.134 -9.429 1.00 0.00 C ATOM 1600 CG PRO A 97 16.308 -5.015 -8.388 1.00 0.00 C ATOM 1601 CD PRO A 97 16.314 -5.791 -7.070 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.478 -6.575 -8.219 1.00 0.00 O ATOM 0 HA PRO A 97 17.014 -8.187 -9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.706 -5.792 -10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.316 -6.526 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.179 -4.367 -8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.427 -4.380 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 97 16.834 -5.234 -6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.299 -5.967 -6.714 1.00 0.00 H new