USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 28 TYR OH : rot 16:sc= 1.21 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -2.34! C(o=-1.1!,f=-4!) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.269 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0231) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.59 (180deg=-1.1) USER MOD Single : A 4 ASN : amide:sc= 1.61 K(o=1.6,f=-5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= 1.79 (180deg=0.208) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -0.0952 (180deg=-0.352) USER MOD Single : A 23 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.6!) USER MOD Single : A 26 ASN : amide:sc= 0.129 K(o=0.13,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -7.85! C(o=-7.9!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= -0.135 (180deg=-0.219) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc=-0.00339 (180deg=-0.0759) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00423 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.271 K(o=-0.27,f=-5.7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -144:sc= -1.02 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 71 HIS : no HD1:sc=-0.00303 X(o=-0.003,f=-0.003) USER MOD Single : A 72 HIS : no HE2:sc= 0.8 K(o=0.8,f=-4.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.570 -3.433 -1.874 1.00 0.00 N ATOM 2 CA MET A 1 -14.509 -3.709 -2.877 1.00 0.00 C ATOM 3 C MET A 1 -13.142 -3.338 -2.330 1.00 0.00 C ATOM 4 O MET A 1 -12.205 -4.134 -2.385 1.00 0.00 O ATOM 5 CB MET A 1 -14.755 -2.925 -4.168 1.00 0.00 C ATOM 6 CG MET A 1 -16.008 -3.335 -4.915 1.00 0.00 C ATOM 7 SD MET A 1 -16.221 -2.421 -6.452 1.00 0.00 S ATOM 8 CE MET A 1 -14.707 -2.853 -7.306 1.00 0.00 C ATOM 0 H1 MET A 1 -16.482 -3.787 -2.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.336 -3.911 -0.980 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.636 -2.408 -1.711 1.00 0.00 H new ATOM 0 HA MET A 1 -14.538 -4.777 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.819 -1.864 -3.928 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.895 -3.052 -4.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.965 -4.402 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.877 -3.175 -4.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.846 -2.727 -8.380 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.900 -2.204 -6.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.452 -3.891 -7.092 1.00 0.00 H new ATOM 20 N ALA A 2 -13.031 -2.119 -1.812 1.00 0.00 N ATOM 21 CA ALA A 2 -11.785 -1.641 -1.236 1.00 0.00 C ATOM 22 C ALA A 2 -11.396 -2.492 -0.037 1.00 0.00 C ATOM 23 O ALA A 2 -12.171 -2.642 0.909 1.00 0.00 O ATOM 24 CB ALA A 2 -11.913 -0.180 -0.831 1.00 0.00 C ATOM 0 H ALA A 2 -13.795 -1.443 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.001 -1.723 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.971 0.162 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.152 0.421 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.708 -0.075 -0.093 1.00 0.00 H new ATOM 30 N MET A 3 -10.207 -3.067 -0.091 1.00 0.00 N ATOM 31 CA MET A 3 -9.725 -3.921 0.985 1.00 0.00 C ATOM 32 C MET A 3 -8.747 -3.156 1.859 1.00 0.00 C ATOM 33 O MET A 3 -8.104 -2.209 1.399 1.00 0.00 O ATOM 34 CB MET A 3 -9.041 -5.170 0.423 1.00 0.00 C ATOM 35 CG MET A 3 -9.943 -6.024 -0.453 1.00 0.00 C ATOM 36 SD MET A 3 -9.126 -7.526 -1.029 1.00 0.00 S ATOM 37 CE MET A 3 -8.833 -8.364 0.527 1.00 0.00 C ATOM 0 H MET A 3 -9.556 -2.959 -0.869 1.00 0.00 H new ATOM 0 HA MET A 3 -10.582 -4.231 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.170 -4.865 -0.157 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.676 -5.776 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.839 -6.293 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.269 -5.439 -1.313 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.635 -9.420 0.340 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.973 -7.916 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.712 -8.267 1.164 1.00 0.00 H new ATOM 47 N ASN A 4 -8.641 -3.559 3.112 1.00 0.00 N ATOM 48 CA ASN A 4 -7.716 -2.934 4.036 1.00 0.00 C ATOM 49 C ASN A 4 -6.449 -3.767 4.165 1.00 0.00 C ATOM 50 O ASN A 4 -6.486 -4.998 4.099 1.00 0.00 O ATOM 51 CB ASN A 4 -8.358 -2.739 5.418 1.00 0.00 C ATOM 52 CG ASN A 4 -8.795 -4.042 6.070 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.222 -4.983 5.398 1.00 0.00 O ATOM 54 ND2 ASN A 4 -8.700 -4.106 7.390 1.00 0.00 N ATOM 0 H ASN A 4 -9.188 -4.321 3.514 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.458 -1.953 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.648 -2.234 6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.223 -2.083 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.985 -4.953 7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.342 -3.308 7.915 1.00 0.00 H new ATOM 61 N GLY A 5 -5.331 -3.085 4.323 1.00 0.00 N ATOM 62 CA GLY A 5 -4.067 -3.759 4.507 1.00 0.00 C ATOM 63 C GLY A 5 -3.158 -2.996 5.442 1.00 0.00 C ATOM 64 O GLY A 5 -3.377 -1.810 5.698 1.00 0.00 O ATOM 0 H GLY A 5 -5.275 -2.067 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.242 -4.759 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.576 -3.882 3.542 1.00 0.00 H new ATOM 68 N THR A 6 -2.143 -3.669 5.956 1.00 0.00 N ATOM 69 CA THR A 6 -1.197 -3.047 6.860 1.00 0.00 C ATOM 70 C THR A 6 0.164 -2.910 6.188 1.00 0.00 C ATOM 71 O THR A 6 0.659 -3.846 5.556 1.00 0.00 O ATOM 72 CB THR A 6 -1.052 -3.867 8.151 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.340 -4.358 8.550 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.461 -3.024 9.270 1.00 0.00 C ATOM 0 H THR A 6 -1.954 -4.652 5.760 1.00 0.00 H new ATOM 0 HA THR A 6 -1.576 -2.057 7.115 1.00 0.00 H new ATOM 0 HB THR A 6 -0.378 -4.701 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.250 -4.883 9.373 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.369 -3.629 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.524 -2.664 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.113 -2.174 9.468 1.00 0.00 H new ATOM 82 N ILE A 7 0.754 -1.739 6.324 1.00 0.00 N ATOM 83 CA ILE A 7 2.023 -1.433 5.678 1.00 0.00 C ATOM 84 C ILE A 7 3.178 -2.075 6.438 1.00 0.00 C ATOM 85 O ILE A 7 3.446 -1.720 7.590 1.00 0.00 O ATOM 86 CB ILE A 7 2.244 0.089 5.598 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.036 0.758 4.935 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.524 0.402 4.831 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.065 2.268 4.995 1.00 0.00 C ATOM 0 H ILE A 7 0.373 -0.974 6.881 1.00 0.00 H new ATOM 0 HA ILE A 7 1.989 -1.839 4.667 1.00 0.00 H new ATOM 0 HB ILE A 7 2.350 0.485 6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.987 0.446 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.126 0.402 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.665 1.482 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.374 -0.053 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.450 0.001 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.177 2.669 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.082 2.591 6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.957 2.635 4.487 1.00 0.00 H new ATOM 101 N THR A 8 3.857 -3.019 5.797 1.00 0.00 N ATOM 102 CA THR A 8 4.931 -3.747 6.444 1.00 0.00 C ATOM 103 C THR A 8 6.286 -3.329 5.893 1.00 0.00 C ATOM 104 O THR A 8 7.247 -3.147 6.639 1.00 0.00 O ATOM 105 CB THR A 8 4.745 -5.262 6.265 1.00 0.00 C ATOM 106 OG1 THR A 8 4.339 -5.552 4.919 1.00 0.00 O ATOM 107 CG2 THR A 8 3.712 -5.802 7.242 1.00 0.00 C ATOM 0 H THR A 8 3.680 -3.295 4.831 1.00 0.00 H new ATOM 0 HA THR A 8 4.898 -3.507 7.507 1.00 0.00 H new ATOM 0 HB THR A 8 5.699 -5.748 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.224 -6.519 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.599 -6.876 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.041 -5.608 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.755 -5.309 7.069 1.00 0.00 H new ATOM 115 N THR A 9 6.359 -3.179 4.581 1.00 0.00 N ATOM 116 CA THR A 9 7.584 -2.761 3.931 1.00 0.00 C ATOM 117 C THR A 9 7.305 -1.606 2.975 1.00 0.00 C ATOM 118 O THR A 9 6.470 -1.724 2.088 1.00 0.00 O ATOM 119 CB THR A 9 8.213 -3.936 3.153 1.00 0.00 C ATOM 120 OG1 THR A 9 8.325 -5.079 4.012 1.00 0.00 O ATOM 121 CG2 THR A 9 9.589 -3.566 2.617 1.00 0.00 C ATOM 0 H THR A 9 5.579 -3.342 3.945 1.00 0.00 H new ATOM 0 HA THR A 9 8.283 -2.431 4.699 1.00 0.00 H new ATOM 0 HB THR A 9 7.566 -4.170 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.723 -5.824 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.008 -4.413 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.500 -2.712 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.246 -3.308 3.448 1.00 0.00 H new ATOM 129 N TRP A 10 7.982 -0.488 3.171 1.00 0.00 N ATOM 130 CA TRP A 10 7.807 0.662 2.298 1.00 0.00 C ATOM 131 C TRP A 10 9.130 1.389 2.110 1.00 0.00 C ATOM 132 O TRP A 10 9.874 1.605 3.069 1.00 0.00 O ATOM 133 CB TRP A 10 6.750 1.614 2.866 1.00 0.00 C ATOM 134 CG TRP A 10 6.566 2.866 2.055 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.028 4.113 2.361 1.00 0.00 C ATOM 136 CD2 TRP A 10 5.868 2.993 0.806 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.665 5.005 1.382 1.00 0.00 N ATOM 138 CE2 TRP A 10 5.956 4.344 0.417 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.183 2.098 -0.026 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.382 4.819 -0.760 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.614 2.575 -1.194 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.718 3.924 -1.551 1.00 0.00 C ATOM 0 H TRP A 10 8.656 -0.351 3.924 1.00 0.00 H new ATOM 0 HA TRP A 10 7.463 0.308 1.326 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.797 1.089 2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.030 1.888 3.883 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.597 4.362 3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.888 6.000 1.376 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.100 1.054 0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.459 5.860 -1.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.081 1.894 -1.841 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.264 4.265 -2.470 1.00 0.00 H new ATOM 153 N PHE A 11 9.417 1.750 0.871 1.00 0.00 N ATOM 154 CA PHE A 11 10.622 2.486 0.541 1.00 0.00 C ATOM 155 C PHE A 11 10.248 3.861 0.005 1.00 0.00 C ATOM 156 O PHE A 11 10.110 4.039 -1.201 1.00 0.00 O ATOM 157 CB PHE A 11 11.450 1.732 -0.506 1.00 0.00 C ATOM 158 CG PHE A 11 11.801 0.325 -0.110 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.866 0.075 0.739 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.065 -0.745 -0.593 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.190 -1.218 1.102 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.383 -2.041 -0.233 1.00 0.00 C ATOM 163 CZ PHE A 11 12.448 -2.279 0.617 1.00 0.00 C ATOM 0 H PHE A 11 8.822 1.541 0.069 1.00 0.00 H new ATOM 0 HA PHE A 11 11.222 2.594 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.895 1.707 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.370 2.286 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.449 0.899 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.234 -0.564 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.023 -1.400 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.801 -2.867 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.699 -3.290 0.901 1.00 0.00 H new ATOM 173 N LYS A 12 10.064 4.820 0.908 1.00 0.00 N ATOM 174 CA LYS A 12 9.676 6.178 0.526 1.00 0.00 C ATOM 175 C LYS A 12 10.739 6.789 -0.378 1.00 0.00 C ATOM 176 O LYS A 12 10.456 7.644 -1.216 1.00 0.00 O ATOM 177 CB LYS A 12 9.501 7.044 1.777 1.00 0.00 C ATOM 178 CG LYS A 12 8.659 8.291 1.554 1.00 0.00 C ATOM 179 CD LYS A 12 8.732 9.222 2.750 1.00 0.00 C ATOM 180 CE LYS A 12 7.634 10.275 2.719 1.00 0.00 C ATOM 181 NZ LYS A 12 7.839 11.328 3.753 1.00 0.00 N ATOM 0 H LYS A 12 10.177 4.683 1.912 1.00 0.00 H new ATOM 0 HA LYS A 12 8.730 6.135 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.041 6.443 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.484 7.342 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.006 8.813 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.622 8.006 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.651 8.640 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.705 9.713 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.603 10.737 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.668 9.796 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.919 11.724 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.303 10.912 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.438 12.084 3.364 1.00 0.00 H new ATOM 195 N ASP A 13 11.962 6.319 -0.196 1.00 0.00 N ATOM 196 CA ASP A 13 13.109 6.775 -0.975 1.00 0.00 C ATOM 197 C ASP A 13 12.953 6.480 -2.467 1.00 0.00 C ATOM 198 O ASP A 13 13.402 7.255 -3.309 1.00 0.00 O ATOM 199 CB ASP A 13 14.373 6.102 -0.439 1.00 0.00 C ATOM 200 CG ASP A 13 15.597 6.333 -1.302 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.056 7.492 -1.403 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.128 5.348 -1.849 1.00 0.00 O ATOM 0 H ASP A 13 12.192 5.608 0.498 1.00 0.00 H new ATOM 0 HA ASP A 13 13.179 7.858 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.573 6.472 0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.196 5.030 -0.355 1.00 0.00 H new ATOM 207 N LYS A 14 12.310 5.368 -2.797 1.00 0.00 N ATOM 208 CA LYS A 14 12.214 4.948 -4.190 1.00 0.00 C ATOM 209 C LYS A 14 10.767 4.870 -4.669 1.00 0.00 C ATOM 210 O LYS A 14 10.506 4.926 -5.869 1.00 0.00 O ATOM 211 CB LYS A 14 12.916 3.602 -4.386 1.00 0.00 C ATOM 212 CG LYS A 14 14.426 3.682 -4.232 1.00 0.00 C ATOM 213 CD LYS A 14 15.036 4.618 -5.264 1.00 0.00 C ATOM 214 CE LYS A 14 16.500 4.920 -4.965 1.00 0.00 C ATOM 215 NZ LYS A 14 17.362 3.712 -5.054 1.00 0.00 N ATOM 0 H LYS A 14 11.852 4.747 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 14 12.713 5.705 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.522 2.886 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.679 3.218 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.674 4.031 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.858 2.687 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.953 4.170 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.471 5.550 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.862 5.673 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.582 5.348 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.347 3.972 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.036 3.002 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.307 3.317 -6.014 1.00 0.00 H new ATOM 229 N GLY A 15 9.829 4.739 -3.740 1.00 0.00 N ATOM 230 CA GLY A 15 8.423 4.690 -4.106 1.00 0.00 C ATOM 231 C GLY A 15 7.890 3.273 -4.206 1.00 0.00 C ATOM 232 O GLY A 15 6.794 3.046 -4.724 1.00 0.00 O ATOM 0 H GLY A 15 10.014 4.666 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.841 5.241 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.284 5.194 -5.062 1.00 0.00 H new ATOM 236 N PHE A 16 8.668 2.320 -3.715 1.00 0.00 N ATOM 237 CA PHE A 16 8.259 0.920 -3.709 1.00 0.00 C ATOM 238 C PHE A 16 7.707 0.553 -2.344 1.00 0.00 C ATOM 239 O PHE A 16 7.978 1.236 -1.356 1.00 0.00 O ATOM 240 CB PHE A 16 9.439 0.001 -4.037 1.00 0.00 C ATOM 241 CG PHE A 16 10.010 0.185 -5.419 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.735 1.319 -5.745 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.824 -0.785 -6.389 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.260 1.484 -7.012 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.347 -0.626 -7.658 1.00 0.00 C ATOM 246 CZ PHE A 16 11.065 0.510 -7.970 1.00 0.00 C ATOM 0 H PHE A 16 9.590 2.490 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 16 7.491 0.788 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.229 0.171 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.118 -1.035 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.892 2.084 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 16 9.263 -1.677 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.822 2.374 -7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.194 -1.391 -8.405 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.474 0.637 -8.962 1.00 0.00 H new ATOM 256 N GLY A 17 6.951 -0.528 -2.284 1.00 0.00 N ATOM 257 CA GLY A 17 6.386 -0.957 -1.023 1.00 0.00 C ATOM 258 C GLY A 17 5.593 -2.241 -1.139 1.00 0.00 C ATOM 259 O GLY A 17 5.206 -2.644 -2.239 1.00 0.00 O ATOM 0 H GLY A 17 6.718 -1.117 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.189 -1.096 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.739 -0.170 -0.634 1.00 0.00 H new ATOM 263 N PHE A 18 5.357 -2.878 -0.001 1.00 0.00 N ATOM 264 CA PHE A 18 4.592 -4.107 0.061 1.00 0.00 C ATOM 265 C PHE A 18 3.656 -4.030 1.251 1.00 0.00 C ATOM 266 O PHE A 18 4.086 -3.763 2.376 1.00 0.00 O ATOM 267 CB PHE A 18 5.505 -5.330 0.203 1.00 0.00 C ATOM 268 CG PHE A 18 6.519 -5.470 -0.897 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.160 -6.002 -2.123 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.832 -5.076 -0.698 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.093 -6.137 -3.135 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.769 -5.207 -1.705 1.00 0.00 C ATOM 273 CZ PHE A 18 8.399 -5.739 -2.925 1.00 0.00 C ATOM 0 H PHE A 18 5.693 -2.553 0.906 1.00 0.00 H new ATOM 0 HA PHE A 18 4.030 -4.219 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.027 -5.271 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.889 -6.229 0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.140 -6.315 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.127 -4.662 0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.801 -6.553 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.789 -4.894 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.130 -5.844 -3.713 1.00 0.00 H new ATOM 283 N ILE A 19 2.386 -4.242 1.002 1.00 0.00 N ATOM 284 CA ILE A 19 1.385 -4.128 2.043 1.00 0.00 C ATOM 285 C ILE A 19 0.642 -5.445 2.206 1.00 0.00 C ATOM 286 O ILE A 19 0.185 -6.038 1.227 1.00 0.00 O ATOM 287 CB ILE A 19 0.402 -2.974 1.743 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.156 -1.639 1.769 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.753 -2.962 2.738 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.312 -0.449 1.369 1.00 0.00 C ATOM 0 H ILE A 19 2.017 -4.495 0.085 1.00 0.00 H new ATOM 0 HA ILE A 19 1.890 -3.898 2.981 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.023 -3.125 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.547 -1.473 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.014 -1.705 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.428 -2.139 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.295 -3.905 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.362 -2.832 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.917 0.457 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.058 -0.590 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.532 -0.355 2.052 1.00 0.00 H new ATOM 302 N LYS A 20 0.550 -5.902 3.445 1.00 0.00 N ATOM 303 CA LYS A 20 -0.088 -7.166 3.752 1.00 0.00 C ATOM 304 C LYS A 20 -1.545 -6.926 4.108 1.00 0.00 C ATOM 305 O LYS A 20 -1.845 -6.192 5.049 1.00 0.00 O ATOM 306 CB LYS A 20 0.632 -7.845 4.917 1.00 0.00 C ATOM 307 CG LYS A 20 0.158 -9.258 5.193 1.00 0.00 C ATOM 308 CD LYS A 20 0.701 -10.241 4.169 1.00 0.00 C ATOM 309 CE LYS A 20 0.157 -11.645 4.396 1.00 0.00 C ATOM 310 NZ LYS A 20 0.276 -12.066 5.816 1.00 0.00 N ATOM 0 H LYS A 20 0.914 -5.408 4.260 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.035 -7.818 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.702 -7.866 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.495 -7.244 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.475 -9.560 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.932 -9.285 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.437 -9.906 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.790 -10.259 4.223 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.890 -11.681 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.696 -12.349 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.104 -13.089 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.232 -11.849 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.425 -11.555 6.390 1.00 0.00 H new ATOM 324 N ASP A 21 -2.445 -7.535 3.358 1.00 0.00 N ATOM 325 CA ASP A 21 -3.870 -7.311 3.566 1.00 0.00 C ATOM 326 C ASP A 21 -4.418 -8.246 4.631 1.00 0.00 C ATOM 327 O ASP A 21 -3.671 -8.984 5.279 1.00 0.00 O ATOM 328 CB ASP A 21 -4.658 -7.487 2.263 1.00 0.00 C ATOM 329 CG ASP A 21 -4.815 -8.934 1.819 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.963 -9.781 2.161 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.808 -9.222 1.116 1.00 0.00 O ATOM 0 H ASP A 21 -2.221 -8.184 2.604 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.990 -6.282 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.648 -7.048 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.159 -6.928 1.471 1.00 0.00 H new ATOM 336 N GLU A 22 -5.726 -8.209 4.798 1.00 0.00 N ATOM 337 CA GLU A 22 -6.383 -8.996 5.830 1.00 0.00 C ATOM 338 C GLU A 22 -6.804 -10.364 5.296 1.00 0.00 C ATOM 339 O GLU A 22 -7.192 -11.245 6.062 1.00 0.00 O ATOM 340 CB GLU A 22 -7.594 -8.244 6.375 1.00 0.00 C ATOM 341 CG GLU A 22 -7.845 -8.495 7.851 1.00 0.00 C ATOM 342 CD GLU A 22 -9.050 -7.745 8.369 1.00 0.00 C ATOM 343 OE1 GLU A 22 -8.920 -6.540 8.671 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.133 -8.361 8.484 1.00 0.00 O ATOM 0 H GLU A 22 -6.358 -7.642 4.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.671 -9.156 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.451 -7.175 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.479 -8.536 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.988 -9.563 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.964 -8.199 8.421 1.00 0.00 H new ATOM 351 N ASN A 23 -6.724 -10.542 3.983 1.00 0.00 N ATOM 352 CA ASN A 23 -7.042 -11.828 3.380 1.00 0.00 C ATOM 353 C ASN A 23 -5.862 -12.769 3.572 1.00 0.00 C ATOM 354 O ASN A 23 -6.033 -13.935 3.928 1.00 0.00 O ATOM 355 CB ASN A 23 -7.381 -11.665 1.890 1.00 0.00 C ATOM 356 CG ASN A 23 -7.886 -12.941 1.227 1.00 0.00 C ATOM 357 OD1 ASN A 23 -7.468 -14.051 1.555 1.00 0.00 O ATOM 358 ND2 ASN A 23 -8.812 -12.790 0.292 1.00 0.00 N ATOM 0 H ASN A 23 -6.444 -9.818 3.321 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.921 -12.250 3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.138 -10.888 1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.493 -11.320 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.200 -13.608 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.138 -11.856 0.043 1.00 0.00 H new ATOM 365 N GLY A 24 -4.660 -12.248 3.362 1.00 0.00 N ATOM 366 CA GLY A 24 -3.468 -13.027 3.612 1.00 0.00 C ATOM 367 C GLY A 24 -2.563 -13.115 2.404 1.00 0.00 C ATOM 368 O GLY A 24 -2.065 -14.193 2.073 1.00 0.00 O ATOM 0 H GLY A 24 -4.492 -11.301 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.917 -12.584 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.754 -14.033 3.920 1.00 0.00 H new ATOM 372 N ASP A 25 -2.352 -11.989 1.743 1.00 0.00 N ATOM 373 CA ASP A 25 -1.467 -11.941 0.588 1.00 0.00 C ATOM 374 C ASP A 25 -0.569 -10.711 0.653 1.00 0.00 C ATOM 375 O ASP A 25 -0.847 -9.766 1.393 1.00 0.00 O ATOM 376 CB ASP A 25 -2.300 -11.936 -0.698 1.00 0.00 C ATOM 377 CG ASP A 25 -1.463 -11.965 -1.960 1.00 0.00 C ATOM 378 OD1 ASP A 25 -0.566 -12.823 -2.064 1.00 0.00 O ATOM 379 OD2 ASP A 25 -1.719 -11.138 -2.860 1.00 0.00 O ATOM 0 H ASP A 25 -2.781 -11.096 1.985 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.828 -12.824 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.966 -12.799 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.930 -11.047 -0.710 1.00 0.00 H new ATOM 384 N ASN A 26 0.507 -10.738 -0.117 1.00 0.00 N ATOM 385 CA ASN A 26 1.425 -9.624 -0.203 1.00 0.00 C ATOM 386 C ASN A 26 1.449 -9.094 -1.627 1.00 0.00 C ATOM 387 O ASN A 26 1.650 -9.843 -2.582 1.00 0.00 O ATOM 388 CB ASN A 26 2.834 -10.036 0.240 1.00 0.00 C ATOM 389 CG ASN A 26 3.453 -11.135 -0.608 1.00 0.00 C ATOM 390 OD1 ASN A 26 2.777 -12.066 -1.047 1.00 0.00 O ATOM 391 ND2 ASN A 26 4.752 -11.029 -0.848 1.00 0.00 N ATOM 0 H ASN A 26 0.765 -11.535 -0.699 1.00 0.00 H new ATOM 0 HA ASN A 26 1.083 -8.837 0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.483 -9.161 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.794 -10.370 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.225 -11.733 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.279 -10.243 -0.467 1.00 0.00 H new ATOM 398 N ARG A 27 1.233 -7.802 -1.769 1.00 0.00 N ATOM 399 CA ARG A 27 1.085 -7.206 -3.084 1.00 0.00 C ATOM 400 C ARG A 27 2.016 -6.027 -3.259 1.00 0.00 C ATOM 401 O ARG A 27 2.325 -5.313 -2.302 1.00 0.00 O ATOM 402 CB ARG A 27 -0.373 -6.808 -3.291 1.00 0.00 C ATOM 403 CG ARG A 27 -1.268 -8.027 -3.317 1.00 0.00 C ATOM 404 CD ARG A 27 -2.713 -7.712 -3.000 1.00 0.00 C ATOM 405 NE ARG A 27 -3.426 -8.933 -2.644 1.00 0.00 N ATOM 406 CZ ARG A 27 -4.443 -8.986 -1.790 1.00 0.00 C ATOM 407 NH1 ARG A 27 -4.949 -7.874 -1.274 1.00 0.00 N ATOM 408 NH2 ARG A 27 -4.956 -10.160 -1.451 1.00 0.00 N ATOM 0 H ARG A 27 1.156 -7.145 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 27 1.362 -7.937 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.688 -6.138 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.474 -6.258 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.212 -8.490 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.896 -8.758 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.766 -6.998 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.188 -7.242 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.124 -9.805 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.558 -6.968 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.730 -7.925 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.570 -11.018 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.737 -10.205 -0.796 1.00 0.00 H new ATOM 422 N TYR A 28 2.484 -5.858 -4.483 1.00 0.00 N ATOM 423 CA TYR A 28 3.389 -4.777 -4.817 1.00 0.00 C ATOM 424 C TYR A 28 2.630 -3.466 -4.927 1.00 0.00 C ATOM 425 O TYR A 28 1.623 -3.375 -5.634 1.00 0.00 O ATOM 426 CB TYR A 28 4.116 -5.088 -6.131 1.00 0.00 C ATOM 427 CG TYR A 28 4.927 -3.932 -6.677 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.111 -3.536 -6.068 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.502 -3.235 -7.803 1.00 0.00 C ATOM 430 CE1 TYR A 28 6.848 -2.479 -6.566 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.233 -2.178 -8.306 1.00 0.00 C ATOM 432 CZ TYR A 28 6.404 -1.802 -7.684 1.00 0.00 C ATOM 433 OH TYR A 28 7.136 -0.749 -8.184 1.00 0.00 O ATOM 0 H TYR A 28 2.248 -6.464 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 28 4.129 -4.679 -4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.777 -5.940 -5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.381 -5.387 -6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.461 -4.062 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.584 -3.526 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.768 -2.184 -6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.889 -1.648 -9.182 1.00 0.00 H new ATOM 0 HH TYR A 28 8.040 -0.771 -7.807 1.00 0.00 H new ATOM 443 N PHE A 29 3.101 -2.465 -4.207 1.00 0.00 N ATOM 444 CA PHE A 29 2.519 -1.140 -4.275 1.00 0.00 C ATOM 445 C PHE A 29 3.507 -0.177 -4.899 1.00 0.00 C ATOM 446 O PHE A 29 4.720 -0.391 -4.852 1.00 0.00 O ATOM 447 CB PHE A 29 2.099 -0.648 -2.889 1.00 0.00 C ATOM 448 CG PHE A 29 0.878 -1.344 -2.347 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.931 -2.668 -1.947 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.326 -0.668 -2.244 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.192 -3.307 -1.456 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.453 -1.301 -1.753 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.385 -2.622 -1.359 1.00 0.00 C ATOM 0 H PHE A 29 3.890 -2.547 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 29 1.624 -1.189 -4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.927 -0.792 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.905 0.424 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.863 -3.209 -2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.386 0.366 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.135 -4.341 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.386 -0.762 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.264 -3.118 -0.976 1.00 0.00 H new ATOM 463 N HIS A 30 2.983 0.876 -5.487 1.00 0.00 N ATOM 464 CA HIS A 30 3.806 1.835 -6.196 1.00 0.00 C ATOM 465 C HIS A 30 3.278 3.247 -5.949 1.00 0.00 C ATOM 466 O HIS A 30 2.080 3.499 -6.089 1.00 0.00 O ATOM 467 CB HIS A 30 3.819 1.493 -7.688 1.00 0.00 C ATOM 468 CG HIS A 30 4.850 2.239 -8.474 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.559 2.940 -9.620 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.176 2.405 -8.261 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.654 3.516 -10.073 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.649 3.204 -9.269 1.00 0.00 N ATOM 0 H HIS A 30 1.986 1.092 -5.489 1.00 0.00 H new ATOM 0 HA HIS A 30 4.831 1.791 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.993 0.423 -7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.835 1.703 -8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.753 1.987 -7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.724 4.138 -10.953 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.616 3.508 -9.379 1.00 0.00 H new ATOM 481 N VAL A 31 4.185 4.151 -5.585 1.00 0.00 N ATOM 482 CA VAL A 31 3.841 5.503 -5.129 1.00 0.00 C ATOM 483 C VAL A 31 2.865 6.238 -6.067 1.00 0.00 C ATOM 484 O VAL A 31 2.016 6.998 -5.604 1.00 0.00 O ATOM 485 CB VAL A 31 5.122 6.352 -4.939 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.862 6.536 -6.258 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.799 7.698 -4.307 1.00 0.00 C ATOM 0 H VAL A 31 5.188 3.968 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 31 3.329 5.378 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 31 5.779 5.810 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.757 7.136 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.147 5.561 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.212 7.042 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.717 8.273 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.110 8.246 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.338 7.541 -3.332 1.00 0.00 H new ATOM 497 N ILE A 32 2.976 5.991 -7.370 1.00 0.00 N ATOM 498 CA ILE A 32 2.152 6.677 -8.367 1.00 0.00 C ATOM 499 C ILE A 32 0.652 6.493 -8.107 1.00 0.00 C ATOM 500 O ILE A 32 -0.150 7.397 -8.346 1.00 0.00 O ATOM 501 CB ILE A 32 2.488 6.184 -9.795 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.728 6.994 -10.833 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.151 4.708 -9.947 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.257 6.824 -12.241 1.00 0.00 C ATOM 0 H ILE A 32 3.632 5.317 -7.764 1.00 0.00 H new ATOM 0 HA ILE A 32 2.384 7.739 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 32 3.558 6.319 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.678 6.703 -10.811 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.772 8.049 -10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.395 4.381 -10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.729 4.127 -9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.087 4.557 -9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.667 7.431 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.299 7.142 -12.279 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.187 5.776 -12.532 1.00 0.00 H new ATOM 516 N LYS A 33 0.282 5.330 -7.597 1.00 0.00 N ATOM 517 CA LYS A 33 -1.121 4.994 -7.384 1.00 0.00 C ATOM 518 C LYS A 33 -1.542 5.248 -5.943 1.00 0.00 C ATOM 519 O LYS A 33 -2.642 4.870 -5.535 1.00 0.00 O ATOM 520 CB LYS A 33 -1.380 3.532 -7.755 1.00 0.00 C ATOM 521 CG LYS A 33 -1.241 3.249 -9.243 1.00 0.00 C ATOM 522 CD LYS A 33 -2.240 4.063 -10.052 1.00 0.00 C ATOM 523 CE LYS A 33 -2.084 3.817 -11.541 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.035 4.637 -12.337 1.00 0.00 N ATOM 0 H LYS A 33 0.936 4.597 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.718 5.639 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.684 2.898 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.384 3.256 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.228 3.485 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.397 2.187 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.254 3.806 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.102 5.123 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.063 4.049 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.248 2.761 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.899 4.442 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.010 4.398 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.862 5.646 -12.153 1.00 0.00 H new ATOM 538 N VAL A 34 -0.675 5.890 -5.174 1.00 0.00 N ATOM 539 CA VAL A 34 -0.989 6.208 -3.792 1.00 0.00 C ATOM 540 C VAL A 34 -1.492 7.641 -3.691 1.00 0.00 C ATOM 541 O VAL A 34 -0.875 8.562 -4.229 1.00 0.00 O ATOM 542 CB VAL A 34 0.230 6.026 -2.864 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.174 6.226 -1.415 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.863 4.657 -3.061 1.00 0.00 C ATOM 0 H VAL A 34 0.247 6.199 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.764 5.514 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 34 0.973 6.780 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.697 6.094 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.573 7.232 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.937 5.496 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.720 4.553 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.131 3.882 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.192 4.554 -4.095 1.00 0.00 H new ATOM 554 N ALA A 35 -2.618 7.821 -3.018 1.00 0.00 N ATOM 555 CA ALA A 35 -3.222 9.137 -2.873 1.00 0.00 C ATOM 556 C ALA A 35 -2.433 9.998 -1.896 1.00 0.00 C ATOM 557 O ALA A 35 -2.155 11.164 -2.163 1.00 0.00 O ATOM 558 CB ALA A 35 -4.662 9.004 -2.412 1.00 0.00 C ATOM 0 H ALA A 35 -3.134 7.069 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.204 9.628 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.103 9.995 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.228 8.431 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.690 8.491 -1.451 1.00 0.00 H new ATOM 564 N ASN A 36 -2.073 9.415 -0.767 1.00 0.00 N ATOM 565 CA ASN A 36 -1.324 10.127 0.259 1.00 0.00 C ATOM 566 C ASN A 36 -0.143 9.284 0.745 1.00 0.00 C ATOM 567 O ASN A 36 -0.200 8.653 1.799 1.00 0.00 O ATOM 568 CB ASN A 36 -2.240 10.540 1.429 1.00 0.00 C ATOM 569 CG ASN A 36 -3.088 9.403 2.001 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.453 8.453 1.306 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.431 9.506 3.276 1.00 0.00 N ATOM 0 H ASN A 36 -2.287 8.445 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.926 11.041 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.624 10.954 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.903 11.337 1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.012 8.787 3.707 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.114 10.304 3.827 1.00 0.00 H new ATOM 578 N PRO A 37 0.951 9.271 -0.037 1.00 0.00 N ATOM 579 CA PRO A 37 2.108 8.402 0.219 1.00 0.00 C ATOM 580 C PRO A 37 2.975 8.870 1.384 1.00 0.00 C ATOM 581 O PRO A 37 3.705 8.082 1.980 1.00 0.00 O ATOM 582 CB PRO A 37 2.892 8.471 -1.090 1.00 0.00 C ATOM 583 CG PRO A 37 2.560 9.805 -1.663 1.00 0.00 C ATOM 584 CD PRO A 37 1.146 10.106 -1.240 1.00 0.00 C ATOM 0 HA PRO A 37 1.795 7.398 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.963 8.371 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.603 7.667 -1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.247 10.568 -1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.647 9.794 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.012 11.165 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.432 9.852 -2.023 1.00 0.00 H new ATOM 592 N ASP A 38 2.891 10.151 1.710 1.00 0.00 N ATOM 593 CA ASP A 38 3.698 10.713 2.790 1.00 0.00 C ATOM 594 C ASP A 38 3.211 10.223 4.149 1.00 0.00 C ATOM 595 O ASP A 38 3.991 10.097 5.095 1.00 0.00 O ATOM 596 CB ASP A 38 3.666 12.239 2.744 1.00 0.00 C ATOM 597 CG ASP A 38 4.453 12.866 3.877 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.698 12.814 3.841 1.00 0.00 O ATOM 599 OD2 ASP A 38 3.821 13.404 4.806 1.00 0.00 O ATOM 0 H ASP A 38 2.276 10.820 1.247 1.00 0.00 H new ATOM 0 HA ASP A 38 4.725 10.376 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.071 12.580 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.632 12.580 2.791 1.00 0.00 H new ATOM 604 N LEU A 39 1.926 9.912 4.229 1.00 0.00 N ATOM 605 CA LEU A 39 1.327 9.459 5.473 1.00 0.00 C ATOM 606 C LEU A 39 1.577 7.973 5.661 1.00 0.00 C ATOM 607 O LEU A 39 1.257 7.397 6.701 1.00 0.00 O ATOM 608 CB LEU A 39 -0.173 9.758 5.485 1.00 0.00 C ATOM 609 CG LEU A 39 -0.533 11.240 5.610 1.00 0.00 C ATOM 610 CD1 LEU A 39 -2.041 11.427 5.638 1.00 0.00 C ATOM 611 CD2 LEU A 39 0.104 11.838 6.857 1.00 0.00 C ATOM 0 H LEU A 39 1.277 9.966 3.444 1.00 0.00 H new ATOM 0 HA LEU A 39 1.788 9.998 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.614 9.368 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.630 9.217 6.313 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.142 11.763 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.274 12.488 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.473 11.037 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.458 10.891 6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.162 12.893 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.257 11.310 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.188 11.740 6.794 1.00 0.00 H new ATOM 623 N ILE A 40 2.167 7.367 4.644 1.00 0.00 N ATOM 624 CA ILE A 40 2.517 5.965 4.685 1.00 0.00 C ATOM 625 C ILE A 40 3.700 5.734 5.618 1.00 0.00 C ATOM 626 O ILE A 40 4.818 6.196 5.365 1.00 0.00 O ATOM 627 CB ILE A 40 2.843 5.431 3.276 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.571 5.352 2.431 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.520 4.069 3.352 1.00 0.00 C ATOM 630 CD1 ILE A 40 1.791 4.786 1.044 1.00 0.00 C ATOM 0 H ILE A 40 2.414 7.835 3.772 1.00 0.00 H new ATOM 0 HA ILE A 40 1.654 5.419 5.067 1.00 0.00 H new ATOM 0 HB ILE A 40 3.536 6.125 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.838 4.736 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.143 6.350 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.739 3.715 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.448 4.155 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.857 3.361 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.843 4.762 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.499 5.414 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.189 3.774 1.123 1.00 0.00 H new ATOM 642 N LYS A 41 3.428 5.050 6.715 1.00 0.00 N ATOM 643 CA LYS A 41 4.454 4.644 7.661 1.00 0.00 C ATOM 644 C LYS A 41 4.234 3.181 8.025 1.00 0.00 C ATOM 645 O LYS A 41 3.242 2.581 7.607 1.00 0.00 O ATOM 646 CB LYS A 41 4.420 5.524 8.919 1.00 0.00 C ATOM 647 CG LYS A 41 4.818 6.975 8.676 1.00 0.00 C ATOM 648 CD LYS A 41 6.273 7.090 8.241 1.00 0.00 C ATOM 649 CE LYS A 41 6.699 8.539 8.048 1.00 0.00 C ATOM 650 NZ LYS A 41 5.929 9.216 6.971 1.00 0.00 N ATOM 0 H LYS A 41 2.486 4.759 6.976 1.00 0.00 H new ATOM 0 HA LYS A 41 5.436 4.765 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.414 5.500 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.088 5.096 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.173 7.407 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.663 7.553 9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.913 6.621 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.417 6.543 7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.565 9.082 8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.762 8.574 7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.332 10.158 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.980 8.650 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.936 9.313 7.263 1.00 0.00 H new ATOM 664 N LYS A 42 5.141 2.608 8.798 1.00 0.00 N ATOM 665 CA LYS A 42 5.044 1.202 9.156 1.00 0.00 C ATOM 666 C LYS A 42 3.881 0.996 10.122 1.00 0.00 C ATOM 667 O LYS A 42 3.620 1.847 10.977 1.00 0.00 O ATOM 668 CB LYS A 42 6.371 0.722 9.772 1.00 0.00 C ATOM 669 CG LYS A 42 6.551 -0.793 9.794 1.00 0.00 C ATOM 670 CD LYS A 42 5.830 -1.440 10.967 1.00 0.00 C ATOM 671 CE LYS A 42 5.944 -2.954 10.926 1.00 0.00 C ATOM 672 NZ LYS A 42 7.348 -3.416 11.085 1.00 0.00 N ATOM 0 H LYS A 42 5.950 3.092 9.189 1.00 0.00 H new ATOM 0 HA LYS A 42 4.855 0.610 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.196 1.164 9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.439 1.097 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.176 -1.215 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.614 -1.030 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.249 -1.068 11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.779 -1.153 10.952 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.330 -3.384 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.548 -3.321 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.364 -4.451 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.901 -3.142 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.764 -2.979 11.932 1.00 0.00 H new ATOM 686 N ASP A 43 3.162 -0.112 9.937 1.00 0.00 N ATOM 687 CA ASP A 43 2.063 -0.518 10.825 1.00 0.00 C ATOM 688 C ASP A 43 0.808 0.335 10.596 1.00 0.00 C ATOM 689 O ASP A 43 -0.188 0.209 11.309 1.00 0.00 O ATOM 690 CB ASP A 43 2.503 -0.462 12.300 1.00 0.00 C ATOM 691 CG ASP A 43 1.472 -1.035 13.252 1.00 0.00 C ATOM 692 OD1 ASP A 43 1.259 -2.267 13.234 1.00 0.00 O ATOM 693 OD2 ASP A 43 0.872 -0.256 14.022 1.00 0.00 O ATOM 0 H ASP A 43 3.323 -0.758 9.165 1.00 0.00 H new ATOM 0 HA ASP A 43 1.807 -1.549 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.438 -1.010 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.705 0.574 12.573 1.00 0.00 H new ATOM 698 N ALA A 44 0.848 1.191 9.586 1.00 0.00 N ATOM 699 CA ALA A 44 -0.312 1.998 9.238 1.00 0.00 C ATOM 700 C ALA A 44 -1.288 1.186 8.394 1.00 0.00 C ATOM 701 O ALA A 44 -0.883 0.262 7.682 1.00 0.00 O ATOM 702 CB ALA A 44 0.114 3.256 8.499 1.00 0.00 C ATOM 0 H ALA A 44 1.666 1.344 8.996 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.814 2.296 10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.767 3.846 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.776 3.845 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.639 2.981 7.585 1.00 0.00 H new ATOM 708 N ALA A 45 -2.569 1.525 8.476 1.00 0.00 N ATOM 709 CA ALA A 45 -3.594 0.809 7.732 1.00 0.00 C ATOM 710 C ALA A 45 -4.000 1.593 6.491 1.00 0.00 C ATOM 711 O ALA A 45 -4.164 2.814 6.539 1.00 0.00 O ATOM 712 CB ALA A 45 -4.802 0.543 8.617 1.00 0.00 C ATOM 0 H ALA A 45 -2.921 2.291 9.050 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.184 -0.149 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.560 0.007 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.500 -0.059 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.213 1.490 8.966 1.00 0.00 H new ATOM 718 N VAL A 46 -4.140 0.896 5.379 1.00 0.00 N ATOM 719 CA VAL A 46 -4.537 1.525 4.132 1.00 0.00 C ATOM 720 C VAL A 46 -5.684 0.769 3.480 1.00 0.00 C ATOM 721 O VAL A 46 -5.915 -0.406 3.765 1.00 0.00 O ATOM 722 CB VAL A 46 -3.364 1.611 3.130 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.246 2.492 3.669 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.836 0.220 2.804 1.00 0.00 C ATOM 0 H VAL A 46 -3.984 -0.110 5.313 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.858 2.535 4.384 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.739 2.065 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.434 2.534 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.628 3.498 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.874 2.076 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.010 0.301 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.486 -0.260 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.634 -0.378 2.363 1.00 0.00 H new ATOM 734 N THR A 47 -6.395 1.460 2.613 1.00 0.00 N ATOM 735 CA THR A 47 -7.445 0.858 1.811 1.00 0.00 C ATOM 736 C THR A 47 -7.090 0.985 0.337 1.00 0.00 C ATOM 737 O THR A 47 -6.643 2.044 -0.109 1.00 0.00 O ATOM 738 CB THR A 47 -8.811 1.519 2.079 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.669 2.947 2.104 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.406 1.038 3.395 1.00 0.00 C ATOM 0 H THR A 47 -6.262 2.457 2.443 1.00 0.00 H new ATOM 0 HA THR A 47 -7.524 -0.194 2.086 1.00 0.00 H new ATOM 0 HB THR A 47 -9.488 1.234 1.273 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.542 3.360 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.369 1.522 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.544 -0.043 3.359 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.731 1.290 4.213 1.00 0.00 H new ATOM 748 N PHE A 48 -7.270 -0.087 -0.416 1.00 0.00 N ATOM 749 CA PHE A 48 -6.839 -0.109 -1.804 1.00 0.00 C ATOM 750 C PHE A 48 -7.800 -0.892 -2.689 1.00 0.00 C ATOM 751 O PHE A 48 -8.647 -1.647 -2.203 1.00 0.00 O ATOM 752 CB PHE A 48 -5.433 -0.708 -1.905 1.00 0.00 C ATOM 753 CG PHE A 48 -5.257 -1.983 -1.120 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.687 -3.197 -1.631 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.658 -1.962 0.131 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.524 -4.365 -0.911 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.494 -3.127 0.854 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.926 -4.329 0.332 1.00 0.00 C ATOM 0 H PHE A 48 -7.709 -0.949 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.828 0.921 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.206 -0.903 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.709 0.027 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.155 -3.231 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.316 -1.024 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.864 -5.305 -1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.028 -3.097 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.796 -5.241 0.896 1.00 0.00 H new ATOM 768 N GLU A 49 -7.649 -0.696 -3.991 1.00 0.00 N ATOM 769 CA GLU A 49 -8.423 -1.423 -4.983 1.00 0.00 C ATOM 770 C GLU A 49 -7.602 -2.589 -5.517 1.00 0.00 C ATOM 771 O GLU A 49 -6.393 -2.457 -5.716 1.00 0.00 O ATOM 772 CB GLU A 49 -8.791 -0.495 -6.142 1.00 0.00 C ATOM 773 CG GLU A 49 -9.748 0.624 -5.773 1.00 0.00 C ATOM 774 CD GLU A 49 -11.180 0.152 -5.633 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.458 -1.024 -5.939 1.00 0.00 O ATOM 776 OE2 GLU A 49 -12.038 0.970 -5.233 1.00 0.00 O ATOM 0 H GLU A 49 -6.987 -0.029 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.334 -1.797 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.878 -0.057 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.237 -1.089 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.426 1.076 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.700 1.402 -6.535 1.00 0.00 H new ATOM 783 N PRO A 50 -8.240 -3.736 -5.776 1.00 0.00 N ATOM 784 CA PRO A 50 -7.555 -4.903 -6.328 1.00 0.00 C ATOM 785 C PRO A 50 -7.290 -4.784 -7.827 1.00 0.00 C ATOM 786 O PRO A 50 -8.106 -4.240 -8.575 1.00 0.00 O ATOM 787 CB PRO A 50 -8.522 -6.051 -6.048 1.00 0.00 C ATOM 788 CG PRO A 50 -9.873 -5.420 -5.965 1.00 0.00 C ATOM 789 CD PRO A 50 -9.668 -3.996 -5.515 1.00 0.00 C ATOM 0 HA PRO A 50 -6.569 -5.035 -5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.485 -6.798 -6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.268 -6.560 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.373 -5.450 -6.933 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.508 -5.959 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.306 -3.307 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.909 -3.874 -4.459 1.00 0.00 H new ATOM 797 N THR A 51 -6.140 -5.287 -8.251 1.00 0.00 N ATOM 798 CA THR A 51 -5.775 -5.304 -9.658 1.00 0.00 C ATOM 799 C THR A 51 -4.722 -6.386 -9.902 1.00 0.00 C ATOM 800 O THR A 51 -4.147 -6.929 -8.955 1.00 0.00 O ATOM 801 CB THR A 51 -5.244 -3.923 -10.125 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.117 -3.880 -11.554 1.00 0.00 O ATOM 803 CG2 THR A 51 -3.896 -3.606 -9.496 1.00 0.00 C ATOM 0 H THR A 51 -5.438 -5.693 -7.632 1.00 0.00 H new ATOM 0 HA THR A 51 -6.669 -5.527 -10.240 1.00 0.00 H new ATOM 0 HB THR A 51 -5.969 -3.176 -9.803 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.782 -3.000 -11.826 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.552 -2.632 -9.844 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.996 -3.589 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.172 -4.369 -9.782 1.00 0.00 H new ATOM 811 N THR A 52 -4.486 -6.713 -11.160 1.00 0.00 N ATOM 812 CA THR A 52 -3.509 -7.725 -11.506 1.00 0.00 C ATOM 813 C THR A 52 -2.337 -7.119 -12.257 1.00 0.00 C ATOM 814 O THR A 52 -2.498 -6.167 -13.023 1.00 0.00 O ATOM 815 CB THR A 52 -4.145 -8.841 -12.358 1.00 0.00 C ATOM 816 OG1 THR A 52 -4.957 -8.268 -13.394 1.00 0.00 O ATOM 817 CG2 THR A 52 -4.987 -9.769 -11.495 1.00 0.00 C ATOM 0 H THR A 52 -4.959 -6.291 -11.959 1.00 0.00 H new ATOM 0 HA THR A 52 -3.146 -8.156 -10.573 1.00 0.00 H new ATOM 0 HB THR A 52 -3.343 -9.424 -12.810 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.355 -8.984 -13.931 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.425 -10.548 -12.119 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.358 -10.227 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.782 -9.198 -11.015 1.00 0.00 H new ATOM 825 N ASN A 53 -1.161 -7.667 -12.020 1.00 0.00 N ATOM 826 CA ASN A 53 0.054 -7.202 -12.662 1.00 0.00 C ATOM 827 C ASN A 53 0.839 -8.406 -13.169 1.00 0.00 C ATOM 828 O ASN A 53 0.426 -9.548 -12.960 1.00 0.00 O ATOM 829 CB ASN A 53 0.896 -6.417 -11.660 1.00 0.00 C ATOM 830 CG ASN A 53 1.864 -5.483 -12.338 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.026 -5.828 -12.568 1.00 0.00 O ATOM 832 ND2 ASN A 53 1.385 -4.301 -12.675 1.00 0.00 N ATOM 0 H ASN A 53 -1.020 -8.447 -11.377 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.196 -6.551 -13.499 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.239 -5.844 -11.006 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.448 -7.113 -11.028 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.984 -3.624 -13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.416 -4.064 -12.462 1.00 0.00 H new ATOM 839 N ASN A 54 1.954 -8.163 -13.836 1.00 0.00 N ATOM 840 CA ASN A 54 2.836 -9.247 -14.248 1.00 0.00 C ATOM 841 C ASN A 54 3.614 -9.768 -13.046 1.00 0.00 C ATOM 842 O ASN A 54 4.014 -10.933 -13.004 1.00 0.00 O ATOM 843 CB ASN A 54 3.786 -8.783 -15.353 1.00 0.00 C ATOM 844 CG ASN A 54 4.867 -9.806 -15.665 1.00 0.00 C ATOM 845 OD1 ASN A 54 5.988 -9.708 -15.168 1.00 0.00 O ATOM 846 ND2 ASN A 54 4.533 -10.807 -16.464 1.00 0.00 N ATOM 0 H ASN A 54 2.271 -7.231 -14.104 1.00 0.00 H new ATOM 0 HA ASN A 54 2.230 -10.059 -14.650 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.213 -8.579 -16.257 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.254 -7.845 -15.054 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.216 -11.531 -16.687 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.593 -10.854 -16.857 1.00 0.00 H new ATOM 853 N LYS A 55 3.793 -8.904 -12.054 1.00 0.00 N ATOM 854 CA LYS A 55 4.491 -9.266 -10.833 1.00 0.00 C ATOM 855 C LYS A 55 3.614 -10.147 -9.943 1.00 0.00 C ATOM 856 O LYS A 55 4.101 -10.773 -9.003 1.00 0.00 O ATOM 857 CB LYS A 55 4.896 -7.996 -10.083 1.00 0.00 C ATOM 858 CG LYS A 55 5.777 -7.061 -10.900 1.00 0.00 C ATOM 859 CD LYS A 55 7.076 -7.738 -11.307 1.00 0.00 C ATOM 860 CE LYS A 55 7.895 -6.864 -12.243 1.00 0.00 C ATOM 861 NZ LYS A 55 9.153 -7.533 -12.669 1.00 0.00 N ATOM 0 H LYS A 55 3.460 -7.940 -12.075 1.00 0.00 H new ATOM 0 HA LYS A 55 5.383 -9.835 -11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.996 -7.461 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.424 -8.275 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.239 -6.737 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.998 -6.166 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.662 -7.967 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.855 -8.687 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.300 -6.617 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.134 -5.924 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.682 -6.904 -13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.733 -7.746 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.925 -8.417 -13.167 1.00 0.00 H new ATOM 875 N GLY A 56 2.324 -10.193 -10.245 1.00 0.00 N ATOM 876 CA GLY A 56 1.400 -10.965 -9.444 1.00 0.00 C ATOM 877 C GLY A 56 0.182 -10.154 -9.076 1.00 0.00 C ATOM 878 O GLY A 56 -0.347 -9.414 -9.908 1.00 0.00 O ATOM 0 H GLY A 56 1.901 -9.706 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.094 -11.855 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.899 -11.307 -8.537 1.00 0.00 H new ATOM 882 N LEU A 57 -0.263 -10.283 -7.839 1.00 0.00 N ATOM 883 CA LEU A 57 -1.372 -9.488 -7.353 1.00 0.00 C ATOM 884 C LEU A 57 -0.875 -8.113 -6.930 1.00 0.00 C ATOM 885 O LEU A 57 0.207 -7.978 -6.354 1.00 0.00 O ATOM 886 CB LEU A 57 -2.071 -10.195 -6.194 1.00 0.00 C ATOM 887 CG LEU A 57 -2.819 -11.477 -6.573 1.00 0.00 C ATOM 888 CD1 LEU A 57 -3.494 -12.087 -5.355 1.00 0.00 C ATOM 889 CD2 LEU A 57 -3.845 -11.195 -7.659 1.00 0.00 C ATOM 0 H LEU A 57 0.127 -10.931 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.098 -9.364 -8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.327 -10.437 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.778 -9.501 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.093 -12.193 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.019 -12.996 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.741 -12.328 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.206 -11.375 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.366 -12.117 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.564 -10.460 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.341 -10.805 -8.543 1.00 0.00 H new ATOM 901 N SER A 58 -1.646 -7.092 -7.249 1.00 0.00 N ATOM 902 CA SER A 58 -1.247 -5.722 -7.008 1.00 0.00 C ATOM 903 C SER A 58 -2.457 -4.882 -6.612 1.00 0.00 C ATOM 904 O SER A 58 -3.598 -5.345 -6.705 1.00 0.00 O ATOM 905 CB SER A 58 -0.580 -5.165 -8.263 1.00 0.00 C ATOM 906 OG SER A 58 0.377 -6.081 -8.766 1.00 0.00 O ATOM 0 H SER A 58 -2.565 -7.190 -7.682 1.00 0.00 H new ATOM 0 HA SER A 58 -0.533 -5.687 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.334 -4.964 -9.024 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.097 -4.215 -8.034 1.00 0.00 H new ATOM 0 HG SER A 58 1.140 -5.588 -9.134 1.00 0.00 H new ATOM 912 N ALA A 59 -2.214 -3.672 -6.138 1.00 0.00 N ATOM 913 CA ALA A 59 -3.294 -2.804 -5.704 1.00 0.00 C ATOM 914 C ALA A 59 -3.062 -1.364 -6.144 1.00 0.00 C ATOM 915 O ALA A 59 -1.921 -0.916 -6.264 1.00 0.00 O ATOM 916 CB ALA A 59 -3.448 -2.883 -4.197 1.00 0.00 C ATOM 0 H ALA A 59 -1.281 -3.270 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.216 -3.147 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.260 -2.229 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.674 -3.909 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.520 -2.568 -3.719 1.00 0.00 H new ATOM 922 N TYR A 60 -4.153 -0.649 -6.389 1.00 0.00 N ATOM 923 CA TYR A 60 -4.084 0.755 -6.771 1.00 0.00 C ATOM 924 C TYR A 60 -5.092 1.563 -5.975 1.00 0.00 C ATOM 925 O TYR A 60 -5.796 1.013 -5.124 1.00 0.00 O ATOM 926 CB TYR A 60 -4.328 0.941 -8.274 1.00 0.00 C ATOM 927 CG TYR A 60 -5.692 0.490 -8.765 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.006 -0.858 -8.875 1.00 0.00 C ATOM 929 CD2 TYR A 60 -6.658 1.418 -9.140 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.242 -1.269 -9.338 1.00 0.00 C ATOM 931 CE2 TYR A 60 -7.896 1.013 -9.603 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.182 -0.332 -9.699 1.00 0.00 C ATOM 933 OH TYR A 60 -9.410 -0.740 -10.161 1.00 0.00 O ATOM 0 H TYR A 60 -5.101 -1.021 -6.329 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.079 1.113 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.201 1.995 -8.519 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.562 0.392 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.272 -1.598 -8.594 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.437 2.473 -9.068 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.469 -2.322 -9.416 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.635 1.747 -9.888 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.958 0.045 -10.372 1.00 0.00 H new ATOM 943 N ALA A 61 -5.163 2.861 -6.268 1.00 0.00 N ATOM 944 CA ALA A 61 -6.011 3.785 -5.516 1.00 0.00 C ATOM 945 C ALA A 61 -5.705 3.686 -4.025 1.00 0.00 C ATOM 946 O ALA A 61 -6.606 3.695 -3.186 1.00 0.00 O ATOM 947 CB ALA A 61 -7.486 3.508 -5.787 1.00 0.00 C ATOM 0 H ALA A 61 -4.640 3.299 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.795 4.801 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.098 4.207 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.690 3.631 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.726 2.488 -5.487 1.00 0.00 H new ATOM 953 N VAL A 62 -4.416 3.605 -3.717 1.00 0.00 N ATOM 954 CA VAL A 62 -3.951 3.378 -2.357 1.00 0.00 C ATOM 955 C VAL A 62 -4.246 4.580 -1.472 1.00 0.00 C ATOM 956 O VAL A 62 -3.546 5.595 -1.510 1.00 0.00 O ATOM 957 CB VAL A 62 -2.438 3.080 -2.327 1.00 0.00 C ATOM 958 CG1 VAL A 62 -1.994 2.647 -0.936 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.077 2.029 -3.370 1.00 0.00 C ATOM 0 H VAL A 62 -3.666 3.695 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.489 2.511 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.906 3.999 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.923 2.443 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.207 3.442 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.533 1.745 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.005 1.833 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.622 1.108 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.345 2.393 -4.362 1.00 0.00 H new ATOM 969 N LYS A 63 -5.305 4.464 -0.700 1.00 0.00 N ATOM 970 CA LYS A 63 -5.725 5.520 0.188 1.00 0.00 C ATOM 971 C LYS A 63 -5.444 5.125 1.628 1.00 0.00 C ATOM 972 O LYS A 63 -6.002 4.146 2.132 1.00 0.00 O ATOM 973 CB LYS A 63 -7.211 5.757 -0.020 1.00 0.00 C ATOM 974 CG LYS A 63 -7.723 7.099 0.462 1.00 0.00 C ATOM 975 CD LYS A 63 -9.165 7.289 0.024 1.00 0.00 C ATOM 976 CE LYS A 63 -9.312 7.054 -1.473 1.00 0.00 C ATOM 977 NZ LYS A 63 -8.835 8.210 -2.280 1.00 0.00 N ATOM 0 H LYS A 63 -5.897 3.634 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.175 6.436 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.433 5.662 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.764 4.970 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.653 7.156 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.103 7.900 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.809 6.599 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.495 8.298 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.752 6.162 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.359 6.859 -1.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.956 8.001 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.386 9.057 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.829 8.381 -2.080 1.00 0.00 H new ATOM 991 N VAL A 64 -4.571 5.875 2.275 1.00 0.00 N ATOM 992 CA VAL A 64 -4.193 5.592 3.653 1.00 0.00 C ATOM 993 C VAL A 64 -5.352 5.913 4.592 1.00 0.00 C ATOM 994 O VAL A 64 -6.158 6.800 4.307 1.00 0.00 O ATOM 995 CB VAL A 64 -2.931 6.390 4.070 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.499 6.053 5.490 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.795 6.125 3.095 1.00 0.00 C ATOM 0 H VAL A 64 -4.107 6.688 1.869 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.956 4.530 3.724 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.184 7.450 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.612 6.631 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.304 6.297 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.271 4.989 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.915 6.691 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.559 5.061 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.096 6.432 2.093 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.445 5.167 5.683 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.493 5.360 6.675 1.00 0.00 C ATOM 1009 C VAL A 65 -5.929 6.054 7.915 1.00 0.00 C ATOM 1010 O VAL A 65 -5.454 5.398 8.847 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.139 4.017 7.082 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.236 4.229 8.114 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.683 3.291 5.862 1.00 0.00 C ATOM 0 H VAL A 65 -4.797 4.411 5.906 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.262 5.988 6.224 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.366 3.396 7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.674 3.268 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.813 4.697 9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.008 4.875 7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.134 2.348 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.436 3.911 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.870 3.093 5.164 1.00 0.00 H new ATOM 1023 N PRO A 66 -5.918 7.393 7.922 1.00 0.00 N ATOM 1024 CA PRO A 66 -5.399 8.157 9.042 1.00 0.00 C ATOM 1025 C PRO A 66 -6.426 8.303 10.156 1.00 0.00 C ATOM 1026 O PRO A 66 -7.627 8.396 9.900 1.00 0.00 O ATOM 1027 CB PRO A 66 -5.081 9.511 8.416 1.00 0.00 C ATOM 1028 CG PRO A 66 -6.071 9.661 7.311 1.00 0.00 C ATOM 1029 CD PRO A 66 -6.424 8.268 6.849 1.00 0.00 C ATOM 0 HA PRO A 66 -4.539 7.680 9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.176 10.316 9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.059 9.542 8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.959 10.190 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.651 10.245 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.500 8.153 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.957 8.035 5.892 1.00 0.00 H new ATOM 1037 N LEU A 67 -5.950 8.300 11.390 1.00 0.00 N ATOM 1038 CA LEU A 67 -6.811 8.511 12.547 1.00 0.00 C ATOM 1039 C LEU A 67 -7.491 9.877 12.472 1.00 0.00 C ATOM 1040 O LEU A 67 -8.553 10.088 13.054 1.00 0.00 O ATOM 1041 CB LEU A 67 -6.018 8.385 13.858 1.00 0.00 C ATOM 1042 CG LEU A 67 -4.947 9.458 14.108 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -4.497 9.421 15.558 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -3.746 9.264 13.193 1.00 0.00 C ATOM 0 H LEU A 67 -4.967 8.153 11.619 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.578 7.737 12.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.724 8.405 14.689 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.535 7.408 13.874 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.391 10.429 13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.738 10.186 15.723 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.351 9.610 16.209 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.079 8.440 15.784 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.006 10.039 13.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.304 8.284 13.375 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.066 9.330 12.153 1.00 0.00 H new ATOM 1056 N GLU A 68 -6.876 10.795 11.744 1.00 0.00 N ATOM 1057 CA GLU A 68 -7.442 12.115 11.535 1.00 0.00 C ATOM 1058 C GLU A 68 -6.761 12.782 10.349 1.00 0.00 C ATOM 1059 O GLU A 68 -7.265 12.749 9.228 1.00 0.00 O ATOM 1060 CB GLU A 68 -7.285 12.972 12.792 1.00 0.00 C ATOM 1061 CG GLU A 68 -7.923 14.345 12.685 1.00 0.00 C ATOM 1062 CD GLU A 68 -7.690 15.181 13.920 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -6.567 15.704 14.082 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -8.622 15.313 14.739 1.00 0.00 O ATOM 0 H GLU A 68 -5.977 10.647 11.285 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.507 12.014 11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.725 12.443 13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.223 13.092 13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.520 14.864 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.995 14.234 12.521 1.00 0.00 H new ATOM 1071 N HIS A 69 -5.598 13.355 10.602 1.00 0.00 N ATOM 1072 CA HIS A 69 -4.817 13.999 9.563 1.00 0.00 C ATOM 1073 C HIS A 69 -3.378 13.517 9.624 1.00 0.00 C ATOM 1074 O HIS A 69 -2.846 13.021 8.632 1.00 0.00 O ATOM 1075 CB HIS A 69 -4.882 15.523 9.720 1.00 0.00 C ATOM 1076 CG HIS A 69 -3.968 16.279 8.799 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -2.843 16.937 9.241 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -4.029 16.497 7.465 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -2.252 17.527 8.221 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -2.949 17.277 7.130 1.00 0.00 N ATOM 0 H HIS A 69 -5.171 13.387 11.528 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.232 13.736 8.590 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.907 15.851 9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.636 15.781 10.750 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.786 16.127 6.789 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.348 18.116 8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.723 17.608 6.192 1.00 0.00 H new ATOM 1089 N HIS A 70 -2.773 13.662 10.808 1.00 0.00 N ATOM 1090 CA HIS A 70 -1.388 13.257 11.057 1.00 0.00 C ATOM 1091 C HIS A 70 -0.422 14.189 10.323 1.00 0.00 C ATOM 1092 O HIS A 70 -0.533 14.395 9.113 1.00 0.00 O ATOM 1093 CB HIS A 70 -1.169 11.796 10.639 1.00 0.00 C ATOM 1094 CG HIS A 70 -0.050 11.107 11.362 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -0.073 10.873 12.719 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.112 10.579 10.910 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.025 10.230 13.071 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.761 10.034 11.994 1.00 0.00 N ATOM 0 H HIS A 70 -3.234 14.066 11.623 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.189 13.333 12.126 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.091 11.240 10.808 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.968 11.763 9.568 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.464 10.585 9.889 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.278 9.917 14.073 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.662 9.557 11.969 1.00 0.00 H new ATOM 1107 N HIS A 71 0.520 14.764 11.061 1.00 0.00 N ATOM 1108 CA HIS A 71 1.412 15.769 10.493 1.00 0.00 C ATOM 1109 C HIS A 71 2.291 15.169 9.399 1.00 0.00 C ATOM 1110 O HIS A 71 2.838 14.075 9.551 1.00 0.00 O ATOM 1111 CB HIS A 71 2.272 16.445 11.582 1.00 0.00 C ATOM 1112 CG HIS A 71 3.398 15.610 12.128 1.00 0.00 C ATOM 1113 ND1 HIS A 71 4.723 15.846 11.820 1.00 0.00 N ATOM 1114 CD2 HIS A 71 3.399 14.562 12.986 1.00 0.00 C ATOM 1115 CE1 HIS A 71 5.484 14.982 12.460 1.00 0.00 C ATOM 1116 NE2 HIS A 71 4.708 14.193 13.175 1.00 0.00 N ATOM 0 H HIS A 71 0.686 14.555 12.045 1.00 0.00 H new ATOM 0 HA HIS A 71 0.788 16.540 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.690 17.364 11.172 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.622 16.732 12.408 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.532 14.102 13.437 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.561 14.929 12.408 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.028 13.431 13.773 1.00 0.00 H new ATOM 1125 N HIS A 72 2.395 15.887 8.292 1.00 0.00 N ATOM 1126 CA HIS A 72 3.202 15.449 7.161 1.00 0.00 C ATOM 1127 C HIS A 72 4.674 15.687 7.444 1.00 0.00 C ATOM 1128 O HIS A 72 5.042 16.753 7.940 1.00 0.00 O ATOM 1129 CB HIS A 72 2.792 16.186 5.885 1.00 0.00 C ATOM 1130 CG HIS A 72 1.509 15.691 5.291 1.00 0.00 C ATOM 1131 ND1 HIS A 72 1.438 14.549 4.530 1.00 0.00 N ATOM 1132 CD2 HIS A 72 0.249 16.185 5.344 1.00 0.00 C ATOM 1133 CE1 HIS A 72 0.193 14.359 4.136 1.00 0.00 C ATOM 1134 NE2 HIS A 72 -0.550 15.337 4.617 1.00 0.00 N ATOM 0 H HIS A 72 1.927 16.782 8.151 1.00 0.00 H new ATOM 0 HA HIS A 72 3.034 14.382 7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.694 17.249 6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.587 16.085 5.146 1.00 0.00 H new ATOM 0 HD1 HIS A 72 2.226 13.942 4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.068 17.079 5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.158 13.542 3.524 1.00 0.00 H new ATOM 1143 N HIS A 73 5.511 14.706 7.134 1.00 0.00 N ATOM 1144 CA HIS A 73 6.933 14.805 7.432 1.00 0.00 C ATOM 1145 C HIS A 73 7.706 13.659 6.784 1.00 0.00 C ATOM 1146 O HIS A 73 7.160 12.572 6.570 1.00 0.00 O ATOM 1147 CB HIS A 73 7.159 14.804 8.950 1.00 0.00 C ATOM 1148 CG HIS A 73 8.516 15.283 9.368 1.00 0.00 C ATOM 1149 ND1 HIS A 73 8.925 16.591 9.229 1.00 0.00 N ATOM 1150 CD2 HIS A 73 9.555 14.626 9.929 1.00 0.00 C ATOM 1151 CE1 HIS A 73 10.156 16.717 9.684 1.00 0.00 C ATOM 1152 NE2 HIS A 73 10.562 15.540 10.115 1.00 0.00 N ATOM 0 H HIS A 73 5.232 13.837 6.679 1.00 0.00 H new ATOM 0 HA HIS A 73 7.303 15.744 7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.403 15.434 9.419 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.011 13.792 9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.587 13.577 10.184 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.733 17.630 9.701 1.00 0.00 H new ATOM 0 HE2 HIS A 73 11.476 15.340 10.521 1.00 0.00 H new ATOM 1161 N HIS A 74 8.971 13.934 6.472 1.00 0.00 N ATOM 1162 CA HIS A 74 9.880 12.973 5.845 1.00 0.00 C ATOM 1163 C HIS A 74 9.871 11.631 6.576 1.00 0.00 C ATOM 1164 O HIS A 74 10.515 11.527 7.642 1.00 0.00 O ATOM 1165 CB HIS A 74 11.298 13.558 5.835 1.00 0.00 C ATOM 1166 CG HIS A 74 12.308 12.733 5.096 1.00 0.00 C ATOM 1167 ND1 HIS A 74 13.315 12.031 5.723 1.00 0.00 N ATOM 1168 CD2 HIS A 74 12.485 12.531 3.770 1.00 0.00 C ATOM 1169 CE1 HIS A 74 14.064 11.436 4.815 1.00 0.00 C ATOM 1170 NE2 HIS A 74 13.583 11.721 3.623 1.00 0.00 N ATOM 1171 OXT HIS A 74 9.232 10.683 6.063 1.00 0.00 O ATOM 0 H HIS A 74 9.400 14.842 6.649 1.00 0.00 H new ATOM 0 HA HIS A 74 9.543 12.792 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.264 14.552 5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.633 13.682 6.865 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.875 12.933 2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.927 10.819 5.016 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.964 11.393 2.735 1.00 0.00 H new TER 1180 HIS A 74