USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -148:sc= -0.338 (180deg=-1.6!) USER MOD Single : A 134 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot -76:sc= 1.01 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.1) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 7.732 5.493 17.217 1.00 0.00 N ATOM 2 CA ASN A 126 7.392 6.357 16.056 1.00 0.00 C ATOM 3 C ASN A 126 8.048 5.845 14.777 1.00 0.00 C ATOM 4 O ASN A 126 9.262 5.647 14.728 1.00 0.00 O ATOM 5 CB ASN A 126 7.861 7.782 16.356 1.00 0.00 C ATOM 6 CG ASN A 126 6.959 8.831 15.736 1.00 0.00 C ATOM 7 OD1 ASN A 126 7.101 9.174 14.562 1.00 0.00 O ATOM 8 ND2 ASN A 126 6.023 9.347 16.524 1.00 0.00 N ATOM 0 HA ASN A 126 6.313 6.341 15.901 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.897 7.930 17.435 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.876 7.913 15.982 1.00 0.00 H new ATOM 0 HD21 ASN A 126 5.386 10.057 16.162 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.941 9.033 17.491 1.00 0.00 H new ATOM 17 N ARG A 127 7.237 5.632 13.747 1.00 0.00 N ATOM 18 CA ARG A 127 7.740 5.142 12.469 1.00 0.00 C ATOM 19 C ARG A 127 6.922 5.703 11.309 1.00 0.00 C ATOM 20 O ARG A 127 5.704 5.532 11.255 1.00 0.00 O ATOM 21 CB ARG A 127 7.707 3.612 12.438 1.00 0.00 C ATOM 22 CG ARG A 127 8.933 2.966 13.061 1.00 0.00 C ATOM 23 CD ARG A 127 10.076 2.866 12.065 1.00 0.00 C ATOM 24 NE ARG A 127 10.960 1.739 12.356 1.00 0.00 N ATOM 25 CZ ARG A 127 12.089 1.493 11.697 1.00 0.00 C ATOM 26 NH1 ARG A 127 12.477 2.292 10.710 1.00 0.00 N ATOM 27 NH2 ARG A 127 12.834 0.447 12.025 1.00 0.00 N ATOM 0 H ARG A 127 6.230 5.791 13.772 1.00 0.00 H new ATOM 0 HA ARG A 127 8.770 5.480 12.359 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.817 3.265 12.963 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.617 3.279 11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 127 9.252 3.548 13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.677 1.971 13.423 1.00 0.00 H new ATOM 0 HD2 ARG A 127 9.671 2.759 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.652 3.791 12.080 1.00 0.00 H new ATOM 0 HE ARG A 127 10.696 1.104 13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 127 11.908 3.099 10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 127 13.344 2.099 10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.542 -0.170 12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 127 13.700 0.259 11.519 1.00 0.00 H new ATOM 41 N ARG A 128 7.601 6.372 10.382 1.00 0.00 N ATOM 42 CA ARG A 128 6.939 6.957 9.222 1.00 0.00 C ATOM 43 C ARG A 128 6.591 5.885 8.196 1.00 0.00 C ATOM 44 O ARG A 128 7.185 4.807 8.184 1.00 0.00 O ATOM 45 CB ARG A 128 7.831 8.023 8.582 1.00 0.00 C ATOM 46 CG ARG A 128 7.103 8.903 7.579 1.00 0.00 C ATOM 47 CD ARG A 128 7.791 10.248 7.414 1.00 0.00 C ATOM 48 NE ARG A 128 7.144 11.295 8.199 1.00 0.00 N ATOM 49 CZ ARG A 128 7.311 12.597 7.978 1.00 0.00 C ATOM 50 NH1 ARG A 128 8.104 13.016 7.000 1.00 0.00 N ATOM 51 NH2 ARG A 128 6.683 13.484 8.738 1.00 0.00 N ATOM 0 H ARG A 128 8.609 6.522 10.412 1.00 0.00 H new ATOM 0 HA ARG A 128 6.014 7.424 9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.251 8.652 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 128 8.668 7.533 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.057 8.396 6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.075 9.057 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.834 10.161 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.787 10.530 6.361 1.00 0.00 H new ATOM 0 HE ARG A 128 6.528 11.012 8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.590 12.339 6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.227 14.015 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.072 13.168 9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.811 14.482 8.569 1.00 0.00 H new ATOM 65 N VAL A 129 5.624 6.186 7.334 1.00 0.00 N ATOM 66 CA VAL A 129 5.199 5.248 6.303 1.00 0.00 C ATOM 67 C VAL A 129 5.653 5.704 4.922 1.00 0.00 C ATOM 68 O VAL A 129 5.732 6.901 4.647 1.00 0.00 O ATOM 69 CB VAL A 129 3.667 5.075 6.296 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.260 3.964 5.340 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.151 4.797 7.701 1.00 0.00 C ATOM 0 H VAL A 129 5.120 7.073 7.330 1.00 0.00 H new ATOM 0 HA VAL A 129 5.665 4.291 6.537 1.00 0.00 H new ATOM 0 HB VAL A 129 3.217 6.005 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.175 3.856 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.592 4.212 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.720 3.027 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.068 4.678 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.607 3.883 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.408 5.630 8.355 1.00 0.00 H new ATOM 81 N ILE A 130 5.953 4.742 4.055 1.00 0.00 N ATOM 82 CA ILE A 130 6.400 5.045 2.700 1.00 0.00 C ATOM 83 C ILE A 130 5.558 4.310 1.662 1.00 0.00 C ATOM 84 O ILE A 130 5.461 3.083 1.684 1.00 0.00 O ATOM 85 CB ILE A 130 7.882 4.667 2.498 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.724 5.163 3.677 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.403 5.239 1.187 1.00 0.00 C ATOM 88 CD1 ILE A 130 8.754 6.670 3.807 1.00 0.00 C ATOM 0 H ILE A 130 5.895 3.746 4.267 1.00 0.00 H new ATOM 0 HA ILE A 130 6.282 6.120 2.565 1.00 0.00 H new ATOM 0 HB ILE A 130 7.961 3.581 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.331 4.735 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.744 4.796 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.450 4.963 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.819 4.839 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.314 6.325 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.369 6.949 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.175 7.105 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.740 7.043 3.951 1.00 0.00 H new ATOM 100 N ALA A 131 4.950 5.068 0.755 1.00 0.00 N ATOM 101 CA ALA A 131 4.118 4.488 -0.293 1.00 0.00 C ATOM 102 C ALA A 131 3.790 5.515 -1.369 1.00 0.00 C ATOM 103 O ALA A 131 3.921 6.720 -1.152 1.00 0.00 O ATOM 104 CB ALA A 131 2.835 3.923 0.298 1.00 0.00 C ATOM 0 H ALA A 131 5.018 6.085 0.725 1.00 0.00 H new ATOM 0 HA ALA A 131 4.682 3.678 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.226 3.494 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.080 3.149 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.279 4.721 0.791 1.00 0.00 H new ATOM 110 N MET A 132 3.358 5.030 -2.527 1.00 0.00 N ATOM 111 CA MET A 132 3.005 5.908 -3.635 1.00 0.00 C ATOM 112 C MET A 132 1.645 6.556 -3.390 1.00 0.00 C ATOM 113 O MET A 132 0.772 5.967 -2.748 1.00 0.00 O ATOM 114 CB MET A 132 2.987 5.130 -4.953 1.00 0.00 C ATOM 115 CG MET A 132 4.149 4.159 -5.105 1.00 0.00 C ATOM 116 SD MET A 132 5.212 4.558 -6.506 1.00 0.00 S ATOM 117 CE MET A 132 4.004 4.692 -7.822 1.00 0.00 C ATOM 0 H MET A 132 3.244 4.035 -2.723 1.00 0.00 H new ATOM 0 HA MET A 132 3.759 6.692 -3.703 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.051 4.577 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 132 3.005 5.837 -5.782 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.743 4.164 -4.191 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.759 3.148 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.453 4.372 -8.762 1.00 0.00 H new ATOM 0 HE2 MET A 132 3.147 4.058 -7.595 1.00 0.00 H new ATOM 0 HE3 MET A 132 3.676 5.728 -7.910 1.00 0.00 H new ATOM 127 N PRO A 133 1.444 7.782 -3.899 1.00 0.00 N ATOM 128 CA PRO A 133 0.185 8.507 -3.730 1.00 0.00 C ATOM 129 C PRO A 133 -1.015 7.687 -4.184 1.00 0.00 C ATOM 130 O PRO A 133 -2.020 7.615 -3.483 1.00 0.00 O ATOM 131 CB PRO A 133 0.352 9.756 -4.609 1.00 0.00 C ATOM 132 CG PRO A 133 1.547 9.488 -5.464 1.00 0.00 C ATOM 133 CD PRO A 133 2.420 8.557 -4.675 1.00 0.00 C ATOM 0 HA PRO A 133 -0.008 8.742 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.535 9.928 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.498 10.648 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.255 9.038 -6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.074 10.413 -5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 133 3.021 7.919 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.112 9.099 -4.030 1.00 0.00 H new ATOM 141 N SER A 134 -0.899 7.065 -5.355 1.00 0.00 N ATOM 142 CA SER A 134 -1.981 6.247 -5.897 1.00 0.00 C ATOM 143 C SER A 134 -2.254 5.051 -4.994 1.00 0.00 C ATOM 144 O SER A 134 -3.392 4.594 -4.883 1.00 0.00 O ATOM 145 CB SER A 134 -1.627 5.767 -7.306 1.00 0.00 C ATOM 146 OG SER A 134 -0.313 5.239 -7.351 1.00 0.00 O ATOM 0 H SER A 134 -0.069 7.112 -5.946 1.00 0.00 H new ATOM 0 HA SER A 134 -2.882 6.859 -5.946 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.339 5.005 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.713 6.596 -8.008 1.00 0.00 H new ATOM 0 HG SER A 134 -0.112 4.938 -8.262 1.00 0.00 H new ATOM 152 N VAL A 135 -1.210 4.557 -4.339 1.00 0.00 N ATOM 153 CA VAL A 135 -1.355 3.426 -3.433 1.00 0.00 C ATOM 154 C VAL A 135 -2.187 3.825 -2.226 1.00 0.00 C ATOM 155 O VAL A 135 -3.057 3.075 -1.782 1.00 0.00 O ATOM 156 CB VAL A 135 0.012 2.898 -2.963 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.159 1.679 -2.067 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.886 2.568 -4.159 1.00 0.00 C ATOM 0 H VAL A 135 -0.260 4.920 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.859 2.629 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 135 0.502 3.677 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.820 1.323 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.750 1.950 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.669 0.890 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.850 2.196 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.399 1.805 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.038 3.466 -4.758 1.00 0.00 H new ATOM 168 N ARG A 136 -1.926 5.020 -1.711 1.00 0.00 N ATOM 169 CA ARG A 136 -2.667 5.527 -0.565 1.00 0.00 C ATOM 170 C ARG A 136 -4.134 5.692 -0.931 1.00 0.00 C ATOM 171 O ARG A 136 -5.023 5.291 -0.180 1.00 0.00 O ATOM 172 CB ARG A 136 -2.082 6.859 -0.096 1.00 0.00 C ATOM 173 CG ARG A 136 -0.911 6.707 0.860 1.00 0.00 C ATOM 174 CD ARG A 136 -1.343 6.887 2.307 1.00 0.00 C ATOM 175 NE ARG A 136 -0.463 7.801 3.033 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.541 9.127 2.953 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.456 9.700 2.180 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.298 9.884 3.648 1.00 0.00 N ATOM 0 H ARG A 136 -1.210 5.653 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.584 4.811 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.758 7.430 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.866 7.439 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.463 5.722 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.143 7.441 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.364 7.268 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.350 5.918 2.806 1.00 0.00 H new ATOM 0 HE ARG A 136 0.254 7.398 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.104 9.123 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.511 10.717 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.003 9.450 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.238 10.900 3.587 1.00 0.00 H new ATOM 192 N LYS A 137 -4.380 6.262 -2.107 1.00 0.00 N ATOM 193 CA LYS A 137 -5.746 6.451 -2.587 1.00 0.00 C ATOM 194 C LYS A 137 -6.382 5.094 -2.819 1.00 0.00 C ATOM 195 O LYS A 137 -7.549 4.872 -2.492 1.00 0.00 O ATOM 196 CB LYS A 137 -5.781 7.258 -3.893 1.00 0.00 C ATOM 197 CG LYS A 137 -4.561 8.120 -4.122 1.00 0.00 C ATOM 198 CD LYS A 137 -4.847 9.255 -5.090 1.00 0.00 C ATOM 199 CE LYS A 137 -5.270 8.731 -6.453 1.00 0.00 C ATOM 200 NZ LYS A 137 -4.776 9.598 -7.559 1.00 0.00 N ATOM 0 H LYS A 137 -3.657 6.599 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.298 7.010 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.887 6.568 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.666 7.894 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -4.222 8.530 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -3.749 7.505 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.633 9.892 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -3.958 9.876 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.889 7.719 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -6.357 8.670 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -5.085 9.207 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -5.160 10.558 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.737 9.636 -7.533 1.00 0.00 H new ATOM 214 N TRP A 138 -5.593 4.182 -3.378 1.00 0.00 N ATOM 215 CA TRP A 138 -6.061 2.834 -3.649 1.00 0.00 C ATOM 216 C TRP A 138 -6.525 2.169 -2.357 1.00 0.00 C ATOM 217 O TRP A 138 -7.645 1.662 -2.269 1.00 0.00 O ATOM 218 CB TRP A 138 -4.947 2.020 -4.312 1.00 0.00 C ATOM 219 CG TRP A 138 -5.224 0.553 -4.376 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.535 -0.430 -3.737 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.260 -0.097 -5.121 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.074 -1.658 -4.038 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.136 -1.479 -4.887 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.280 0.355 -5.963 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -6.993 -2.413 -5.463 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.130 -0.573 -6.535 1.00 0.00 C ATOM 227 CH2 TRP A 138 -7.982 -1.942 -6.284 1.00 0.00 C ATOM 0 H TRP A 138 -4.626 4.356 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.909 2.879 -4.332 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.790 2.394 -5.324 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.018 2.181 -3.765 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.687 -0.269 -3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.739 -2.555 -3.687 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.402 1.409 -6.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -6.882 -3.470 -5.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.922 -0.236 -7.187 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.662 -2.641 -6.748 1.00 0.00 H new ATOM 238 N ALA A 139 -5.666 2.193 -1.347 1.00 0.00 N ATOM 239 CA ALA A 139 -6.000 1.613 -0.058 1.00 0.00 C ATOM 240 C ALA A 139 -7.209 2.322 0.535 1.00 0.00 C ATOM 241 O ALA A 139 -8.140 1.686 1.023 1.00 0.00 O ATOM 242 CB ALA A 139 -4.809 1.700 0.885 1.00 0.00 C ATOM 0 H ALA A 139 -4.735 2.607 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.249 0.561 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.074 1.262 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.966 1.156 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.532 2.745 1.026 1.00 0.00 H new ATOM 248 N ARG A 140 -7.194 3.649 0.476 1.00 0.00 N ATOM 249 CA ARG A 140 -8.294 4.450 0.998 1.00 0.00 C ATOM 250 C ARG A 140 -9.597 4.128 0.272 1.00 0.00 C ATOM 251 O ARG A 140 -10.679 4.232 0.847 1.00 0.00 O ATOM 252 CB ARG A 140 -7.977 5.941 0.861 1.00 0.00 C ATOM 253 CG ARG A 140 -8.950 6.840 1.606 1.00 0.00 C ATOM 254 CD ARG A 140 -9.318 8.068 0.788 1.00 0.00 C ATOM 255 NE ARG A 140 -10.746 8.369 0.865 1.00 0.00 N ATOM 256 CZ ARG A 140 -11.678 7.724 0.168 1.00 0.00 C ATOM 257 NH1 ARG A 140 -11.337 6.742 -0.659 1.00 0.00 N ATOM 258 NH2 ARG A 140 -12.953 8.060 0.297 1.00 0.00 N ATOM 0 H ARG A 140 -6.432 4.193 0.072 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.417 4.206 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.969 6.125 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.983 6.210 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.853 6.279 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.507 7.152 2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.747 8.925 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.037 7.908 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.046 9.117 1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -10.357 6.479 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -12.055 6.251 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.220 8.813 0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -13.667 7.565 -0.237 1.00 0.00 H new ATOM 272 N GLU A 141 -9.487 3.736 -0.996 1.00 0.00 N ATOM 273 CA GLU A 141 -10.662 3.401 -1.792 1.00 0.00 C ATOM 274 C GLU A 141 -11.184 2.011 -1.433 1.00 0.00 C ATOM 275 O GLU A 141 -12.383 1.745 -1.521 1.00 0.00 O ATOM 276 CB GLU A 141 -10.342 3.501 -3.295 1.00 0.00 C ATOM 277 CG GLU A 141 -9.773 2.231 -3.917 1.00 0.00 C ATOM 278 CD GLU A 141 -10.708 1.614 -4.940 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.298 2.371 -5.738 1.00 0.00 O ATOM 280 OE2 GLU A 141 -10.851 0.372 -4.941 1.00 0.00 O ATOM 0 H GLU A 141 -8.600 3.643 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.448 4.121 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -11.253 3.772 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -9.630 4.313 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -8.819 2.459 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.571 1.504 -3.130 1.00 0.00 H new ATOM 287 N LYS A 142 -10.275 1.128 -1.029 1.00 0.00 N ATOM 288 CA LYS A 142 -10.645 -0.234 -0.656 1.00 0.00 C ATOM 289 C LYS A 142 -10.853 -0.367 0.854 1.00 0.00 C ATOM 290 O LYS A 142 -11.262 -1.421 1.338 1.00 0.00 O ATOM 291 CB LYS A 142 -9.569 -1.218 -1.120 1.00 0.00 C ATOM 292 CG LYS A 142 -10.131 -2.534 -1.637 1.00 0.00 C ATOM 293 CD LYS A 142 -9.794 -2.747 -3.105 1.00 0.00 C ATOM 294 CE LYS A 142 -9.982 -4.199 -3.513 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.378 -4.476 -3.952 1.00 0.00 N ATOM 0 H LYS A 142 -9.278 1.331 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.589 -0.467 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.976 -0.751 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -8.893 -1.422 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.730 -3.358 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -11.213 -2.545 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -10.428 -2.109 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.763 -2.446 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -9.292 -4.441 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.730 -4.847 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.465 -5.477 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -12.035 -4.269 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.611 -3.876 -4.769 1.00 0.00 H new ATOM 309 N GLY A 143 -10.564 0.701 1.595 1.00 0.00 N ATOM 310 CA GLY A 143 -10.725 0.667 3.038 1.00 0.00 C ATOM 311 C GLY A 143 -9.429 0.337 3.760 1.00 0.00 C ATOM 312 O GLY A 143 -9.351 0.438 4.985 1.00 0.00 O ATOM 0 H GLY A 143 -10.222 1.587 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.093 1.633 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.481 -0.073 3.299 1.00 0.00 H new ATOM 316 N VAL A 144 -8.413 -0.059 3.000 1.00 0.00 N ATOM 317 CA VAL A 144 -7.115 -0.405 3.566 1.00 0.00 C ATOM 318 C VAL A 144 -6.281 0.836 3.859 1.00 0.00 C ATOM 319 O VAL A 144 -6.335 1.822 3.124 1.00 0.00 O ATOM 320 CB VAL A 144 -6.313 -1.317 2.619 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.076 -1.852 3.325 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.183 -2.458 2.111 1.00 0.00 C ATOM 0 H VAL A 144 -8.465 -0.148 1.985 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.319 -0.933 4.497 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.991 -0.730 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.518 -2.495 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.445 -1.019 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.377 -2.426 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.599 -3.091 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.537 -3.050 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.037 -2.051 1.570 1.00 0.00 H new ATOM 332 N ASP A 145 -5.502 0.774 4.932 1.00 0.00 N ATOM 333 CA ASP A 145 -4.642 1.883 5.319 1.00 0.00 C ATOM 334 C ASP A 145 -3.182 1.553 5.017 1.00 0.00 C ATOM 335 O ASP A 145 -2.705 0.465 5.330 1.00 0.00 O ATOM 336 CB ASP A 145 -4.813 2.197 6.806 1.00 0.00 C ATOM 337 CG ASP A 145 -4.072 3.453 7.223 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.153 3.872 6.489 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.411 4.017 8.285 1.00 0.00 O ATOM 0 H ASP A 145 -5.449 -0.035 5.550 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.930 2.761 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.873 2.313 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.453 1.354 7.396 1.00 0.00 H new ATOM 344 N ILE A 146 -2.477 2.490 4.400 1.00 0.00 N ATOM 345 CA ILE A 146 -1.076 2.280 4.058 1.00 0.00 C ATOM 346 C ILE A 146 -0.244 1.977 5.303 1.00 0.00 C ATOM 347 O ILE A 146 0.673 1.157 5.269 1.00 0.00 O ATOM 348 CB ILE A 146 -0.493 3.510 3.327 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.638 3.083 2.394 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.004 4.560 4.319 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.172 2.217 1.242 1.00 0.00 C ATOM 0 H ILE A 146 -2.849 3.400 4.127 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.030 1.420 3.390 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.287 3.960 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.126 3.973 1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.387 2.538 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.401 5.414 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.836 4.888 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.774 4.130 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 146 1.026 1.950 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.290 1.310 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.555 2.767 0.644 1.00 0.00 H new ATOM 363 N ARG A 147 -0.570 2.659 6.393 1.00 0.00 N ATOM 364 CA ARG A 147 0.143 2.491 7.658 1.00 0.00 C ATOM 365 C ARG A 147 0.188 1.030 8.112 1.00 0.00 C ATOM 366 O ARG A 147 1.039 0.659 8.922 1.00 0.00 O ATOM 367 CB ARG A 147 -0.509 3.348 8.744 1.00 0.00 C ATOM 368 CG ARG A 147 -0.749 4.787 8.320 1.00 0.00 C ATOM 369 CD ARG A 147 -0.571 5.748 9.484 1.00 0.00 C ATOM 370 NE ARG A 147 -0.690 7.143 9.065 1.00 0.00 N ATOM 371 CZ ARG A 147 -0.305 8.177 9.809 1.00 0.00 C ATOM 372 NH1 ARG A 147 0.222 7.980 11.011 1.00 0.00 N ATOM 373 NH2 ARG A 147 -0.448 9.414 9.351 1.00 0.00 N ATOM 0 H ARG A 147 -1.329 3.339 6.429 1.00 0.00 H new ATOM 0 HA ARG A 147 1.171 2.815 7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.460 2.898 9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.125 3.340 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.058 5.052 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.757 4.885 7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.318 5.534 10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.406 5.588 9.940 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.092 7.336 8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.334 7.032 11.370 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.515 8.777 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.853 9.573 8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.153 10.206 9.921 1.00 0.00 H new ATOM 387 N LEU A 148 -0.722 0.202 7.603 1.00 0.00 N ATOM 388 CA LEU A 148 -0.754 -1.210 7.990 1.00 0.00 C ATOM 389 C LEU A 148 -0.324 -2.116 6.843 1.00 0.00 C ATOM 390 O LEU A 148 -0.743 -3.269 6.767 1.00 0.00 O ATOM 391 CB LEU A 148 -2.151 -1.621 8.466 1.00 0.00 C ATOM 392 CG LEU A 148 -3.309 -1.037 7.662 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.573 -1.873 6.420 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.563 -0.950 8.514 1.00 0.00 C ATOM 0 H LEU A 148 -1.438 0.477 6.931 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.047 -1.328 8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.222 -2.708 8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.265 -1.321 9.508 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.032 -0.030 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.402 -1.441 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.681 -1.887 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.826 -2.892 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.377 -0.531 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.840 -1.947 8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.374 -0.309 9.375 1.00 0.00 H new ATOM 406 N VAL A 149 0.511 -1.597 5.952 1.00 0.00 N ATOM 407 CA VAL A 149 0.981 -2.381 4.817 1.00 0.00 C ATOM 408 C VAL A 149 2.501 -2.347 4.704 1.00 0.00 C ATOM 409 O VAL A 149 3.097 -1.291 4.493 1.00 0.00 O ATOM 410 CB VAL A 149 0.365 -1.885 3.496 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.723 -2.825 2.357 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.147 -1.748 3.627 1.00 0.00 C ATOM 0 H VAL A 149 0.874 -0.645 5.992 1.00 0.00 H new ATOM 0 HA VAL A 149 0.662 -3.408 4.995 1.00 0.00 H new ATOM 0 HB VAL A 149 0.777 -0.901 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.280 -2.460 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.807 -2.869 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.340 -3.822 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.564 -1.396 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.580 -2.717 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.381 -1.033 4.416 1.00 0.00 H new ATOM 422 N GLN A 150 3.122 -3.515 4.841 1.00 0.00 N ATOM 423 CA GLN A 150 4.572 -3.627 4.749 1.00 0.00 C ATOM 424 C GLN A 150 5.019 -3.623 3.290 1.00 0.00 C ATOM 425 O GLN A 150 5.370 -4.665 2.735 1.00 0.00 O ATOM 426 CB GLN A 150 5.053 -4.904 5.442 1.00 0.00 C ATOM 427 CG GLN A 150 6.560 -5.100 5.381 1.00 0.00 C ATOM 428 CD GLN A 150 7.138 -5.582 6.697 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.775 -6.648 7.195 1.00 0.00 O ATOM 430 NE2 GLN A 150 8.043 -4.796 7.268 1.00 0.00 N ATOM 0 H GLN A 150 2.642 -4.398 5.016 1.00 0.00 H new ATOM 0 HA GLN A 150 5.014 -2.766 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.740 -4.881 6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.564 -5.763 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.798 -5.820 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 150 7.034 -4.159 5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.314 -3.921 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 150 8.467 -5.067 8.155 1.00 0.00 H new ATOM 439 N GLY A 151 4.998 -2.445 2.675 1.00 0.00 N ATOM 440 CA GLY A 151 5.397 -2.323 1.285 1.00 0.00 C ATOM 441 C GLY A 151 6.758 -2.932 1.007 1.00 0.00 C ATOM 442 O GLY A 151 7.595 -3.032 1.903 1.00 0.00 O ATOM 0 H GLY A 151 4.711 -1.571 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.652 -2.808 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.412 -1.269 1.008 1.00 0.00 H new ATOM 446 N THR A 152 6.978 -3.341 -0.239 1.00 0.00 N ATOM 447 CA THR A 152 8.246 -3.944 -0.636 1.00 0.00 C ATOM 448 C THR A 152 8.942 -3.107 -1.708 1.00 0.00 C ATOM 449 O THR A 152 9.786 -3.612 -2.449 1.00 0.00 O ATOM 450 CB THR A 152 8.018 -5.365 -1.154 1.00 0.00 C ATOM 451 OG1 THR A 152 6.920 -5.402 -2.049 1.00 0.00 O ATOM 452 CG2 THR A 152 7.748 -6.368 -0.053 1.00 0.00 C ATOM 0 H THR A 152 6.294 -3.266 -0.992 1.00 0.00 H new ATOM 0 HA THR A 152 8.890 -3.981 0.243 1.00 0.00 H new ATOM 0 HB THR A 152 8.945 -5.642 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 152 6.083 -5.353 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.595 -7.355 -0.489 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.599 -6.400 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.855 -6.073 0.497 1.00 0.00 H new ATOM 460 N GLY A 153 8.583 -1.829 -1.787 1.00 0.00 N ATOM 461 CA GLY A 153 9.185 -0.952 -2.775 1.00 0.00 C ATOM 462 C GLY A 153 10.565 -0.472 -2.368 1.00 0.00 C ATOM 463 O GLY A 153 10.698 0.516 -1.647 1.00 0.00 O ATOM 0 H GLY A 153 7.888 -1.386 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.254 -1.478 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.537 -0.090 -2.933 1.00 0.00 H new ATOM 467 N LYS A 154 11.594 -1.174 -2.835 1.00 0.00 N ATOM 468 CA LYS A 154 12.976 -0.820 -2.522 1.00 0.00 C ATOM 469 C LYS A 154 13.210 -0.788 -1.012 1.00 0.00 C ATOM 470 O LYS A 154 13.655 -1.775 -0.426 1.00 0.00 O ATOM 471 CB LYS A 154 13.330 0.533 -3.143 1.00 0.00 C ATOM 472 CG LYS A 154 13.806 0.435 -4.583 1.00 0.00 C ATOM 473 CD LYS A 154 12.638 0.444 -5.558 1.00 0.00 C ATOM 474 CE LYS A 154 12.435 1.819 -6.172 1.00 0.00 C ATOM 475 NZ LYS A 154 11.170 1.895 -6.954 1.00 0.00 N ATOM 0 H LYS A 154 11.496 -1.994 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 154 13.625 -1.586 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.456 1.182 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 154 14.107 1.006 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.473 1.268 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.384 -0.479 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 154 12.817 -0.285 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 154 11.729 0.138 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 154 12.420 2.571 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 154 13.278 2.055 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 11.068 2.848 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 11.195 1.195 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 10.363 1.695 -6.329 1.00 0.00 H new ATOM 489 N ASN A 155 12.907 0.346 -0.386 1.00 0.00 N ATOM 490 CA ASN A 155 13.086 0.495 1.054 1.00 0.00 C ATOM 491 C ASN A 155 11.843 0.039 1.817 1.00 0.00 C ATOM 492 O ASN A 155 11.772 0.175 3.038 1.00 0.00 O ATOM 493 CB ASN A 155 13.401 1.951 1.401 1.00 0.00 C ATOM 494 CG ASN A 155 14.519 2.519 0.547 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.195 1.788 -0.177 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.720 3.829 0.632 1.00 0.00 N ATOM 0 H ASN A 155 12.537 1.174 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 155 13.923 -0.137 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.504 2.556 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 155 13.680 2.019 2.453 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.459 4.268 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 155 14.135 4.396 1.246 1.00 0.00 H new ATOM 503 N GLY A 156 10.866 -0.504 1.094 1.00 0.00 N ATOM 504 CA GLY A 156 9.646 -0.967 1.728 1.00 0.00 C ATOM 505 C GLY A 156 8.444 -0.113 1.373 1.00 0.00 C ATOM 506 O GLY A 156 7.482 -0.037 2.135 1.00 0.00 O ATOM 0 H GLY A 156 10.899 -0.631 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.455 -1.998 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.780 -0.967 2.810 1.00 0.00 H new ATOM 510 N ARG A 157 8.502 0.532 0.212 1.00 0.00 N ATOM 511 CA ARG A 157 7.411 1.387 -0.243 1.00 0.00 C ATOM 512 C ARG A 157 6.223 0.552 -0.715 1.00 0.00 C ATOM 513 O ARG A 157 6.347 -0.254 -1.637 1.00 0.00 O ATOM 514 CB ARG A 157 7.891 2.298 -1.376 1.00 0.00 C ATOM 515 CG ARG A 157 6.948 3.453 -1.666 1.00 0.00 C ATOM 516 CD ARG A 157 7.547 4.426 -2.669 1.00 0.00 C ATOM 517 NE ARG A 157 7.354 5.816 -2.263 1.00 0.00 N ATOM 518 CZ ARG A 157 7.410 6.849 -3.101 1.00 0.00 C ATOM 519 NH1 ARG A 157 7.654 6.655 -4.392 1.00 0.00 N ATOM 520 NH2 ARG A 157 7.220 8.080 -2.648 1.00 0.00 N ATOM 0 H ARG A 157 9.292 0.479 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 157 7.088 2.001 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.873 2.696 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.014 1.704 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.005 3.066 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.720 3.979 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.613 4.224 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.091 4.267 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 157 7.165 6.006 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.800 5.710 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 157 7.695 7.451 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.031 8.236 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 157 7.263 8.872 -3.290 1.00 0.00 H new ATOM 534 N VAL A 158 5.074 0.752 -0.076 1.00 0.00 N ATOM 535 CA VAL A 158 3.865 0.018 -0.432 1.00 0.00 C ATOM 536 C VAL A 158 3.361 0.423 -1.812 1.00 0.00 C ATOM 537 O VAL A 158 2.955 1.566 -2.026 1.00 0.00 O ATOM 538 CB VAL A 158 2.743 0.250 0.599 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.541 -0.632 0.291 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.250 -0.006 2.010 1.00 0.00 C ATOM 0 H VAL A 158 4.955 1.415 0.690 1.00 0.00 H new ATOM 0 HA VAL A 158 4.129 -1.039 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 158 2.428 1.291 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.760 -0.454 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.161 -0.395 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.840 -1.680 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.443 0.163 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.596 -1.037 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.075 0.672 2.229 1.00 0.00 H new ATOM 550 N LEU A 159 3.385 -0.522 -2.744 1.00 0.00 N ATOM 551 CA LEU A 159 2.926 -0.269 -4.104 1.00 0.00 C ATOM 552 C LEU A 159 1.563 -0.912 -4.336 1.00 0.00 C ATOM 553 O LEU A 159 1.083 -1.686 -3.507 1.00 0.00 O ATOM 554 CB LEU A 159 3.937 -0.810 -5.118 1.00 0.00 C ATOM 555 CG LEU A 159 5.406 -0.674 -4.712 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.259 -1.695 -5.447 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.906 0.736 -4.986 1.00 0.00 C ATOM 0 H LEU A 159 3.718 -1.472 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 159 2.833 0.809 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.722 -1.864 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.789 -0.292 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 159 5.487 -0.866 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.301 -1.583 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.916 -2.700 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.173 -1.535 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.952 0.815 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.811 0.955 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.313 1.450 -4.414 1.00 0.00 H new ATOM 569 N LYS A 160 0.942 -0.591 -5.468 1.00 0.00 N ATOM 570 CA LYS A 160 -0.366 -1.145 -5.802 1.00 0.00 C ATOM 571 C LYS A 160 -0.366 -2.663 -5.647 1.00 0.00 C ATOM 572 O LYS A 160 -1.385 -3.265 -5.306 1.00 0.00 O ATOM 573 CB LYS A 160 -0.759 -0.763 -7.231 1.00 0.00 C ATOM 574 CG LYS A 160 -2.221 -0.371 -7.374 1.00 0.00 C ATOM 575 CD LYS A 160 -2.739 -0.647 -8.777 1.00 0.00 C ATOM 576 CE LYS A 160 -2.720 0.607 -9.636 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.132 0.350 -10.980 1.00 0.00 N ATOM 0 H LYS A 160 1.322 0.047 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.098 -0.726 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.135 0.067 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.550 -1.603 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.819 -0.923 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.339 0.688 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.129 -1.419 -9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.756 -1.035 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.736 0.984 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.146 1.384 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.137 1.229 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -1.154 0.014 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -2.694 -0.373 -11.472 1.00 0.00 H new ATOM 591 N GLU A 161 0.790 -3.274 -5.892 1.00 0.00 N ATOM 592 CA GLU A 161 0.930 -4.719 -5.772 1.00 0.00 C ATOM 593 C GLU A 161 0.881 -5.143 -4.309 1.00 0.00 C ATOM 594 O GLU A 161 0.268 -6.153 -3.963 1.00 0.00 O ATOM 595 CB GLU A 161 2.245 -5.179 -6.405 1.00 0.00 C ATOM 596 CG GLU A 161 2.457 -6.683 -6.340 1.00 0.00 C ATOM 597 CD GLU A 161 3.004 -7.252 -7.634 1.00 0.00 C ATOM 598 OE1 GLU A 161 3.931 -6.642 -8.207 1.00 0.00 O ATOM 599 OE2 GLU A 161 2.503 -8.307 -8.076 1.00 0.00 O ATOM 0 H GLU A 161 1.642 -2.790 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 161 0.099 -5.188 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.267 -4.862 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.074 -4.681 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 161 3.145 -6.914 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.510 -7.170 -6.105 1.00 0.00 H new ATOM 606 N ASP A 162 1.525 -4.358 -3.449 1.00 0.00 N ATOM 607 CA ASP A 162 1.549 -4.650 -2.023 1.00 0.00 C ATOM 608 C ASP A 162 0.139 -4.615 -1.448 1.00 0.00 C ATOM 609 O ASP A 162 -0.262 -5.510 -0.705 1.00 0.00 O ATOM 610 CB ASP A 162 2.441 -3.648 -1.287 1.00 0.00 C ATOM 611 CG ASP A 162 3.916 -3.956 -1.454 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.361 -5.018 -0.968 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.628 -3.135 -2.071 1.00 0.00 O ATOM 0 H ASP A 162 2.036 -3.517 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 162 1.958 -5.651 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.238 -2.644 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.189 -3.652 -0.226 1.00 0.00 H new ATOM 618 N ILE A 163 -0.614 -3.579 -1.806 1.00 0.00 N ATOM 619 CA ILE A 163 -1.984 -3.440 -1.334 1.00 0.00 C ATOM 620 C ILE A 163 -2.829 -4.616 -1.806 1.00 0.00 C ATOM 621 O ILE A 163 -3.495 -5.277 -1.008 1.00 0.00 O ATOM 622 CB ILE A 163 -2.623 -2.124 -1.820 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.725 -0.934 -1.473 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.003 -1.946 -1.204 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.530 -0.739 0.014 1.00 0.00 C ATOM 0 H ILE A 163 -0.298 -2.827 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 163 -1.952 -3.424 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.731 -2.171 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.752 -1.074 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.157 -0.027 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.441 -1.012 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.642 -2.780 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.916 -1.918 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.883 0.121 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.496 -0.568 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.070 -1.630 0.441 1.00 0.00 H new ATOM 637 N ASP A 164 -2.784 -4.884 -3.110 1.00 0.00 N ATOM 638 CA ASP A 164 -3.533 -5.995 -3.686 1.00 0.00 C ATOM 639 C ASP A 164 -3.198 -7.291 -2.957 1.00 0.00 C ATOM 640 O ASP A 164 -4.053 -8.161 -2.785 1.00 0.00 O ATOM 641 CB ASP A 164 -3.218 -6.135 -5.176 1.00 0.00 C ATOM 642 CG ASP A 164 -4.064 -7.198 -5.848 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.012 -8.365 -5.407 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.779 -6.863 -6.817 1.00 0.00 O ATOM 0 H ASP A 164 -2.238 -4.348 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.598 -5.791 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -3.382 -5.178 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.164 -6.382 -5.300 1.00 0.00 H new ATOM 649 N ALA A 165 -1.948 -7.401 -2.516 1.00 0.00 N ATOM 650 CA ALA A 165 -1.498 -8.579 -1.787 1.00 0.00 C ATOM 651 C ALA A 165 -2.046 -8.561 -0.367 1.00 0.00 C ATOM 652 O ALA A 165 -2.352 -9.605 0.209 1.00 0.00 O ATOM 653 CB ALA A 165 0.022 -8.646 -1.774 1.00 0.00 C ATOM 0 H ALA A 165 -1.231 -6.689 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.876 -9.468 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.342 -9.532 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.393 -8.699 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.421 -7.755 -1.289 1.00 0.00 H new ATOM 659 N PHE A 166 -2.177 -7.359 0.187 1.00 0.00 N ATOM 660 CA PHE A 166 -2.701 -7.188 1.534 1.00 0.00 C ATOM 661 C PHE A 166 -4.119 -7.738 1.625 1.00 0.00 C ATOM 662 O PHE A 166 -4.468 -8.441 2.573 1.00 0.00 O ATOM 663 CB PHE A 166 -2.687 -5.708 1.922 1.00 0.00 C ATOM 664 CG PHE A 166 -3.274 -5.436 3.276 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.646 -5.432 3.462 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.451 -5.181 4.360 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.189 -5.180 4.708 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.987 -4.927 5.609 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.358 -4.928 5.783 1.00 0.00 C ATOM 0 H PHE A 166 -1.926 -6.488 -0.280 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.066 -7.741 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.659 -5.345 1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.241 -5.140 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.299 -5.628 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.379 -5.181 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.261 -5.180 4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.335 -4.728 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.779 -4.732 6.758 1.00 0.00 H new ATOM 679 N LEU A 167 -4.934 -7.413 0.625 1.00 0.00 N ATOM 680 CA LEU A 167 -6.313 -7.870 0.581 1.00 0.00 C ATOM 681 C LEU A 167 -6.387 -9.333 0.154 1.00 0.00 C ATOM 682 O LEU A 167 -7.254 -10.080 0.608 1.00 0.00 O ATOM 683 CB LEU A 167 -7.118 -7.002 -0.384 1.00 0.00 C ATOM 684 CG LEU A 167 -7.355 -5.563 0.077 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.912 -5.536 1.493 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.065 -4.759 -0.013 1.00 0.00 C ATOM 0 H LEU A 167 -4.658 -6.832 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.737 -7.784 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.602 -6.979 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.085 -7.476 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.092 -5.105 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.073 -4.503 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.859 -6.075 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.203 -6.011 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.249 -3.737 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.307 -5.215 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.714 -4.748 -1.045 1.00 0.00 H new ATOM 698 N ALA A 168 -5.472 -9.733 -0.723 1.00 0.00 N ATOM 699 CA ALA A 168 -5.433 -11.105 -1.213 1.00 0.00 C ATOM 700 C ALA A 168 -5.108 -12.085 -0.089 1.00 0.00 C ATOM 701 O ALA A 168 -5.461 -13.263 -0.159 1.00 0.00 O ATOM 702 CB ALA A 168 -4.415 -11.236 -2.337 1.00 0.00 C ATOM 0 H ALA A 168 -4.748 -9.126 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.422 -11.352 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.397 -12.266 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -4.691 -10.573 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.427 -10.963 -1.967 1.00 0.00 H new ATOM 708 N GLY A 169 -4.435 -11.592 0.947 1.00 0.00 N ATOM 709 CA GLY A 169 -4.077 -12.439 2.070 1.00 0.00 C ATOM 710 C GLY A 169 -5.282 -13.109 2.702 1.00 0.00 C ATOM 711 O GLY A 169 -5.165 -14.181 3.295 1.00 0.00 O ATOM 0 H GLY A 169 -4.132 -10.622 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.375 -13.203 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -3.562 -11.841 2.822 1.00 0.00 H new ATOM 715 N GLY A 170 -6.444 -12.476 2.574 1.00 0.00 N ATOM 716 CA GLY A 170 -7.657 -13.032 3.142 1.00 0.00 C ATOM 717 C GLY A 170 -8.842 -12.096 3.014 1.00 0.00 C ATOM 718 O GLY A 170 -8.737 -10.938 3.470 1.00 0.00 O ATOM 719 OXT GLY A 170 -9.876 -12.519 2.455 1.00 0.00 O ATOM 0 H GLY A 170 -6.566 -11.588 2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -7.888 -13.974 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -7.490 -13.259 4.195 1.00 0.00 H new TER 723 GLY A 170