USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 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= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 132 MET CE :methyl -160:sc= -0.0404 (180deg=-0.374) USER MOD Single : A 134 SER OG : rot 180:sc= 0.034 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 K(o=0,f=-0.79) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 166:sc=-0.00315 (180deg=-0.0453) USER MOD Single : A 155 ASN : amide:sc= -2.13 K(o=-2.1,f=-4.2!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 11.418 6.534 12.441 1.00 0.00 N ATOM 2 CA ASN A 126 10.253 6.129 11.612 1.00 0.00 C ATOM 3 C ASN A 126 8.954 6.702 12.169 1.00 0.00 C ATOM 4 O ASN A 126 8.616 6.482 13.333 1.00 0.00 O ATOM 5 CB ASN A 126 10.186 4.601 11.580 1.00 0.00 C ATOM 6 CG ASN A 126 10.916 4.014 10.388 1.00 0.00 C ATOM 7 OD1 ASN A 126 11.534 4.738 9.606 1.00 0.00 O ATOM 8 ND2 ASN A 126 10.849 2.696 10.242 1.00 0.00 N ATOM 0 HA ASN A 126 10.378 6.521 10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.617 4.202 12.498 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.143 4.286 11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.321 2.245 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.326 2.134 10.914 1.00 0.00 H new ATOM 17 N ARG A 127 8.230 7.436 11.331 1.00 0.00 N ATOM 18 CA ARG A 127 6.967 8.041 11.740 1.00 0.00 C ATOM 19 C ARG A 127 5.959 8.022 10.597 1.00 0.00 C ATOM 20 O ARG A 127 4.802 7.646 10.779 1.00 0.00 O ATOM 21 CB ARG A 127 7.193 9.478 12.212 1.00 0.00 C ATOM 22 CG ARG A 127 7.634 9.582 13.662 1.00 0.00 C ATOM 23 CD ARG A 127 6.481 9.970 14.574 1.00 0.00 C ATOM 24 NE ARG A 127 6.419 11.414 14.796 1.00 0.00 N ATOM 25 CZ ARG A 127 5.577 12.234 14.165 1.00 0.00 C ATOM 26 NH1 ARG A 127 4.724 11.765 13.263 1.00 0.00 N ATOM 27 NH2 ARG A 127 5.592 13.531 14.440 1.00 0.00 N ATOM 0 H ARG A 127 8.496 7.627 10.365 1.00 0.00 H new ATOM 0 HA ARG A 127 6.564 7.455 12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 127 7.947 9.945 11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.271 10.044 12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.049 8.627 13.986 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.431 10.321 13.748 1.00 0.00 H new ATOM 0 HD2 ARG A 127 5.542 9.630 14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.589 9.460 15.532 1.00 0.00 H new ATOM 0 HE ARG A 127 7.061 11.820 15.477 1.00 0.00 H new ATOM 0 HH11 ARG A 127 4.708 10.768 13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.085 12.401 12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 127 6.246 13.898 15.132 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.950 14.162 13.960 1.00 0.00 H new ATOM 41 N ARG A 128 6.412 8.431 9.419 1.00 0.00 N ATOM 42 CA ARG A 128 5.555 8.464 8.238 1.00 0.00 C ATOM 43 C ARG A 128 5.819 7.261 7.340 1.00 0.00 C ATOM 44 O ARG A 128 6.961 6.991 6.967 1.00 0.00 O ATOM 45 CB ARG A 128 5.783 9.758 7.455 1.00 0.00 C ATOM 46 CG ARG A 128 4.659 10.088 6.486 1.00 0.00 C ATOM 47 CD ARG A 128 3.430 10.611 7.213 1.00 0.00 C ATOM 48 NE ARG A 128 3.537 12.037 7.517 1.00 0.00 N ATOM 49 CZ ARG A 128 4.020 12.524 8.659 1.00 0.00 C ATOM 50 NH1 ARG A 128 4.449 11.705 9.613 1.00 0.00 N ATOM 51 NH2 ARG A 128 4.075 13.835 8.848 1.00 0.00 N ATOM 0 H ARG A 128 7.368 8.745 9.254 1.00 0.00 H new ATOM 0 HA ARG A 128 4.518 8.425 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.899 10.583 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.718 9.678 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.003 10.833 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.394 9.197 5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.545 10.437 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.292 10.053 8.139 1.00 0.00 H new ATOM 0 HE ARG A 128 3.222 12.701 6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.410 10.695 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.817 12.086 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 128 3.748 14.469 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 128 4.445 14.209 9.722 1.00 0.00 H new ATOM 65 N VAL A 129 4.756 6.542 6.994 1.00 0.00 N ATOM 66 CA VAL A 129 4.876 5.368 6.137 1.00 0.00 C ATOM 67 C VAL A 129 5.375 5.755 4.750 1.00 0.00 C ATOM 68 O VAL A 129 5.268 6.913 4.342 1.00 0.00 O ATOM 69 CB VAL A 129 3.531 4.630 6.001 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.714 3.319 5.253 1.00 0.00 C ATOM 71 CG2 VAL A 129 2.909 4.389 7.369 1.00 0.00 C ATOM 0 H VAL A 129 3.804 6.751 7.293 1.00 0.00 H new ATOM 0 HA VAL A 129 5.598 4.702 6.609 1.00 0.00 H new ATOM 0 HB VAL A 129 2.852 5.259 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.753 2.812 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.109 3.520 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.412 2.683 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.960 3.867 7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.584 3.783 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.738 5.345 7.864 1.00 0.00 H new ATOM 81 N ILE A 130 5.922 4.784 4.028 1.00 0.00 N ATOM 82 CA ILE A 130 6.440 5.027 2.688 1.00 0.00 C ATOM 83 C ILE A 130 5.618 4.292 1.634 1.00 0.00 C ATOM 84 O ILE A 130 5.521 3.066 1.652 1.00 0.00 O ATOM 85 CB ILE A 130 7.913 4.593 2.567 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.732 5.147 3.736 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.495 5.058 1.240 1.00 0.00 C ATOM 88 CD1 ILE A 130 10.014 4.385 3.990 1.00 0.00 C ATOM 0 H ILE A 130 6.018 3.821 4.349 1.00 0.00 H new ATOM 0 HA ILE A 130 6.369 6.101 2.515 1.00 0.00 H new ATOM 0 HB ILE A 130 7.958 3.504 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.973 6.191 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.122 5.126 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.536 4.744 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.927 4.619 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.439 6.145 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.543 4.833 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.780 3.346 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.644 4.427 3.102 1.00 0.00 H new ATOM 100 N ALA A 131 5.030 5.053 0.715 1.00 0.00 N ATOM 101 CA ALA A 131 4.218 4.477 -0.351 1.00 0.00 C ATOM 102 C ALA A 131 3.868 5.527 -1.397 1.00 0.00 C ATOM 103 O ALA A 131 4.001 6.727 -1.155 1.00 0.00 O ATOM 104 CB ALA A 131 2.949 3.862 0.218 1.00 0.00 C ATOM 0 H ALA A 131 5.101 6.070 0.688 1.00 0.00 H new ATOM 0 HA ALA A 131 4.803 3.694 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.356 3.437 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.211 3.076 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.369 4.631 0.728 1.00 0.00 H new ATOM 110 N MET A 132 3.413 5.069 -2.558 1.00 0.00 N ATOM 111 CA MET A 132 3.038 5.975 -3.635 1.00 0.00 C ATOM 112 C MET A 132 1.682 6.614 -3.346 1.00 0.00 C ATOM 113 O MET A 132 0.778 5.961 -2.821 1.00 0.00 O ATOM 114 CB MET A 132 2.993 5.232 -4.971 1.00 0.00 C ATOM 115 CG MET A 132 4.195 4.331 -5.210 1.00 0.00 C ATOM 116 SD MET A 132 5.583 5.208 -5.955 1.00 0.00 S ATOM 117 CE MET A 132 4.973 5.453 -7.621 1.00 0.00 C ATOM 0 H MET A 132 3.296 4.080 -2.776 1.00 0.00 H new ATOM 0 HA MET A 132 3.791 6.761 -3.698 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.085 4.630 -5.012 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.929 5.960 -5.780 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.512 3.896 -4.262 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.902 3.505 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.811 5.649 -8.290 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.447 4.557 -7.951 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.290 6.302 -7.637 1.00 0.00 H new ATOM 127 N PRO A 133 1.521 7.905 -3.681 1.00 0.00 N ATOM 128 CA PRO A 133 0.267 8.623 -3.448 1.00 0.00 C ATOM 129 C PRO A 133 -0.947 7.847 -3.943 1.00 0.00 C ATOM 130 O PRO A 133 -1.949 7.741 -3.239 1.00 0.00 O ATOM 131 CB PRO A 133 0.444 9.914 -4.248 1.00 0.00 C ATOM 132 CG PRO A 133 1.917 10.134 -4.282 1.00 0.00 C ATOM 133 CD PRO A 133 2.542 8.765 -4.309 1.00 0.00 C ATOM 0 HA PRO A 133 0.082 8.787 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.034 9.817 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.071 10.749 -3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 133 2.205 10.711 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.248 10.696 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.764 8.446 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.481 8.742 -3.756 1.00 0.00 H new ATOM 141 N SER A 134 -0.848 7.299 -5.153 1.00 0.00 N ATOM 142 CA SER A 134 -1.942 6.529 -5.737 1.00 0.00 C ATOM 143 C SER A 134 -2.222 5.281 -4.911 1.00 0.00 C ATOM 144 O SER A 134 -3.367 4.843 -4.805 1.00 0.00 O ATOM 145 CB SER A 134 -1.608 6.139 -7.177 1.00 0.00 C ATOM 146 OG SER A 134 -0.246 5.766 -7.301 1.00 0.00 O ATOM 0 H SER A 134 -0.022 7.374 -5.747 1.00 0.00 H new ATOM 0 HA SER A 134 -2.836 7.153 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.245 5.312 -7.490 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.821 6.975 -7.843 1.00 0.00 H new ATOM 0 HG SER A 134 -0.058 5.519 -8.231 1.00 0.00 H new ATOM 152 N VAL A 135 -1.178 4.721 -4.312 1.00 0.00 N ATOM 153 CA VAL A 135 -1.334 3.537 -3.480 1.00 0.00 C ATOM 154 C VAL A 135 -2.153 3.879 -2.247 1.00 0.00 C ATOM 155 O VAL A 135 -3.017 3.111 -1.825 1.00 0.00 O ATOM 156 CB VAL A 135 0.027 2.959 -3.048 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.157 1.725 -2.173 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.866 2.629 -4.270 1.00 0.00 C ATOM 0 H VAL A 135 -0.221 5.066 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.849 2.781 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 135 0.549 3.712 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.819 1.337 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.722 1.993 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.700 0.961 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.826 2.221 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.344 1.894 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.031 3.535 -4.853 1.00 0.00 H new ATOM 168 N ARG A 136 -1.885 5.051 -1.685 1.00 0.00 N ATOM 169 CA ARG A 136 -2.610 5.511 -0.512 1.00 0.00 C ATOM 170 C ARG A 136 -4.083 5.698 -0.853 1.00 0.00 C ATOM 171 O ARG A 136 -4.964 5.278 -0.104 1.00 0.00 O ATOM 172 CB ARG A 136 -2.015 6.822 0.002 1.00 0.00 C ATOM 173 CG ARG A 136 -0.803 6.629 0.899 1.00 0.00 C ATOM 174 CD ARG A 136 -1.194 6.657 2.367 1.00 0.00 C ATOM 175 NE ARG A 136 -1.200 8.015 2.905 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.217 8.297 4.205 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.230 7.321 5.104 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.222 9.561 4.608 1.00 0.00 N ATOM 0 H ARG A 136 -1.172 5.698 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.521 4.760 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.732 7.441 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.781 7.368 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.323 5.678 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.072 7.413 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.183 6.215 2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -0.499 6.043 2.939 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.191 8.793 2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.227 6.347 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.243 7.544 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.213 10.315 3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.235 9.779 5.604 1.00 0.00 H new ATOM 192 N LYS A 137 -4.339 6.306 -2.007 1.00 0.00 N ATOM 193 CA LYS A 137 -5.709 6.521 -2.464 1.00 0.00 C ATOM 194 C LYS A 137 -6.353 5.178 -2.749 1.00 0.00 C ATOM 195 O LYS A 137 -7.514 4.943 -2.415 1.00 0.00 O ATOM 196 CB LYS A 137 -5.756 7.384 -3.735 1.00 0.00 C ATOM 197 CG LYS A 137 -4.538 8.259 -3.941 1.00 0.00 C ATOM 198 CD LYS A 137 -4.242 9.109 -2.716 1.00 0.00 C ATOM 199 CE LYS A 137 -3.485 10.373 -3.086 1.00 0.00 C ATOM 200 NZ LYS A 137 -4.394 11.544 -3.226 1.00 0.00 N ATOM 0 H LYS A 137 -3.621 6.657 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.250 7.049 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.869 6.730 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.642 8.018 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -3.675 7.633 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -4.697 8.906 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.176 9.375 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -3.657 8.529 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -2.736 10.584 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -2.950 10.215 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -3.839 12.386 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -5.093 11.353 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -4.886 11.711 -2.325 1.00 0.00 H new ATOM 214 N TRP A 138 -5.575 4.293 -3.361 1.00 0.00 N ATOM 215 CA TRP A 138 -6.047 2.959 -3.689 1.00 0.00 C ATOM 216 C TRP A 138 -6.501 2.239 -2.425 1.00 0.00 C ATOM 217 O TRP A 138 -7.609 1.703 -2.363 1.00 0.00 O ATOM 218 CB TRP A 138 -4.936 2.176 -4.394 1.00 0.00 C ATOM 219 CG TRP A 138 -5.216 0.713 -4.525 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.570 -0.299 -3.882 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.209 0.101 -5.351 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.100 -1.510 -4.258 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.110 -1.290 -5.159 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.173 0.593 -6.233 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -6.939 -2.193 -5.820 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -7.996 -0.303 -6.886 1.00 0.00 C ATOM 227 CH2 TRP A 138 -7.876 -1.682 -6.678 1.00 0.00 C ATOM 0 H TRP A 138 -4.612 4.479 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.900 3.033 -4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.782 2.597 -5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.005 2.310 -3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.760 -0.169 -3.180 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.793 -2.423 -3.922 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.273 1.655 -6.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -6.846 -3.257 -5.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.746 0.067 -7.570 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.535 -2.356 -7.204 1.00 0.00 H new ATOM 238 N ALA A 139 -5.646 2.252 -1.413 1.00 0.00 N ATOM 239 CA ALA A 139 -5.965 1.624 -0.145 1.00 0.00 C ATOM 240 C ALA A 139 -7.199 2.277 0.465 1.00 0.00 C ATOM 241 O ALA A 139 -8.166 1.601 0.807 1.00 0.00 O ATOM 242 CB ALA A 139 -4.779 1.724 0.804 1.00 0.00 C ATOM 0 H ALA A 139 -4.726 2.691 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.180 0.569 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.031 1.249 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.918 1.222 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.538 2.773 0.976 1.00 0.00 H new ATOM 248 N ARG A 140 -7.165 3.601 0.579 1.00 0.00 N ATOM 249 CA ARG A 140 -8.290 4.347 1.134 1.00 0.00 C ATOM 250 C ARG A 140 -9.576 4.027 0.380 1.00 0.00 C ATOM 251 O ARG A 140 -10.666 4.060 0.951 1.00 0.00 O ATOM 252 CB ARG A 140 -8.012 5.849 1.079 1.00 0.00 C ATOM 253 CG ARG A 140 -6.968 6.310 2.082 1.00 0.00 C ATOM 254 CD ARG A 140 -7.016 7.815 2.286 1.00 0.00 C ATOM 255 NE ARG A 140 -6.747 8.187 3.674 1.00 0.00 N ATOM 256 CZ ARG A 140 -6.366 9.404 4.055 1.00 0.00 C ATOM 257 NH1 ARG A 140 -6.210 10.370 3.158 1.00 0.00 N ATOM 258 NH2 ARG A 140 -6.141 9.656 5.337 1.00 0.00 N ATOM 0 H ARG A 140 -6.373 4.178 0.296 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.415 4.048 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.680 6.112 0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.941 6.389 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.131 5.807 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.976 6.021 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.285 8.293 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.997 8.190 1.994 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.858 7.472 4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.382 10.182 2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -5.918 11.301 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.260 8.917 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -5.849 10.588 5.630 1.00 0.00 H new ATOM 272 N GLU A 141 -9.439 3.714 -0.904 1.00 0.00 N ATOM 273 CA GLU A 141 -10.590 3.384 -1.735 1.00 0.00 C ATOM 274 C GLU A 141 -11.114 1.989 -1.407 1.00 0.00 C ATOM 275 O GLU A 141 -12.318 1.740 -1.451 1.00 0.00 O ATOM 276 CB GLU A 141 -10.218 3.467 -3.216 1.00 0.00 C ATOM 277 CG GLU A 141 -10.355 4.864 -3.801 1.00 0.00 C ATOM 278 CD GLU A 141 -10.732 4.846 -5.270 1.00 0.00 C ATOM 279 OE1 GLU A 141 -10.041 4.160 -6.051 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.717 5.519 -5.637 1.00 0.00 O ATOM 0 H GLU A 141 -8.543 3.682 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.378 4.108 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.190 3.128 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.851 2.782 -3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.111 5.415 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.414 5.400 -3.678 1.00 0.00 H new ATOM 287 N LYS A 142 -10.198 1.081 -1.081 1.00 0.00 N ATOM 288 CA LYS A 142 -10.566 -0.293 -0.748 1.00 0.00 C ATOM 289 C LYS A 142 -10.792 -0.471 0.755 1.00 0.00 C ATOM 290 O LYS A 142 -11.174 -1.550 1.207 1.00 0.00 O ATOM 291 CB LYS A 142 -9.480 -1.259 -1.224 1.00 0.00 C ATOM 292 CG LYS A 142 -9.016 -0.999 -2.650 1.00 0.00 C ATOM 293 CD LYS A 142 -9.552 -2.044 -3.615 1.00 0.00 C ATOM 294 CE LYS A 142 -10.446 -1.421 -4.675 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.067 -2.450 -5.554 1.00 0.00 N ATOM 0 H LYS A 142 -9.197 1.271 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.503 -0.515 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.623 -1.189 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.857 -2.279 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.346 -0.009 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.927 -0.997 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.719 -2.557 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -10.113 -2.797 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.229 -0.837 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.861 -0.730 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.669 -1.984 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -10.321 -2.991 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.646 -3.095 -4.979 1.00 0.00 H new ATOM 309 N GLY A 143 -10.549 0.586 1.528 1.00 0.00 N ATOM 310 CA GLY A 143 -10.729 0.508 2.968 1.00 0.00 C ATOM 311 C GLY A 143 -9.456 0.108 3.694 1.00 0.00 C ATOM 312 O GLY A 143 -9.475 -0.163 4.894 1.00 0.00 O ATOM 0 H GLY A 143 -10.232 1.492 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.068 1.475 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.514 -0.214 3.194 1.00 0.00 H new ATOM 316 N VAL A 144 -8.347 0.071 2.960 1.00 0.00 N ATOM 317 CA VAL A 144 -7.056 -0.297 3.524 1.00 0.00 C ATOM 318 C VAL A 144 -6.202 0.936 3.802 1.00 0.00 C ATOM 319 O VAL A 144 -6.248 1.915 3.059 1.00 0.00 O ATOM 320 CB VAL A 144 -6.277 -1.230 2.580 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.042 -1.778 3.280 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.168 -2.361 2.089 1.00 0.00 C ATOM 0 H VAL A 144 -8.320 0.294 1.965 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.261 -0.817 4.460 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.953 -0.655 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.501 -2.436 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.396 -0.952 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.344 -2.339 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.599 -3.010 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.525 -2.939 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.020 -1.946 1.550 1.00 0.00 H new ATOM 332 N ASP A 145 -5.418 0.875 4.871 1.00 0.00 N ATOM 333 CA ASP A 145 -4.543 1.981 5.240 1.00 0.00 C ATOM 334 C ASP A 145 -3.081 1.591 5.039 1.00 0.00 C ATOM 335 O ASP A 145 -2.661 0.506 5.434 1.00 0.00 O ATOM 336 CB ASP A 145 -4.782 2.387 6.696 1.00 0.00 C ATOM 337 CG ASP A 145 -4.201 3.749 7.018 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.112 4.068 6.497 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.835 4.497 7.791 1.00 0.00 O ATOM 0 H ASP A 145 -5.370 0.072 5.498 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.772 2.831 4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.853 2.395 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.339 1.641 7.356 1.00 0.00 H new ATOM 344 N ILE A 146 -2.308 2.474 4.421 1.00 0.00 N ATOM 345 CA ILE A 146 -0.898 2.200 4.176 1.00 0.00 C ATOM 346 C ILE A 146 -0.163 1.925 5.487 1.00 0.00 C ATOM 347 O ILE A 146 0.777 1.129 5.533 1.00 0.00 O ATOM 348 CB ILE A 146 -0.218 3.368 3.419 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.749 2.822 2.369 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.507 4.310 4.376 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.087 2.500 1.045 1.00 0.00 C ATOM 0 H ILE A 146 -2.630 3.380 4.082 1.00 0.00 H new ATOM 0 HA ILE A 146 -0.842 1.310 3.549 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.997 3.944 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.541 3.552 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.223 1.921 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.972 5.117 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.207 4.729 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 146 1.275 3.758 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.833 2.117 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.686 1.747 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.363 3.404 0.634 1.00 0.00 H new ATOM 363 N ARG A 147 -0.601 2.596 6.545 1.00 0.00 N ATOM 364 CA ARG A 147 0.007 2.442 7.864 1.00 0.00 C ATOM 365 C ARG A 147 0.035 0.979 8.312 1.00 0.00 C ATOM 366 O ARG A 147 0.845 0.602 9.157 1.00 0.00 O ATOM 367 CB ARG A 147 -0.749 3.283 8.894 1.00 0.00 C ATOM 368 CG ARG A 147 -0.848 4.753 8.522 1.00 0.00 C ATOM 369 CD ARG A 147 -0.576 5.653 9.717 1.00 0.00 C ATOM 370 NE ARG A 147 0.774 5.468 10.246 1.00 0.00 N ATOM 371 CZ ARG A 147 1.389 6.349 11.033 1.00 0.00 C ATOM 372 NH1 ARG A 147 0.780 7.474 11.385 1.00 0.00 N ATOM 373 NH2 ARG A 147 2.618 6.103 11.467 1.00 0.00 N ATOM 0 H ARG A 147 -1.379 3.255 6.516 1.00 0.00 H new ATOM 0 HA ARG A 147 1.038 2.789 7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.754 2.878 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.252 3.194 9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.136 4.977 7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.842 4.963 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.711 6.694 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.304 5.445 10.501 1.00 0.00 H new ATOM 0 HE ARG A 147 1.274 4.614 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.165 7.668 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.256 8.145 11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 147 3.091 5.240 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 147 3.090 6.777 12.070 1.00 0.00 H new ATOM 387 N LEU A 148 -0.848 0.157 7.746 1.00 0.00 N ATOM 388 CA LEU A 148 -0.900 -1.258 8.107 1.00 0.00 C ATOM 389 C LEU A 148 -0.430 -2.143 6.958 1.00 0.00 C ATOM 390 O LEU A 148 -0.813 -3.308 6.865 1.00 0.00 O ATOM 391 CB LEU A 148 -2.316 -1.670 8.526 1.00 0.00 C ATOM 392 CG LEU A 148 -3.442 -1.066 7.692 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.666 -1.879 6.427 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.725 -0.985 8.502 1.00 0.00 C ATOM 0 H LEU A 148 -1.530 0.443 7.043 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.226 -1.396 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.391 -2.756 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.466 -1.388 9.568 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.150 -0.055 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.473 -1.433 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.752 -1.887 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.934 -2.901 6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.515 -0.552 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.019 -1.986 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.562 -0.360 9.380 1.00 0.00 H new ATOM 406 N VAL A 149 0.405 -1.589 6.086 1.00 0.00 N ATOM 407 CA VAL A 149 0.919 -2.342 4.948 1.00 0.00 C ATOM 408 C VAL A 149 2.438 -2.245 4.862 1.00 0.00 C ATOM 409 O VAL A 149 2.990 -1.179 4.589 1.00 0.00 O ATOM 410 CB VAL A 149 0.305 -1.851 3.623 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.735 -2.747 2.472 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.214 -1.795 3.727 1.00 0.00 C ATOM 0 H VAL A 149 0.739 -0.627 6.144 1.00 0.00 H new ATOM 0 HA VAL A 149 0.635 -3.382 5.105 1.00 0.00 H new ATOM 0 HB VAL A 149 0.670 -0.843 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.292 -2.385 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.821 -2.732 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.400 -3.767 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.631 -1.446 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.600 -2.790 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.499 -1.109 4.525 1.00 0.00 H new ATOM 422 N GLN A 150 3.110 -3.368 5.096 1.00 0.00 N ATOM 423 CA GLN A 150 4.566 -3.414 5.042 1.00 0.00 C ATOM 424 C GLN A 150 5.048 -3.525 3.600 1.00 0.00 C ATOM 425 O GLN A 150 5.509 -4.582 3.167 1.00 0.00 O ATOM 426 CB GLN A 150 5.090 -4.594 5.863 1.00 0.00 C ATOM 427 CG GLN A 150 6.606 -4.698 5.880 1.00 0.00 C ATOM 428 CD GLN A 150 7.099 -5.888 6.679 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.391 -6.409 7.541 1.00 0.00 O ATOM 430 NE2 GLN A 150 8.321 -6.326 6.396 1.00 0.00 N ATOM 0 H GLN A 150 2.669 -4.259 5.325 1.00 0.00 H new ATOM 0 HA GLN A 150 4.954 -2.488 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.729 -4.502 6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.675 -5.518 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 150 6.973 -4.775 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 150 7.025 -3.784 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.874 -5.864 5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 150 8.706 -7.124 6.901 1.00 0.00 H new ATOM 439 N GLY A 151 4.936 -2.427 2.859 1.00 0.00 N ATOM 440 CA GLY A 151 5.363 -2.418 1.471 1.00 0.00 C ATOM 441 C GLY A 151 6.802 -2.863 1.300 1.00 0.00 C ATOM 442 O GLY A 151 7.625 -2.675 2.194 1.00 0.00 O ATOM 0 H GLY A 151 4.557 -1.542 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.713 -3.073 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.247 -1.413 1.066 1.00 0.00 H new ATOM 446 N THR A 152 7.103 -3.459 0.149 1.00 0.00 N ATOM 447 CA THR A 152 8.453 -3.935 -0.136 1.00 0.00 C ATOM 448 C THR A 152 9.047 -3.219 -1.348 1.00 0.00 C ATOM 449 O THR A 152 9.965 -3.729 -1.991 1.00 0.00 O ATOM 450 CB THR A 152 8.442 -5.445 -0.378 1.00 0.00 C ATOM 451 OG1 THR A 152 7.350 -6.052 0.290 1.00 0.00 O ATOM 452 CG2 THR A 152 9.706 -6.135 0.088 1.00 0.00 C ATOM 0 H THR A 152 6.431 -3.623 -0.600 1.00 0.00 H new ATOM 0 HA THR A 152 9.076 -3.714 0.731 1.00 0.00 H new ATOM 0 HB THR A 152 8.360 -5.564 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.359 -7.017 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 152 9.632 -7.204 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 152 10.563 -5.724 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 152 9.834 -5.975 1.159 1.00 0.00 H new ATOM 460 N GLY A 153 8.519 -2.038 -1.660 1.00 0.00 N ATOM 461 CA GLY A 153 9.014 -1.284 -2.797 1.00 0.00 C ATOM 462 C GLY A 153 10.407 -0.727 -2.569 1.00 0.00 C ATOM 463 O GLY A 153 10.564 0.347 -1.989 1.00 0.00 O ATOM 0 H GLY A 153 7.759 -1.591 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.024 -1.927 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.329 -0.463 -3.009 1.00 0.00 H new ATOM 467 N LYS A 154 11.417 -1.461 -3.031 1.00 0.00 N ATOM 468 CA LYS A 154 12.810 -1.042 -2.882 1.00 0.00 C ATOM 469 C LYS A 154 13.174 -0.842 -1.412 1.00 0.00 C ATOM 470 O LYS A 154 13.805 -1.703 -0.798 1.00 0.00 O ATOM 471 CB LYS A 154 13.069 0.243 -3.676 1.00 0.00 C ATOM 472 CG LYS A 154 14.277 0.155 -4.595 1.00 0.00 C ATOM 473 CD LYS A 154 14.118 -0.956 -5.622 1.00 0.00 C ATOM 474 CE LYS A 154 13.951 -0.397 -7.026 1.00 0.00 C ATOM 475 NZ LYS A 154 15.209 0.220 -7.531 1.00 0.00 N ATOM 0 H LYS A 154 11.297 -2.352 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 154 13.443 -1.835 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.186 0.477 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.212 1.069 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.416 1.107 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 154 15.174 -0.022 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 154 14.990 -1.609 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 154 13.252 -1.567 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 154 13.642 -1.196 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 154 13.155 0.348 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.133 0.374 -8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 15.364 1.132 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 16.010 -0.414 -7.334 1.00 0.00 H new ATOM 489 N ASN A 155 12.773 0.295 -0.850 1.00 0.00 N ATOM 490 CA ASN A 155 13.057 0.598 0.547 1.00 0.00 C ATOM 491 C ASN A 155 11.865 0.250 1.439 1.00 0.00 C ATOM 492 O ASN A 155 11.875 0.530 2.636 1.00 0.00 O ATOM 493 CB ASN A 155 13.412 2.077 0.706 1.00 0.00 C ATOM 494 CG ASN A 155 12.343 2.993 0.143 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.365 3.313 0.819 1.00 0.00 O ATOM 496 ND2 ASN A 155 12.523 3.418 -1.101 1.00 0.00 N ATOM 0 H ASN A 155 12.251 1.020 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 155 13.907 -0.010 0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.558 2.301 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.359 2.276 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 155 11.836 4.035 -1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.349 3.128 -1.625 1.00 0.00 H new ATOM 503 N GLY A 156 10.840 -0.363 0.849 1.00 0.00 N ATOM 504 CA GLY A 156 9.664 -0.737 1.611 1.00 0.00 C ATOM 505 C GLY A 156 8.441 0.079 1.235 1.00 0.00 C ATOM 506 O GLY A 156 7.531 0.252 2.045 1.00 0.00 O ATOM 0 H GLY A 156 10.805 -0.606 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.454 -1.795 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.869 -0.609 2.674 1.00 0.00 H new ATOM 510 N ARG A 157 8.421 0.582 0.005 1.00 0.00 N ATOM 511 CA ARG A 157 7.301 1.384 -0.475 1.00 0.00 C ATOM 512 C ARG A 157 6.112 0.501 -0.840 1.00 0.00 C ATOM 513 O ARG A 157 6.225 -0.390 -1.683 1.00 0.00 O ATOM 514 CB ARG A 157 7.722 2.213 -1.690 1.00 0.00 C ATOM 515 CG ARG A 157 8.775 3.263 -1.378 1.00 0.00 C ATOM 516 CD ARG A 157 9.643 3.558 -2.590 1.00 0.00 C ATOM 517 NE ARG A 157 10.047 4.960 -2.645 1.00 0.00 N ATOM 518 CZ ARG A 157 10.541 5.547 -3.733 1.00 0.00 C ATOM 519 NH1 ARG A 157 10.693 4.856 -4.857 1.00 0.00 N ATOM 520 NH2 ARG A 157 10.886 6.827 -3.698 1.00 0.00 N ATOM 0 H ARG A 157 9.167 0.449 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 157 7.000 2.055 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.106 1.544 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 157 6.843 2.705 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.289 4.180 -1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 157 9.402 2.918 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 157 10.530 2.926 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 157 9.097 3.302 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 157 9.945 5.523 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.431 3.871 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.072 5.311 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.773 7.362 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.264 7.276 -4.532 1.00 0.00 H new ATOM 534 N VAL A 158 4.972 0.757 -0.207 1.00 0.00 N ATOM 535 CA VAL A 158 3.763 -0.012 -0.472 1.00 0.00 C ATOM 536 C VAL A 158 3.200 0.320 -1.849 1.00 0.00 C ATOM 537 O VAL A 158 2.560 1.355 -2.035 1.00 0.00 O ATOM 538 CB VAL A 158 2.681 0.255 0.591 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.483 -0.658 0.376 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.249 0.078 1.990 1.00 0.00 C ATOM 0 H VAL A 158 4.861 1.491 0.493 1.00 0.00 H new ATOM 0 HA VAL A 158 4.041 -1.065 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 158 2.346 1.287 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.729 -0.455 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.060 -0.476 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.801 -1.698 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.469 0.271 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.615 -0.942 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.071 0.778 2.140 1.00 0.00 H new ATOM 550 N LEU A 159 3.441 -0.563 -2.810 1.00 0.00 N ATOM 551 CA LEU A 159 2.958 -0.362 -4.171 1.00 0.00 C ATOM 552 C LEU A 159 1.618 -1.060 -4.379 1.00 0.00 C ATOM 553 O LEU A 159 1.148 -1.795 -3.507 1.00 0.00 O ATOM 554 CB LEU A 159 3.981 -0.886 -5.184 1.00 0.00 C ATOM 555 CG LEU A 159 5.446 -0.724 -4.774 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.334 -1.651 -5.590 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.889 0.723 -4.939 1.00 0.00 C ATOM 0 H LEU A 159 3.968 -1.425 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 159 2.821 0.708 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.785 -1.944 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.827 -0.371 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 159 5.541 -0.995 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.372 -1.522 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 159 6.032 -2.685 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.235 -1.411 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.934 0.820 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.778 1.021 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.273 1.366 -4.311 1.00 0.00 H new ATOM 569 N LYS A 160 1.006 -0.831 -5.538 1.00 0.00 N ATOM 570 CA LYS A 160 -0.279 -1.442 -5.858 1.00 0.00 C ATOM 571 C LYS A 160 -0.228 -2.951 -5.635 1.00 0.00 C ATOM 572 O LYS A 160 -1.235 -3.574 -5.297 1.00 0.00 O ATOM 573 CB LYS A 160 -0.668 -1.140 -7.307 1.00 0.00 C ATOM 574 CG LYS A 160 -2.171 -1.085 -7.531 1.00 0.00 C ATOM 575 CD LYS A 160 -2.508 -0.731 -8.970 1.00 0.00 C ATOM 576 CE LYS A 160 -2.208 0.730 -9.271 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.263 1.350 -10.119 1.00 0.00 N ATOM 0 H LYS A 160 1.380 -0.227 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.032 -1.017 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.229 -0.187 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.239 -1.903 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.613 -2.049 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.613 -0.348 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -1.936 -1.367 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.563 -0.933 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.122 1.283 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.245 0.806 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.022 2.345 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -3.328 0.838 -11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.178 1.300 -9.627 1.00 0.00 H new ATOM 591 N GLU A 161 0.955 -3.529 -5.817 1.00 0.00 N ATOM 592 CA GLU A 161 1.142 -4.960 -5.627 1.00 0.00 C ATOM 593 C GLU A 161 1.016 -5.321 -4.152 1.00 0.00 C ATOM 594 O GLU A 161 0.409 -6.332 -3.798 1.00 0.00 O ATOM 595 CB GLU A 161 2.511 -5.392 -6.157 1.00 0.00 C ATOM 596 CG GLU A 161 2.572 -5.491 -7.673 1.00 0.00 C ATOM 597 CD GLU A 161 3.935 -5.928 -8.174 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.950 -5.478 -7.602 1.00 0.00 O ATOM 599 OE2 GLU A 161 3.987 -6.721 -9.138 1.00 0.00 O ATOM 0 H GLU A 161 1.798 -3.027 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 161 0.367 -5.486 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.264 -4.681 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.769 -6.360 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.818 -6.199 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.323 -4.523 -8.107 1.00 0.00 H new ATOM 606 N ASP A 162 1.588 -4.482 -3.293 1.00 0.00 N ATOM 607 CA ASP A 162 1.533 -4.709 -1.856 1.00 0.00 C ATOM 608 C ASP A 162 0.093 -4.654 -1.365 1.00 0.00 C ATOM 609 O ASP A 162 -0.368 -5.551 -0.659 1.00 0.00 O ATOM 610 CB ASP A 162 2.382 -3.673 -1.118 1.00 0.00 C ATOM 611 CG ASP A 162 3.869 -3.937 -1.262 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.274 -5.115 -1.170 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.627 -2.965 -1.466 1.00 0.00 O ATOM 0 H ASP A 162 2.094 -3.640 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 162 1.935 -5.700 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.153 -2.679 -1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.116 -3.675 -0.061 1.00 0.00 H new ATOM 618 N ILE A 163 -0.621 -3.602 -1.757 1.00 0.00 N ATOM 619 CA ILE A 163 -2.015 -3.446 -1.363 1.00 0.00 C ATOM 620 C ILE A 163 -2.841 -4.625 -1.865 1.00 0.00 C ATOM 621 O ILE A 163 -3.550 -5.274 -1.094 1.00 0.00 O ATOM 622 CB ILE A 163 -2.618 -2.136 -1.906 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.736 -0.944 -1.529 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.031 -1.943 -1.372 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.566 -0.767 -0.036 1.00 0.00 C ATOM 0 H ILE A 163 -0.259 -2.850 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.042 -3.411 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.664 -2.200 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.754 -1.070 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.169 -0.035 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.444 -1.014 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.656 -2.779 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.006 -1.898 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.929 0.096 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.541 -0.610 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.105 -1.660 0.386 1.00 0.00 H new ATOM 637 N ASP A 164 -2.733 -4.904 -3.162 1.00 0.00 N ATOM 638 CA ASP A 164 -3.460 -6.014 -3.768 1.00 0.00 C ATOM 639 C ASP A 164 -3.151 -7.314 -3.033 1.00 0.00 C ATOM 640 O ASP A 164 -4.000 -8.201 -2.932 1.00 0.00 O ATOM 641 CB ASP A 164 -3.091 -6.149 -5.247 1.00 0.00 C ATOM 642 CG ASP A 164 -4.121 -5.509 -6.160 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.455 -4.326 -5.940 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.592 -6.192 -7.093 1.00 0.00 O ATOM 0 H ASP A 164 -2.150 -4.377 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.528 -5.810 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.119 -5.687 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.992 -7.205 -5.499 1.00 0.00 H new ATOM 649 N ALA A 165 -1.934 -7.410 -2.509 1.00 0.00 N ATOM 650 CA ALA A 165 -1.512 -8.592 -1.769 1.00 0.00 C ATOM 651 C ALA A 165 -2.086 -8.562 -0.360 1.00 0.00 C ATOM 652 O ALA A 165 -2.407 -9.602 0.217 1.00 0.00 O ATOM 653 CB ALA A 165 0.006 -8.676 -1.726 1.00 0.00 C ATOM 0 H ALA A 165 -1.223 -6.683 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.890 -9.478 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.306 -9.564 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.396 -8.735 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.406 -7.789 -1.235 1.00 0.00 H new ATOM 659 N PHE A 166 -2.221 -7.358 0.185 1.00 0.00 N ATOM 660 CA PHE A 166 -2.768 -7.177 1.522 1.00 0.00 C ATOM 661 C PHE A 166 -4.194 -7.709 1.590 1.00 0.00 C ATOM 662 O PHE A 166 -4.568 -8.397 2.540 1.00 0.00 O ATOM 663 CB PHE A 166 -2.742 -5.696 1.902 1.00 0.00 C ATOM 664 CG PHE A 166 -3.341 -5.411 3.248 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.715 -5.388 3.418 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.530 -5.165 4.342 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.270 -5.126 4.656 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.076 -4.902 5.584 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.449 -4.882 5.741 1.00 0.00 C ATOM 0 H PHE A 166 -1.957 -6.490 -0.282 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.154 -7.736 2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.710 -5.345 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.281 -5.126 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.360 -5.577 2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.457 -5.179 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.343 -5.112 4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.432 -4.713 6.430 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.880 -4.676 6.710 1.00 0.00 H new ATOM 679 N LEU A 167 -4.987 -7.386 0.573 1.00 0.00 N ATOM 680 CA LEU A 167 -6.371 -7.827 0.510 1.00 0.00 C ATOM 681 C LEU A 167 -6.459 -9.284 0.071 1.00 0.00 C ATOM 682 O LEU A 167 -7.266 -10.055 0.593 1.00 0.00 O ATOM 683 CB LEU A 167 -7.154 -6.943 -0.460 1.00 0.00 C ATOM 684 CG LEU A 167 -7.386 -5.505 0.008 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.955 -5.480 1.419 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.091 -4.707 -0.067 1.00 0.00 C ATOM 0 H LEU A 167 -4.691 -6.818 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.804 -7.743 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.623 -6.917 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.122 -7.407 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.115 -5.041 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.111 -4.447 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.906 -6.013 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.256 -5.963 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.273 -3.686 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.340 -5.171 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.732 -4.692 -1.096 1.00 0.00 H new ATOM 698 N ALA A 168 -5.622 -9.655 -0.891 1.00 0.00 N ATOM 699 CA ALA A 168 -5.602 -11.019 -1.406 1.00 0.00 C ATOM 700 C ALA A 168 -4.484 -11.832 -0.762 1.00 0.00 C ATOM 701 O ALA A 168 -3.927 -12.740 -1.381 1.00 0.00 O ATOM 702 CB ALA A 168 -5.444 -11.009 -2.919 1.00 0.00 C ATOM 0 H ALA A 168 -4.947 -9.029 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.552 -11.491 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.431 -12.034 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -6.279 -10.471 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.509 -10.515 -3.184 1.00 0.00 H new ATOM 708 N GLY A 169 -4.160 -11.503 0.485 1.00 0.00 N ATOM 709 CA GLY A 169 -3.111 -12.213 1.191 1.00 0.00 C ATOM 710 C GLY A 169 -3.458 -12.467 2.645 1.00 0.00 C ATOM 711 O GLY A 169 -2.572 -12.570 3.492 1.00 0.00 O ATOM 0 H GLY A 169 -4.606 -10.757 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -2.923 -13.165 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.187 -11.637 1.137 1.00 0.00 H new ATOM 715 N GLY A 170 -4.752 -12.566 2.933 1.00 0.00 N ATOM 716 CA GLY A 170 -5.191 -12.807 4.294 1.00 0.00 C ATOM 717 C GLY A 170 -5.301 -14.285 4.615 1.00 0.00 C ATOM 718 O GLY A 170 -4.266 -14.898 4.948 1.00 0.00 O ATOM 719 OXT GLY A 170 -6.424 -14.828 4.535 1.00 0.00 O ATOM 0 H GLY A 170 -5.503 -12.484 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -4.491 -12.339 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -6.159 -12.332 4.450 1.00 0.00 H new TER 723 GLY A 170