USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=6 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 Set 1.1: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 142 LYS NZ :NH3+ -129:sc= -0.0486 (180deg=-0.471) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 150 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.3) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.5) USER MOD Single : A 160 LYS NZ :NH3+ -137:sc= -0.863 (180deg=-2.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -9.718 -1.872 -12.770 1.00 0.00 N ATOM 2 CA ASN A 126 -8.516 -1.905 -11.895 1.00 0.00 C ATOM 3 C ASN A 126 -7.348 -1.159 -12.533 1.00 0.00 C ATOM 4 O ASN A 126 -6.747 -1.634 -13.497 1.00 0.00 O ATOM 5 CB ASN A 126 -8.137 -3.366 -11.643 1.00 0.00 C ATOM 6 CG ASN A 126 -7.884 -3.653 -10.176 1.00 0.00 C ATOM 7 OD1 ASN A 126 -6.984 -3.076 -9.565 1.00 0.00 O ATOM 8 ND2 ASN A 126 -8.679 -4.548 -9.602 1.00 0.00 N ATOM 0 HA ASN A 126 -8.745 -1.408 -10.952 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -8.936 -4.013 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -7.244 -3.611 -12.218 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -8.556 -4.781 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.412 -5.002 -10.146 1.00 0.00 H new ATOM 17 N ARG A 127 -7.032 0.011 -11.990 1.00 0.00 N ATOM 18 CA ARG A 127 -5.936 0.822 -12.507 1.00 0.00 C ATOM 19 C ARG A 127 -5.609 1.966 -11.554 1.00 0.00 C ATOM 20 O ARG A 127 -4.441 2.259 -11.297 1.00 0.00 O ATOM 21 CB ARG A 127 -6.292 1.377 -13.888 1.00 0.00 C ATOM 22 CG ARG A 127 -5.077 1.684 -14.752 1.00 0.00 C ATOM 23 CD ARG A 127 -5.204 1.071 -16.137 1.00 0.00 C ATOM 24 NE ARG A 127 -4.293 -0.056 -16.324 1.00 0.00 N ATOM 25 CZ ARG A 127 -4.237 -0.789 -17.433 1.00 0.00 C ATOM 26 NH1 ARG A 127 -5.036 -0.517 -18.458 1.00 0.00 N ATOM 27 NH2 ARG A 127 -3.377 -1.795 -17.520 1.00 0.00 N ATOM 0 H ARG A 127 -7.519 0.419 -11.192 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.056 0.185 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.925 0.657 -14.408 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.879 2.287 -13.765 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.957 2.764 -14.841 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.179 1.303 -14.266 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -6.230 0.737 -16.293 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -4.999 1.832 -16.890 1.00 0.00 H new ATOM 0 HE ARG A 127 -3.662 -0.295 -15.559 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.697 0.257 -18.398 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -4.989 -1.082 -19.306 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -2.759 -2.007 -16.737 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -3.334 -2.357 -18.370 1.00 0.00 H new ATOM 41 N ARG A 128 -6.648 2.607 -11.034 1.00 0.00 N ATOM 42 CA ARG A 128 -6.474 3.719 -10.106 1.00 0.00 C ATOM 43 C ARG A 128 -5.862 3.238 -8.794 1.00 0.00 C ATOM 44 O ARG A 128 -6.172 2.146 -8.317 1.00 0.00 O ATOM 45 CB ARG A 128 -7.818 4.403 -9.841 1.00 0.00 C ATOM 46 CG ARG A 128 -7.905 5.810 -10.411 1.00 0.00 C ATOM 47 CD ARG A 128 -8.526 6.778 -9.417 1.00 0.00 C ATOM 48 NE ARG A 128 -8.142 8.162 -9.689 1.00 0.00 N ATOM 49 CZ ARG A 128 -6.952 8.676 -9.382 1.00 0.00 C ATOM 50 NH1 ARG A 128 -6.029 7.924 -8.796 1.00 0.00 N ATOM 51 NH2 ARG A 128 -6.686 9.943 -9.664 1.00 0.00 N ATOM 0 H ARG A 128 -7.620 2.377 -11.239 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.793 4.440 -10.559 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -8.616 3.796 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.990 4.444 -8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -6.908 6.156 -10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -8.497 5.797 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -9.612 6.689 -9.454 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -8.218 6.508 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.825 8.770 -10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -6.229 6.948 -8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -5.119 8.322 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.392 10.524 -10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -5.775 10.337 -9.429 1.00 0.00 H new ATOM 65 N VAL A 129 -4.991 4.058 -8.215 1.00 0.00 N ATOM 66 CA VAL A 129 -4.337 3.713 -6.960 1.00 0.00 C ATOM 67 C VAL A 129 -5.192 4.116 -5.763 1.00 0.00 C ATOM 68 O VAL A 129 -5.724 5.225 -5.710 1.00 0.00 O ATOM 69 CB VAL A 129 -2.950 4.383 -6.841 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.389 4.233 -5.432 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.988 3.802 -7.868 1.00 0.00 C ATOM 0 H VAL A 129 -4.722 4.965 -8.595 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.208 2.631 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.069 5.448 -7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.412 4.713 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.066 4.703 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.287 3.175 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -1.016 4.285 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.879 2.731 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.379 3.974 -8.871 1.00 0.00 H new ATOM 81 N ILE A 130 -5.307 3.209 -4.801 1.00 0.00 N ATOM 82 CA ILE A 130 -6.081 3.463 -3.595 1.00 0.00 C ATOM 83 C ILE A 130 -5.263 3.122 -2.357 1.00 0.00 C ATOM 84 O ILE A 130 -4.956 1.958 -2.103 1.00 0.00 O ATOM 85 CB ILE A 130 -7.393 2.654 -3.589 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.188 2.948 -4.859 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.222 2.981 -2.354 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.983 1.922 -5.953 1.00 0.00 C ATOM 0 H ILE A 130 -4.871 2.287 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.331 4.524 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.149 1.592 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.248 2.996 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.904 3.931 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.144 2.399 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.653 2.735 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.464 4.044 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.578 2.195 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.929 1.890 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.294 0.941 -5.594 1.00 0.00 H new ATOM 100 N ALA A 131 -4.906 4.147 -1.596 1.00 0.00 N ATOM 101 CA ALA A 131 -4.113 3.961 -0.389 1.00 0.00 C ATOM 102 C ALA A 131 -4.211 5.171 0.531 1.00 0.00 C ATOM 103 O ALA A 131 -4.373 6.301 0.072 1.00 0.00 O ATOM 104 CB ALA A 131 -2.660 3.695 -0.752 1.00 0.00 C ATOM 0 H ALA A 131 -5.153 5.117 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.512 3.099 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.077 3.558 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.597 2.795 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.264 4.542 -1.312 1.00 0.00 H new ATOM 110 N MET A 132 -4.108 4.926 1.832 1.00 0.00 N ATOM 111 CA MET A 132 -4.179 5.994 2.819 1.00 0.00 C ATOM 112 C MET A 132 -3.075 7.023 2.583 1.00 0.00 C ATOM 113 O MET A 132 -2.005 6.691 2.074 1.00 0.00 O ATOM 114 CB MET A 132 -4.064 5.413 4.231 1.00 0.00 C ATOM 115 CG MET A 132 -5.384 5.379 4.982 1.00 0.00 C ATOM 116 SD MET A 132 -5.205 5.810 6.724 1.00 0.00 S ATOM 117 CE MET A 132 -4.292 4.395 7.332 1.00 0.00 C ATOM 0 H MET A 132 -3.975 3.995 2.227 1.00 0.00 H new ATOM 0 HA MET A 132 -5.142 6.494 2.717 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.665 4.401 4.167 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.346 6.003 4.801 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.083 6.070 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.818 4.382 4.901 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.104 4.514 8.399 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.873 3.488 7.165 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.342 4.320 6.802 1.00 0.00 H new ATOM 127 N PRO A 133 -3.321 8.291 2.953 1.00 0.00 N ATOM 128 CA PRO A 133 -2.340 9.368 2.779 1.00 0.00 C ATOM 129 C PRO A 133 -0.967 8.996 3.328 1.00 0.00 C ATOM 130 O PRO A 133 0.055 9.507 2.871 1.00 0.00 O ATOM 131 CB PRO A 133 -2.940 10.525 3.580 1.00 0.00 C ATOM 132 CG PRO A 133 -4.408 10.271 3.568 1.00 0.00 C ATOM 133 CD PRO A 133 -4.571 8.775 3.571 1.00 0.00 C ATOM 0 HA PRO A 133 -2.172 9.601 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.550 10.546 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.701 11.487 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.888 10.717 4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.873 10.712 2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.695 8.387 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.447 8.466 3.001 1.00 0.00 H new ATOM 141 N SER A 134 -0.951 8.103 4.313 1.00 0.00 N ATOM 142 CA SER A 134 0.297 7.663 4.926 1.00 0.00 C ATOM 143 C SER A 134 0.852 6.430 4.217 1.00 0.00 C ATOM 144 O SER A 134 2.064 6.218 4.183 1.00 0.00 O ATOM 145 CB SER A 134 0.079 7.357 6.408 1.00 0.00 C ATOM 146 OG SER A 134 -0.310 8.521 7.117 1.00 0.00 O ATOM 0 H SER A 134 -1.788 7.670 4.703 1.00 0.00 H new ATOM 0 HA SER A 134 1.023 8.470 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.687 6.589 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.996 6.955 6.838 1.00 0.00 H new ATOM 0 HG SER A 134 -0.445 8.299 8.062 1.00 0.00 H new ATOM 152 N VAL A 135 -0.040 5.618 3.658 1.00 0.00 N ATOM 153 CA VAL A 135 0.369 4.406 2.956 1.00 0.00 C ATOM 154 C VAL A 135 1.109 4.733 1.673 1.00 0.00 C ATOM 155 O VAL A 135 2.194 4.214 1.422 1.00 0.00 O ATOM 156 CB VAL A 135 -0.835 3.510 2.625 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.390 2.264 1.870 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.572 3.140 3.897 1.00 0.00 C ATOM 0 H VAL A 135 -1.047 5.776 3.677 1.00 0.00 H new ATOM 0 HA VAL A 135 1.037 3.869 3.629 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.516 4.064 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.259 1.645 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.096 2.557 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.311 1.698 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.424 2.505 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.898 2.603 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.925 4.046 4.390 1.00 0.00 H new ATOM 168 N ARG A 136 0.521 5.598 0.861 1.00 0.00 N ATOM 169 CA ARG A 136 1.143 5.986 -0.396 1.00 0.00 C ATOM 170 C ARG A 136 2.551 6.504 -0.136 1.00 0.00 C ATOM 171 O ARG A 136 3.444 6.357 -0.968 1.00 0.00 O ATOM 172 CB ARG A 136 0.310 7.064 -1.095 1.00 0.00 C ATOM 173 CG ARG A 136 -1.150 6.685 -1.280 1.00 0.00 C ATOM 174 CD ARG A 136 -1.907 7.743 -2.067 1.00 0.00 C ATOM 175 NE ARG A 136 -3.171 8.101 -1.426 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.845 9.218 -1.689 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.382 10.088 -2.578 1.00 0.00 N ATOM 178 NH2 ARG A 136 -4.987 9.465 -1.062 1.00 0.00 N ATOM 0 H ARG A 136 -0.378 6.042 1.047 1.00 0.00 H new ATOM 0 HA ARG A 136 1.196 5.112 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.366 7.986 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.748 7.273 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.215 5.729 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.618 6.551 -0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.286 8.633 -2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.102 7.375 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.559 7.457 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.505 9.902 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.903 10.942 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.348 8.799 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.504 10.321 -1.263 1.00 0.00 H new ATOM 192 N LYS A 137 2.739 7.091 1.042 1.00 0.00 N ATOM 193 CA LYS A 137 4.033 7.614 1.443 1.00 0.00 C ATOM 194 C LYS A 137 4.943 6.478 1.885 1.00 0.00 C ATOM 195 O LYS A 137 6.141 6.474 1.598 1.00 0.00 O ATOM 196 CB LYS A 137 3.872 8.627 2.576 1.00 0.00 C ATOM 197 CG LYS A 137 5.170 9.313 2.971 1.00 0.00 C ATOM 198 CD LYS A 137 5.430 10.545 2.118 1.00 0.00 C ATOM 199 CE LYS A 137 5.972 11.695 2.950 1.00 0.00 C ATOM 200 NZ LYS A 137 7.287 11.365 3.566 1.00 0.00 N ATOM 0 H LYS A 137 2.003 7.215 1.737 1.00 0.00 H new ATOM 0 HA LYS A 137 4.484 8.117 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.148 9.384 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.459 8.121 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.127 9.599 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.999 8.614 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.141 10.299 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.505 10.852 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.078 12.579 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.257 11.944 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.654 12.198 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.169 10.580 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.959 11.086 2.822 1.00 0.00 H new ATOM 214 N TYR A 138 4.362 5.516 2.597 1.00 0.00 N ATOM 215 CA TYR A 138 5.117 4.378 3.093 1.00 0.00 C ATOM 216 C TYR A 138 5.601 3.499 1.949 1.00 0.00 C ATOM 217 O TYR A 138 6.776 3.146 1.886 1.00 0.00 O ATOM 218 CB TYR A 138 4.255 3.558 4.043 1.00 0.00 C ATOM 219 CG TYR A 138 4.951 2.316 4.536 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.137 2.399 5.252 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.432 1.059 4.267 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.786 1.261 5.688 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.074 -0.080 4.697 1.00 0.00 C ATOM 224 CZ TYR A 138 6.251 0.023 5.408 1.00 0.00 C ATOM 225 OH TYR A 138 6.893 -1.115 5.838 1.00 0.00 O ATOM 0 H TYR A 138 3.372 5.505 2.841 1.00 0.00 H new ATOM 0 HA TYR A 138 5.989 4.756 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.974 4.175 4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.332 3.275 3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.559 3.369 5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.510 0.972 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.708 1.341 6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.657 -1.052 4.478 1.00 0.00 H new ATOM 0 HH TYR A 138 6.383 -1.904 5.558 1.00 0.00 H new ATOM 235 N ALA A 139 4.700 3.171 1.029 1.00 0.00 N ATOM 236 CA ALA A 139 5.063 2.366 -0.124 1.00 0.00 C ATOM 237 C ALA A 139 6.013 3.163 -0.995 1.00 0.00 C ATOM 238 O ALA A 139 7.049 2.666 -1.429 1.00 0.00 O ATOM 239 CB ALA A 139 3.828 1.963 -0.916 1.00 0.00 C ATOM 0 H ALA A 139 3.719 3.450 1.062 1.00 0.00 H new ATOM 0 HA ALA A 139 5.551 1.452 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.127 1.361 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.161 1.382 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.310 2.857 -1.263 1.00 0.00 H new ATOM 245 N ARG A 140 5.659 4.421 -1.222 1.00 0.00 N ATOM 246 CA ARG A 140 6.486 5.315 -2.019 1.00 0.00 C ATOM 247 C ARG A 140 7.902 5.365 -1.449 1.00 0.00 C ATOM 248 O ARG A 140 8.878 5.521 -2.184 1.00 0.00 O ATOM 249 CB ARG A 140 5.872 6.719 -2.040 1.00 0.00 C ATOM 250 CG ARG A 140 6.761 7.773 -2.685 1.00 0.00 C ATOM 251 CD ARG A 140 7.255 8.790 -1.666 1.00 0.00 C ATOM 252 NE ARG A 140 7.810 9.981 -2.306 1.00 0.00 N ATOM 253 CZ ARG A 140 7.070 10.948 -2.843 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.746 10.871 -2.819 1.00 0.00 N ATOM 255 NH2 ARG A 140 7.656 11.996 -3.405 1.00 0.00 N ATOM 0 H ARG A 140 4.803 4.845 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 140 6.533 4.938 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.923 6.682 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.649 7.023 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.614 7.289 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 140 6.207 8.285 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.431 9.080 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 140 8.015 8.330 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 140 8.825 10.077 -2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 140 5.290 10.067 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 140 5.184 11.615 -3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 140 8.674 12.061 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 140 7.089 12.737 -3.817 1.00 0.00 H new ATOM 269 N GLU A 141 8.002 5.218 -0.131 1.00 0.00 N ATOM 270 CA GLU A 141 9.286 5.234 0.553 1.00 0.00 C ATOM 271 C GLU A 141 9.937 3.857 0.524 1.00 0.00 C ATOM 272 O GLU A 141 11.157 3.734 0.412 1.00 0.00 O ATOM 273 CB GLU A 141 9.099 5.683 2.001 1.00 0.00 C ATOM 274 CG GLU A 141 8.928 7.184 2.158 1.00 0.00 C ATOM 275 CD GLU A 141 10.225 7.886 2.509 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.964 8.267 1.578 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.501 8.053 3.716 1.00 0.00 O ATOM 0 H GLU A 141 7.201 5.086 0.486 1.00 0.00 H new ATOM 0 HA GLU A 141 9.939 5.936 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.226 5.181 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.961 5.361 2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.534 7.600 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.190 7.382 2.935 1.00 0.00 H new ATOM 284 N LYS A 142 9.112 2.822 0.643 1.00 0.00 N ATOM 285 CA LYS A 142 9.592 1.447 0.648 1.00 0.00 C ATOM 286 C LYS A 142 9.824 0.923 -0.770 1.00 0.00 C ATOM 287 O LYS A 142 9.863 -0.289 -0.986 1.00 0.00 O ATOM 288 CB LYS A 142 8.569 0.551 1.355 1.00 0.00 C ATOM 289 CG LYS A 142 8.487 0.696 2.879 1.00 0.00 C ATOM 290 CD LYS A 142 9.396 1.783 3.448 1.00 0.00 C ATOM 291 CE LYS A 142 10.645 1.191 4.077 1.00 0.00 C ATOM 292 NZ LYS A 142 10.327 0.353 5.267 1.00 0.00 N ATOM 0 H LYS A 142 8.100 2.912 0.738 1.00 0.00 H new ATOM 0 HA LYS A 142 10.545 1.428 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.584 0.758 0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.802 -0.488 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.456 0.915 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.746 -0.258 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.680 2.474 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 142 8.851 2.361 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.171 0.587 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.320 1.995 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.918 0.651 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 9.323 0.468 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.518 -0.646 5.049 1.00 0.00 H new ATOM 306 N GLY A 143 9.964 1.827 -1.737 1.00 0.00 N ATOM 307 CA GLY A 143 10.173 1.405 -3.111 1.00 0.00 C ATOM 308 C GLY A 143 9.028 0.549 -3.623 1.00 0.00 C ATOM 309 O GLY A 143 9.177 -0.191 -4.596 1.00 0.00 O ATOM 0 H GLY A 143 9.937 2.837 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.282 2.283 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.105 0.844 -3.180 1.00 0.00 H new ATOM 313 N VAL A 144 7.882 0.653 -2.955 1.00 0.00 N ATOM 314 CA VAL A 144 6.695 -0.105 -3.320 1.00 0.00 C ATOM 315 C VAL A 144 5.614 0.810 -3.885 1.00 0.00 C ATOM 316 O VAL A 144 5.435 1.937 -3.425 1.00 0.00 O ATOM 317 CB VAL A 144 6.129 -0.859 -2.096 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.744 -1.425 -2.388 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.082 -1.962 -1.665 1.00 0.00 C ATOM 0 H VAL A 144 7.753 1.264 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 144 6.990 -0.824 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 144 6.030 -0.147 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.372 -1.950 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.064 -0.611 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.804 -2.119 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.668 -2.483 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.216 -2.668 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.045 -1.527 -1.399 1.00 0.00 H new ATOM 329 N ASP A 145 4.887 0.306 -4.873 1.00 0.00 N ATOM 330 CA ASP A 145 3.810 1.060 -5.494 1.00 0.00 C ATOM 331 C ASP A 145 2.479 0.363 -5.248 1.00 0.00 C ATOM 332 O ASP A 145 2.350 -0.841 -5.470 1.00 0.00 O ATOM 333 CB ASP A 145 4.059 1.215 -6.996 1.00 0.00 C ATOM 334 CG ASP A 145 3.041 2.124 -7.660 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.972 2.358 -7.058 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.315 2.601 -8.781 1.00 0.00 O ATOM 0 H ASP A 145 5.026 -0.627 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 145 3.777 2.054 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.060 1.616 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.030 0.234 -7.470 1.00 0.00 H new ATOM 341 N ILE A 146 1.492 1.121 -4.788 1.00 0.00 N ATOM 342 CA ILE A 146 0.171 0.567 -4.514 1.00 0.00 C ATOM 343 C ILE A 146 -0.353 -0.225 -5.711 1.00 0.00 C ATOM 344 O ILE A 146 -1.199 -1.108 -5.562 1.00 0.00 O ATOM 345 CB ILE A 146 -0.842 1.675 -4.160 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.276 2.595 -3.074 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.160 1.067 -3.703 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.086 1.872 -1.795 1.00 0.00 C ATOM 0 H ILE A 146 1.580 2.119 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 146 0.279 -0.101 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.026 2.269 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.611 3.097 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -1.008 3.370 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.862 1.864 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.574 0.452 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.989 0.449 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.480 2.586 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.802 1.393 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.842 1.115 -2.006 1.00 0.00 H new ATOM 360 N ARG A 147 0.161 0.088 -6.899 1.00 0.00 N ATOM 361 CA ARG A 147 -0.255 -0.603 -8.114 1.00 0.00 C ATOM 362 C ARG A 147 0.115 -2.078 -8.043 1.00 0.00 C ATOM 363 O ARG A 147 -0.605 -2.938 -8.551 1.00 0.00 O ATOM 364 CB ARG A 147 0.392 0.042 -9.341 1.00 0.00 C ATOM 365 CG ARG A 147 -0.425 1.178 -9.934 1.00 0.00 C ATOM 366 CD ARG A 147 0.461 2.198 -10.632 1.00 0.00 C ATOM 367 NE ARG A 147 -0.222 3.474 -10.825 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.113 3.700 -11.787 1.00 0.00 C ATOM 369 NH1 ARG A 147 -1.433 2.738 -12.644 1.00 0.00 N ATOM 370 NH2 ARG A 147 -1.687 4.891 -11.892 1.00 0.00 N ATOM 0 H ARG A 147 0.864 0.813 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.338 -0.519 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.377 0.419 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.545 -0.721 -10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.147 0.776 -10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.994 1.669 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.365 2.356 -10.044 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.775 1.805 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.003 4.237 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.995 1.820 -12.567 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.117 2.917 -13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.445 5.633 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.370 5.065 -12.629 1.00 0.00 H new ATOM 384 N LEU A 148 1.241 -2.359 -7.402 1.00 0.00 N ATOM 385 CA LEU A 148 1.720 -3.723 -7.248 1.00 0.00 C ATOM 386 C LEU A 148 1.109 -4.381 -6.011 1.00 0.00 C ATOM 387 O LEU A 148 1.304 -5.574 -5.775 1.00 0.00 O ATOM 388 CB LEU A 148 3.245 -3.738 -7.144 1.00 0.00 C ATOM 389 CG LEU A 148 3.958 -2.541 -7.778 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.453 -2.615 -7.521 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.671 -2.478 -9.271 1.00 0.00 C ATOM 0 H LEU A 148 1.843 -1.653 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 148 1.414 -4.290 -8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.520 -3.787 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.615 -4.650 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 148 3.577 -1.629 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.944 -1.756 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.638 -2.609 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.851 -3.533 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.186 -1.621 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.023 -3.393 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.598 -2.375 -9.431 1.00 0.00 H new ATOM 403 N VAL A 149 0.374 -3.600 -5.221 1.00 0.00 N ATOM 404 CA VAL A 149 -0.252 -4.115 -4.011 1.00 0.00 C ATOM 405 C VAL A 149 -1.762 -4.239 -4.183 1.00 0.00 C ATOM 406 O VAL A 149 -2.371 -3.507 -4.962 1.00 0.00 O ATOM 407 CB VAL A 149 0.042 -3.212 -2.798 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.327 -3.918 -1.503 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.503 -2.789 -2.785 1.00 0.00 C ATOM 0 H VAL A 149 0.199 -2.611 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 149 0.173 -5.102 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.570 -2.314 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.112 -3.264 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.389 -4.162 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.255 -4.835 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.690 -2.152 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.137 -3.674 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.730 -2.238 -3.698 1.00 0.00 H new ATOM 419 N GLN A 150 -2.358 -5.171 -3.449 1.00 0.00 N ATOM 420 CA GLN A 150 -3.797 -5.395 -3.516 1.00 0.00 C ATOM 421 C GLN A 150 -4.477 -4.939 -2.229 1.00 0.00 C ATOM 422 O GLN A 150 -4.504 -5.670 -1.239 1.00 0.00 O ATOM 423 CB GLN A 150 -4.090 -6.876 -3.764 1.00 0.00 C ATOM 424 CG GLN A 150 -5.261 -7.116 -4.701 1.00 0.00 C ATOM 425 CD GLN A 150 -6.572 -6.598 -4.143 1.00 0.00 C ATOM 426 OE1 GLN A 150 -6.773 -5.389 -4.020 1.00 0.00 O ATOM 427 NE2 GLN A 150 -7.472 -7.513 -3.802 1.00 0.00 N ATOM 0 H GLN A 150 -1.866 -5.785 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.195 -4.808 -4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.200 -7.349 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.293 -7.362 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.061 -6.632 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.351 -8.184 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.262 -8.504 -3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -8.373 -7.225 -3.421 1.00 0.00 H new ATOM 436 N GLY A 151 -5.024 -3.728 -2.249 1.00 0.00 N ATOM 437 CA GLY A 151 -5.694 -3.203 -1.076 1.00 0.00 C ATOM 438 C GLY A 151 -6.848 -4.075 -0.627 1.00 0.00 C ATOM 439 O GLY A 151 -7.715 -4.428 -1.425 1.00 0.00 O ATOM 0 H GLY A 151 -5.015 -3.103 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.975 -3.110 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.063 -2.200 -1.291 1.00 0.00 H new ATOM 443 N THR A 152 -6.857 -4.425 0.654 1.00 0.00 N ATOM 444 CA THR A 152 -7.912 -5.261 1.212 1.00 0.00 C ATOM 445 C THR A 152 -8.682 -4.515 2.297 1.00 0.00 C ATOM 446 O THR A 152 -9.255 -5.130 3.197 1.00 0.00 O ATOM 447 CB THR A 152 -7.317 -6.549 1.782 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.955 -6.362 2.127 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.390 -7.718 0.824 1.00 0.00 C ATOM 0 H THR A 152 -6.144 -4.142 1.326 1.00 0.00 H new ATOM 0 HA THR A 152 -8.607 -5.513 0.411 1.00 0.00 H new ATOM 0 HB THR A 152 -7.920 -6.781 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.592 -7.196 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.951 -8.599 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.432 -7.920 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.840 -7.478 -0.086 1.00 0.00 H new ATOM 457 N GLY A 153 -8.690 -3.188 2.209 1.00 0.00 N ATOM 458 CA GLY A 153 -9.391 -2.384 3.194 1.00 0.00 C ATOM 459 C GLY A 153 -10.450 -1.493 2.575 1.00 0.00 C ATOM 460 O GLY A 153 -10.322 -1.066 1.428 1.00 0.00 O ATOM 0 H GLY A 153 -8.224 -2.656 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.858 -3.041 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.671 -1.767 3.732 1.00 0.00 H new ATOM 464 N LYS A 154 -11.500 -1.212 3.342 1.00 0.00 N ATOM 465 CA LYS A 154 -12.594 -0.364 2.879 1.00 0.00 C ATOM 466 C LYS A 154 -13.078 -0.781 1.484 1.00 0.00 C ATOM 467 O LYS A 154 -13.875 -1.709 1.354 1.00 0.00 O ATOM 468 CB LYS A 154 -12.161 1.105 2.892 1.00 0.00 C ATOM 469 CG LYS A 154 -13.216 2.050 2.341 1.00 0.00 C ATOM 470 CD LYS A 154 -13.651 3.071 3.381 1.00 0.00 C ATOM 471 CE LYS A 154 -12.971 4.413 3.163 1.00 0.00 C ATOM 472 NZ LYS A 154 -13.854 5.373 2.446 1.00 0.00 N ATOM 0 H LYS A 154 -11.616 -1.562 4.293 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.434 -0.489 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.921 1.396 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -11.247 1.212 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.821 2.567 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.081 1.476 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.733 3.199 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -13.414 2.700 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.683 4.835 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -12.054 4.267 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.353 6.275 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.109 4.983 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.718 5.533 3.003 1.00 0.00 H new ATOM 486 N ASN A 155 -12.599 -0.094 0.446 1.00 0.00 N ATOM 487 CA ASN A 155 -12.998 -0.405 -0.923 1.00 0.00 C ATOM 488 C ASN A 155 -11.818 -0.930 -1.733 1.00 0.00 C ATOM 489 O ASN A 155 -11.686 -0.633 -2.921 1.00 0.00 O ATOM 490 CB ASN A 155 -13.579 0.839 -1.599 1.00 0.00 C ATOM 491 CG ASN A 155 -12.649 2.033 -1.510 1.00 0.00 C ATOM 492 OD1 ASN A 155 -11.549 2.021 -2.064 1.00 0.00 O ATOM 493 ND2 ASN A 155 -13.085 3.073 -0.808 1.00 0.00 N ATOM 0 H ASN A 155 -11.937 0.678 0.529 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.760 -1.183 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.783 0.618 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.533 1.089 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -12.501 3.904 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.003 3.041 -0.365 1.00 0.00 H new ATOM 500 N GLY A 156 -10.960 -1.712 -1.086 1.00 0.00 N ATOM 501 CA GLY A 156 -9.805 -2.262 -1.767 1.00 0.00 C ATOM 502 C GLY A 156 -8.585 -1.366 -1.656 1.00 0.00 C ATOM 503 O GLY A 156 -7.706 -1.396 -2.516 1.00 0.00 O ATOM 0 H GLY A 156 -11.045 -1.974 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.572 -3.241 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.046 -2.414 -2.819 1.00 0.00 H new ATOM 507 N ARG A 157 -8.538 -0.565 -0.596 1.00 0.00 N ATOM 508 CA ARG A 157 -7.421 0.346 -0.373 1.00 0.00 C ATOM 509 C ARG A 157 -6.245 -0.381 0.271 1.00 0.00 C ATOM 510 O ARG A 157 -6.432 -1.308 1.060 1.00 0.00 O ATOM 511 CB ARG A 157 -7.864 1.515 0.512 1.00 0.00 C ATOM 512 CG ARG A 157 -6.742 2.477 0.868 1.00 0.00 C ATOM 513 CD ARG A 157 -7.152 3.422 1.985 1.00 0.00 C ATOM 514 NE ARG A 157 -8.344 4.194 1.641 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.088 4.843 2.532 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.771 4.815 3.820 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.154 5.524 2.134 1.00 0.00 N ATOM 0 H ARG A 157 -9.261 -0.528 0.122 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.097 0.732 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.654 2.066 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.295 1.119 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.861 1.913 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.462 3.054 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.341 2.849 2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.330 4.103 2.203 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.622 4.238 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.952 4.293 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.346 5.315 4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.403 5.550 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.725 6.022 2.817 1.00 0.00 H new ATOM 531 N VAL A 158 -5.033 0.044 -0.072 1.00 0.00 N ATOM 532 CA VAL A 158 -3.829 -0.570 0.473 1.00 0.00 C ATOM 533 C VAL A 158 -3.511 -0.021 1.858 1.00 0.00 C ATOM 534 O VAL A 158 -3.546 1.188 2.087 1.00 0.00 O ATOM 535 CB VAL A 158 -2.609 -0.352 -0.451 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.308 -0.694 0.264 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.744 -1.178 -1.716 1.00 0.00 C ATOM 0 H VAL A 158 -4.860 0.809 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.028 -1.639 0.545 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.581 0.704 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.468 -0.531 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.197 -0.057 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.327 -1.739 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.876 -1.011 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.806 -2.235 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.648 -0.882 -2.249 1.00 0.00 H new ATOM 547 N LEU A 159 -3.186 -0.925 2.772 1.00 0.00 N ATOM 548 CA LEU A 159 -2.839 -0.550 4.133 1.00 0.00 C ATOM 549 C LEU A 159 -1.336 -0.673 4.338 1.00 0.00 C ATOM 550 O LEU A 159 -0.657 -1.356 3.573 1.00 0.00 O ATOM 551 CB LEU A 159 -3.576 -1.445 5.132 1.00 0.00 C ATOM 552 CG LEU A 159 -5.102 -1.294 5.145 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.688 -1.923 6.400 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.501 0.173 5.048 1.00 0.00 C ATOM 0 H LEU A 159 -3.156 -1.929 2.592 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.138 0.485 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.332 -2.484 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.198 -1.233 6.132 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.504 -1.815 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.772 -1.807 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.437 -2.983 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.276 -1.430 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.588 0.256 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.087 0.720 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.114 0.595 4.120 1.00 0.00 H new ATOM 566 N LYS A 160 -0.809 -0.024 5.368 1.00 0.00 N ATOM 567 CA LYS A 160 0.622 -0.101 5.638 1.00 0.00 C ATOM 568 C LYS A 160 1.038 -1.560 5.780 1.00 0.00 C ATOM 569 O LYS A 160 2.148 -1.941 5.406 1.00 0.00 O ATOM 570 CB LYS A 160 0.987 0.682 6.899 1.00 0.00 C ATOM 571 CG LYS A 160 2.480 0.933 7.043 1.00 0.00 C ATOM 572 CD LYS A 160 2.919 0.870 8.497 1.00 0.00 C ATOM 573 CE LYS A 160 3.620 -0.441 8.812 1.00 0.00 C ATOM 574 NZ LYS A 160 2.728 -1.614 8.600 1.00 0.00 N ATOM 0 H LYS A 160 -1.340 0.553 6.021 1.00 0.00 H new ATOM 0 HA LYS A 160 1.158 0.347 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.465 1.639 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.632 0.135 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.032 0.193 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.727 1.911 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.589 1.703 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.050 0.984 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.505 -0.540 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 160 3.964 -0.429 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 2.843 -2.285 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 1.739 -1.295 8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 2.978 -2.083 7.706 1.00 0.00 H new ATOM 588 N GLU A 161 0.124 -2.377 6.298 1.00 0.00 N ATOM 589 CA GLU A 161 0.383 -3.799 6.458 1.00 0.00 C ATOM 590 C GLU A 161 0.549 -4.435 5.086 1.00 0.00 C ATOM 591 O GLU A 161 1.389 -5.313 4.889 1.00 0.00 O ATOM 592 CB GLU A 161 -0.761 -4.473 7.219 1.00 0.00 C ATOM 593 CG GLU A 161 -0.983 -3.905 8.612 1.00 0.00 C ATOM 594 CD GLU A 161 0.155 -4.225 9.561 1.00 0.00 C ATOM 595 OE1 GLU A 161 1.168 -3.495 9.539 1.00 0.00 O ATOM 596 OE2 GLU A 161 0.035 -5.206 10.324 1.00 0.00 O ATOM 0 H GLU A 161 -0.799 -2.077 6.612 1.00 0.00 H new ATOM 0 HA GLU A 161 1.298 -3.933 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.680 -4.369 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.554 -5.540 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.102 -2.824 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.913 -4.303 9.019 1.00 0.00 H new ATOM 603 N ASP A 162 -0.250 -3.962 4.131 1.00 0.00 N ATOM 604 CA ASP A 162 -0.183 -4.459 2.762 1.00 0.00 C ATOM 605 C ASP A 162 1.189 -4.158 2.175 1.00 0.00 C ATOM 606 O ASP A 162 1.857 -5.038 1.633 1.00 0.00 O ATOM 607 CB ASP A 162 -1.273 -3.808 1.909 1.00 0.00 C ATOM 608 CG ASP A 162 -2.584 -4.564 1.958 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.570 -5.795 1.740 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.626 -3.924 2.214 1.00 0.00 O ATOM 0 H ASP A 162 -0.950 -3.236 4.282 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.343 -5.537 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.435 -2.786 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.932 -3.747 0.876 1.00 0.00 H new ATOM 615 N ILE A 163 1.603 -2.903 2.308 1.00 0.00 N ATOM 616 CA ILE A 163 2.904 -2.459 1.817 1.00 0.00 C ATOM 617 C ILE A 163 4.010 -3.356 2.353 1.00 0.00 C ATOM 618 O ILE A 163 4.799 -3.916 1.590 1.00 0.00 O ATOM 619 CB ILE A 163 3.208 -1.010 2.255 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.043 -0.085 1.914 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.497 -0.514 1.608 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.700 -0.080 0.451 1.00 0.00 C ATOM 0 H ILE A 163 1.053 -2.170 2.755 1.00 0.00 H new ATOM 0 HA ILE A 163 2.868 -2.509 0.729 1.00 0.00 H new ATOM 0 HB ILE A 163 3.342 -1.002 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.166 -0.390 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.290 0.930 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.695 0.509 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.325 -1.155 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.393 -0.541 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.864 0.597 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.564 0.253 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.423 -1.087 0.139 1.00 0.00 H new ATOM 634 N ASP A 164 4.056 -3.490 3.675 1.00 0.00 N ATOM 635 CA ASP A 164 5.059 -4.322 4.325 1.00 0.00 C ATOM 636 C ASP A 164 4.991 -5.752 3.800 1.00 0.00 C ATOM 637 O ASP A 164 6.013 -6.424 3.666 1.00 0.00 O ATOM 638 CB ASP A 164 4.856 -4.310 5.841 1.00 0.00 C ATOM 639 CG ASP A 164 6.076 -4.810 6.591 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.347 -6.028 6.539 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.758 -3.983 7.232 1.00 0.00 O ATOM 0 H ASP A 164 3.409 -3.032 4.317 1.00 0.00 H new ATOM 0 HA ASP A 164 6.044 -3.914 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.623 -3.296 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.997 -4.931 6.095 1.00 0.00 H new ATOM 646 N ALA A 165 3.777 -6.206 3.499 1.00 0.00 N ATOM 647 CA ALA A 165 3.575 -7.552 2.981 1.00 0.00 C ATOM 648 C ALA A 165 4.252 -7.712 1.626 1.00 0.00 C ATOM 649 O ALA A 165 4.852 -8.747 1.336 1.00 0.00 O ATOM 650 CB ALA A 165 2.089 -7.862 2.874 1.00 0.00 C ATOM 0 H ALA A 165 2.921 -5.661 3.605 1.00 0.00 H new ATOM 0 HA ALA A 165 4.027 -8.260 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.955 -8.871 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.630 -7.789 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.616 -7.148 2.200 1.00 0.00 H new ATOM 656 N TRP A 166 4.156 -6.673 0.802 1.00 0.00 N ATOM 657 CA TRP A 166 4.767 -6.688 -0.523 1.00 0.00 C ATOM 658 C TRP A 166 6.268 -6.921 -0.414 1.00 0.00 C ATOM 659 O TRP A 166 6.810 -7.860 -0.999 1.00 0.00 O ATOM 660 CB TRP A 166 4.501 -5.363 -1.239 1.00 0.00 C ATOM 661 CG TRP A 166 4.785 -5.409 -2.711 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.729 -4.689 -3.385 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.116 -6.210 -3.692 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.689 -4.993 -4.723 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.707 -5.925 -4.937 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.075 -7.143 -3.639 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.294 -6.535 -6.117 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.665 -7.750 -4.813 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.274 -7.444 -6.036 1.00 0.00 C ATOM 0 H TRP A 166 3.661 -5.810 1.028 1.00 0.00 H new ATOM 0 HA TRP A 166 4.325 -7.502 -1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.459 -5.080 -1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.113 -4.584 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.409 -3.983 -2.931 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.292 -4.591 -5.441 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.600 -7.385 -2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.761 -6.300 -7.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.862 -8.472 -4.785 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.932 -7.936 -6.935 1.00 0.00 H new ATOM 680 N LEU A 167 6.933 -6.056 0.342 1.00 0.00 N ATOM 681 CA LEU A 167 8.373 -6.153 0.541 1.00 0.00 C ATOM 682 C LEU A 167 8.734 -7.418 1.314 1.00 0.00 C ATOM 683 O LEU A 167 9.773 -8.031 1.070 1.00 0.00 O ATOM 684 CB LEU A 167 8.883 -4.921 1.289 1.00 0.00 C ATOM 685 CG LEU A 167 8.504 -3.581 0.653 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.832 -2.674 1.671 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.732 -2.905 0.059 1.00 0.00 C ATOM 0 H LEU A 167 6.494 -5.275 0.830 1.00 0.00 H new ATOM 0 HA LEU A 167 8.850 -6.202 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.496 -4.946 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.969 -4.980 1.359 1.00 0.00 H new ATOM 0 HG LEU A 167 7.795 -3.773 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.571 -1.727 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.928 -3.154 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.515 -2.489 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.443 -1.954 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.466 -2.728 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.167 -3.548 -0.706 1.00 0.00 H new ATOM 699 N ALA A 168 7.867 -7.801 2.246 1.00 0.00 N ATOM 700 CA ALA A 168 8.093 -8.993 3.055 1.00 0.00 C ATOM 701 C ALA A 168 7.853 -10.264 2.246 1.00 0.00 C ATOM 702 O ALA A 168 8.401 -11.321 2.556 1.00 0.00 O ATOM 703 CB ALA A 168 7.200 -8.972 4.285 1.00 0.00 C ATOM 0 H ALA A 168 7.002 -7.304 2.459 1.00 0.00 H new ATOM 0 HA ALA A 168 9.135 -8.991 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.379 -9.868 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.425 -8.089 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.155 -8.945 3.976 1.00 0.00 H new ATOM 709 N GLY A 169 7.030 -10.154 1.207 1.00 0.00 N ATOM 710 CA GLY A 169 6.733 -11.303 0.373 1.00 0.00 C ATOM 711 C GLY A 169 7.742 -11.481 -0.746 1.00 0.00 C ATOM 712 O GLY A 169 8.031 -12.604 -1.157 1.00 0.00 O ATOM 0 H GLY A 169 6.564 -9.290 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.716 -12.202 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.737 -11.191 -0.054 1.00 0.00 H new ATOM 716 N GLY A 170 8.277 -10.369 -1.238 1.00 0.00 N ATOM 717 CA GLY A 170 9.254 -10.427 -2.311 1.00 0.00 C ATOM 718 C GLY A 170 10.547 -9.721 -1.955 1.00 0.00 C ATOM 719 O GLY A 170 10.847 -9.602 -0.748 1.00 0.00 O ATOM 720 OXT GLY A 170 11.261 -9.286 -2.883 1.00 0.00 O ATOM 0 H GLY A 170 8.052 -9.428 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 170 9.466 -11.469 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 170 8.831 -9.975 -3.208 1.00 0.00 H new TER 724 GLY A 170