USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 371 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 1 ARG N :NH3+ -130:sc= 0.081 (180deg=-0.341) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -170:sc= -0.691 USER MOD Single : A 21 CYS SG : rot 71:sc= 0.145 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -0.315 K(o=-0.32,f=-2) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc=-0.00593 (180deg=-0.141) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 24.460 6.190 -16.142 1.00 0.00 N ATOM 2 CA ARG A 1 24.676 5.451 -17.418 1.00 0.00 C ATOM 3 C ARG A 1 23.327 5.035 -17.996 1.00 0.00 C ATOM 4 O ARG A 1 22.287 5.219 -17.366 1.00 0.00 O ATOM 5 CB ARG A 1 25.538 4.216 -17.151 1.00 0.00 C ATOM 6 CG ARG A 1 26.930 4.656 -16.691 1.00 0.00 C ATOM 7 CD ARG A 1 27.834 3.432 -16.540 1.00 0.00 C ATOM 8 NE ARG A 1 27.244 2.474 -15.600 1.00 0.00 N ATOM 9 CZ ARG A 1 27.290 2.622 -14.267 1.00 0.00 C ATOM 10 NH1 ARG A 1 27.873 3.648 -13.696 1.00 0.00 N ATOM 11 NH2 ARG A 1 26.735 1.712 -13.513 1.00 0.00 N ATOM 0 H1 ARG A 1 24.996 7.081 -16.162 1.00 0.00 H new ATOM 0 H2 ARG A 1 23.447 6.398 -16.028 1.00 0.00 H new ATOM 0 H3 ARG A 1 24.786 5.608 -15.344 1.00 0.00 H new ATOM 0 HA ARG A 1 25.188 6.093 -18.135 1.00 0.00 H new ATOM 0 HB2 ARG A 1 25.072 3.592 -16.389 1.00 0.00 H new ATOM 0 HB3 ARG A 1 25.616 3.611 -18.055 1.00 0.00 H new ATOM 0 HG2 ARG A 1 27.360 5.350 -17.413 1.00 0.00 H new ATOM 0 HG3 ARG A 1 26.859 5.187 -15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 1 27.979 2.957 -17.510 1.00 0.00 H new ATOM 0 HD3 ARG A 1 28.818 3.740 -16.186 1.00 0.00 H new ATOM 0 HE ARG A 1 26.774 1.652 -15.979 1.00 0.00 H new ATOM 0 HH11 ARG A 1 28.312 4.369 -14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 1 27.887 3.726 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 1 26.277 0.906 -13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 1 26.759 1.807 -12.498 1.00 0.00 H new ATOM 25 N SER A 2 23.355 4.472 -19.200 1.00 0.00 N ATOM 26 CA SER A 2 22.126 4.052 -19.864 1.00 0.00 C ATOM 27 C SER A 2 21.358 3.054 -19.002 1.00 0.00 C ATOM 28 O SER A 2 21.952 2.263 -18.271 1.00 0.00 O ATOM 29 CB SER A 2 22.455 3.413 -21.215 1.00 0.00 C ATOM 30 OG SER A 2 23.183 4.343 -22.005 1.00 0.00 O ATOM 0 H SER A 2 24.208 4.297 -19.732 1.00 0.00 H new ATOM 0 HA SER A 2 21.503 4.933 -20.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.040 2.505 -21.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.538 3.122 -21.727 1.00 0.00 H new ATOM 0 HG SER A 2 23.398 3.938 -22.871 1.00 0.00 H new ATOM 36 N LEU A 3 20.034 3.103 -19.097 1.00 0.00 N ATOM 37 CA LEU A 3 19.185 2.187 -18.335 1.00 0.00 C ATOM 38 C LEU A 3 19.331 0.722 -18.769 1.00 0.00 C ATOM 39 O LEU A 3 18.881 -0.176 -18.055 1.00 0.00 O ATOM 40 CB LEU A 3 17.710 2.654 -18.330 1.00 0.00 C ATOM 41 CG LEU A 3 16.920 2.409 -19.637 1.00 0.00 C ATOM 42 CD1 LEU A 3 17.714 2.795 -20.888 1.00 0.00 C ATOM 43 CD2 LEU A 3 16.468 0.949 -19.736 1.00 0.00 C ATOM 0 H LEU A 3 19.526 3.761 -19.688 1.00 0.00 H new ATOM 0 HA LEU A 3 19.542 2.221 -17.306 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.192 2.149 -17.515 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.688 3.721 -18.109 1.00 0.00 H new ATOM 0 HG LEU A 3 16.044 3.056 -19.593 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.111 2.602 -21.775 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.968 3.854 -20.845 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.629 2.204 -20.935 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.915 0.802 -20.663 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.341 0.296 -19.727 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.826 0.709 -18.888 1.00 0.00 H new ATOM 55 N LEU A 4 19.949 0.470 -19.921 1.00 0.00 N ATOM 56 CA LEU A 4 20.080 -0.893 -20.430 1.00 0.00 C ATOM 57 C LEU A 4 20.814 -1.783 -19.431 1.00 0.00 C ATOM 58 O LEU A 4 20.477 -2.956 -19.271 1.00 0.00 O ATOM 59 CB LEU A 4 20.842 -0.883 -21.758 1.00 0.00 C ATOM 60 CG LEU A 4 20.120 0.010 -22.770 1.00 0.00 C ATOM 61 CD1 LEU A 4 20.946 0.091 -24.056 1.00 0.00 C ATOM 62 CD2 LEU A 4 18.746 -0.582 -23.095 1.00 0.00 C ATOM 0 H LEU A 4 20.364 1.187 -20.516 1.00 0.00 H new ATOM 0 HA LEU A 4 19.078 -1.295 -20.583 1.00 0.00 H new ATOM 0 HB2 LEU A 4 21.858 -0.521 -21.601 1.00 0.00 H new ATOM 0 HB3 LEU A 4 20.922 -1.898 -22.148 1.00 0.00 H new ATOM 0 HG LEU A 4 19.996 1.006 -22.345 1.00 0.00 H new ATOM 0 HD11 LEU A 4 20.434 0.727 -24.778 1.00 0.00 H new ATOM 0 HD12 LEU A 4 21.926 0.512 -23.833 1.00 0.00 H new ATOM 0 HD13 LEU A 4 21.067 -0.908 -24.474 1.00 0.00 H new ATOM 0 HD21 LEU A 4 18.236 0.057 -23.816 1.00 0.00 H new ATOM 0 HD22 LEU A 4 18.870 -1.579 -23.518 1.00 0.00 H new ATOM 0 HD23 LEU A 4 18.153 -0.646 -22.183 1.00 0.00 H new ATOM 74 N GLU A 5 21.817 -1.223 -18.760 1.00 0.00 N ATOM 75 CA GLU A 5 22.590 -1.989 -17.789 1.00 0.00 C ATOM 76 C GLU A 5 21.700 -2.471 -16.646 1.00 0.00 C ATOM 77 O GLU A 5 21.846 -3.596 -16.168 1.00 0.00 O ATOM 78 CB GLU A 5 23.721 -1.125 -17.226 1.00 0.00 C ATOM 79 CG GLU A 5 24.690 -0.752 -18.354 1.00 0.00 C ATOM 80 CD GLU A 5 25.892 0.043 -17.831 1.00 0.00 C ATOM 81 OE1 GLU A 5 25.877 0.461 -16.681 1.00 0.00 O ATOM 82 OE2 GLU A 5 26.821 0.226 -18.600 1.00 0.00 O ATOM 0 H GLU A 5 22.111 -0.252 -18.869 1.00 0.00 H new ATOM 0 HA GLU A 5 23.010 -2.858 -18.295 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.312 -0.223 -16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 5 24.250 -1.666 -16.442 1.00 0.00 H new ATOM 0 HG2 GLU A 5 25.040 -1.659 -18.847 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.164 -0.163 -19.106 1.00 0.00 H new ATOM 89 N GLY A 6 20.778 -1.616 -16.213 1.00 0.00 N ATOM 90 CA GLY A 6 19.847 -1.982 -15.150 1.00 0.00 C ATOM 91 C GLY A 6 20.556 -2.179 -13.811 1.00 0.00 C ATOM 92 O GLY A 6 20.135 -3.002 -12.999 1.00 0.00 O ATOM 0 H GLY A 6 20.656 -0.672 -16.579 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.089 -1.205 -15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 6 19.327 -2.900 -15.424 1.00 0.00 H new ATOM 96 N GLU A 7 21.629 -1.425 -13.581 1.00 0.00 N ATOM 97 CA GLU A 7 22.373 -1.539 -12.330 1.00 0.00 C ATOM 98 C GLU A 7 22.845 -0.170 -11.853 1.00 0.00 C ATOM 99 O GLU A 7 23.886 0.324 -12.289 1.00 0.00 O ATOM 100 CB GLU A 7 23.581 -2.458 -12.525 1.00 0.00 C ATOM 101 CG GLU A 7 23.101 -3.860 -12.917 1.00 0.00 C ATOM 102 CD GLU A 7 22.242 -4.488 -11.816 1.00 0.00 C ATOM 103 OE1 GLU A 7 22.296 -4.026 -10.685 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.534 -5.432 -12.123 1.00 0.00 O ATOM 0 H GLU A 7 21.999 -0.736 -14.236 1.00 0.00 H new ATOM 0 HA GLU A 7 21.710 -1.961 -11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 7 24.235 -2.057 -13.299 1.00 0.00 H new ATOM 0 HB3 GLU A 7 24.166 -2.506 -11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 7 22.526 -3.803 -13.841 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.962 -4.498 -13.116 1.00 0.00 H new ATOM 111 N ILE A 8 22.075 0.440 -10.957 1.00 0.00 N ATOM 112 CA ILE A 8 22.435 1.741 -10.398 1.00 0.00 C ATOM 113 C ILE A 8 22.751 1.612 -8.905 1.00 0.00 C ATOM 114 O ILE A 8 22.265 0.685 -8.257 1.00 0.00 O ATOM 115 CB ILE A 8 21.282 2.731 -10.595 1.00 0.00 C ATOM 116 CG1 ILE A 8 20.013 2.187 -9.933 1.00 0.00 C ATOM 117 CG2 ILE A 8 21.028 2.926 -12.091 1.00 0.00 C ATOM 118 CD1 ILE A 8 18.919 3.255 -9.967 1.00 0.00 C ATOM 0 H ILE A 8 21.199 0.056 -10.602 1.00 0.00 H new ATOM 0 HA ILE A 8 23.321 2.108 -10.916 1.00 0.00 H new ATOM 0 HB ILE A 8 21.547 3.685 -10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 8 19.676 1.290 -10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 8 20.223 1.899 -8.903 1.00 0.00 H new ATOM 0 HG21 ILE A 8 20.208 3.630 -12.232 1.00 0.00 H new ATOM 0 HG22 ILE A 8 21.928 3.318 -12.565 1.00 0.00 H new ATOM 0 HG23 ILE A 8 20.767 1.969 -12.543 1.00 0.00 H new ATOM 0 HD11 ILE A 8 18.016 2.866 -9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 8 19.258 4.140 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.702 3.521 -11.002 1.00 0.00 H new ATOM 130 N PRO A 9 23.541 2.503 -8.345 1.00 0.00 N ATOM 131 CA PRO A 9 23.855 2.462 -6.888 1.00 0.00 C ATOM 132 C PRO A 9 22.820 3.225 -6.064 1.00 0.00 C ATOM 133 O PRO A 9 23.061 4.350 -5.624 1.00 0.00 O ATOM 134 CB PRO A 9 25.226 3.132 -6.811 1.00 0.00 C ATOM 135 CG PRO A 9 25.247 4.117 -7.932 1.00 0.00 C ATOM 136 CD PRO A 9 24.243 3.635 -8.986 1.00 0.00 C ATOM 0 HA PRO A 9 23.846 1.450 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 9 25.369 3.627 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 9 26.028 2.401 -6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.980 5.111 -7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 9 26.247 4.190 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 9 23.547 4.427 -9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 9 24.748 3.322 -9.900 1.00 0.00 H new ATOM 144 N PHE A 10 21.660 2.603 -5.863 1.00 0.00 N ATOM 145 CA PHE A 10 20.562 3.237 -5.129 1.00 0.00 C ATOM 146 C PHE A 10 20.381 2.642 -3.726 1.00 0.00 C ATOM 147 O PHE A 10 20.412 3.391 -2.749 1.00 0.00 O ATOM 148 CB PHE A 10 19.255 3.127 -5.934 1.00 0.00 C ATOM 149 CG PHE A 10 18.454 4.410 -5.980 1.00 0.00 C ATOM 150 CD1 PHE A 10 18.873 5.468 -6.796 1.00 0.00 C ATOM 151 CD2 PHE A 10 17.296 4.539 -5.205 1.00 0.00 C ATOM 152 CE1 PHE A 10 18.132 6.655 -6.837 1.00 0.00 C ATOM 153 CE2 PHE A 10 16.556 5.727 -5.246 1.00 0.00 C ATOM 154 CZ PHE A 10 16.974 6.785 -6.062 1.00 0.00 C ATOM 0 H PHE A 10 21.454 1.661 -6.197 1.00 0.00 H new ATOM 0 HA PHE A 10 20.819 4.288 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 10 19.492 2.821 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 10 18.638 2.340 -5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 10 19.767 5.368 -7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 10 16.973 3.723 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.454 7.471 -7.467 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.662 5.827 -4.648 1.00 0.00 H new ATOM 0 HZ PHE A 10 16.403 7.701 -6.093 1.00 0.00 H new ATOM 164 N PRO A 11 20.201 1.344 -3.589 1.00 0.00 N ATOM 165 CA PRO A 11 19.863 0.746 -2.259 1.00 0.00 C ATOM 166 C PRO A 11 20.849 1.177 -1.163 1.00 0.00 C ATOM 167 O PRO A 11 22.056 1.225 -1.421 1.00 0.00 O ATOM 168 CB PRO A 11 19.948 -0.766 -2.487 1.00 0.00 C ATOM 169 CG PRO A 11 19.748 -0.957 -3.951 1.00 0.00 C ATOM 170 CD PRO A 11 20.303 0.296 -4.625 1.00 0.00 C ATOM 0 HA PRO A 11 18.882 1.073 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.914 -1.158 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.185 -1.293 -1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 11 20.267 -1.849 -4.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 18.692 -1.089 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 11 21.335 0.152 -4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 11 19.728 0.558 -5.513 1.00 0.00 H new ATOM 178 N PRO A 12 20.397 1.463 0.044 1.00 0.00 N ATOM 179 CA PRO A 12 21.325 1.871 1.145 1.00 0.00 C ATOM 180 C PRO A 12 22.363 0.790 1.434 1.00 0.00 C ATOM 181 O PRO A 12 23.554 1.072 1.536 1.00 0.00 O ATOM 182 CB PRO A 12 20.423 2.103 2.363 1.00 0.00 C ATOM 183 CG PRO A 12 19.044 2.252 1.821 1.00 0.00 C ATOM 184 CD PRO A 12 19.003 1.438 0.530 1.00 0.00 C ATOM 0 HA PRO A 12 21.893 2.762 0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.482 1.266 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.727 2.995 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.304 1.888 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.813 3.300 1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.663 0.419 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.320 1.877 -0.197 1.00 0.00 H new ATOM 192 N THR A 13 21.905 -0.451 1.545 1.00 0.00 N ATOM 193 CA THR A 13 22.801 -1.564 1.850 1.00 0.00 C ATOM 194 C THR A 13 23.884 -1.752 0.782 1.00 0.00 C ATOM 195 O THR A 13 24.966 -2.257 1.077 1.00 0.00 O ATOM 196 CB THR A 13 21.992 -2.856 1.982 1.00 0.00 C ATOM 197 OG1 THR A 13 22.872 -3.937 2.258 1.00 0.00 O ATOM 198 CG2 THR A 13 21.241 -3.128 0.677 1.00 0.00 C ATOM 0 H THR A 13 20.926 -0.713 1.430 1.00 0.00 H new ATOM 0 HA THR A 13 23.300 -1.329 2.790 1.00 0.00 H new ATOM 0 HB THR A 13 21.274 -2.753 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 13 22.356 -4.765 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.666 -4.049 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.566 -2.299 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.956 -3.231 -0.139 1.00 0.00 H new ATOM 206 N SER A 14 23.628 -1.297 -0.443 1.00 0.00 N ATOM 207 CA SER A 14 24.526 -1.588 -1.556 1.00 0.00 C ATOM 208 C SER A 14 25.699 -0.623 -1.524 1.00 0.00 C ATOM 209 O SER A 14 26.863 -1.027 -1.533 1.00 0.00 O ATOM 210 CB SER A 14 23.781 -1.454 -2.885 1.00 0.00 C ATOM 211 OG SER A 14 22.704 -2.380 -2.913 1.00 0.00 O ATOM 0 H SER A 14 22.815 -0.732 -0.688 1.00 0.00 H new ATOM 0 HA SER A 14 24.892 -2.610 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.405 -0.438 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.460 -1.642 -3.717 1.00 0.00 H new ATOM 0 HG SER A 14 22.323 -2.411 -3.815 1.00 0.00 H new ATOM 217 N ILE A 15 25.376 0.659 -1.439 1.00 0.00 N ATOM 218 CA ILE A 15 26.406 1.676 -1.267 1.00 0.00 C ATOM 219 C ILE A 15 27.143 1.454 0.057 1.00 0.00 C ATOM 220 O ILE A 15 28.359 1.622 0.138 1.00 0.00 O ATOM 221 CB ILE A 15 25.783 3.077 -1.316 1.00 0.00 C ATOM 222 CG1 ILE A 15 26.892 4.129 -1.232 1.00 0.00 C ATOM 223 CG2 ILE A 15 24.801 3.271 -0.158 1.00 0.00 C ATOM 224 CD1 ILE A 15 26.338 5.491 -1.657 1.00 0.00 C ATOM 0 H ILE A 15 24.422 1.018 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 15 27.126 1.596 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 15 25.239 3.188 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.279 4.184 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 15 27.725 3.847 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 15 24.370 4.271 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 15 24.006 2.529 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 15 25.327 3.152 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 15 27.128 6.240 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 15 25.972 5.431 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.519 5.773 -0.995 1.00 0.00 H new ATOM 236 N LEU A 16 26.407 1.029 1.083 1.00 0.00 N ATOM 237 CA LEU A 16 27.015 0.732 2.373 1.00 0.00 C ATOM 238 C LEU A 16 28.015 -0.414 2.235 1.00 0.00 C ATOM 239 O LEU A 16 29.100 -0.374 2.811 1.00 0.00 O ATOM 240 CB LEU A 16 25.924 0.356 3.381 1.00 0.00 C ATOM 241 CG LEU A 16 26.514 0.293 4.798 1.00 0.00 C ATOM 242 CD1 LEU A 16 25.427 0.623 5.824 1.00 0.00 C ATOM 243 CD2 LEU A 16 27.059 -1.114 5.072 1.00 0.00 C ATOM 0 H LEU A 16 25.398 0.884 1.044 1.00 0.00 H new ATOM 0 HA LEU A 16 27.545 1.616 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 16 25.118 1.089 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 16 25.490 -0.608 3.116 1.00 0.00 H new ATOM 0 HG LEU A 16 27.324 1.018 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.849 0.577 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.043 1.626 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.615 -0.099 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.476 -1.153 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 16 26.251 -1.840 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 16 27.838 -1.350 4.347 1.00 0.00 H new ATOM 255 N LEU A 17 27.668 -1.414 1.431 1.00 0.00 N ATOM 256 CA LEU A 17 28.512 -2.596 1.291 1.00 0.00 C ATOM 257 C LEU A 17 29.866 -2.214 0.706 1.00 0.00 C ATOM 258 O LEU A 17 30.913 -2.642 1.194 1.00 0.00 O ATOM 259 CB LEU A 17 27.828 -3.621 0.383 1.00 0.00 C ATOM 260 CG LEU A 17 28.648 -4.912 0.349 1.00 0.00 C ATOM 261 CD1 LEU A 17 28.532 -5.625 1.698 1.00 0.00 C ATOM 262 CD2 LEU A 17 28.113 -5.825 -0.755 1.00 0.00 C ATOM 0 H LEU A 17 26.816 -1.431 0.871 1.00 0.00 H new ATOM 0 HA LEU A 17 28.665 -3.034 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 26.822 -3.828 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.726 -3.217 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 17 29.693 -4.674 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.116 -6.545 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.910 -4.975 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.487 -5.864 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.696 -6.745 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.068 -6.063 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.193 -5.318 -1.717 1.00 0.00 H new ATOM 274 N LEU A 18 29.839 -1.383 -0.328 1.00 0.00 N ATOM 275 CA LEU A 18 31.075 -0.907 -0.939 1.00 0.00 C ATOM 276 C LEU A 18 31.913 -0.162 0.094 1.00 0.00 C ATOM 277 O LEU A 18 33.126 -0.359 0.189 1.00 0.00 O ATOM 278 CB LEU A 18 30.756 0.023 -2.113 1.00 0.00 C ATOM 279 CG LEU A 18 29.900 -0.714 -3.146 1.00 0.00 C ATOM 280 CD1 LEU A 18 29.504 0.254 -4.263 1.00 0.00 C ATOM 281 CD2 LEU A 18 30.698 -1.873 -3.750 1.00 0.00 C ATOM 0 H LEU A 18 28.985 -1.027 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 18 31.639 -1.764 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.228 0.907 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.680 0.369 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 18 29.007 -1.102 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.894 -0.270 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.933 1.082 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 18 30.402 0.641 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.084 -2.394 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.593 -1.484 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 18 30.986 -2.567 -2.960 1.00 0.00 H new ATOM 293 N LEU A 19 31.251 0.666 0.897 1.00 0.00 N ATOM 294 CA LEU A 19 31.944 1.398 1.950 1.00 0.00 C ATOM 295 C LEU A 19 32.627 0.426 2.912 1.00 0.00 C ATOM 296 O LEU A 19 33.762 0.644 3.331 1.00 0.00 O ATOM 297 CB LEU A 19 30.951 2.272 2.719 1.00 0.00 C ATOM 298 CG LEU A 19 31.701 3.139 3.732 1.00 0.00 C ATOM 299 CD1 LEU A 19 32.497 4.215 2.992 1.00 0.00 C ATOM 300 CD2 LEU A 19 30.695 3.807 4.672 1.00 0.00 C ATOM 0 H LEU A 19 30.248 0.845 0.840 1.00 0.00 H new ATOM 0 HA LEU A 19 32.702 2.033 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 19 30.396 2.904 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 19 30.222 1.645 3.232 1.00 0.00 H new ATOM 0 HG LEU A 19 32.383 2.516 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.031 4.833 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.212 3.741 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 31.815 4.839 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.227 4.425 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.014 4.431 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.126 3.041 5.199 1.00 0.00 H new ATOM 312 N ALA A 20 31.941 -0.668 3.229 1.00 0.00 N ATOM 313 CA ALA A 20 32.468 -1.637 4.182 1.00 0.00 C ATOM 314 C ALA A 20 33.767 -2.251 3.670 1.00 0.00 C ATOM 315 O ALA A 20 34.738 -2.381 4.415 1.00 0.00 O ATOM 316 CB ALA A 20 31.440 -2.743 4.423 1.00 0.00 C ATOM 0 H ALA A 20 31.027 -0.904 2.843 1.00 0.00 H new ATOM 0 HA ALA A 20 32.673 -1.118 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.841 -3.463 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.524 -2.308 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.221 -3.248 3.482 1.00 0.00 H new ATOM 322 N CYS A 21 33.790 -2.602 2.390 1.00 0.00 N ATOM 323 CA CYS A 21 34.967 -3.235 1.807 1.00 0.00 C ATOM 324 C CYS A 21 36.177 -2.315 1.922 1.00 0.00 C ATOM 325 O CYS A 21 37.243 -2.724 2.380 1.00 0.00 O ATOM 326 CB CYS A 21 34.709 -3.564 0.336 1.00 0.00 C ATOM 327 SG CYS A 21 33.389 -4.795 0.216 1.00 0.00 S ATOM 0 H CYS A 21 33.016 -2.461 1.741 1.00 0.00 H new ATOM 0 HA CYS A 21 35.171 -4.157 2.352 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.429 -2.661 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 21 35.619 -3.945 -0.128 1.00 0.00 H new ATOM 0 HG CYS A 21 32.253 -4.245 0.527 1.00 0.00 H new ATOM 333 N ILE A 22 35.991 -1.055 1.545 1.00 0.00 N ATOM 334 CA ILE A 22 37.096 -0.099 1.554 1.00 0.00 C ATOM 335 C ILE A 22 37.682 0.012 2.961 1.00 0.00 C ATOM 336 O ILE A 22 38.897 -0.039 3.152 1.00 0.00 O ATOM 337 CB ILE A 22 36.605 1.274 1.077 1.00 0.00 C ATOM 338 CG1 ILE A 22 36.002 1.143 -0.326 1.00 0.00 C ATOM 339 CG2 ILE A 22 37.777 2.260 1.021 1.00 0.00 C ATOM 340 CD1 ILE A 22 35.350 2.468 -0.729 1.00 0.00 C ATOM 0 H ILE A 22 35.098 -0.673 1.233 1.00 0.00 H new ATOM 0 HA ILE A 22 37.874 -0.451 0.876 1.00 0.00 H new ATOM 0 HB ILE A 22 35.852 1.641 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 22 36.778 0.875 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.263 0.342 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 22 37.419 3.232 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 22 38.215 2.361 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 22 38.532 1.889 0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 22 34.921 2.374 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 22 34.562 2.717 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 22 36.101 3.258 -0.730 1.00 0.00 H new ATOM 352 N PHE A 23 36.802 0.127 3.947 1.00 0.00 N ATOM 353 CA PHE A 23 37.239 0.286 5.328 1.00 0.00 C ATOM 354 C PHE A 23 38.097 -0.902 5.749 1.00 0.00 C ATOM 355 O PHE A 23 39.198 -0.738 6.275 1.00 0.00 O ATOM 356 CB PHE A 23 36.018 0.394 6.244 1.00 0.00 C ATOM 357 CG PHE A 23 36.358 0.731 7.677 1.00 0.00 C ATOM 358 CD1 PHE A 23 36.528 2.068 8.059 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.495 -0.290 8.625 1.00 0.00 C ATOM 360 CE1 PHE A 23 36.835 2.383 9.388 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.803 0.025 9.953 1.00 0.00 C ATOM 362 CZ PHE A 23 36.973 1.361 10.335 1.00 0.00 C ATOM 0 H PHE A 23 35.790 0.113 3.819 1.00 0.00 H new ATOM 0 HA PHE A 23 37.834 1.196 5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 23 35.347 1.157 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 23 35.474 -0.550 6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 23 36.422 2.856 7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.363 -1.321 8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 23 36.965 3.414 9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.910 -0.763 10.684 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.211 1.603 11.360 1.00 0.00 H new ATOM 372 N LEU A 24 37.612 -2.102 5.459 1.00 0.00 N ATOM 373 CA LEU A 24 38.293 -3.315 5.898 1.00 0.00 C ATOM 374 C LEU A 24 39.724 -3.344 5.377 1.00 0.00 C ATOM 375 O LEU A 24 40.653 -3.682 6.107 1.00 0.00 O ATOM 376 CB LEU A 24 37.536 -4.548 5.398 1.00 0.00 C ATOM 377 CG LEU A 24 38.168 -5.814 5.980 1.00 0.00 C ATOM 378 CD1 LEU A 24 37.866 -5.895 7.477 1.00 0.00 C ATOM 379 CD2 LEU A 24 37.585 -7.042 5.277 1.00 0.00 C ATOM 0 H LEU A 24 36.757 -2.262 4.926 1.00 0.00 H new ATOM 0 HA LEU A 24 38.318 -3.323 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.488 -4.486 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.561 -4.585 4.309 1.00 0.00 H new ATOM 0 HG LEU A 24 39.247 -5.784 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 24 38.317 -6.797 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.279 -5.020 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 24 36.787 -5.926 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 24 38.034 -7.945 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 24 36.506 -7.071 5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 37.799 -6.986 4.210 1.00 0.00 H new ATOM 391 N ILE A 25 39.900 -2.956 4.120 1.00 0.00 N ATOM 392 CA ILE A 25 41.227 -2.963 3.512 1.00 0.00 C ATOM 393 C ILE A 25 42.165 -2.010 4.253 1.00 0.00 C ATOM 394 O ILE A 25 43.303 -2.362 4.563 1.00 0.00 O ATOM 395 CB ILE A 25 41.126 -2.571 2.031 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.203 -3.555 1.309 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.509 -2.619 1.370 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.901 -3.037 -0.098 1.00 0.00 C ATOM 0 H ILE A 25 39.151 -2.636 3.507 1.00 0.00 H new ATOM 0 HA ILE A 25 41.639 -3.970 3.584 1.00 0.00 H new ATOM 0 HB ILE A 25 40.729 -1.558 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.674 -4.537 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.276 -3.678 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.421 -2.339 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.179 -1.924 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.912 -3.629 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.244 -3.739 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.412 -2.065 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.832 -2.937 -0.657 1.00 0.00 H new ATOM 410 N LYS A 26 41.673 -0.814 4.564 1.00 0.00 N ATOM 411 CA LYS A 26 42.527 0.215 5.149 1.00 0.00 C ATOM 412 C LYS A 26 43.142 -0.268 6.459 1.00 0.00 C ATOM 413 O LYS A 26 44.329 -0.054 6.711 1.00 0.00 O ATOM 414 CB LYS A 26 41.715 1.490 5.391 1.00 0.00 C ATOM 415 CG LYS A 26 42.643 2.610 5.869 1.00 0.00 C ATOM 416 CD LYS A 26 41.818 3.857 6.191 1.00 0.00 C ATOM 417 CE LYS A 26 42.756 5.021 6.516 1.00 0.00 C ATOM 418 NZ LYS A 26 41.972 6.140 7.109 1.00 0.00 N ATOM 0 H LYS A 26 40.702 -0.536 4.423 1.00 0.00 H new ATOM 0 HA LYS A 26 43.335 0.429 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 26 41.209 1.790 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 26 40.941 1.304 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.194 2.288 6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.381 2.838 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 26 41.183 4.114 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 26 41.158 3.661 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.529 4.696 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.263 5.357 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.609 6.931 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 41.250 6.456 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.508 5.815 7.981 1.00 0.00 H new ATOM 432 N ILE A 27 42.333 -0.918 7.288 1.00 0.00 N ATOM 433 CA ILE A 27 42.838 -1.459 8.553 1.00 0.00 C ATOM 434 C ILE A 27 43.642 -2.746 8.318 1.00 0.00 C ATOM 435 O ILE A 27 44.604 -3.014 9.038 1.00 0.00 O ATOM 436 CB ILE A 27 41.678 -1.684 9.545 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.048 -0.326 9.900 1.00 0.00 C ATOM 438 CG2 ILE A 27 42.175 -2.346 10.842 1.00 0.00 C ATOM 439 CD1 ILE A 27 39.985 0.041 8.866 1.00 0.00 C ATOM 0 H ILE A 27 41.341 -1.083 7.116 1.00 0.00 H new ATOM 0 HA ILE A 27 43.517 -0.730 8.995 1.00 0.00 H new ATOM 0 HB ILE A 27 40.948 -2.341 9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.601 -0.371 10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.818 0.445 9.932 1.00 0.00 H new ATOM 0 HG21 ILE A 27 41.335 -2.492 11.521 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.625 -3.311 10.609 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.918 -1.705 11.316 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.543 1.004 9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 27 40.444 0.105 7.879 1.00 0.00 H new ATOM 0 HD13 ILE A 27 39.208 -0.723 8.856 1.00 0.00 H new ATOM 451 N LEU A 28 43.255 -3.537 7.321 1.00 0.00 N ATOM 452 CA LEU A 28 43.912 -4.815 7.069 1.00 0.00 C ATOM 453 C LEU A 28 45.409 -4.621 6.849 1.00 0.00 C ATOM 454 O LEU A 28 46.222 -5.421 7.311 1.00 0.00 O ATOM 455 CB LEU A 28 43.292 -5.484 5.840 1.00 0.00 C ATOM 456 CG LEU A 28 43.878 -6.887 5.663 1.00 0.00 C ATOM 457 CD1 LEU A 28 43.351 -7.804 6.769 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.459 -7.443 4.300 1.00 0.00 C ATOM 0 H LEU A 28 42.494 -3.317 6.678 1.00 0.00 H new ATOM 0 HA LEU A 28 43.770 -5.453 7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 28 42.210 -5.544 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 28 43.486 -4.884 4.951 1.00 0.00 H new ATOM 0 HG LEU A 28 44.965 -6.837 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 28 43.768 -8.803 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 28 43.645 -7.408 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.264 -7.855 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 28 43.875 -8.442 4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 28 42.371 -7.493 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.832 -6.790 3.511 1.00 0.00 H new ATOM 470 N ALA A 29 45.766 -3.555 6.141 1.00 0.00 N ATOM 471 CA ALA A 29 47.172 -3.254 5.891 1.00 0.00 C ATOM 472 C ALA A 29 47.926 -3.109 7.211 1.00 0.00 C ATOM 473 O ALA A 29 49.044 -3.606 7.358 1.00 0.00 O ATOM 474 CB ALA A 29 47.296 -1.961 5.084 1.00 0.00 C ATOM 0 H ALA A 29 45.109 -2.890 5.733 1.00 0.00 H new ATOM 0 HA ALA A 29 47.607 -4.076 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.349 -1.745 4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 29 46.780 -2.076 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 29 46.848 -1.139 5.642 1.00 0.00 H new ATOM 480 N ALA A 30 47.305 -2.424 8.165 1.00 0.00 N ATOM 481 CA ALA A 30 47.879 -2.292 9.504 1.00 0.00 C ATOM 482 C ALA A 30 47.800 -3.599 10.303 1.00 0.00 C ATOM 483 O ALA A 30 48.579 -3.810 11.233 1.00 0.00 O ATOM 484 CB ALA A 30 47.147 -1.187 10.269 1.00 0.00 C ATOM 0 H ALA A 30 46.409 -1.953 8.040 1.00 0.00 H new ATOM 0 HA ALA A 30 48.933 -2.040 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.576 -1.090 11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.253 -0.243 9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.090 -1.440 10.351 1.00 0.00 H new ATOM 490 N SER A 31 46.869 -4.483 9.945 1.00 0.00 N ATOM 491 CA SER A 31 46.658 -5.713 10.700 1.00 0.00 C ATOM 492 C SER A 31 47.956 -6.499 10.861 1.00 0.00 C ATOM 493 O SER A 31 48.194 -7.101 11.906 1.00 0.00 O ATOM 494 CB SER A 31 45.621 -6.584 9.991 1.00 0.00 C ATOM 495 OG SER A 31 45.295 -7.691 10.821 1.00 0.00 O ATOM 0 H SER A 31 46.253 -4.369 9.140 1.00 0.00 H new ATOM 0 HA SER A 31 46.299 -5.439 11.692 1.00 0.00 H new ATOM 0 HB2 SER A 31 44.726 -6.001 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 31 46.014 -6.933 9.036 1.00 0.00 H new ATOM 0 HG SER A 31 44.629 -8.252 10.371 1.00 0.00 H new ATOM 501 N ALA A 32 48.804 -6.476 9.837 1.00 0.00 N ATOM 502 CA ALA A 32 50.053 -7.231 9.881 1.00 0.00 C ATOM 503 C ALA A 32 50.920 -6.779 11.053 1.00 0.00 C ATOM 504 O ALA A 32 51.329 -7.592 11.883 1.00 0.00 O ATOM 505 CB ALA A 32 50.822 -7.041 8.573 1.00 0.00 C ATOM 0 H ALA A 32 48.653 -5.950 8.976 1.00 0.00 H new ATOM 0 HA ALA A 32 49.811 -8.285 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.753 -7.607 8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.216 -7.397 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.046 -5.984 8.433 1.00 0.00 H new ATOM 511 N LEU A 33 51.175 -5.478 11.137 1.00 0.00 N ATOM 512 CA LEU A 33 52.037 -4.948 12.189 1.00 0.00 C ATOM 513 C LEU A 33 51.468 -5.253 13.572 1.00 0.00 C ATOM 514 O LEU A 33 52.210 -5.568 14.502 1.00 0.00 O ATOM 515 CB LEU A 33 52.188 -3.432 12.026 1.00 0.00 C ATOM 516 CG LEU A 33 52.758 -3.109 10.642 1.00 0.00 C ATOM 517 CD1 LEU A 33 52.807 -1.592 10.455 1.00 0.00 C ATOM 518 CD2 LEU A 33 54.177 -3.674 10.522 1.00 0.00 C ATOM 0 H LEU A 33 50.802 -4.777 10.497 1.00 0.00 H new ATOM 0 HA LEU A 33 53.011 -5.429 12.100 1.00 0.00 H new ATOM 0 HB2 LEU A 33 51.221 -2.946 12.153 1.00 0.00 H new ATOM 0 HB3 LEU A 33 52.846 -3.038 12.801 1.00 0.00 H new ATOM 0 HG LEU A 33 52.122 -3.557 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.213 -1.360 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 51.800 -1.182 10.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 53.443 -1.151 11.223 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.579 -3.442 9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.812 -3.227 11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.151 -4.755 10.658 1.00 0.00 H new ATOM 530 N TRP A 34 50.148 -5.160 13.702 1.00 0.00 N ATOM 531 CA TRP A 34 49.496 -5.401 14.985 1.00 0.00 C ATOM 532 C TRP A 34 49.700 -6.841 15.447 1.00 0.00 C ATOM 533 O TRP A 34 50.007 -7.092 16.612 1.00 0.00 O ATOM 534 CB TRP A 34 47.999 -5.110 14.868 1.00 0.00 C ATOM 535 CG TRP A 34 47.295 -5.087 16.187 1.00 0.00 C ATOM 536 CD1 TRP A 34 46.562 -6.104 16.695 1.00 0.00 C ATOM 537 CD2 TRP A 34 47.239 -4.012 17.170 1.00 0.00 C ATOM 538 NE1 TRP A 34 46.063 -5.725 17.927 1.00 0.00 N ATOM 539 CE2 TRP A 34 46.452 -4.444 18.265 1.00 0.00 C ATOM 540 CE3 TRP A 34 47.790 -2.720 17.220 1.00 0.00 C ATOM 541 CZ2 TRP A 34 46.220 -3.620 19.369 1.00 0.00 C ATOM 542 CZ3 TRP A 34 47.560 -1.889 18.326 1.00 0.00 C ATOM 543 CH2 TRP A 34 46.778 -2.337 19.400 1.00 0.00 C ATOM 0 H TRP A 34 49.513 -4.921 12.941 1.00 0.00 H new ATOM 0 HA TRP A 34 49.946 -4.736 15.723 1.00 0.00 H new ATOM 0 HB2 TRP A 34 47.861 -4.148 14.374 1.00 0.00 H new ATOM 0 HB3 TRP A 34 47.538 -5.865 14.231 1.00 0.00 H new ATOM 0 HD1 TRP A 34 46.394 -7.057 16.216 1.00 0.00 H new ATOM 0 HE1 TRP A 34 45.479 -6.319 18.515 1.00 0.00 H new ATOM 0 HE3 TRP A 34 48.396 -2.364 16.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 45.615 -3.970 20.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 47.988 -0.898 18.351 1.00 0.00 H new ATOM 0 HH2 TRP A 34 46.607 -1.693 20.250 1.00 0.00 H new ATOM 554 N ALA A 35 49.526 -7.783 14.526 1.00 0.00 N ATOM 555 CA ALA A 35 49.641 -9.199 14.857 1.00 0.00 C ATOM 556 C ALA A 35 51.051 -9.536 15.330 1.00 0.00 C ATOM 557 O ALA A 35 51.229 -10.297 16.280 1.00 0.00 O ATOM 558 CB ALA A 35 49.296 -10.049 13.634 1.00 0.00 C ATOM 0 H ALA A 35 49.306 -7.593 13.548 1.00 0.00 H new ATOM 0 HA ALA A 35 48.942 -9.417 15.665 1.00 0.00 H new ATOM 0 HB1 ALA A 35 49.384 -11.105 13.888 1.00 0.00 H new ATOM 0 HB2 ALA A 35 48.275 -9.836 13.319 1.00 0.00 H new ATOM 0 HB3 ALA A 35 49.983 -9.813 12.821 1.00 0.00 H new ATOM 564 N ALA A 36 52.049 -8.965 14.664 1.00 0.00 N ATOM 565 CA ALA A 36 53.438 -9.201 15.046 1.00 0.00 C ATOM 566 C ALA A 36 53.682 -8.750 16.484 1.00 0.00 C ATOM 567 O ALA A 36 54.397 -9.411 17.238 1.00 0.00 O ATOM 568 CB ALA A 36 54.375 -8.442 14.105 1.00 0.00 C ATOM 0 H ALA A 36 51.926 -8.342 13.866 1.00 0.00 H new ATOM 0 HA ALA A 36 53.639 -10.270 14.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 55.409 -8.624 14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 54.221 -8.786 13.082 1.00 0.00 H new ATOM 0 HB3 ALA A 36 54.163 -7.374 14.164 1.00 0.00 H new ATOM 574 N ALA A 37 53.085 -7.623 16.857 1.00 0.00 N ATOM 575 CA ALA A 37 53.215 -7.112 18.218 1.00 0.00 C ATOM 576 C ALA A 37 52.566 -8.063 19.223 1.00 0.00 C ATOM 577 O ALA A 37 53.082 -8.262 20.324 1.00 0.00 O ATOM 578 CB ALA A 37 52.559 -5.734 18.322 1.00 0.00 C ATOM 0 H ALA A 37 52.510 -7.049 16.241 1.00 0.00 H new ATOM 0 HA ALA A 37 54.277 -7.031 18.451 1.00 0.00 H new ATOM 0 HB1 ALA A 37 52.660 -5.359 19.340 1.00 0.00 H new ATOM 0 HB2 ALA A 37 53.047 -5.046 17.632 1.00 0.00 H new ATOM 0 HB3 ALA A 37 51.502 -5.814 18.068 1.00 0.00 H new ATOM 584 N TRP A 38 51.434 -8.647 18.840 1.00 0.00 N ATOM 585 CA TRP A 38 50.718 -9.567 19.718 1.00 0.00 C ATOM 586 C TRP A 38 51.619 -10.716 20.166 1.00 0.00 C ATOM 587 O TRP A 38 51.537 -11.168 21.308 1.00 0.00 O ATOM 588 CB TRP A 38 49.496 -10.133 18.993 1.00 0.00 C ATOM 589 CG TRP A 38 48.613 -10.962 19.871 1.00 0.00 C ATOM 590 CD1 TRP A 38 48.536 -12.313 19.839 1.00 0.00 C ATOM 591 CD2 TRP A 38 47.686 -10.522 20.905 1.00 0.00 C ATOM 592 NE1 TRP A 38 47.622 -12.730 20.788 1.00 0.00 N ATOM 593 CE2 TRP A 38 47.071 -11.665 21.472 1.00 0.00 C ATOM 594 CE3 TRP A 38 47.323 -9.259 21.403 1.00 0.00 C ATOM 595 CZ2 TRP A 38 46.127 -11.555 22.496 1.00 0.00 C ATOM 596 CZ3 TRP A 38 46.377 -9.144 22.431 1.00 0.00 C ATOM 597 CH2 TRP A 38 45.779 -10.289 22.977 1.00 0.00 C ATOM 0 H TRP A 38 50.994 -8.500 17.931 1.00 0.00 H new ATOM 0 HA TRP A 38 50.400 -9.012 20.601 1.00 0.00 H new ATOM 0 HB2 TRP A 38 48.914 -9.309 18.580 1.00 0.00 H new ATOM 0 HB3 TRP A 38 49.831 -10.739 18.152 1.00 0.00 H new ATOM 0 HD1 TRP A 38 49.097 -12.959 19.180 1.00 0.00 H new ATOM 0 HE1 TRP A 38 47.383 -13.706 20.962 1.00 0.00 H new ATOM 0 HE3 TRP A 38 47.777 -8.370 20.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 45.670 -12.440 22.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 46.107 -8.167 22.805 1.00 0.00 H new ATOM 0 HH2 TRP A 38 45.050 -10.193 23.768 1.00 0.00 H new ATOM 608 N HIS A 39 52.478 -11.186 19.265 1.00 0.00 N ATOM 609 CA HIS A 39 53.363 -12.300 19.580 1.00 0.00 C ATOM 610 C HIS A 39 54.459 -11.860 20.546 1.00 0.00 C ATOM 611 O HIS A 39 54.829 -10.686 20.586 1.00 0.00 O ATOM 612 CB HIS A 39 53.999 -12.842 18.298 1.00 0.00 C ATOM 613 CG HIS A 39 53.002 -13.431 17.339 1.00 0.00 C ATOM 614 ND1 HIS A 39 52.509 -12.721 16.256 1.00 0.00 N ATOM 615 CD2 HIS A 39 52.395 -14.662 17.285 1.00 0.00 C ATOM 616 CE1 HIS A 39 51.646 -13.519 15.604 1.00 0.00 C ATOM 617 NE2 HIS A 39 51.539 -14.715 16.188 1.00 0.00 N ATOM 0 H HIS A 39 52.579 -10.816 18.320 1.00 0.00 H new ATOM 0 HA HIS A 39 52.772 -13.084 20.052 1.00 0.00 H new ATOM 0 HB2 HIS A 39 54.538 -12.036 17.800 1.00 0.00 H new ATOM 0 HB3 HIS A 39 54.734 -13.603 18.560 1.00 0.00 H new ATOM 0 HD1 HIS A 39 52.756 -11.765 16.000 1.00 0.00 H new ATOM 0 HD2 HIS A 39 52.557 -15.467 17.987 1.00 0.00 H new ATOM 0 HE1 HIS A 39 51.105 -13.228 14.716 1.00 0.00 H new ATOM 625 N GLY A 40 54.973 -12.810 21.320 1.00 0.00 N ATOM 626 CA GLY A 40 56.021 -12.509 22.294 1.00 0.00 C ATOM 627 C GLY A 40 55.484 -12.392 23.724 1.00 0.00 C ATOM 628 O GLY A 40 56.244 -12.541 24.682 1.00 0.00 O ATOM 0 H GLY A 40 54.685 -13.788 21.294 1.00 0.00 H new ATOM 0 HA2 GLY A 40 56.780 -13.291 22.258 1.00 0.00 H new ATOM 0 HA3 GLY A 40 56.511 -11.576 22.017 1.00 0.00 H new ATOM 632 N GLN A 41 54.187 -12.128 23.876 1.00 0.00 N ATOM 633 CA GLN A 41 53.593 -12.000 25.202 1.00 0.00 C ATOM 634 C GLN A 41 52.895 -13.296 25.603 1.00 0.00 C ATOM 635 O GLN A 41 51.981 -13.757 24.920 1.00 0.00 O ATOM 636 CB GLN A 41 52.584 -10.848 25.212 1.00 0.00 C ATOM 637 CG GLN A 41 52.071 -10.625 26.639 1.00 0.00 C ATOM 638 CD GLN A 41 51.096 -9.449 26.692 1.00 0.00 C ATOM 639 OE1 GLN A 41 50.926 -8.721 25.713 1.00 0.00 O ATOM 640 NE2 GLN A 41 50.438 -9.218 27.794 1.00 0.00 N ATOM 0 H GLN A 41 53.534 -12.000 23.103 1.00 0.00 H new ATOM 0 HA GLN A 41 54.388 -11.793 25.919 1.00 0.00 H new ATOM 0 HB2 GLN A 41 53.052 -9.938 24.837 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.751 -11.075 24.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.577 -11.528 26.997 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.912 -10.436 27.306 1.00 0.00 H new ATOM 0 HE21 GLN A 41 50.577 -9.819 28.606 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.785 -8.436 27.844 1.00 0.00 H new ATOM 649 N LYS A 42 53.332 -13.877 26.715 1.00 0.00 N ATOM 650 CA LYS A 42 52.737 -15.114 27.206 1.00 0.00 C ATOM 651 C LYS A 42 51.383 -14.817 27.862 1.00 0.00 C ATOM 652 O LYS A 42 51.270 -13.810 28.564 1.00 0.00 O ATOM 653 CB LYS A 42 53.677 -15.750 28.235 1.00 0.00 C ATOM 654 CG LYS A 42 53.209 -17.168 28.566 1.00 0.00 C ATOM 655 CD LYS A 42 54.159 -17.795 29.590 1.00 0.00 C ATOM 656 CE LYS A 42 55.414 -18.303 28.878 1.00 0.00 C ATOM 657 NZ LYS A 42 55.107 -19.587 28.186 1.00 0.00 N ATOM 0 H LYS A 42 54.092 -13.514 27.290 1.00 0.00 H new ATOM 0 HA LYS A 42 52.585 -15.800 26.372 1.00 0.00 H new ATOM 0 HB2 LYS A 42 54.694 -15.776 27.843 1.00 0.00 H new ATOM 0 HB3 LYS A 42 53.700 -15.145 29.141 1.00 0.00 H new ATOM 0 HG2 LYS A 42 52.194 -17.144 28.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 53.182 -17.774 27.660 1.00 0.00 H new ATOM 0 HD2 LYS A 42 54.430 -17.060 30.348 1.00 0.00 H new ATOM 0 HD3 LYS A 42 53.663 -18.617 30.106 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.761 -17.563 28.157 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.220 -18.449 29.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 55.995 -20.076 27.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 54.534 -20.190 28.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 54.578 -19.392 27.312 1.00 0.00 H new ATOM 671 N PRO A 43 50.365 -15.633 27.671 1.00 0.00 N ATOM 672 CA PRO A 43 49.042 -15.395 28.326 1.00 0.00 C ATOM 673 C PRO A 43 49.191 -15.159 29.828 1.00 0.00 C ATOM 674 O PRO A 43 50.175 -15.578 30.436 1.00 0.00 O ATOM 675 CB PRO A 43 48.220 -16.661 28.035 1.00 0.00 C ATOM 676 CG PRO A 43 49.177 -17.652 27.461 1.00 0.00 C ATOM 677 CD PRO A 43 50.303 -16.842 26.830 1.00 0.00 C ATOM 0 HA PRO A 43 48.557 -14.498 27.941 1.00 0.00 H new ATOM 0 HB2 PRO A 43 47.760 -17.045 28.946 1.00 0.00 H new ATOM 0 HB3 PRO A 43 47.412 -16.449 27.335 1.00 0.00 H new ATOM 0 HG2 PRO A 43 49.562 -18.315 28.236 1.00 0.00 H new ATOM 0 HG3 PRO A 43 48.687 -18.281 26.718 1.00 0.00 H new ATOM 0 HD2 PRO A 43 51.246 -17.388 26.841 1.00 0.00 H new ATOM 0 HD3 PRO A 43 50.088 -16.598 25.790 1.00 0.00 H new ATOM 685 N GLY A 44 48.209 -14.485 30.417 1.00 0.00 N ATOM 686 CA GLY A 44 48.248 -14.192 31.845 1.00 0.00 C ATOM 687 C GLY A 44 46.936 -13.570 32.311 1.00 0.00 C ATOM 688 O GLY A 44 45.969 -13.494 31.553 1.00 0.00 O ATOM 0 H GLY A 44 47.383 -14.134 29.933 1.00 0.00 H new ATOM 0 HA2 GLY A 44 48.438 -15.109 32.403 1.00 0.00 H new ATOM 0 HA3 GLY A 44 49.073 -13.512 32.058 1.00 0.00 H new ATOM 692 N THR A 45 46.911 -13.124 33.563 1.00 0.00 N ATOM 693 CA THR A 45 45.711 -12.511 34.122 1.00 0.00 C ATOM 694 C THR A 45 45.596 -11.057 33.678 1.00 0.00 C ATOM 695 O THR A 45 46.571 -10.459 33.221 1.00 0.00 O ATOM 696 CB THR A 45 45.742 -12.577 35.652 1.00 0.00 C ATOM 697 OG1 THR A 45 46.830 -11.803 36.134 1.00 0.00 O ATOM 698 CG2 THR A 45 45.899 -14.029 36.110 1.00 0.00 C ATOM 0 H THR A 45 47.701 -13.175 34.206 1.00 0.00 H new ATOM 0 HA THR A 45 44.846 -13.064 33.756 1.00 0.00 H new ATOM 0 HB THR A 45 44.807 -12.180 36.049 1.00 0.00 H new ATOM 0 HG1 THR A 45 46.851 -11.842 37.113 1.00 0.00 H new ATOM 0 HG21 THR A 45 45.920 -14.067 37.199 1.00 0.00 H new ATOM 0 HG22 THR A 45 45.059 -14.619 35.743 1.00 0.00 H new ATOM 0 HG23 THR A 45 46.829 -14.437 35.715 1.00 0.00 H new ATOM 706 N HIS A 46 44.399 -10.494 33.814 1.00 0.00 N ATOM 707 CA HIS A 46 44.166 -9.109 33.419 1.00 0.00 C ATOM 708 C HIS A 46 45.120 -8.172 34.152 1.00 0.00 C ATOM 709 O HIS A 46 45.672 -8.588 35.157 1.00 0.00 O ATOM 710 CB HIS A 46 42.722 -8.716 33.730 1.00 0.00 C ATOM 711 CG HIS A 46 41.703 -9.532 32.982 1.00 0.00 C ATOM 712 ND1 HIS A 46 41.145 -10.684 33.513 1.00 0.00 N ATOM 713 CD2 HIS A 46 41.133 -9.377 31.742 1.00 0.00 C ATOM 714 CE1 HIS A 46 40.282 -11.173 32.606 1.00 0.00 C ATOM 715 NE2 HIS A 46 40.234 -10.415 31.508 1.00 0.00 N ATOM 716 OXT HIS A 46 45.285 -7.052 33.697 1.00 0.00 O ATOM 0 H HIS A 46 43.581 -10.972 34.192 1.00 0.00 H new ATOM 0 HA HIS A 46 44.345 -9.022 32.347 1.00 0.00 H new ATOM 0 HB2 HIS A 46 42.547 -8.824 34.800 1.00 0.00 H new ATOM 0 HB3 HIS A 46 42.581 -7.663 33.488 1.00 0.00 H new ATOM 0 HD2 HIS A 46 41.349 -8.573 31.054 1.00 0.00 H new ATOM 0 HE1 HIS A 46 39.698 -12.070 32.748 1.00 0.00 H new ATOM 0 HE2 HIS A 46 39.662 -10.564 30.677 1.00 0.00 H new TER 724 HIS A 46