USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 272 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 NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 37 ZNZN :(H bumps) USER MOD Set 1.1: A 33 SER OG : rot 180:sc= -0.0562 USER MOD Set 1.2: A 34 HIS : no HD1:sc= -1.44 K(o=-1.5,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -133:sc= -0.152 (180deg=-1.71!) USER MOD Single : A 19 SER OG : rot 30:sc= 0.352 USER MOD Single : A 20 SER OG : rot -42:sc= -0.136! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 7:sc= -0.715 USER MOD Single : A 28 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.015) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.594 12.478 0.177 1.00 1.00 N ATOM 2 CA GLY A 1 -9.251 11.973 0.578 1.00 1.00 C ATOM 3 C GLY A 1 -8.123 12.718 -0.109 1.00 1.00 C ATOM 4 O GLY A 1 -7.536 12.219 -1.070 1.00 1.00 O ATOM 0 H1 GLY A 1 -11.331 11.937 0.673 1.00 1.00 H new ATOM 0 H2 GLY A 1 -10.675 13.484 0.427 1.00 1.00 H new ATOM 0 H3 GLY A 1 -10.715 12.366 -0.850 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -9.139 12.066 1.658 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.179 10.912 0.340 1.00 1.00 H new ATOM 10 N SER A 2 -7.818 13.913 0.385 1.00 1.00 N ATOM 11 CA SER A 2 -6.753 14.727 -0.187 1.00 1.00 C ATOM 12 C SER A 2 -5.389 14.283 0.330 1.00 1.00 C ATOM 13 O SER A 2 -4.486 13.981 -0.449 1.00 1.00 O ATOM 14 CB SER A 2 -6.979 16.204 0.140 1.00 1.00 C ATOM 15 OG SER A 2 -6.605 17.032 -0.948 1.00 1.00 O ATOM 0 H SER A 2 -8.294 14.339 1.180 1.00 1.00 H new ATOM 0 HA SER A 2 -6.771 14.594 -1.269 1.00 1.00 H new ATOM 0 HB2 SER A 2 -8.029 16.369 0.382 1.00 1.00 H new ATOM 0 HB3 SER A 2 -6.401 16.476 1.023 1.00 1.00 H new ATOM 0 HG SER A 2 -6.761 17.971 -0.713 1.00 1.00 H new ATOM 21 N LEU A 3 -5.247 14.243 1.652 1.00 1.00 N ATOM 22 CA LEU A 3 -3.992 13.835 2.273 1.00 1.00 C ATOM 23 C LEU A 3 -4.226 13.341 3.697 1.00 1.00 C ATOM 24 O LEU A 3 -4.294 14.135 4.637 1.00 1.00 O ATOM 25 CB LEU A 3 -3.000 14.998 2.279 1.00 1.00 C ATOM 26 CG LEU A 3 -3.600 16.361 2.640 1.00 1.00 C ATOM 27 CD1 LEU A 3 -3.168 16.784 4.036 1.00 1.00 C ATOM 28 CD2 LEU A 3 -3.196 17.412 1.616 1.00 1.00 C ATOM 0 H LEU A 3 -5.985 14.488 2.312 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.575 13.015 1.688 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.202 14.771 2.986 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.542 15.070 1.293 1.00 1.00 H new ATOM 0 HG LEU A 3 -4.686 16.270 2.629 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -3.604 17.754 4.274 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -3.509 16.045 4.762 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -2.081 16.856 4.074 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -3.632 18.373 1.890 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -2.110 17.499 1.593 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -3.557 17.117 0.631 1.00 1.00 H new ATOM 40 N LEU A 4 -4.348 12.027 3.850 1.00 1.00 N ATOM 41 CA LEU A 4 -4.573 11.426 5.159 1.00 1.00 C ATOM 42 C LEU A 4 -4.602 9.904 5.061 1.00 1.00 C ATOM 43 O LEU A 4 -4.071 9.205 5.924 1.00 1.00 O ATOM 44 CB LEU A 4 -5.887 11.934 5.758 1.00 1.00 C ATOM 45 CG LEU A 4 -5.971 11.874 7.284 1.00 1.00 C ATOM 46 CD1 LEU A 4 -5.872 10.435 7.767 1.00 1.00 C ATOM 47 CD2 LEU A 4 -4.876 12.725 7.911 1.00 1.00 C ATOM 0 H LEU A 4 -4.295 11.357 3.083 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.748 11.715 5.810 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.037 12.966 5.442 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.708 11.350 5.341 1.00 1.00 H new ATOM 0 HG LEU A 4 -6.937 12.274 7.593 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -5.934 10.411 8.855 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -6.691 9.852 7.344 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.921 10.009 7.448 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -4.950 12.671 8.997 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.901 12.354 7.595 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -4.991 13.760 7.590 1.00 1.00 H new ATOM 59 N LYS A 5 -5.225 9.398 4.002 1.00 1.00 N ATOM 60 CA LYS A 5 -5.325 7.959 3.787 1.00 1.00 C ATOM 61 C LYS A 5 -5.009 7.604 2.336 1.00 1.00 C ATOM 62 O LYS A 5 -5.158 8.435 1.440 1.00 1.00 O ATOM 63 CB LYS A 5 -6.727 7.467 4.152 1.00 1.00 C ATOM 64 CG LYS A 5 -7.829 8.096 3.315 1.00 1.00 C ATOM 65 CD LYS A 5 -8.409 9.327 3.994 1.00 1.00 C ATOM 66 CE LYS A 5 -9.728 9.015 4.681 1.00 1.00 C ATOM 67 NZ LYS A 5 -10.897 9.420 3.853 1.00 1.00 N ATOM 0 H LYS A 5 -5.669 9.964 3.278 1.00 1.00 H new ATOM 0 HA LYS A 5 -4.595 7.466 4.430 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -6.765 6.384 4.034 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -6.915 7.679 5.204 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -7.433 8.371 2.337 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -8.620 7.366 3.145 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -7.698 9.709 4.726 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -8.560 10.114 3.255 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -9.784 7.947 4.890 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -9.768 9.530 5.641 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -11.777 9.190 4.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -10.858 10.444 3.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -10.874 8.910 2.947 1.00 1.00 H new ATOM 81 N PRO A 6 -4.570 6.359 2.083 1.00 1.00 N ATOM 82 CA PRO A 6 -4.235 5.898 0.732 1.00 1.00 C ATOM 83 C PRO A 6 -5.376 6.135 -0.253 1.00 1.00 C ATOM 84 O PRO A 6 -6.296 5.324 -0.361 1.00 1.00 O ATOM 85 CB PRO A 6 -3.977 4.392 0.906 1.00 1.00 C ATOM 86 CG PRO A 6 -4.492 4.051 2.266 1.00 1.00 C ATOM 87 CD PRO A 6 -4.365 5.303 3.083 1.00 1.00 C ATOM 0 HA PRO A 6 -3.381 6.436 0.321 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -4.490 3.815 0.137 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -2.915 4.164 0.821 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -5.529 3.720 2.218 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -3.917 3.237 2.708 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -5.110 5.346 3.877 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -3.387 5.379 3.559 1.00 1.00 H new ATOM 95 N ALA A 7 -5.307 7.253 -0.968 1.00 1.00 N ATOM 96 CA ALA A 7 -6.332 7.603 -1.945 1.00 1.00 C ATOM 97 C ALA A 7 -6.479 6.518 -3.007 1.00 1.00 C ATOM 98 O ALA A 7 -7.566 6.307 -3.545 1.00 1.00 O ATOM 99 CB ALA A 7 -6.005 8.938 -2.595 1.00 1.00 C ATOM 0 H ALA A 7 -4.551 7.933 -0.889 1.00 1.00 H new ATOM 0 HA ALA A 7 -7.283 7.688 -1.419 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -6.778 9.188 -3.322 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -5.962 9.714 -1.831 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -5.041 8.871 -3.099 1.00 1.00 H new ATOM 105 N ARG A 8 -5.379 5.836 -3.306 1.00 1.00 N ATOM 106 CA ARG A 8 -5.389 4.774 -4.306 1.00 1.00 C ATOM 107 C ARG A 8 -4.752 3.502 -3.761 1.00 1.00 C ATOM 108 O ARG A 8 -4.212 3.489 -2.654 1.00 1.00 O ATOM 109 CB ARG A 8 -4.650 5.227 -5.567 1.00 1.00 C ATOM 110 CG ARG A 8 -5.335 6.371 -6.296 1.00 1.00 C ATOM 111 CD ARG A 8 -4.326 7.371 -6.838 1.00 1.00 C ATOM 112 NE ARG A 8 -3.478 6.786 -7.874 1.00 1.00 N ATOM 113 CZ ARG A 8 -2.315 7.305 -8.261 1.00 1.00 C ATOM 114 NH1 ARG A 8 -1.858 8.418 -7.702 1.00 1.00 N ATOM 115 NH2 ARG A 8 -1.607 6.708 -9.211 1.00 1.00 N ATOM 0 H ARG A 8 -4.471 5.999 -2.871 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.427 4.558 -4.557 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -3.640 5.533 -5.296 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -4.555 4.380 -6.246 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -5.933 5.975 -7.117 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -6.022 6.877 -5.617 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -4.853 8.234 -7.245 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -3.702 7.735 -6.022 1.00 1.00 H new ATOM 0 HE ARG A 8 -3.796 5.929 -8.327 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -2.399 8.881 -6.971 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -0.966 8.811 -8.003 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -1.954 5.852 -9.644 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -0.716 7.105 -9.508 1.00 1.00 H new ATOM 129 N PHE A 9 -4.820 2.431 -4.545 1.00 1.00 N ATOM 130 CA PHE A 9 -4.251 1.148 -4.144 1.00 1.00 C ATOM 131 C PHE A 9 -3.297 0.621 -5.210 1.00 1.00 C ATOM 132 O PHE A 9 -3.668 -0.216 -6.033 1.00 1.00 O ATOM 133 CB PHE A 9 -5.359 0.122 -3.879 1.00 1.00 C ATOM 134 CG PHE A 9 -6.641 0.399 -4.616 1.00 1.00 C ATOM 135 CD1 PHE A 9 -6.653 0.516 -5.996 1.00 1.00 C ATOM 136 CD2 PHE A 9 -7.834 0.540 -3.925 1.00 1.00 C ATOM 137 CE1 PHE A 9 -7.831 0.769 -6.673 1.00 1.00 C ATOM 138 CE2 PHE A 9 -9.014 0.795 -4.596 1.00 1.00 C ATOM 139 CZ PHE A 9 -9.013 0.909 -5.973 1.00 1.00 C ATOM 0 H PHE A 9 -5.264 2.426 -5.463 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.691 1.304 -3.222 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -4.998 -0.868 -4.159 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.566 0.095 -2.809 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -5.732 0.408 -6.549 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -7.841 0.449 -2.849 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -7.827 0.857 -7.749 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -9.936 0.905 -4.045 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.934 1.107 -6.500 1.00 1.00 H new ATOM 149 N MET A 10 -2.063 1.116 -5.191 1.00 1.00 N ATOM 150 CA MET A 10 -1.055 0.696 -6.155 1.00 1.00 C ATOM 151 C MET A 10 0.339 1.101 -5.691 1.00 1.00 C ATOM 152 O MET A 10 0.609 2.279 -5.454 1.00 1.00 O ATOM 153 CB MET A 10 -1.346 1.306 -7.527 1.00 1.00 C ATOM 154 CG MET A 10 -0.350 0.895 -8.599 1.00 1.00 C ATOM 155 SD MET A 10 -0.697 1.652 -10.197 1.00 1.00 S ATOM 156 CE MET A 10 0.291 0.624 -11.281 1.00 1.00 C ATOM 0 H MET A 10 -1.738 1.809 -4.517 1.00 1.00 H new ATOM 0 HA MET A 10 -1.092 -0.391 -6.234 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.347 1.012 -7.841 1.00 1.00 H new ATOM 0 HB3 MET A 10 -1.346 2.393 -7.440 1.00 1.00 H new ATOM 0 HG2 MET A 10 0.655 1.172 -8.281 1.00 1.00 H new ATOM 0 HG3 MET A 10 -0.363 -0.190 -8.705 1.00 1.00 H new ATOM 0 HE1 MET A 10 0.864 1.256 -11.959 1.00 1.00 H new ATOM 0 HE2 MET A 10 0.974 0.018 -10.685 1.00 1.00 H new ATOM 0 HE3 MET A 10 -0.363 -0.029 -11.859 1.00 1.00 H new ATOM 166 N CYS A 11 1.223 0.117 -5.563 1.00 1.00 N ATOM 167 CA CYS A 11 2.592 0.371 -5.129 1.00 1.00 C ATOM 168 C CYS A 11 3.484 0.704 -6.321 1.00 1.00 C ATOM 169 O CYS A 11 4.091 -0.179 -6.927 1.00 1.00 O ATOM 170 CB CYS A 11 3.147 -0.837 -4.372 1.00 1.00 C ATOM 171 SG CYS A 11 4.430 -0.414 -3.147 1.00 1.00 S ATOM 0 H CYS A 11 1.016 -0.863 -5.754 1.00 1.00 H new ATOM 0 HA CYS A 11 2.582 1.229 -4.457 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.326 -1.344 -3.864 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.563 -1.544 -5.090 1.00 1.00 H new ATOM 176 N LEU A 12 3.549 1.989 -6.649 1.00 1.00 N ATOM 177 CA LEU A 12 4.356 2.468 -7.771 1.00 1.00 C ATOM 178 C LEU A 12 5.794 1.942 -7.715 1.00 1.00 C ATOM 179 O LEU A 12 6.314 1.447 -8.715 1.00 1.00 O ATOM 180 CB LEU A 12 4.373 4.001 -7.809 1.00 1.00 C ATOM 181 CG LEU A 12 3.074 4.688 -7.377 1.00 1.00 C ATOM 182 CD1 LEU A 12 3.142 6.182 -7.659 1.00 1.00 C ATOM 183 CD2 LEU A 12 1.878 4.067 -8.085 1.00 1.00 C ATOM 0 H LEU A 12 3.049 2.725 -6.151 1.00 1.00 H new ATOM 0 HA LEU A 12 3.892 2.084 -8.680 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.180 4.354 -7.167 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.611 4.319 -8.824 1.00 1.00 H new ATOM 0 HG LEU A 12 2.951 4.544 -6.304 1.00 1.00 H new ATOM 0 HD11 LEU A 12 2.211 6.654 -7.346 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.974 6.619 -7.107 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.290 6.344 -8.727 1.00 1.00 H new ATOM 0 HD21 LEU A 12 0.965 4.569 -7.765 1.00 1.00 H new ATOM 0 HD22 LEU A 12 1.995 4.179 -9.163 1.00 1.00 H new ATOM 0 HD23 LEU A 12 1.817 3.008 -7.835 1.00 1.00 H new ATOM 195 N PRO A 13 6.469 2.054 -6.553 1.00 1.00 N ATOM 196 CA PRO A 13 7.859 1.596 -6.405 1.00 1.00 C ATOM 197 C PRO A 13 8.014 0.076 -6.483 1.00 1.00 C ATOM 198 O PRO A 13 9.128 -0.441 -6.399 1.00 1.00 O ATOM 199 CB PRO A 13 8.258 2.100 -5.015 1.00 1.00 C ATOM 200 CG PRO A 13 6.973 2.258 -4.279 1.00 1.00 C ATOM 201 CD PRO A 13 5.948 2.647 -5.306 1.00 1.00 C ATOM 0 HA PRO A 13 8.483 1.974 -7.215 1.00 1.00 H new ATOM 0 HB2 PRO A 13 8.916 1.392 -4.512 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.796 3.046 -5.078 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.693 1.330 -3.781 1.00 1.00 H new ATOM 0 HG3 PRO A 13 7.058 3.021 -3.506 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.962 2.256 -5.057 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.851 3.730 -5.386 1.00 1.00 H new ATOM 209 N CYS A 14 6.904 -0.638 -6.645 1.00 1.00 N ATOM 210 CA CYS A 14 6.940 -2.091 -6.736 1.00 1.00 C ATOM 211 C CYS A 14 6.390 -2.561 -8.076 1.00 1.00 C ATOM 212 O CYS A 14 6.781 -3.612 -8.585 1.00 1.00 O ATOM 213 CB CYS A 14 6.129 -2.707 -5.599 1.00 1.00 C ATOM 214 SG CYS A 14 7.059 -2.930 -4.050 1.00 1.00 S ATOM 0 H CYS A 14 5.970 -0.233 -6.716 1.00 1.00 H new ATOM 0 HA CYS A 14 7.978 -2.414 -6.654 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.264 -2.074 -5.402 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.748 -3.676 -5.923 1.00 1.00 H new ATOM 219 N GLY A 15 5.482 -1.774 -8.645 1.00 1.00 N ATOM 220 CA GLY A 15 4.895 -2.123 -9.916 1.00 1.00 C ATOM 221 C GLY A 15 3.810 -3.173 -9.788 1.00 1.00 C ATOM 222 O GLY A 15 3.553 -3.930 -10.726 1.00 1.00 O ATOM 0 H GLY A 15 5.145 -0.899 -8.243 1.00 1.00 H new ATOM 0 HA2 GLY A 15 4.477 -1.228 -10.377 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.674 -2.491 -10.583 1.00 1.00 H new ATOM 226 N ILE A 16 3.169 -3.218 -8.624 1.00 1.00 N ATOM 227 CA ILE A 16 2.102 -4.179 -8.371 1.00 1.00 C ATOM 228 C ILE A 16 0.832 -3.475 -7.906 1.00 1.00 C ATOM 229 O ILE A 16 0.727 -3.064 -6.751 1.00 1.00 O ATOM 230 CB ILE A 16 2.515 -5.216 -7.307 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.938 -5.717 -7.568 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.534 -6.379 -7.293 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.493 -6.565 -6.445 1.00 1.00 C ATOM 0 H ILE A 16 3.371 -2.598 -7.840 1.00 1.00 H new ATOM 0 HA ILE A 16 1.911 -4.693 -9.313 1.00 1.00 H new ATOM 0 HB ILE A 16 2.496 -4.735 -6.329 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.947 -6.298 -8.490 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.594 -4.860 -7.724 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.839 -7.103 -6.537 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.535 -6.010 -7.060 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.524 -6.859 -8.272 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.504 -6.886 -6.697 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.516 -5.981 -5.525 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.859 -7.441 -6.303 1.00 1.00 H new ATOM 245 N ALA A 17 -0.128 -3.334 -8.813 1.00 1.00 N ATOM 246 CA ALA A 17 -1.389 -2.676 -8.492 1.00 1.00 C ATOM 247 C ALA A 17 -2.376 -3.654 -7.863 1.00 1.00 C ATOM 248 O ALA A 17 -2.754 -4.652 -8.478 1.00 1.00 O ATOM 249 CB ALA A 17 -1.989 -2.048 -9.742 1.00 1.00 C ATOM 0 H ALA A 17 -0.057 -3.666 -9.775 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.185 -1.890 -7.765 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -2.930 -1.560 -9.488 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -1.296 -1.311 -10.147 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.171 -2.823 -10.487 1.00 1.00 H new ATOM 255 N PHE A 18 -2.787 -3.361 -6.634 1.00 1.00 N ATOM 256 CA PHE A 18 -3.723 -4.203 -5.914 1.00 1.00 C ATOM 257 C PHE A 18 -5.162 -3.850 -6.285 1.00 1.00 C ATOM 258 O PHE A 18 -5.404 -3.195 -7.300 1.00 1.00 O ATOM 259 CB PHE A 18 -3.488 -4.028 -4.414 1.00 1.00 C ATOM 260 CG PHE A 18 -2.388 -4.896 -3.865 1.00 1.00 C ATOM 261 CD1 PHE A 18 -1.365 -5.351 -4.685 1.00 1.00 C ATOM 262 CD2 PHE A 18 -2.374 -5.255 -2.526 1.00 1.00 C ATOM 263 CE1 PHE A 18 -0.353 -6.146 -4.182 1.00 1.00 C ATOM 264 CE2 PHE A 18 -1.364 -6.051 -2.018 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.352 -6.497 -2.847 1.00 1.00 C ATOM 0 H PHE A 18 -2.481 -2.538 -6.115 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.562 -5.246 -6.187 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.248 -2.984 -4.213 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.413 -4.251 -3.883 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -1.360 -5.080 -5.730 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -3.161 -4.909 -1.872 1.00 1.00 H new ATOM 0 HE1 PHE A 18 0.436 -6.492 -4.833 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -1.366 -6.324 -0.973 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.438 -7.119 -2.451 1.00 1.00 H new ATOM 275 N SER A 19 -6.117 -4.283 -5.466 1.00 1.00 N ATOM 276 CA SER A 19 -7.526 -4.003 -5.727 1.00 1.00 C ATOM 277 C SER A 19 -8.336 -4.019 -4.434 1.00 1.00 C ATOM 278 O SER A 19 -9.532 -4.310 -4.443 1.00 1.00 O ATOM 279 CB SER A 19 -8.097 -5.026 -6.712 1.00 1.00 C ATOM 280 OG SER A 19 -7.919 -4.599 -8.051 1.00 1.00 O ATOM 0 H SER A 19 -5.942 -4.826 -4.621 1.00 1.00 H new ATOM 0 HA SER A 19 -7.596 -3.007 -6.165 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.607 -5.989 -6.566 1.00 1.00 H new ATOM 0 HB3 SER A 19 -9.158 -5.175 -6.512 1.00 1.00 H new ATOM 0 HG SER A 19 -7.108 -4.053 -8.115 1.00 1.00 H new ATOM 286 N SER A 20 -7.679 -3.692 -3.325 1.00 1.00 N ATOM 287 CA SER A 20 -8.338 -3.658 -2.027 1.00 1.00 C ATOM 288 C SER A 20 -7.486 -2.900 -1.013 1.00 1.00 C ATOM 289 O SER A 20 -6.261 -2.885 -1.116 1.00 1.00 O ATOM 290 CB SER A 20 -8.615 -5.077 -1.525 1.00 1.00 C ATOM 291 OG SER A 20 -8.858 -5.964 -2.603 1.00 1.00 O ATOM 0 H SER A 20 -6.689 -3.447 -3.301 1.00 1.00 H new ATOM 0 HA SER A 20 -9.289 -3.138 -2.143 1.00 1.00 H new ATOM 0 HB2 SER A 20 -7.764 -5.432 -0.943 1.00 1.00 H new ATOM 0 HB3 SER A 20 -9.476 -5.068 -0.857 1.00 1.00 H new ATOM 0 HG SER A 20 -9.434 -5.526 -3.264 1.00 1.00 H new ATOM 297 N PRO A 21 -8.121 -2.254 -0.021 1.00 1.00 N ATOM 298 CA PRO A 21 -7.406 -1.491 1.007 1.00 1.00 C ATOM 299 C PRO A 21 -6.667 -2.391 1.990 1.00 1.00 C ATOM 300 O PRO A 21 -5.505 -2.152 2.314 1.00 1.00 O ATOM 301 CB PRO A 21 -8.523 -0.724 1.718 1.00 1.00 C ATOM 302 CG PRO A 21 -9.740 -1.560 1.521 1.00 1.00 C ATOM 303 CD PRO A 21 -9.583 -2.214 0.175 1.00 1.00 C ATOM 0 HA PRO A 21 -6.636 -0.850 0.578 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -8.301 -0.592 2.777 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.653 0.271 1.293 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -9.831 -2.307 2.309 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.642 -0.949 1.555 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.017 -3.214 0.162 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -10.077 -1.641 -0.610 1.00 1.00 H new ATOM 311 N SER A 22 -7.349 -3.429 2.462 1.00 1.00 N ATOM 312 CA SER A 22 -6.754 -4.365 3.408 1.00 1.00 C ATOM 313 C SER A 22 -5.552 -5.068 2.789 1.00 1.00 C ATOM 314 O SER A 22 -4.566 -5.346 3.470 1.00 1.00 O ATOM 315 CB SER A 22 -7.792 -5.396 3.859 1.00 1.00 C ATOM 316 OG SER A 22 -7.899 -5.427 5.271 1.00 1.00 O ATOM 0 H SER A 22 -8.313 -3.643 2.205 1.00 1.00 H new ATOM 0 HA SER A 22 -6.414 -3.802 4.277 1.00 1.00 H new ATOM 0 HB2 SER A 22 -8.762 -5.155 3.423 1.00 1.00 H new ATOM 0 HB3 SER A 22 -7.513 -6.383 3.490 1.00 1.00 H new ATOM 0 HG SER A 22 -8.569 -6.092 5.534 1.00 1.00 H new ATOM 322 N THR A 23 -5.637 -5.349 1.492 1.00 1.00 N ATOM 323 CA THR A 23 -4.547 -6.014 0.790 1.00 1.00 C ATOM 324 C THR A 23 -3.292 -5.155 0.823 1.00 1.00 C ATOM 325 O THR A 23 -2.183 -5.663 0.997 1.00 1.00 O ATOM 326 CB THR A 23 -4.943 -6.322 -0.655 1.00 1.00 C ATOM 327 OG1 THR A 23 -5.569 -5.204 -1.254 1.00 1.00 O ATOM 328 CG2 THR A 23 -5.889 -7.497 -0.778 1.00 1.00 C ATOM 0 H THR A 23 -6.445 -5.128 0.910 1.00 1.00 H new ATOM 0 HA THR A 23 -4.338 -6.956 1.297 1.00 1.00 H new ATOM 0 HB THR A 23 -4.011 -6.570 -1.162 1.00 1.00 H new ATOM 0 HG1 THR A 23 -5.517 -4.436 -0.648 1.00 1.00 H new ATOM 0 HG21 THR A 23 -6.130 -7.662 -1.828 1.00 1.00 H new ATOM 0 HG22 THR A 23 -5.415 -8.390 -0.370 1.00 1.00 H new ATOM 0 HG23 THR A 23 -6.804 -7.287 -0.224 1.00 1.00 H new ATOM 336 N LEU A 24 -3.472 -3.846 0.677 1.00 1.00 N ATOM 337 CA LEU A 24 -2.356 -2.916 0.713 1.00 1.00 C ATOM 338 C LEU A 24 -1.605 -3.062 2.023 1.00 1.00 C ATOM 339 O LEU A 24 -0.375 -3.109 2.054 1.00 1.00 O ATOM 340 CB LEU A 24 -2.848 -1.475 0.561 1.00 1.00 C ATOM 341 CG LEU A 24 -4.046 -1.282 -0.368 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.341 0.198 -0.556 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.794 -1.955 -1.710 1.00 1.00 C ATOM 0 H LEU A 24 -4.382 -3.408 0.533 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.689 -3.147 -0.117 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.111 -1.094 1.548 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -2.023 -0.865 0.193 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.918 -1.749 0.090 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -5.197 0.317 -1.220 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.566 0.650 0.410 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.472 0.690 -0.993 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.657 -1.807 -2.359 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.911 -1.518 -2.176 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.633 -3.022 -1.557 1.00 1.00 H new ATOM 355 N GLU A 25 -2.365 -3.143 3.107 1.00 1.00 N ATOM 356 CA GLU A 25 -1.785 -3.296 4.431 1.00 1.00 C ATOM 357 C GLU A 25 -1.028 -4.613 4.529 1.00 1.00 C ATOM 358 O GLU A 25 -0.065 -4.735 5.286 1.00 1.00 O ATOM 359 CB GLU A 25 -2.876 -3.230 5.502 1.00 1.00 C ATOM 360 CG GLU A 25 -2.426 -2.560 6.790 1.00 1.00 C ATOM 361 CD GLU A 25 -1.370 -3.362 7.526 1.00 1.00 C ATOM 362 OE1 GLU A 25 -1.666 -4.509 7.924 1.00 1.00 O ATOM 363 OE2 GLU A 25 -0.248 -2.844 7.704 1.00 1.00 O ATOM 0 H GLU A 25 -3.384 -3.105 3.094 1.00 1.00 H new ATOM 0 HA GLU A 25 -1.084 -2.478 4.598 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.734 -2.689 5.102 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.214 -4.242 5.727 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -2.031 -1.570 6.562 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -3.288 -2.417 7.441 1.00 1.00 H new ATOM 370 N ALA A 26 -1.464 -5.591 3.747 1.00 1.00 N ATOM 371 CA ALA A 26 -0.830 -6.887 3.729 1.00 1.00 C ATOM 372 C ALA A 26 0.500 -6.811 2.999 1.00 1.00 C ATOM 373 O ALA A 26 1.472 -7.461 3.381 1.00 1.00 O ATOM 374 CB ALA A 26 -1.739 -7.922 3.084 1.00 1.00 C ATOM 0 H ALA A 26 -2.260 -5.503 3.115 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.644 -7.196 4.758 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.241 -8.892 3.081 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.668 -7.993 3.649 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.960 -7.624 2.059 1.00 1.00 H new ATOM 380 N HIS A 27 0.538 -5.989 1.957 1.00 1.00 N ATOM 381 CA HIS A 27 1.753 -5.798 1.183 1.00 1.00 C ATOM 382 C HIS A 27 2.727 -4.955 1.984 1.00 1.00 C ATOM 383 O HIS A 27 3.887 -5.320 2.171 1.00 1.00 O ATOM 384 CB HIS A 27 1.436 -5.120 -0.152 1.00 1.00 C ATOM 385 CG HIS A 27 2.651 -4.774 -0.958 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.329 -5.674 -1.750 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.308 -3.593 -1.085 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.355 -5.026 -2.320 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.386 -3.761 -1.949 1.00 1.00 N ATOM 0 H HIS A 27 -0.261 -5.445 1.630 1.00 1.00 H new ATOM 0 HA HIS A 27 2.202 -6.769 0.972 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.797 -5.778 -0.740 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.867 -4.210 0.039 1.00 1.00 H new ATOM 0 HD1 HIS A 27 3.093 -6.658 -1.880 1.00 1.00 H new ATOM 0 HD2 HIS A 27 3.037 -2.670 -0.594 1.00 1.00 H new ATOM 0 HE1 HIS A 27 5.064 -5.481 -2.995 1.00 1.00 H new ATOM 397 N GLN A 28 2.228 -3.830 2.476 1.00 1.00 N ATOM 398 CA GLN A 28 3.028 -2.930 3.288 1.00 1.00 C ATOM 399 C GLN A 28 3.506 -3.641 4.552 1.00 1.00 C ATOM 400 O GLN A 28 4.458 -3.206 5.199 1.00 1.00 O ATOM 401 CB GLN A 28 2.207 -1.690 3.656 1.00 1.00 C ATOM 402 CG GLN A 28 2.634 -0.438 2.909 1.00 1.00 C ATOM 403 CD GLN A 28 2.136 0.834 3.570 1.00 1.00 C ATOM 404 OE1 GLN A 28 1.484 1.663 2.935 1.00 1.00 O ATOM 405 NE2 GLN A 28 2.443 0.993 4.852 1.00 1.00 N ATOM 0 H GLN A 28 1.268 -3.520 2.325 1.00 1.00 H new ATOM 0 HA GLN A 28 3.901 -2.619 2.714 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.155 -1.886 3.449 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.293 -1.511 4.728 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.722 -0.409 2.848 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.258 -0.483 1.887 1.00 1.00 H new ATOM 0 HE21 GLN A 28 2.986 0.280 5.339 1.00 1.00 H new ATOM 0 HE22 GLN A 28 2.136 1.829 5.350 1.00 1.00 H new ATOM 414 N ALA A 29 2.834 -4.741 4.899 1.00 1.00 N ATOM 415 CA ALA A 29 3.186 -5.509 6.083 1.00 1.00 C ATOM 416 C ALA A 29 4.571 -6.134 5.954 1.00 1.00 C ATOM 417 O ALA A 29 5.464 -5.842 6.750 1.00 1.00 O ATOM 418 CB ALA A 29 2.140 -6.585 6.340 1.00 1.00 C ATOM 0 H ALA A 29 2.044 -5.115 4.373 1.00 1.00 H new ATOM 0 HA ALA A 29 3.210 -4.825 6.931 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.414 -7.154 7.229 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.167 -6.118 6.494 1.00 1.00 H new ATOM 0 HB3 ALA A 29 2.089 -7.255 5.482 1.00 1.00 H new ATOM 424 N TYR A 30 4.747 -7.010 4.967 1.00 1.00 N ATOM 425 CA TYR A 30 6.025 -7.677 4.778 1.00 1.00 C ATOM 426 C TYR A 30 6.303 -8.013 3.311 1.00 1.00 C ATOM 427 O TYR A 30 7.179 -8.826 3.017 1.00 1.00 O ATOM 428 CB TYR A 30 6.048 -8.956 5.603 1.00 1.00 C ATOM 429 CG TYR A 30 6.285 -8.723 7.078 1.00 1.00 C ATOM 430 CD1 TYR A 30 5.241 -8.350 7.914 1.00 1.00 C ATOM 431 CD2 TYR A 30 7.549 -8.875 7.634 1.00 1.00 C ATOM 432 CE1 TYR A 30 5.449 -8.135 9.263 1.00 1.00 C ATOM 433 CE2 TYR A 30 7.766 -8.662 8.982 1.00 1.00 C ATOM 434 CZ TYR A 30 6.712 -8.292 9.792 1.00 1.00 C ATOM 435 OH TYR A 30 6.924 -8.080 11.135 1.00 1.00 O ATOM 0 H TYR A 30 4.026 -7.270 4.294 1.00 1.00 H new ATOM 0 HA TYR A 30 6.805 -6.990 5.106 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.100 -9.478 5.474 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.828 -9.612 5.218 1.00 1.00 H new ATOM 0 HD1 TYR A 30 4.250 -8.226 7.503 1.00 1.00 H new ATOM 0 HD2 TYR A 30 8.376 -9.164 7.002 1.00 1.00 H new ATOM 0 HE1 TYR A 30 4.626 -7.845 9.900 1.00 1.00 H new ATOM 0 HE2 TYR A 30 8.755 -8.784 9.399 1.00 1.00 H new ATOM 0 HH TYR A 30 7.869 -8.234 11.345 1.00 1.00 H new ATOM 445 N TYR A 31 5.567 -7.397 2.390 1.00 1.00 N ATOM 446 CA TYR A 31 5.768 -7.661 0.968 1.00 1.00 C ATOM 447 C TYR A 31 6.704 -6.632 0.344 1.00 1.00 C ATOM 448 O TYR A 31 7.606 -6.982 -0.416 1.00 1.00 O ATOM 449 CB TYR A 31 4.434 -7.660 0.223 1.00 1.00 C ATOM 450 CG TYR A 31 3.532 -8.819 0.586 1.00 1.00 C ATOM 451 CD1 TYR A 31 3.130 -9.031 1.898 1.00 1.00 C ATOM 452 CD2 TYR A 31 3.084 -9.703 -0.388 1.00 1.00 C ATOM 453 CE1 TYR A 31 2.306 -10.090 2.230 1.00 1.00 C ATOM 454 CE2 TYR A 31 2.260 -10.764 -0.064 1.00 1.00 C ATOM 455 CZ TYR A 31 1.875 -10.953 1.246 1.00 1.00 C ATOM 456 OH TYR A 31 1.055 -12.009 1.573 1.00 1.00 O ATOM 0 H TYR A 31 4.834 -6.719 2.599 1.00 1.00 H new ATOM 0 HA TYR A 31 6.225 -8.647 0.879 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.912 -6.726 0.432 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.627 -7.684 -0.849 1.00 1.00 H new ATOM 0 HD1 TYR A 31 3.467 -8.357 2.672 1.00 1.00 H new ATOM 0 HD2 TYR A 31 3.385 -9.558 -1.415 1.00 1.00 H new ATOM 0 HE1 TYR A 31 2.002 -10.240 3.255 1.00 1.00 H new ATOM 0 HE2 TYR A 31 1.919 -11.441 -0.833 1.00 1.00 H new ATOM 0 HH TYR A 31 0.842 -12.520 0.764 1.00 1.00 H new ATOM 466 N CYS A 32 6.479 -5.362 0.664 1.00 1.00 N ATOM 467 CA CYS A 32 7.300 -4.281 0.128 1.00 1.00 C ATOM 468 C CYS A 32 8.774 -4.494 0.463 1.00 1.00 C ATOM 469 O CYS A 32 9.264 -4.006 1.481 1.00 1.00 O ATOM 470 CB CYS A 32 6.828 -2.934 0.677 1.00 1.00 C ATOM 471 SG CYS A 32 6.824 -1.591 -0.554 1.00 1.00 S ATOM 0 H CYS A 32 5.735 -5.056 1.291 1.00 1.00 H new ATOM 0 HA CYS A 32 7.192 -4.282 -0.957 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.821 -3.049 1.077 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.470 -2.648 1.510 1.00 1.00 H new ATOM 476 N SER A 33 9.472 -5.224 -0.404 1.00 1.00 N ATOM 477 CA SER A 33 10.894 -5.512 -0.216 1.00 1.00 C ATOM 478 C SER A 33 11.197 -5.934 1.225 1.00 1.00 C ATOM 479 O SER A 33 11.140 -7.119 1.553 1.00 1.00 O ATOM 480 CB SER A 33 11.735 -4.293 -0.605 1.00 1.00 C ATOM 481 OG SER A 33 13.084 -4.454 -0.201 1.00 1.00 O ATOM 0 H SER A 33 9.073 -5.630 -1.250 1.00 1.00 H new ATOM 0 HA SER A 33 11.156 -6.347 -0.866 1.00 1.00 H new ATOM 0 HB2 SER A 33 11.690 -4.146 -1.684 1.00 1.00 H new ATOM 0 HB3 SER A 33 11.318 -3.398 -0.144 1.00 1.00 H new ATOM 0 HG SER A 33 13.600 -3.663 -0.462 1.00 1.00 H new ATOM 487 N HIS A 34 11.518 -4.965 2.080 1.00 1.00 N ATOM 488 CA HIS A 34 11.826 -5.249 3.476 1.00 1.00 C ATOM 489 C HIS A 34 11.557 -4.029 4.350 1.00 1.00 C ATOM 490 O HIS A 34 12.287 -3.040 4.293 1.00 1.00 O ATOM 491 CB HIS A 34 13.286 -5.683 3.620 1.00 1.00 C ATOM 492 CG HIS A 34 13.546 -7.078 3.141 1.00 1.00 C ATOM 493 ND1 HIS A 34 13.829 -7.381 1.826 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.565 -8.255 3.809 1.00 1.00 C ATOM 495 CE1 HIS A 34 14.011 -8.683 1.706 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.856 -9.238 2.895 1.00 1.00 N ATOM 0 H HIS A 34 11.571 -3.978 1.829 1.00 1.00 H new ATOM 0 HA HIS A 34 11.179 -6.061 3.808 1.00 1.00 H new ATOM 0 HB2 HIS A 34 13.918 -4.992 3.062 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.577 -5.607 4.668 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.385 -8.395 4.865 1.00 1.00 H new ATOM 0 HE1 HIS A 34 14.247 -9.206 0.791 1.00 1.00 H new ATOM 0 HE2 HIS A 34 13.939 -10.234 3.100 1.00 1.00 H new ATOM 505 N ARG A 35 10.505 -4.107 5.159 1.00 1.00 N ATOM 506 CA ARG A 35 10.141 -3.007 6.044 1.00 1.00 C ATOM 507 C ARG A 35 9.808 -3.523 7.441 1.00 1.00 C ATOM 508 O ARG A 35 8.707 -4.017 7.685 1.00 1.00 O ATOM 509 CB ARG A 35 8.948 -2.236 5.469 1.00 1.00 C ATOM 510 CG ARG A 35 8.426 -1.140 6.387 1.00 1.00 C ATOM 511 CD ARG A 35 8.303 0.189 5.658 1.00 1.00 C ATOM 512 NE ARG A 35 7.764 1.239 6.519 1.00 1.00 N ATOM 513 CZ ARG A 35 7.345 2.421 6.072 1.00 1.00 C ATOM 514 NH1 ARG A 35 7.402 2.708 4.778 1.00 1.00 N ATOM 515 NH2 ARG A 35 6.868 3.318 6.923 1.00 1.00 N ATOM 0 H ARG A 35 9.891 -4.919 5.220 1.00 1.00 H new ATOM 0 HA ARG A 35 10.995 -2.333 6.120 1.00 1.00 H new ATOM 0 HB2 ARG A 35 9.239 -1.792 4.517 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.140 -2.938 5.260 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.453 -1.430 6.784 1.00 1.00 H new ATOM 0 HG3 ARG A 35 9.097 -1.028 7.239 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.283 0.491 5.288 1.00 1.00 H new ATOM 0 HD3 ARG A 35 7.658 0.067 4.788 1.00 1.00 H new ATOM 0 HE ARG A 35 7.705 1.056 7.521 1.00 1.00 H new ATOM 0 HH11 ARG A 35 7.768 2.021 4.119 1.00 1.00 H new ATOM 0 HH12 ARG A 35 7.079 3.615 4.442 1.00 1.00 H new ATOM 0 HH21 ARG A 35 6.822 3.102 7.919 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.547 4.224 6.582 1.00 1.00 H new ATOM 529 N ILE A 36 10.766 -3.403 8.355 1.00 1.00 N ATOM 530 CA ILE A 36 10.574 -3.857 9.727 1.00 1.00 C ATOM 531 C ILE A 36 10.110 -2.712 10.623 1.00 1.00 C ATOM 532 O ILE A 36 9.508 -2.995 11.680 1.00 1.00 O ATOM 533 CB ILE A 36 11.869 -4.463 10.306 1.00 1.00 C ATOM 534 CG1 ILE A 36 11.617 -5.025 11.706 1.00 1.00 C ATOM 535 CG2 ILE A 36 12.977 -3.420 10.337 1.00 1.00 C ATOM 536 CD1 ILE A 36 12.734 -5.917 12.208 1.00 1.00 C ATOM 537 OXT ILE A 36 10.354 -1.543 10.260 1.00 1.00 O ATOM 0 H ILE A 36 11.682 -2.995 8.170 1.00 1.00 H new ATOM 0 HA ILE A 36 9.804 -4.628 9.702 1.00 1.00 H new ATOM 0 HB ILE A 36 12.187 -5.282 9.661 1.00 1.00 H new ATOM 0 HG12 ILE A 36 11.482 -4.197 12.403 1.00 1.00 H new ATOM 0 HG13 ILE A 36 10.685 -5.591 11.700 1.00 1.00 H new ATOM 0 HG21 ILE A 36 13.883 -3.864 10.748 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.173 -3.067 9.324 1.00 1.00 H new ATOM 0 HG23 ILE A 36 12.669 -2.581 10.961 1.00 1.00 H new ATOM 0 HD11 ILE A 36 12.489 -6.280 13.206 1.00 1.00 H new ATOM 0 HD12 ILE A 36 12.854 -6.764 11.533 1.00 1.00 H new ATOM 0 HD13 ILE A 36 13.664 -5.349 12.247 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.613 -2.244 -2.400 1.00 1.00 ZN