USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 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 Single : A 1 GLY N :NH3+ -115:sc= 0.0779 (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 -170:sc= 0 (180deg=-0.0816) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 20 SER OG : rot 54:sc= 0.0129 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -160:sc= -1.47 USER MOD Single : A 28 GLN : amide:sc= -0.0475 K(o=-0.048,f=-0.95) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.285 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.809 10.432 -0.254 1.00 1.00 N ATOM 2 CA GLY A 1 -10.024 11.309 -1.167 1.00 1.00 C ATOM 3 C GLY A 1 -9.044 12.193 -0.421 1.00 1.00 C ATOM 4 O GLY A 1 -9.071 12.263 0.807 1.00 1.00 O ATOM 0 H1 GLY A 1 -10.569 9.437 -0.437 1.00 1.00 H new ATOM 0 H2 GLY A 1 -10.582 10.667 0.733 1.00 1.00 H new ATOM 0 H3 GLY A 1 -11.825 10.579 -0.420 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -9.480 10.691 -1.881 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -10.707 11.934 -1.742 1.00 1.00 H new ATOM 10 N SER A 2 -8.177 12.871 -1.167 1.00 1.00 N ATOM 11 CA SER A 2 -7.183 13.756 -0.569 1.00 1.00 C ATOM 12 C SER A 2 -6.250 12.980 0.356 1.00 1.00 C ATOM 13 O SER A 2 -6.332 11.757 0.454 1.00 1.00 O ATOM 14 CB SER A 2 -7.873 14.880 0.206 1.00 1.00 C ATOM 15 OG SER A 2 -8.022 16.037 -0.599 1.00 1.00 O ATOM 0 H SER A 2 -8.143 12.825 -2.185 1.00 1.00 H new ATOM 0 HA SER A 2 -6.588 14.191 -1.372 1.00 1.00 H new ATOM 0 HB2 SER A 2 -8.851 14.543 0.548 1.00 1.00 H new ATOM 0 HB3 SER A 2 -7.291 15.124 1.095 1.00 1.00 H new ATOM 0 HG SER A 2 -8.467 16.740 -0.082 1.00 1.00 H new ATOM 21 N LEU A 3 -5.364 13.703 1.033 1.00 1.00 N ATOM 22 CA LEU A 3 -4.414 13.085 1.951 1.00 1.00 C ATOM 23 C LEU A 3 -5.137 12.446 3.132 1.00 1.00 C ATOM 24 O LEU A 3 -6.367 12.379 3.157 1.00 1.00 O ATOM 25 CB LEU A 3 -3.410 14.124 2.453 1.00 1.00 C ATOM 26 CG LEU A 3 -4.019 15.278 3.253 1.00 1.00 C ATOM 27 CD1 LEU A 3 -3.087 15.699 4.380 1.00 1.00 C ATOM 28 CD2 LEU A 3 -4.319 16.457 2.339 1.00 1.00 C ATOM 0 H LEU A 3 -5.284 14.717 0.963 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.879 12.304 1.411 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.670 13.621 3.075 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.878 14.537 1.596 1.00 1.00 H new ATOM 0 HG LEU A 3 -4.955 14.935 3.694 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -3.538 16.520 4.937 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -2.921 14.855 5.049 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -2.134 16.024 3.962 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.752 17.269 2.923 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -3.396 16.798 1.871 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -5.025 16.149 1.568 1.00 1.00 H new ATOM 40 N LEU A 4 -4.367 11.976 4.110 1.00 1.00 N ATOM 41 CA LEU A 4 -4.932 11.341 5.298 1.00 1.00 C ATOM 42 C LEU A 4 -5.532 9.979 4.955 1.00 1.00 C ATOM 43 O LEU A 4 -5.058 8.945 5.426 1.00 1.00 O ATOM 44 CB LEU A 4 -5.999 12.241 5.933 1.00 1.00 C ATOM 45 CG LEU A 4 -5.762 12.584 7.405 1.00 1.00 C ATOM 46 CD1 LEU A 4 -5.578 11.317 8.225 1.00 1.00 C ATOM 47 CD2 LEU A 4 -4.554 13.497 7.551 1.00 1.00 C ATOM 0 H LEU A 4 -3.348 12.023 4.103 1.00 1.00 H new ATOM 0 HA LEU A 4 -4.125 11.192 6.015 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -6.056 13.169 5.364 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.968 11.751 5.841 1.00 1.00 H new ATOM 0 HG LEU A 4 -6.638 13.111 7.782 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -5.411 11.581 9.269 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -6.472 10.699 8.146 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.719 10.762 7.849 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -4.400 13.731 8.604 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.670 12.996 7.157 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -4.726 14.419 6.996 1.00 1.00 H new ATOM 59 N LYS A 5 -6.576 9.985 4.133 1.00 1.00 N ATOM 60 CA LYS A 5 -7.240 8.751 3.728 1.00 1.00 C ATOM 61 C LYS A 5 -6.738 8.283 2.362 1.00 1.00 C ATOM 62 O LYS A 5 -7.050 8.893 1.339 1.00 1.00 O ATOM 63 CB LYS A 5 -8.757 8.956 3.685 1.00 1.00 C ATOM 64 CG LYS A 5 -9.484 8.381 4.889 1.00 1.00 C ATOM 65 CD LYS A 5 -10.972 8.232 4.620 1.00 1.00 C ATOM 66 CE LYS A 5 -11.725 7.816 5.875 1.00 1.00 C ATOM 67 NZ LYS A 5 -13.019 7.155 5.551 1.00 1.00 N ATOM 0 H LYS A 5 -6.981 10.832 3.734 1.00 1.00 H new ATOM 0 HA LYS A 5 -7.004 7.982 4.463 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -8.969 10.023 3.619 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -9.152 8.496 2.779 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -9.060 7.409 5.142 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -9.332 9.030 5.752 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -11.372 9.176 4.250 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -11.129 7.490 3.837 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -11.107 7.136 6.461 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -11.910 8.693 6.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -13.502 6.887 6.432 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -13.620 7.812 5.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -12.841 6.304 4.981 1.00 1.00 H new ATOM 81 N PRO A 6 -5.951 7.192 2.323 1.00 1.00 N ATOM 82 CA PRO A 6 -5.412 6.655 1.068 1.00 1.00 C ATOM 83 C PRO A 6 -6.510 6.336 0.058 1.00 1.00 C ATOM 84 O PRO A 6 -7.073 5.242 0.064 1.00 1.00 O ATOM 85 CB PRO A 6 -4.697 5.370 1.500 1.00 1.00 C ATOM 86 CG PRO A 6 -4.398 5.567 2.945 1.00 1.00 C ATOM 87 CD PRO A 6 -5.523 6.398 3.490 1.00 1.00 C ATOM 0 HA PRO A 6 -4.760 7.372 0.569 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -5.327 4.495 1.342 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -3.784 5.213 0.925 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -4.332 4.611 3.464 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -3.440 6.070 3.080 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -6.333 5.777 3.874 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.193 7.034 4.311 1.00 1.00 H new ATOM 95 N ALA A 7 -6.808 7.299 -0.807 1.00 1.00 N ATOM 96 CA ALA A 7 -7.838 7.121 -1.823 1.00 1.00 C ATOM 97 C ALA A 7 -7.369 6.174 -2.923 1.00 1.00 C ATOM 98 O ALA A 7 -8.078 5.240 -3.296 1.00 1.00 O ATOM 99 CB ALA A 7 -8.233 8.465 -2.415 1.00 1.00 C ATOM 0 H ALA A 7 -6.351 8.211 -0.825 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.710 6.676 -1.345 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.003 8.317 -3.172 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -8.619 9.111 -1.626 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -7.360 8.932 -2.871 1.00 1.00 H new ATOM 105 N ARG A 8 -6.169 6.423 -3.438 1.00 1.00 N ATOM 106 CA ARG A 8 -5.605 5.594 -4.496 1.00 1.00 C ATOM 107 C ARG A 8 -4.934 4.352 -3.916 1.00 1.00 C ATOM 108 O ARG A 8 -4.299 4.413 -2.863 1.00 1.00 O ATOM 109 CB ARG A 8 -4.594 6.396 -5.318 1.00 1.00 C ATOM 110 CG ARG A 8 -4.551 6.000 -6.784 1.00 1.00 C ATOM 111 CD ARG A 8 -3.673 6.943 -7.593 1.00 1.00 C ATOM 112 NE ARG A 8 -2.751 6.219 -8.465 1.00 1.00 N ATOM 113 CZ ARG A 8 -2.119 6.772 -9.499 1.00 1.00 C ATOM 114 NH1 ARG A 8 -2.308 8.053 -9.792 1.00 1.00 N ATOM 115 NH2 ARG A 8 -1.298 6.043 -10.240 1.00 1.00 N ATOM 0 H ARG A 8 -5.569 7.192 -3.140 1.00 1.00 H new ATOM 0 HA ARG A 8 -6.420 5.275 -5.146 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -4.837 7.456 -5.244 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -3.602 6.265 -4.886 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -4.173 4.982 -6.876 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -5.562 6.003 -7.192 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -4.303 7.598 -8.195 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -3.106 7.581 -6.915 1.00 1.00 H new ATOM 0 HE ARG A 8 -2.581 5.232 -8.271 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -2.939 8.618 -9.224 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -1.822 8.472 -10.585 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -1.150 5.058 -10.019 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -0.814 6.466 -11.032 1.00 1.00 H new ATOM 129 N PHE A 9 -5.080 3.228 -4.610 1.00 1.00 N ATOM 130 CA PHE A 9 -4.488 1.971 -4.164 1.00 1.00 C ATOM 131 C PHE A 9 -3.605 1.369 -5.253 1.00 1.00 C ATOM 132 O PHE A 9 -4.088 0.662 -6.137 1.00 1.00 O ATOM 133 CB PHE A 9 -5.582 0.978 -3.770 1.00 1.00 C ATOM 134 CG PHE A 9 -6.712 0.902 -4.758 1.00 1.00 C ATOM 135 CD1 PHE A 9 -7.776 1.786 -4.682 1.00 1.00 C ATOM 136 CD2 PHE A 9 -6.709 -0.052 -5.763 1.00 1.00 C ATOM 137 CE1 PHE A 9 -8.816 1.720 -5.590 1.00 1.00 C ATOM 138 CE2 PHE A 9 -7.746 -0.123 -6.674 1.00 1.00 C ATOM 139 CZ PHE A 9 -8.801 0.764 -6.587 1.00 1.00 C ATOM 0 H PHE A 9 -5.603 3.161 -5.483 1.00 1.00 H new ATOM 0 HA PHE A 9 -3.867 2.180 -3.293 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.140 -0.012 -3.660 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.981 1.258 -2.795 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -7.793 2.535 -3.904 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -5.887 -0.748 -5.835 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -9.640 2.415 -5.520 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -7.731 -0.871 -7.453 1.00 1.00 H new ATOM 0 HZ PHE A 9 -9.613 0.710 -7.297 1.00 1.00 H new ATOM 149 N MET A 10 -2.309 1.656 -5.182 1.00 1.00 N ATOM 150 CA MET A 10 -1.359 1.144 -6.162 1.00 1.00 C ATOM 151 C MET A 10 0.073 1.301 -5.662 1.00 1.00 C ATOM 152 O MET A 10 0.514 2.407 -5.347 1.00 1.00 O ATOM 153 CB MET A 10 -1.531 1.870 -7.499 1.00 1.00 C ATOM 154 CG MET A 10 -2.428 1.132 -8.480 1.00 1.00 C ATOM 155 SD MET A 10 -3.759 2.165 -9.124 1.00 1.00 S ATOM 156 CE MET A 10 -3.033 2.735 -10.660 1.00 1.00 C ATOM 0 H MET A 10 -1.893 2.240 -4.456 1.00 1.00 H new ATOM 0 HA MET A 10 -1.559 0.082 -6.307 1.00 1.00 H new ATOM 0 HB2 MET A 10 -1.946 2.861 -7.314 1.00 1.00 H new ATOM 0 HB3 MET A 10 -0.551 2.015 -7.953 1.00 1.00 H new ATOM 0 HG2 MET A 10 -1.825 0.764 -9.311 1.00 1.00 H new ATOM 0 HG3 MET A 10 -2.857 0.260 -7.987 1.00 1.00 H new ATOM 0 HE1 MET A 10 -3.656 3.520 -11.088 1.00 1.00 H new ATOM 0 HE2 MET A 10 -2.035 3.129 -10.467 1.00 1.00 H new ATOM 0 HE3 MET A 10 -2.965 1.903 -11.361 1.00 1.00 H new ATOM 166 N CYS A 11 0.796 0.189 -5.595 1.00 1.00 N ATOM 167 CA CYS A 11 2.179 0.199 -5.135 1.00 1.00 C ATOM 168 C CYS A 11 3.131 0.500 -6.288 1.00 1.00 C ATOM 169 O CYS A 11 3.627 -0.409 -6.951 1.00 1.00 O ATOM 170 CB CYS A 11 2.536 -1.142 -4.495 1.00 1.00 C ATOM 171 SG CYS A 11 3.850 -1.040 -3.236 1.00 1.00 S ATOM 0 H CYS A 11 0.446 -0.733 -5.854 1.00 1.00 H new ATOM 0 HA CYS A 11 2.283 0.986 -4.388 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.641 -1.564 -4.037 1.00 1.00 H new ATOM 0 HB3 CYS A 11 2.850 -1.833 -5.277 1.00 1.00 H new ATOM 176 N LEU A 12 3.375 1.783 -6.518 1.00 1.00 N ATOM 177 CA LEU A 12 4.263 2.223 -7.590 1.00 1.00 C ATOM 178 C LEU A 12 5.704 1.752 -7.367 1.00 1.00 C ATOM 179 O LEU A 12 6.353 1.278 -8.299 1.00 1.00 O ATOM 180 CB LEU A 12 4.233 3.749 -7.721 1.00 1.00 C ATOM 181 CG LEU A 12 2.879 4.408 -7.448 1.00 1.00 C ATOM 182 CD1 LEU A 12 2.925 5.886 -7.804 1.00 1.00 C ATOM 183 CD2 LEU A 12 1.774 3.705 -8.226 1.00 1.00 C ATOM 0 H LEU A 12 2.968 2.543 -5.973 1.00 1.00 H new ATOM 0 HA LEU A 12 3.900 1.773 -8.514 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.967 4.170 -7.034 1.00 1.00 H new ATOM 0 HB3 LEU A 12 4.551 4.016 -8.729 1.00 1.00 H new ATOM 0 HG LEU A 12 2.661 4.316 -6.384 1.00 1.00 H new ATOM 0 HD11 LEU A 12 1.954 6.339 -7.604 1.00 1.00 H new ATOM 0 HD12 LEU A 12 3.687 6.381 -7.203 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.167 5.998 -8.861 1.00 1.00 H new ATOM 0 HD21 LEU A 12 0.819 4.188 -8.019 1.00 1.00 H new ATOM 0 HD22 LEU A 12 1.986 3.764 -9.293 1.00 1.00 H new ATOM 0 HD23 LEU A 12 1.725 2.659 -7.923 1.00 1.00 H new ATOM 195 N PRO A 13 6.232 1.885 -6.133 1.00 1.00 N ATOM 196 CA PRO A 13 7.604 1.480 -5.808 1.00 1.00 C ATOM 197 C PRO A 13 8.024 0.168 -6.472 1.00 1.00 C ATOM 198 O PRO A 13 9.170 0.021 -6.897 1.00 1.00 O ATOM 199 CB PRO A 13 7.557 1.328 -4.292 1.00 1.00 C ATOM 200 CG PRO A 13 6.573 2.357 -3.854 1.00 1.00 C ATOM 201 CD PRO A 13 5.542 2.451 -4.953 1.00 1.00 C ATOM 0 HA PRO A 13 8.337 2.202 -6.167 1.00 1.00 H new ATOM 0 HB2 PRO A 13 7.242 0.326 -4.001 1.00 1.00 H new ATOM 0 HB3 PRO A 13 8.536 1.497 -3.844 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.109 2.074 -2.909 1.00 1.00 H new ATOM 0 HG3 PRO A 13 7.061 3.319 -3.695 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.642 1.887 -4.707 1.00 1.00 H new ATOM 0 HD3 PRO A 13 5.234 3.482 -5.126 1.00 1.00 H new ATOM 209 N CYS A 14 7.097 -0.779 -6.560 1.00 1.00 N ATOM 210 CA CYS A 14 7.374 -2.062 -7.168 1.00 1.00 C ATOM 211 C CYS A 14 6.533 -2.241 -8.424 1.00 1.00 C ATOM 212 O CYS A 14 6.955 -2.890 -9.383 1.00 1.00 O ATOM 213 CB CYS A 14 7.076 -3.177 -6.173 1.00 1.00 C ATOM 214 SG CYS A 14 5.318 -3.330 -5.722 1.00 1.00 S ATOM 0 H CYS A 14 6.143 -0.675 -6.214 1.00 1.00 H new ATOM 0 HA CYS A 14 8.427 -2.104 -7.446 1.00 1.00 H new ATOM 0 HB2 CYS A 14 7.415 -4.124 -6.594 1.00 1.00 H new ATOM 0 HB3 CYS A 14 7.658 -3.005 -5.267 1.00 1.00 H new ATOM 219 N GLY A 15 5.343 -1.649 -8.414 1.00 1.00 N ATOM 220 CA GLY A 15 4.464 -1.738 -9.550 1.00 1.00 C ATOM 221 C GLY A 15 3.498 -2.905 -9.462 1.00 1.00 C ATOM 222 O GLY A 15 3.579 -3.847 -10.250 1.00 1.00 O ATOM 0 H GLY A 15 4.976 -1.108 -7.631 1.00 1.00 H new ATOM 0 HA2 GLY A 15 3.898 -0.811 -9.638 1.00 1.00 H new ATOM 0 HA3 GLY A 15 5.060 -1.835 -10.457 1.00 1.00 H new ATOM 226 N ILE A 16 2.581 -2.838 -8.503 1.00 1.00 N ATOM 227 CA ILE A 16 1.589 -3.890 -8.313 1.00 1.00 C ATOM 228 C ILE A 16 0.273 -3.313 -7.803 1.00 1.00 C ATOM 229 O ILE A 16 0.158 -2.946 -6.633 1.00 1.00 O ATOM 230 CB ILE A 16 2.084 -4.966 -7.325 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.486 -5.440 -7.709 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.115 -6.139 -7.291 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.081 -6.428 -6.729 1.00 1.00 C ATOM 0 H ILE A 16 2.504 -2.064 -7.843 1.00 1.00 H new ATOM 0 HA ILE A 16 1.430 -4.353 -9.287 1.00 1.00 H new ATOM 0 HB ILE A 16 2.131 -4.527 -6.328 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.447 -5.899 -8.697 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.145 -4.575 -7.785 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.478 -6.890 -6.589 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.132 -5.790 -6.973 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.040 -6.578 -8.286 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.076 -6.720 -7.066 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.152 -5.966 -5.744 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.444 -7.311 -6.670 1.00 1.00 H new ATOM 245 N ALA A 17 -0.715 -3.231 -8.687 1.00 1.00 N ATOM 246 CA ALA A 17 -2.022 -2.694 -8.325 1.00 1.00 C ATOM 247 C ALA A 17 -2.907 -3.771 -7.708 1.00 1.00 C ATOM 248 O ALA A 17 -3.341 -4.699 -8.390 1.00 1.00 O ATOM 249 CB ALA A 17 -2.698 -2.088 -9.546 1.00 1.00 C ATOM 0 H ALA A 17 -0.636 -3.529 -9.659 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.873 -1.913 -7.579 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -3.673 -1.691 -9.263 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.079 -1.283 -9.942 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.827 -2.856 -10.309 1.00 1.00 H new ATOM 255 N PHE A 18 -3.170 -3.640 -6.412 1.00 1.00 N ATOM 256 CA PHE A 18 -3.997 -4.594 -5.697 1.00 1.00 C ATOM 257 C PHE A 18 -5.464 -4.176 -5.736 1.00 1.00 C ATOM 258 O PHE A 18 -5.780 -2.986 -5.701 1.00 1.00 O ATOM 259 CB PHE A 18 -3.518 -4.695 -4.254 1.00 1.00 C ATOM 260 CG PHE A 18 -2.487 -5.764 -4.032 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.846 -7.101 -4.000 1.00 1.00 C ATOM 262 CD2 PHE A 18 -1.154 -5.427 -3.858 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.895 -8.084 -3.797 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.199 -6.404 -3.655 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.569 -7.734 -3.625 1.00 1.00 C ATOM 0 H PHE A 18 -2.818 -2.876 -5.836 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.910 -5.568 -6.179 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.103 -3.734 -3.951 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.375 -4.890 -3.609 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.881 -7.379 -4.135 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -0.859 -4.388 -3.881 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -2.188 -9.123 -3.773 1.00 1.00 H new ATOM 0 HE2 PHE A 18 0.836 -6.128 -3.520 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.176 -8.499 -3.467 1.00 1.00 H new ATOM 275 N SER A 19 -6.355 -5.158 -5.815 1.00 1.00 N ATOM 276 CA SER A 19 -7.789 -4.892 -5.866 1.00 1.00 C ATOM 277 C SER A 19 -8.395 -4.741 -4.468 1.00 1.00 C ATOM 278 O SER A 19 -9.561 -5.073 -4.257 1.00 1.00 O ATOM 279 CB SER A 19 -8.506 -6.013 -6.619 1.00 1.00 C ATOM 280 OG SER A 19 -7.851 -7.256 -6.431 1.00 1.00 O ATOM 0 H SER A 19 -6.109 -6.148 -5.845 1.00 1.00 H new ATOM 0 HA SER A 19 -7.925 -3.947 -6.393 1.00 1.00 H new ATOM 0 HB2 SER A 19 -9.537 -6.086 -6.273 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.543 -5.775 -7.682 1.00 1.00 H new ATOM 0 HG SER A 19 -8.331 -7.956 -6.921 1.00 1.00 H new ATOM 286 N SER A 20 -7.611 -4.241 -3.516 1.00 1.00 N ATOM 287 CA SER A 20 -8.100 -4.057 -2.154 1.00 1.00 C ATOM 288 C SER A 20 -7.173 -3.152 -1.345 1.00 1.00 C ATOM 289 O SER A 20 -5.955 -3.189 -1.514 1.00 1.00 O ATOM 290 CB SER A 20 -8.250 -5.412 -1.458 1.00 1.00 C ATOM 291 OG SER A 20 -9.614 -5.714 -1.219 1.00 1.00 O ATOM 0 H SER A 20 -6.642 -3.958 -3.662 1.00 1.00 H new ATOM 0 HA SER A 20 -9.075 -3.573 -2.213 1.00 1.00 H new ATOM 0 HB2 SER A 20 -7.804 -6.192 -2.075 1.00 1.00 H new ATOM 0 HB3 SER A 20 -7.706 -5.402 -0.514 1.00 1.00 H new ATOM 0 HG SER A 20 -10.116 -5.647 -2.058 1.00 1.00 H new ATOM 297 N PRO A 21 -7.742 -2.325 -0.446 1.00 1.00 N ATOM 298 CA PRO A 21 -6.961 -1.412 0.395 1.00 1.00 C ATOM 299 C PRO A 21 -6.236 -2.143 1.519 1.00 1.00 C ATOM 300 O PRO A 21 -5.053 -1.906 1.765 1.00 1.00 O ATOM 301 CB PRO A 21 -8.020 -0.468 0.963 1.00 1.00 C ATOM 302 CG PRO A 21 -9.270 -1.277 0.993 1.00 1.00 C ATOM 303 CD PRO A 21 -9.190 -2.221 -0.178 1.00 1.00 C ATOM 0 HA PRO A 21 -6.176 -0.905 -0.166 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -7.748 -0.122 1.960 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.137 0.418 0.339 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -9.355 -1.827 1.930 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.149 -0.637 0.917 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.624 -3.192 0.060 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.730 -1.834 -1.042 1.00 1.00 H new ATOM 311 N SER A 22 -6.949 -3.039 2.196 1.00 1.00 N ATOM 312 CA SER A 22 -6.364 -3.810 3.286 1.00 1.00 C ATOM 313 C SER A 22 -5.220 -4.671 2.767 1.00 1.00 C ATOM 314 O SER A 22 -4.244 -4.917 3.475 1.00 1.00 O ATOM 315 CB SER A 22 -7.425 -4.690 3.949 1.00 1.00 C ATOM 316 OG SER A 22 -8.489 -3.907 4.461 1.00 1.00 O ATOM 0 H SER A 22 -7.930 -3.248 2.009 1.00 1.00 H new ATOM 0 HA SER A 22 -5.974 -3.115 4.030 1.00 1.00 H new ATOM 0 HB2 SER A 22 -7.812 -5.406 3.225 1.00 1.00 H new ATOM 0 HB3 SER A 22 -6.972 -5.266 4.756 1.00 1.00 H new ATOM 0 HG SER A 22 -9.155 -4.493 4.878 1.00 1.00 H new ATOM 322 N THR A 23 -5.343 -5.115 1.520 1.00 1.00 N ATOM 323 CA THR A 23 -4.312 -5.937 0.903 1.00 1.00 C ATOM 324 C THR A 23 -3.028 -5.137 0.750 1.00 1.00 C ATOM 325 O THR A 23 -1.929 -5.673 0.886 1.00 1.00 O ATOM 326 CB THR A 23 -4.779 -6.453 -0.458 1.00 1.00 C ATOM 327 OG1 THR A 23 -6.108 -6.940 -0.382 1.00 1.00 O ATOM 328 CG2 THR A 23 -3.913 -7.568 -1.004 1.00 1.00 C ATOM 0 H THR A 23 -6.144 -4.919 0.920 1.00 1.00 H new ATOM 0 HA THR A 23 -4.119 -6.794 1.548 1.00 1.00 H new ATOM 0 HB THR A 23 -4.710 -5.598 -1.130 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.281 -7.539 -1.138 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.299 -7.888 -1.972 1.00 1.00 H new ATOM 0 HG22 THR A 23 -2.890 -7.210 -1.122 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.925 -8.410 -0.312 1.00 1.00 H new ATOM 336 N LEU A 24 -3.177 -3.842 0.488 1.00 1.00 N ATOM 337 CA LEU A 24 -2.033 -2.961 0.341 1.00 1.00 C ATOM 338 C LEU A 24 -1.229 -2.955 1.625 1.00 1.00 C ATOM 339 O LEU A 24 -0.002 -3.055 1.613 1.00 1.00 O ATOM 340 CB LEU A 24 -2.486 -1.538 0.009 1.00 1.00 C ATOM 341 CG LEU A 24 -3.719 -1.429 -0.886 1.00 1.00 C ATOM 342 CD1 LEU A 24 -4.045 0.030 -1.169 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.504 -2.189 -2.184 1.00 1.00 C ATOM 0 H LEU A 24 -4.081 -3.383 0.374 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.414 -3.327 -0.478 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.690 -1.014 0.943 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.660 -1.017 -0.476 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.565 -1.875 -0.363 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.926 0.089 -1.808 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.243 0.547 -0.230 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.200 0.501 -1.672 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.393 -2.100 -2.809 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.646 -1.772 -2.712 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.319 -3.240 -1.964 1.00 1.00 H new ATOM 355 N GLU A 25 -1.942 -2.855 2.736 1.00 1.00 N ATOM 356 CA GLU A 25 -1.312 -2.854 4.045 1.00 1.00 C ATOM 357 C GLU A 25 -0.649 -4.199 4.306 1.00 1.00 C ATOM 358 O GLU A 25 0.351 -4.284 5.018 1.00 1.00 O ATOM 359 CB GLU A 25 -2.346 -2.545 5.131 1.00 1.00 C ATOM 360 CG GLU A 25 -1.788 -1.735 6.289 1.00 1.00 C ATOM 361 CD GLU A 25 -2.748 -0.664 6.768 1.00 1.00 C ATOM 362 OE1 GLU A 25 -3.955 -0.959 6.890 1.00 1.00 O ATOM 363 OE2 GLU A 25 -2.292 0.472 7.020 1.00 1.00 O ATOM 0 H GLU A 25 -2.959 -2.773 2.756 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.547 -2.078 4.068 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.178 -2.000 4.685 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -2.749 -3.482 5.515 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.554 -2.405 7.117 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -0.852 -1.268 5.983 1.00 1.00 H new ATOM 370 N ALA A 26 -1.206 -5.243 3.706 1.00 1.00 N ATOM 371 CA ALA A 26 -0.672 -6.578 3.849 1.00 1.00 C ATOM 372 C ALA A 26 0.585 -6.730 3.009 1.00 1.00 C ATOM 373 O ALA A 26 1.534 -7.412 3.395 1.00 1.00 O ATOM 374 CB ALA A 26 -1.711 -7.617 3.457 1.00 1.00 C ATOM 0 H ALA A 26 -2.034 -5.183 3.113 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.413 -6.740 4.895 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.289 -8.615 3.572 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.586 -7.517 4.099 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -2.004 -7.464 2.418 1.00 1.00 H new ATOM 380 N HIS A 27 0.581 -6.068 1.859 1.00 1.00 N ATOM 381 CA HIS A 27 1.713 -6.093 0.948 1.00 1.00 C ATOM 382 C HIS A 27 2.830 -5.230 1.506 1.00 1.00 C ATOM 383 O HIS A 27 3.977 -5.664 1.619 1.00 1.00 O ATOM 384 CB HIS A 27 1.272 -5.584 -0.427 1.00 1.00 C ATOM 385 CG HIS A 27 2.391 -5.354 -1.392 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.006 -6.352 -2.114 1.00 1.00 N ATOM 387 CD2 HIS A 27 2.993 -4.197 -1.764 1.00 1.00 C ATOM 388 CE1 HIS A 27 3.943 -5.783 -2.885 1.00 1.00 C ATOM 389 NE2 HIS A 27 3.973 -4.476 -2.709 1.00 1.00 N ATOM 0 H HIS A 27 -0.203 -5.502 1.535 1.00 1.00 H new ATOM 0 HA HIS A 27 2.081 -7.113 0.841 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.577 -6.303 -0.861 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.724 -4.651 -0.296 1.00 1.00 H new ATOM 0 HD1 HIS A 27 2.787 -7.347 -2.070 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.750 -3.215 -1.386 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.589 -6.323 -3.561 1.00 1.00 H new ATOM 397 N GLN A 28 2.473 -4.011 1.875 1.00 1.00 N ATOM 398 CA GLN A 28 3.423 -3.075 2.452 1.00 1.00 C ATOM 399 C GLN A 28 3.869 -3.547 3.837 1.00 1.00 C ATOM 400 O GLN A 28 4.838 -3.030 4.395 1.00 1.00 O ATOM 401 CB GLN A 28 2.792 -1.683 2.551 1.00 1.00 C ATOM 402 CG GLN A 28 3.444 -0.654 1.645 1.00 1.00 C ATOM 403 CD GLN A 28 4.662 -0.008 2.278 1.00 1.00 C ATOM 404 OE1 GLN A 28 5.083 -0.388 3.371 1.00 1.00 O ATOM 405 NE2 GLN A 28 5.233 0.975 1.592 1.00 1.00 N ATOM 0 H GLN A 28 1.525 -3.645 1.784 1.00 1.00 H new ATOM 0 HA GLN A 28 4.298 -3.025 1.804 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.733 -1.755 2.302 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.854 -1.338 3.583 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.735 -1.132 0.710 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.716 0.118 1.395 1.00 1.00 H new ATOM 0 HE21 GLN A 28 4.850 1.257 0.690 1.00 1.00 H new ATOM 0 HE22 GLN A 28 6.055 1.448 1.967 1.00 1.00 H new ATOM 414 N ALA A 29 3.149 -4.523 4.391 1.00 1.00 N ATOM 415 CA ALA A 29 3.464 -5.052 5.712 1.00 1.00 C ATOM 416 C ALA A 29 4.671 -5.986 5.682 1.00 1.00 C ATOM 417 O ALA A 29 5.629 -5.792 6.431 1.00 1.00 O ATOM 418 CB ALA A 29 2.256 -5.774 6.289 1.00 1.00 C ATOM 0 H ALA A 29 2.344 -4.961 3.943 1.00 1.00 H new ATOM 0 HA ALA A 29 3.721 -4.207 6.351 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.503 -6.165 7.276 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.422 -5.078 6.373 1.00 1.00 H new ATOM 0 HB3 ALA A 29 1.976 -6.598 5.632 1.00 1.00 H new ATOM 424 N TYR A 30 4.620 -7.011 4.834 1.00 1.00 N ATOM 425 CA TYR A 30 5.717 -7.972 4.753 1.00 1.00 C ATOM 426 C TYR A 30 6.048 -8.374 3.314 1.00 1.00 C ATOM 427 O TYR A 30 6.858 -9.274 3.098 1.00 1.00 O ATOM 428 CB TYR A 30 5.376 -9.221 5.565 1.00 1.00 C ATOM 429 CG TYR A 30 5.799 -9.136 7.015 1.00 1.00 C ATOM 430 CD1 TYR A 30 5.114 -8.328 7.913 1.00 1.00 C ATOM 431 CD2 TYR A 30 6.886 -9.864 7.483 1.00 1.00 C ATOM 432 CE1 TYR A 30 5.499 -8.247 9.238 1.00 1.00 C ATOM 433 CE2 TYR A 30 7.277 -9.789 8.807 1.00 1.00 C ATOM 434 CZ TYR A 30 6.581 -8.980 9.679 1.00 1.00 C ATOM 435 OH TYR A 30 6.967 -8.903 10.998 1.00 1.00 O ATOM 0 H TYR A 30 3.842 -7.196 4.201 1.00 1.00 H new ATOM 0 HA TYR A 30 6.599 -7.481 5.164 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.300 -9.392 5.519 1.00 1.00 H new ATOM 0 HB3 TYR A 30 5.856 -10.085 5.105 1.00 1.00 H new ATOM 0 HD1 TYR A 30 4.266 -7.753 7.570 1.00 1.00 H new ATOM 0 HD2 TYR A 30 7.434 -10.498 6.802 1.00 1.00 H new ATOM 0 HE1 TYR A 30 4.956 -7.614 9.924 1.00 1.00 H new ATOM 0 HE2 TYR A 30 8.124 -10.362 9.156 1.00 1.00 H new ATOM 0 HH TYR A 30 7.745 -9.481 11.146 1.00 1.00 H new ATOM 445 N TYR A 31 5.433 -7.720 2.333 1.00 1.00 N ATOM 446 CA TYR A 31 5.700 -8.051 0.937 1.00 1.00 C ATOM 447 C TYR A 31 6.778 -7.145 0.351 1.00 1.00 C ATOM 448 O TYR A 31 7.904 -7.582 0.112 1.00 1.00 O ATOM 449 CB TYR A 31 4.419 -7.948 0.113 1.00 1.00 C ATOM 450 CG TYR A 31 4.199 -9.120 -0.814 1.00 1.00 C ATOM 451 CD1 TYR A 31 3.563 -10.272 -0.368 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.627 -9.078 -2.136 1.00 1.00 C ATOM 453 CE1 TYR A 31 3.359 -11.347 -1.211 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.426 -10.150 -2.985 1.00 1.00 C ATOM 455 CZ TYR A 31 3.793 -11.282 -2.518 1.00 1.00 C ATOM 456 OH TYR A 31 3.591 -12.351 -3.361 1.00 1.00 O ATOM 0 H TYR A 31 4.757 -6.970 2.475 1.00 1.00 H new ATOM 0 HA TYR A 31 6.064 -9.078 0.899 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.568 -7.866 0.789 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.448 -7.031 -0.475 1.00 1.00 H new ATOM 0 HD1 TYR A 31 3.222 -10.328 0.655 1.00 1.00 H new ATOM 0 HD2 TYR A 31 5.125 -8.194 -2.506 1.00 1.00 H new ATOM 0 HE1 TYR A 31 2.862 -12.234 -0.848 1.00 1.00 H new ATOM 0 HE2 TYR A 31 4.763 -10.101 -4.010 1.00 1.00 H new ATOM 0 HH TYR A 31 3.955 -12.143 -4.247 1.00 1.00 H new ATOM 466 N CYS A 32 6.433 -5.883 0.122 1.00 1.00 N ATOM 467 CA CYS A 32 7.381 -4.925 -0.436 1.00 1.00 C ATOM 468 C CYS A 32 8.584 -4.751 0.486 1.00 1.00 C ATOM 469 O CYS A 32 8.442 -4.333 1.635 1.00 1.00 O ATOM 470 CB CYS A 32 6.701 -3.574 -0.671 1.00 1.00 C ATOM 471 SG CYS A 32 7.032 -2.852 -2.312 1.00 1.00 S ATOM 0 H CYS A 32 5.507 -5.500 0.313 1.00 1.00 H new ATOM 0 HA CYS A 32 7.731 -5.315 -1.392 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.625 -3.695 -0.549 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.032 -2.874 0.096 1.00 1.00 H new ATOM 476 N SER A 33 9.768 -5.075 -0.028 1.00 1.00 N ATOM 477 CA SER A 33 11.005 -4.958 0.743 1.00 1.00 C ATOM 478 C SER A 33 10.839 -5.526 2.151 1.00 1.00 C ATOM 479 O SER A 33 9.853 -6.202 2.447 1.00 1.00 O ATOM 480 CB SER A 33 11.442 -3.493 0.821 1.00 1.00 C ATOM 481 OG SER A 33 12.815 -3.388 1.156 1.00 1.00 O ATOM 0 H SER A 33 9.898 -5.422 -0.978 1.00 1.00 H new ATOM 0 HA SER A 33 11.773 -5.538 0.231 1.00 1.00 H new ATOM 0 HB2 SER A 33 11.259 -3.004 -0.136 1.00 1.00 H new ATOM 0 HB3 SER A 33 10.842 -2.970 1.566 1.00 1.00 H new ATOM 0 HG SER A 33 13.070 -2.443 1.198 1.00 1.00 H new ATOM 487 N HIS A 34 11.810 -5.249 3.015 1.00 1.00 N ATOM 488 CA HIS A 34 11.772 -5.732 4.391 1.00 1.00 C ATOM 489 C HIS A 34 11.741 -4.568 5.375 1.00 1.00 C ATOM 490 O HIS A 34 12.781 -4.126 5.863 1.00 1.00 O ATOM 491 CB HIS A 34 12.984 -6.622 4.674 1.00 1.00 C ATOM 492 CG HIS A 34 13.158 -7.730 3.682 1.00 1.00 C ATOM 493 ND1 HIS A 34 14.146 -7.729 2.719 1.00 1.00 N ATOM 494 CD2 HIS A 34 12.465 -8.879 3.506 1.00 1.00 C ATOM 495 CE1 HIS A 34 14.052 -8.829 1.994 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.041 -9.544 2.451 1.00 1.00 N ATOM 0 H HIS A 34 12.634 -4.692 2.787 1.00 1.00 H new ATOM 0 HA HIS A 34 10.862 -6.317 4.520 1.00 1.00 H new ATOM 0 HB2 HIS A 34 13.883 -6.006 4.680 1.00 1.00 H new ATOM 0 HB3 HIS A 34 12.885 -7.051 5.671 1.00 1.00 H new ATOM 0 HD2 HIS A 34 11.617 -9.211 4.087 1.00 1.00 H new ATOM 0 HE1 HIS A 34 14.693 -9.098 1.168 1.00 1.00 H new ATOM 0 HE2 HIS A 34 12.737 -10.444 2.081 1.00 1.00 H new ATOM 505 N ARG A 35 10.541 -4.074 5.661 1.00 1.00 N ATOM 506 CA ARG A 35 10.374 -2.959 6.587 1.00 1.00 C ATOM 507 C ARG A 35 10.370 -3.448 8.032 1.00 1.00 C ATOM 508 O ARG A 35 9.994 -4.586 8.312 1.00 1.00 O ATOM 509 CB ARG A 35 9.075 -2.209 6.287 1.00 1.00 C ATOM 510 CG ARG A 35 9.032 -0.808 6.875 1.00 1.00 C ATOM 511 CD ARG A 35 7.760 -0.077 6.479 1.00 1.00 C ATOM 512 NE ARG A 35 7.228 0.730 7.575 1.00 1.00 N ATOM 513 CZ ARG A 35 5.976 1.178 7.626 1.00 1.00 C ATOM 514 NH1 ARG A 35 5.124 0.901 6.646 1.00 1.00 N ATOM 515 NH2 ARG A 35 5.574 1.905 8.659 1.00 1.00 N ATOM 0 H ARG A 35 9.670 -4.428 5.265 1.00 1.00 H new ATOM 0 HA ARG A 35 11.216 -2.280 6.454 1.00 1.00 H new ATOM 0 HB2 ARG A 35 8.943 -2.145 5.207 1.00 1.00 H new ATOM 0 HB3 ARG A 35 8.235 -2.784 6.677 1.00 1.00 H new ATOM 0 HG2 ARG A 35 9.096 -0.866 7.962 1.00 1.00 H new ATOM 0 HG3 ARG A 35 9.899 -0.242 6.534 1.00 1.00 H new ATOM 0 HD2 ARG A 35 7.963 0.565 5.622 1.00 1.00 H new ATOM 0 HD3 ARG A 35 7.009 -0.801 6.164 1.00 1.00 H new ATOM 0 HE ARG A 35 7.853 0.964 8.346 1.00 1.00 H new ATOM 0 HH11 ARG A 35 5.428 0.342 5.849 1.00 1.00 H new ATOM 0 HH12 ARG A 35 4.166 1.247 6.690 1.00 1.00 H new ATOM 0 HH21 ARG A 35 6.224 2.121 9.415 1.00 1.00 H new ATOM 0 HH22 ARG A 35 4.614 2.249 8.698 1.00 1.00 H new ATOM 529 N ILE A 36 10.790 -2.579 8.947 1.00 1.00 N ATOM 530 CA ILE A 36 10.835 -2.922 10.363 1.00 1.00 C ATOM 531 C ILE A 36 10.770 -1.670 11.232 1.00 1.00 C ATOM 532 O ILE A 36 9.884 -1.607 12.111 1.00 1.00 O ATOM 533 CB ILE A 36 12.113 -3.715 10.708 1.00 1.00 C ATOM 534 CG1 ILE A 36 12.088 -4.156 12.173 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.352 -2.881 10.419 1.00 1.00 C ATOM 536 CD1 ILE A 36 12.792 -5.473 12.420 1.00 1.00 C ATOM 537 OXT ILE A 36 11.605 -0.765 11.028 1.00 1.00 O ATOM 0 H ILE A 36 11.104 -1.633 8.732 1.00 1.00 H new ATOM 0 HA ILE A 36 9.966 -3.547 10.568 1.00 1.00 H new ATOM 0 HB ILE A 36 12.148 -4.606 10.082 1.00 1.00 H new ATOM 0 HG12 ILE A 36 12.554 -3.384 12.785 1.00 1.00 H new ATOM 0 HG13 ILE A 36 11.052 -4.240 12.501 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.244 -3.456 10.668 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.374 -2.617 9.362 1.00 1.00 H new ATOM 0 HG23 ILE A 36 13.327 -1.972 11.020 1.00 1.00 H new ATOM 0 HD11 ILE A 36 12.735 -5.723 13.479 1.00 1.00 H new ATOM 0 HD12 ILE A 36 12.312 -6.258 11.835 1.00 1.00 H new ATOM 0 HD13 ILE A 36 13.837 -5.388 12.123 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.052 -2.981 -3.468 1.00 1.00 ZN