USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 264 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 28 HIS HE2 : A 28 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.129 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -54:sc= 0.0713 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 0.0358 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc= -1.3 F(o=-3.9!,f=-1.3) USER MOD Single : A 14 MET CE :methyl -109:sc= -0.193 (180deg=-1.46!) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00494) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc=-0.00671 (180deg=-0.11) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -0.166 (180deg=-1.62!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.226 -17.250 -11.991 1.00 0.00 N ATOM 2 CA GLY A 1 -15.875 -17.680 -11.679 1.00 0.00 C ATOM 3 C GLY A 1 -14.918 -16.515 -11.519 1.00 0.00 C ATOM 4 O GLY A 1 -14.744 -15.993 -10.418 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.841 -18.083 -12.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.583 -16.645 -11.224 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.223 -16.714 -12.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.887 -18.266 -10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.514 -18.337 -12.471 1.00 0.00 H new ATOM 8 N SER A 2 -14.295 -16.108 -12.620 1.00 0.00 N ATOM 9 CA SER A 2 -13.346 -15.001 -12.597 1.00 0.00 C ATOM 10 C SER A 2 -14.075 -13.661 -12.571 1.00 0.00 C ATOM 11 O SER A 2 -13.841 -12.831 -11.693 1.00 0.00 O ATOM 12 CB SER A 2 -12.421 -15.069 -13.813 1.00 0.00 C ATOM 13 OG SER A 2 -13.164 -15.080 -15.019 1.00 0.00 O ATOM 0 H SER A 2 -14.430 -16.528 -13.539 1.00 0.00 H new ATOM 0 HA SER A 2 -12.748 -15.086 -11.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.744 -14.215 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.804 -15.965 -13.754 1.00 0.00 H new ATOM 0 HG SER A 2 -12.550 -15.122 -15.781 1.00 0.00 H new ATOM 19 N SER A 3 -14.959 -13.457 -13.542 1.00 0.00 N ATOM 20 CA SER A 3 -15.720 -12.217 -13.635 1.00 0.00 C ATOM 21 C SER A 3 -16.377 -11.882 -12.300 1.00 0.00 C ATOM 22 O SER A 3 -16.221 -10.779 -11.778 1.00 0.00 O ATOM 23 CB SER A 3 -16.786 -12.329 -14.727 1.00 0.00 C ATOM 24 OG SER A 3 -16.202 -12.637 -15.981 1.00 0.00 O ATOM 0 H SER A 3 -15.166 -14.135 -14.276 1.00 0.00 H new ATOM 0 HA SER A 3 -15.029 -11.414 -13.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.506 -13.102 -14.458 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.337 -11.391 -14.799 1.00 0.00 H new ATOM 0 HG SER A 3 -16.904 -12.705 -16.661 1.00 0.00 H new ATOM 30 N GLY A 4 -17.114 -12.843 -11.751 1.00 0.00 N ATOM 31 CA GLY A 4 -17.784 -12.632 -10.482 1.00 0.00 C ATOM 32 C GLY A 4 -17.147 -13.416 -9.352 1.00 0.00 C ATOM 33 O GLY A 4 -15.945 -13.308 -9.112 1.00 0.00 O ATOM 0 H GLY A 4 -17.259 -13.765 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.767 -11.570 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.831 -12.921 -10.575 1.00 0.00 H new ATOM 37 N SER A 5 -17.955 -14.208 -8.654 1.00 0.00 N ATOM 38 CA SER A 5 -17.464 -15.010 -7.540 1.00 0.00 C ATOM 39 C SER A 5 -16.634 -14.160 -6.583 1.00 0.00 C ATOM 40 O SER A 5 -15.588 -14.593 -6.099 1.00 0.00 O ATOM 41 CB SER A 5 -16.628 -16.182 -8.056 1.00 0.00 C ATOM 42 OG SER A 5 -16.483 -17.183 -7.063 1.00 0.00 O ATOM 0 H SER A 5 -18.952 -14.311 -8.841 1.00 0.00 H new ATOM 0 HA SER A 5 -18.326 -15.400 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.102 -16.609 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.645 -15.824 -8.362 1.00 0.00 H new ATOM 0 HG SER A 5 -16.120 -16.783 -6.245 1.00 0.00 H new ATOM 48 N SER A 6 -17.107 -12.947 -6.316 1.00 0.00 N ATOM 49 CA SER A 6 -16.407 -12.033 -5.421 1.00 0.00 C ATOM 50 C SER A 6 -14.898 -12.119 -5.628 1.00 0.00 C ATOM 51 O SER A 6 -14.128 -12.132 -4.669 1.00 0.00 O ATOM 52 CB SER A 6 -16.752 -12.349 -3.964 1.00 0.00 C ATOM 53 OG SER A 6 -18.150 -12.269 -3.742 1.00 0.00 O ATOM 0 H SER A 6 -17.972 -12.574 -6.707 1.00 0.00 H new ATOM 0 HA SER A 6 -16.731 -11.018 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.397 -13.348 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.235 -11.651 -3.305 1.00 0.00 H new ATOM 0 HG SER A 6 -18.345 -12.477 -2.804 1.00 0.00 H new ATOM 59 N GLY A 7 -14.483 -12.178 -6.890 1.00 0.00 N ATOM 60 CA GLY A 7 -13.068 -12.263 -7.202 1.00 0.00 C ATOM 61 C GLY A 7 -12.450 -10.904 -7.466 1.00 0.00 C ATOM 62 O GLY A 7 -11.660 -10.743 -8.397 1.00 0.00 O ATOM 0 H GLY A 7 -15.101 -12.168 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.545 -12.742 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.929 -12.898 -8.077 1.00 0.00 H new ATOM 66 N LYS A 8 -12.812 -9.922 -6.648 1.00 0.00 N ATOM 67 CA LYS A 8 -12.289 -8.569 -6.797 1.00 0.00 C ATOM 68 C LYS A 8 -11.737 -8.050 -5.473 1.00 0.00 C ATOM 69 O LYS A 8 -12.449 -7.410 -4.699 1.00 0.00 O ATOM 70 CB LYS A 8 -13.385 -7.630 -7.308 1.00 0.00 C ATOM 71 CG LYS A 8 -13.941 -8.026 -8.665 1.00 0.00 C ATOM 72 CD LYS A 8 -15.055 -7.091 -9.105 1.00 0.00 C ATOM 73 CE LYS A 8 -16.008 -7.776 -10.073 1.00 0.00 C ATOM 74 NZ LYS A 8 -15.554 -7.644 -11.485 1.00 0.00 N ATOM 0 H LYS A 8 -13.466 -10.038 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.476 -8.598 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.199 -7.607 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.985 -6.618 -7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.141 -8.014 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.318 -9.048 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.608 -6.746 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.625 -6.209 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.091 -8.832 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.003 -7.344 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.154 -6.954 -11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.566 -7.319 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.624 -8.567 -11.960 1.00 0.00 H new ATOM 88 N THR A 9 -10.462 -8.328 -5.219 1.00 0.00 N ATOM 89 CA THR A 9 -9.814 -7.889 -3.990 1.00 0.00 C ATOM 90 C THR A 9 -8.563 -7.072 -4.289 1.00 0.00 C ATOM 91 O THR A 9 -7.587 -7.589 -4.834 1.00 0.00 O ATOM 92 CB THR A 9 -9.431 -9.086 -3.099 1.00 0.00 C ATOM 93 OG1 THR A 9 -10.587 -9.887 -2.831 1.00 0.00 O ATOM 94 CG2 THR A 9 -8.822 -8.611 -1.788 1.00 0.00 C ATOM 0 H THR A 9 -9.858 -8.856 -5.849 1.00 0.00 H new ATOM 0 HA THR A 9 -10.533 -7.265 -3.459 1.00 0.00 H new ATOM 0 HB THR A 9 -8.691 -9.684 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.335 -10.647 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.559 -9.473 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.926 -8.026 -1.994 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.544 -7.993 -1.254 1.00 0.00 H new ATOM 102 N HIS A 10 -8.597 -5.793 -3.930 1.00 0.00 N ATOM 103 CA HIS A 10 -7.463 -4.903 -4.159 1.00 0.00 C ATOM 104 C HIS A 10 -6.205 -5.443 -3.487 1.00 0.00 C ATOM 105 O HIS A 10 -6.009 -5.273 -2.283 1.00 0.00 O ATOM 106 CB HIS A 10 -7.774 -3.501 -3.635 1.00 0.00 C ATOM 107 CG HIS A 10 -9.037 -2.919 -4.193 1.00 0.00 C ATOM 108 ND1 HIS A 10 -10.321 -3.031 -3.780 1.00 0.00 N flip ATOM 109 CD2 HIS A 10 -9.064 -2.115 -5.312 1.00 0.00 C flip ATOM 110 CE1 HIS A 10 -11.093 -2.298 -4.647 1.00 0.00 C flip ATOM 111 NE2 HIS A 10 -10.311 -1.755 -5.562 1.00 0.00 N flip ATOM 0 H HIS A 10 -9.397 -5.349 -3.479 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.285 -4.850 -5.233 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.849 -3.537 -2.548 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.942 -2.839 -3.875 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.653 -3.561 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.201 -1.825 -5.893 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.165 -2.184 -4.590 1.00 0.00 H new ATOM 119 N LEU A 11 -5.354 -6.096 -4.272 1.00 0.00 N ATOM 120 CA LEU A 11 -4.114 -6.662 -3.753 1.00 0.00 C ATOM 121 C LEU A 11 -2.932 -5.743 -4.045 1.00 0.00 C ATOM 122 O LEU A 11 -2.907 -5.049 -5.062 1.00 0.00 O ATOM 123 CB LEU A 11 -3.865 -8.041 -4.364 1.00 0.00 C ATOM 124 CG LEU A 11 -2.454 -8.606 -4.195 1.00 0.00 C ATOM 125 CD1 LEU A 11 -2.214 -9.019 -2.751 1.00 0.00 C ATOM 126 CD2 LEU A 11 -2.235 -9.785 -5.132 1.00 0.00 C ATOM 0 H LEU A 11 -5.501 -6.246 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.214 -6.763 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.571 -8.744 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.089 -7.990 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.738 -7.826 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.205 -9.419 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.328 -8.152 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.937 -9.783 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.226 -10.174 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.959 -10.568 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.364 -9.458 -6.164 1.00 0.00 H new ATOM 138 N CYS A 12 -1.953 -5.744 -3.147 1.00 0.00 N ATOM 139 CA CYS A 12 -0.766 -4.912 -3.307 1.00 0.00 C ATOM 140 C CYS A 12 0.368 -5.702 -3.953 1.00 0.00 C ATOM 141 O CYS A 12 0.936 -6.607 -3.341 1.00 0.00 O ATOM 142 CB CYS A 12 -0.314 -4.364 -1.952 1.00 0.00 C ATOM 143 SG CYS A 12 0.775 -2.908 -2.064 1.00 0.00 S ATOM 0 H CYS A 12 -1.958 -6.312 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.023 -4.078 -3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.195 -4.101 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.206 -5.153 -1.409 1.00 0.00 H new ATOM 148 N ASP A 13 0.693 -5.353 -5.193 1.00 0.00 N ATOM 149 CA ASP A 13 1.761 -6.028 -5.922 1.00 0.00 C ATOM 150 C ASP A 13 3.121 -5.438 -5.564 1.00 0.00 C ATOM 151 O ASP A 13 4.010 -5.343 -6.410 1.00 0.00 O ATOM 152 CB ASP A 13 1.525 -5.920 -7.429 1.00 0.00 C ATOM 153 CG ASP A 13 0.112 -6.302 -7.823 1.00 0.00 C ATOM 154 OD1 ASP A 13 -0.800 -5.470 -7.640 1.00 0.00 O ATOM 155 OD2 ASP A 13 -0.082 -7.435 -8.314 1.00 0.00 O ATOM 0 H ASP A 13 0.233 -4.607 -5.714 1.00 0.00 H new ATOM 0 HA ASP A 13 1.755 -7.080 -5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.726 -4.899 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.232 -6.565 -7.952 1.00 0.00 H new ATOM 160 N MET A 14 3.276 -5.041 -4.305 1.00 0.00 N ATOM 161 CA MET A 14 4.528 -4.460 -3.835 1.00 0.00 C ATOM 162 C MET A 14 5.042 -5.199 -2.604 1.00 0.00 C ATOM 163 O MET A 14 6.245 -5.421 -2.458 1.00 0.00 O ATOM 164 CB MET A 14 4.336 -2.977 -3.511 1.00 0.00 C ATOM 165 CG MET A 14 4.100 -2.112 -4.738 1.00 0.00 C ATOM 166 SD MET A 14 4.383 -0.360 -4.418 1.00 0.00 S ATOM 167 CE MET A 14 2.704 0.262 -4.426 1.00 0.00 C ATOM 0 H MET A 14 2.550 -5.111 -3.592 1.00 0.00 H new ATOM 0 HA MET A 14 5.267 -4.558 -4.630 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.490 -2.869 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.217 -2.612 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.758 -2.441 -5.542 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.077 -2.253 -5.086 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.542 0.861 -5.322 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.006 -0.575 -4.418 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.541 0.879 -3.543 1.00 0.00 H new ATOM 177 N CYS A 15 4.125 -5.579 -1.721 1.00 0.00 N ATOM 178 CA CYS A 15 4.486 -6.292 -0.502 1.00 0.00 C ATOM 179 C CYS A 15 3.717 -7.606 -0.393 1.00 0.00 C ATOM 180 O CYS A 15 4.220 -8.589 0.150 1.00 0.00 O ATOM 181 CB CYS A 15 4.207 -5.422 0.725 1.00 0.00 C ATOM 182 SG CYS A 15 2.480 -4.856 0.858 1.00 0.00 S ATOM 0 H CYS A 15 3.126 -5.405 -1.827 1.00 0.00 H new ATOM 0 HA CYS A 15 5.552 -6.517 -0.544 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.464 -5.985 1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.862 -4.551 0.697 1.00 0.00 H new ATOM 187 N GLY A 16 2.493 -7.614 -0.914 1.00 0.00 N ATOM 188 CA GLY A 16 1.675 -8.812 -0.866 1.00 0.00 C ATOM 189 C GLY A 16 0.546 -8.702 0.140 1.00 0.00 C ATOM 190 O GLY A 16 0.252 -9.655 0.862 1.00 0.00 O ATOM 0 H GLY A 16 2.054 -6.813 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.259 -9.004 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.302 -9.667 -0.612 1.00 0.00 H new ATOM 194 N LYS A 17 -0.088 -7.535 0.191 1.00 0.00 N ATOM 195 CA LYS A 17 -1.191 -7.303 1.116 1.00 0.00 C ATOM 196 C LYS A 17 -2.512 -7.167 0.365 1.00 0.00 C ATOM 197 O LYS A 17 -2.593 -6.476 -0.650 1.00 0.00 O ATOM 198 CB LYS A 17 -0.932 -6.042 1.944 1.00 0.00 C ATOM 199 CG LYS A 17 0.098 -6.238 3.044 1.00 0.00 C ATOM 200 CD LYS A 17 -0.034 -5.180 4.126 1.00 0.00 C ATOM 201 CE LYS A 17 -1.011 -5.609 5.209 1.00 0.00 C ATOM 202 NZ LYS A 17 -0.401 -6.590 6.149 1.00 0.00 N ATOM 0 H LYS A 17 0.143 -6.735 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.259 -8.162 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.596 -5.245 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.870 -5.711 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.023 -7.228 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.100 -6.200 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.943 -4.989 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.370 -4.243 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.345 -4.733 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.895 -6.049 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.151 -7.154 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.240 -7.220 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.135 -6.082 6.882 1.00 0.00 H new ATOM 216 N LYS A 18 -3.546 -7.831 0.871 1.00 0.00 N ATOM 217 CA LYS A 18 -4.864 -7.783 0.250 1.00 0.00 C ATOM 218 C LYS A 18 -5.793 -6.848 1.018 1.00 0.00 C ATOM 219 O LYS A 18 -5.856 -6.890 2.247 1.00 0.00 O ATOM 220 CB LYS A 18 -5.473 -9.186 0.189 1.00 0.00 C ATOM 221 CG LYS A 18 -5.166 -9.927 -1.101 1.00 0.00 C ATOM 222 CD LYS A 18 -5.397 -11.421 -0.955 1.00 0.00 C ATOM 223 CE LYS A 18 -5.402 -12.119 -2.306 1.00 0.00 C ATOM 224 NZ LYS A 18 -6.003 -13.479 -2.226 1.00 0.00 N ATOM 0 H LYS A 18 -3.496 -8.409 1.710 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.747 -7.400 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.102 -9.771 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.554 -9.109 0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.793 -9.538 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.131 -9.745 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.618 -11.851 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.347 -11.596 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.960 -11.517 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.381 -12.195 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.988 -13.921 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.456 -14.062 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.986 -13.405 -1.894 1.00 0.00 H new ATOM 238 N PHE A 19 -6.514 -6.005 0.285 1.00 0.00 N ATOM 239 CA PHE A 19 -7.440 -5.060 0.897 1.00 0.00 C ATOM 240 C PHE A 19 -8.823 -5.165 0.262 1.00 0.00 C ATOM 241 O PHE A 19 -8.958 -5.178 -0.962 1.00 0.00 O ATOM 242 CB PHE A 19 -6.910 -3.631 0.758 1.00 0.00 C ATOM 243 CG PHE A 19 -5.544 -3.438 1.353 1.00 0.00 C ATOM 244 CD1 PHE A 19 -4.406 -3.664 0.596 1.00 0.00 C ATOM 245 CD2 PHE A 19 -5.399 -3.030 2.669 1.00 0.00 C ATOM 246 CE1 PHE A 19 -3.148 -3.487 1.140 1.00 0.00 C ATOM 247 CE2 PHE A 19 -4.143 -2.851 3.219 1.00 0.00 C ATOM 248 CZ PHE A 19 -3.016 -3.081 2.454 1.00 0.00 C ATOM 0 H PHE A 19 -6.474 -5.958 -0.733 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.526 -5.307 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.878 -3.365 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.607 -2.945 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.503 -3.982 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.277 -2.850 3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.269 -3.666 0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.043 -2.532 4.246 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.034 -2.944 2.882 1.00 0.00 H new ATOM 258 N LYS A 20 -9.849 -5.240 1.103 1.00 0.00 N ATOM 259 CA LYS A 20 -11.223 -5.344 0.627 1.00 0.00 C ATOM 260 C LYS A 20 -11.577 -4.166 -0.276 1.00 0.00 C ATOM 261 O LYS A 20 -12.157 -4.345 -1.347 1.00 0.00 O ATOM 262 CB LYS A 20 -12.192 -5.402 1.810 1.00 0.00 C ATOM 263 CG LYS A 20 -11.619 -6.099 3.031 1.00 0.00 C ATOM 264 CD LYS A 20 -12.708 -6.764 3.856 1.00 0.00 C ATOM 265 CE LYS A 20 -13.054 -8.142 3.315 1.00 0.00 C ATOM 266 NZ LYS A 20 -11.990 -9.140 3.615 1.00 0.00 N ATOM 0 H LYS A 20 -9.755 -5.231 2.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.311 -6.263 0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.480 -4.387 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.100 -5.919 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.892 -6.847 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.085 -5.375 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.380 -6.851 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.600 -6.137 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.997 -8.476 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.202 -8.082 2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.351 -10.098 3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.164 -8.959 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.711 -9.061 4.614 1.00 0.00 H new ATOM 280 N SER A 21 -11.221 -2.963 0.162 1.00 0.00 N ATOM 281 CA SER A 21 -11.502 -1.755 -0.605 1.00 0.00 C ATOM 282 C SER A 21 -10.220 -1.175 -1.194 1.00 0.00 C ATOM 283 O SER A 21 -9.121 -1.650 -0.910 1.00 0.00 O ATOM 284 CB SER A 21 -12.189 -0.712 0.279 1.00 0.00 C ATOM 285 OG SER A 21 -13.050 0.115 -0.484 1.00 0.00 O ATOM 0 H SER A 21 -10.737 -2.799 1.045 1.00 0.00 H new ATOM 0 HA SER A 21 -12.169 -2.022 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.759 -1.213 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.437 -0.099 0.776 1.00 0.00 H new ATOM 0 HG SER A 21 -13.478 0.772 0.104 1.00 0.00 H new ATOM 291 N LYS A 22 -10.370 -0.143 -2.018 1.00 0.00 N ATOM 292 CA LYS A 22 -9.226 0.506 -2.648 1.00 0.00 C ATOM 293 C LYS A 22 -8.686 1.630 -1.769 1.00 0.00 C ATOM 294 O LYS A 22 -7.495 1.674 -1.463 1.00 0.00 O ATOM 295 CB LYS A 22 -9.619 1.060 -4.019 1.00 0.00 C ATOM 296 CG LYS A 22 -8.433 1.322 -4.932 1.00 0.00 C ATOM 297 CD LYS A 22 -8.849 1.347 -6.393 1.00 0.00 C ATOM 298 CE LYS A 22 -9.395 2.709 -6.794 1.00 0.00 C ATOM 299 NZ LYS A 22 -10.774 2.928 -6.277 1.00 0.00 N ATOM 0 H LYS A 22 -11.273 0.262 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.442 -0.240 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.293 0.356 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.173 1.989 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.972 2.274 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.679 0.550 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.993 1.098 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.607 0.584 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.737 3.490 -6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.397 2.794 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.325 3.468 -6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.232 2.009 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.730 3.459 -5.384 1.00 0.00 H new ATOM 313 N GLY A 23 -9.571 2.537 -1.366 1.00 0.00 N ATOM 314 CA GLY A 23 -9.163 3.647 -0.525 1.00 0.00 C ATOM 315 C GLY A 23 -8.214 3.222 0.578 1.00 0.00 C ATOM 316 O GLY A 23 -7.200 3.877 0.822 1.00 0.00 O ATOM 0 H GLY A 23 -10.562 2.523 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.682 4.407 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.046 4.107 -0.082 1.00 0.00 H new ATOM 320 N THR A 24 -8.543 2.122 1.248 1.00 0.00 N ATOM 321 CA THR A 24 -7.714 1.612 2.333 1.00 0.00 C ATOM 322 C THR A 24 -6.336 1.202 1.826 1.00 0.00 C ATOM 323 O THR A 24 -5.322 1.466 2.473 1.00 0.00 O ATOM 324 CB THR A 24 -8.375 0.404 3.024 1.00 0.00 C ATOM 325 OG1 THR A 24 -9.642 0.785 3.570 1.00 0.00 O ATOM 326 CG2 THR A 24 -7.483 -0.141 4.130 1.00 0.00 C ATOM 0 H THR A 24 -9.378 1.567 1.058 1.00 0.00 H new ATOM 0 HA THR A 24 -7.606 2.421 3.056 1.00 0.00 H new ATOM 0 HB THR A 24 -8.522 -0.378 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.056 0.011 4.006 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.970 -0.993 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.530 -0.457 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.309 0.637 4.874 1.00 0.00 H new ATOM 334 N LEU A 25 -6.306 0.557 0.665 1.00 0.00 N ATOM 335 CA LEU A 25 -5.050 0.112 0.071 1.00 0.00 C ATOM 336 C LEU A 25 -4.197 1.302 -0.357 1.00 0.00 C ATOM 337 O LEU A 25 -2.994 1.341 -0.102 1.00 0.00 O ATOM 338 CB LEU A 25 -5.326 -0.792 -1.133 1.00 0.00 C ATOM 339 CG LEU A 25 -4.194 -0.912 -2.154 1.00 0.00 C ATOM 340 CD1 LEU A 25 -3.026 -1.689 -1.568 1.00 0.00 C ATOM 341 CD2 LEU A 25 -4.695 -1.578 -3.428 1.00 0.00 C ATOM 0 H LEU A 25 -7.136 0.331 0.117 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.500 -0.452 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.565 -1.790 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.213 -0.420 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.847 0.091 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.230 -1.764 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.651 -1.172 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.358 -2.689 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.877 -1.656 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.069 -2.575 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.499 -0.981 -3.859 1.00 0.00 H new ATOM 353 N LYS A 26 -4.830 2.272 -1.008 1.00 0.00 N ATOM 354 CA LYS A 26 -4.131 3.467 -1.469 1.00 0.00 C ATOM 355 C LYS A 26 -3.267 4.054 -0.358 1.00 0.00 C ATOM 356 O LYS A 26 -2.045 4.132 -0.484 1.00 0.00 O ATOM 357 CB LYS A 26 -5.135 4.513 -1.957 1.00 0.00 C ATOM 358 CG LYS A 26 -4.504 5.856 -2.281 1.00 0.00 C ATOM 359 CD LYS A 26 -5.489 6.782 -2.977 1.00 0.00 C ATOM 360 CE LYS A 26 -5.588 6.473 -4.463 1.00 0.00 C ATOM 361 NZ LYS A 26 -6.885 6.926 -5.037 1.00 0.00 N ATOM 0 H LYS A 26 -5.826 2.255 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.482 3.182 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.639 4.134 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.900 4.655 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.150 6.324 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.632 5.705 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.472 6.682 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.177 7.817 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.767 6.959 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.476 5.400 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.914 6.698 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.667 6.443 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.980 7.954 -4.911 1.00 0.00 H new ATOM 375 N SER A 27 -3.910 4.466 0.731 1.00 0.00 N ATOM 376 CA SER A 27 -3.201 5.049 1.863 1.00 0.00 C ATOM 377 C SER A 27 -1.982 4.208 2.232 1.00 0.00 C ATOM 378 O SER A 27 -0.940 4.739 2.618 1.00 0.00 O ATOM 379 CB SER A 27 -4.134 5.170 3.069 1.00 0.00 C ATOM 380 OG SER A 27 -3.440 5.658 4.204 1.00 0.00 O ATOM 0 H SER A 27 -4.921 4.406 0.852 1.00 0.00 H new ATOM 0 HA SER A 27 -2.861 6.044 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.960 5.840 2.828 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.569 4.196 3.296 1.00 0.00 H new ATOM 0 HG SER A 27 -4.059 5.728 4.961 1.00 0.00 H new ATOM 386 N HIS A 28 -2.121 2.891 2.110 1.00 0.00 N ATOM 387 CA HIS A 28 -1.031 1.975 2.430 1.00 0.00 C ATOM 388 C HIS A 28 0.080 2.069 1.389 1.00 0.00 C ATOM 389 O HIS A 28 1.245 2.281 1.726 1.00 0.00 O ATOM 390 CB HIS A 28 -1.551 0.540 2.510 1.00 0.00 C ATOM 391 CG HIS A 28 -0.498 -0.494 2.254 1.00 0.00 C ATOM 392 ND1 HIS A 28 0.404 -0.903 3.213 1.00 0.00 N ATOM 393 CD2 HIS A 28 -0.208 -1.205 1.139 1.00 0.00 C ATOM 394 CE1 HIS A 28 1.205 -1.818 2.699 1.00 0.00 C ATOM 395 NE2 HIS A 28 0.855 -2.020 1.442 1.00 0.00 N ATOM 0 H HIS A 28 -2.976 2.435 1.792 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.622 2.260 3.399 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.980 0.372 3.498 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.356 0.413 1.787 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.446 -0.553 4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.717 -1.143 0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.010 -2.317 3.219 1.00 0.00 H new ATOM 403 N LYS A 29 -0.287 1.908 0.122 1.00 0.00 N ATOM 404 CA LYS A 29 0.677 1.975 -0.969 1.00 0.00 C ATOM 405 C LYS A 29 1.618 3.162 -0.793 1.00 0.00 C ATOM 406 O LYS A 29 2.804 3.082 -1.117 1.00 0.00 O ATOM 407 CB LYS A 29 -0.048 2.080 -2.313 1.00 0.00 C ATOM 408 CG LYS A 29 -0.428 0.735 -2.906 1.00 0.00 C ATOM 409 CD LYS A 29 -0.864 0.868 -4.356 1.00 0.00 C ATOM 410 CE LYS A 29 -2.161 1.653 -4.478 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.663 1.680 -5.879 1.00 0.00 N ATOM 0 H LYS A 29 -1.247 1.730 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 29 1.269 1.060 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.950 2.678 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.589 2.612 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.421 0.055 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.235 0.294 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.081 1.366 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.995 -0.123 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.917 1.209 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.002 2.673 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.548 2.224 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.953 2.127 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.839 0.708 -6.203 1.00 0.00 H new ATOM 425 N LEU A 30 1.083 4.263 -0.276 1.00 0.00 N ATOM 426 CA LEU A 30 1.875 5.468 -0.054 1.00 0.00 C ATOM 427 C LEU A 30 3.147 5.147 0.724 1.00 0.00 C ATOM 428 O LEU A 30 4.210 5.708 0.455 1.00 0.00 O ATOM 429 CB LEU A 30 1.051 6.512 0.701 1.00 0.00 C ATOM 430 CG LEU A 30 -0.167 7.068 -0.038 1.00 0.00 C ATOM 431 CD1 LEU A 30 -1.018 7.913 0.897 1.00 0.00 C ATOM 432 CD2 LEU A 30 0.269 7.883 -1.247 1.00 0.00 C ATOM 0 H LEU A 30 0.104 4.346 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 30 2.158 5.872 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.712 6.070 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.705 7.344 0.960 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.770 6.230 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.880 8.300 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.360 7.300 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.425 8.745 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.611 8.271 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.894 8.714 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.837 7.249 -1.928 1.00 0.00 H new ATOM 444 N LEU A 31 3.032 4.240 1.688 1.00 0.00 N ATOM 445 CA LEU A 31 4.174 3.843 2.505 1.00 0.00 C ATOM 446 C LEU A 31 5.331 3.372 1.630 1.00 0.00 C ATOM 447 O LEU A 31 6.490 3.704 1.884 1.00 0.00 O ATOM 448 CB LEU A 31 3.769 2.732 3.475 1.00 0.00 C ATOM 449 CG LEU A 31 2.748 3.116 4.547 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.949 1.898 4.984 1.00 0.00 C ATOM 451 CD2 LEU A 31 3.442 3.757 5.740 1.00 0.00 C ATOM 0 H LEU A 31 2.160 3.766 1.923 1.00 0.00 H new ATOM 0 HA LEU A 31 4.503 4.713 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.364 1.902 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.667 2.366 3.972 1.00 0.00 H new ATOM 0 HG LEU A 31 2.058 3.844 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.228 2.191 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.421 1.482 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.625 1.147 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.700 4.024 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.155 3.053 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.968 4.655 5.416 1.00 0.00 H new ATOM 463 N HIS A 32 5.010 2.599 0.597 1.00 0.00 N ATOM 464 CA HIS A 32 6.024 2.086 -0.318 1.00 0.00 C ATOM 465 C HIS A 32 6.860 3.223 -0.896 1.00 0.00 C ATOM 466 O HIS A 32 8.090 3.192 -0.845 1.00 0.00 O ATOM 467 CB HIS A 32 5.366 1.295 -1.449 1.00 0.00 C ATOM 468 CG HIS A 32 4.964 -0.093 -1.054 1.00 0.00 C ATOM 469 ND1 HIS A 32 5.830 -1.165 -1.085 1.00 0.00 N ATOM 470 CD2 HIS A 32 3.779 -0.581 -0.617 1.00 0.00 C ATOM 471 CE1 HIS A 32 5.196 -2.253 -0.685 1.00 0.00 C ATOM 472 NE2 HIS A 32 3.950 -1.925 -0.394 1.00 0.00 N ATOM 0 H HIS A 32 4.057 2.314 0.373 1.00 0.00 H new ATOM 0 HA HIS A 32 6.683 1.424 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.485 1.835 -1.794 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.056 1.239 -2.291 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.808 -1.125 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.869 -0.018 -0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.624 -3.242 -0.609 1.00 0.00 H new ATOM 480 N THR A 33 6.185 4.227 -1.447 1.00 0.00 N ATOM 481 CA THR A 33 6.866 5.373 -2.036 1.00 0.00 C ATOM 482 C THR A 33 7.153 6.441 -0.988 1.00 0.00 C ATOM 483 O THR A 33 6.332 6.696 -0.107 1.00 0.00 O ATOM 484 CB THR A 33 6.034 5.996 -3.173 1.00 0.00 C ATOM 485 OG1 THR A 33 6.770 7.056 -3.794 1.00 0.00 O ATOM 486 CG2 THR A 33 4.711 6.532 -2.646 1.00 0.00 C ATOM 0 H THR A 33 5.167 4.269 -1.498 1.00 0.00 H new ATOM 0 HA THR A 33 7.808 5.006 -2.443 1.00 0.00 H new ATOM 0 HB THR A 33 5.826 5.219 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.235 7.446 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.142 6.967 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.140 5.718 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.902 7.296 -1.893 1.00 0.00 H new ATOM 494 N ALA A 34 8.322 7.064 -1.089 1.00 0.00 N ATOM 495 CA ALA A 34 8.716 8.107 -0.150 1.00 0.00 C ATOM 496 C ALA A 34 8.029 9.429 -0.478 1.00 0.00 C ATOM 497 O ALA A 34 8.300 10.040 -1.513 1.00 0.00 O ATOM 498 CB ALA A 34 10.228 8.280 -0.156 1.00 0.00 C ATOM 0 H ALA A 34 9.013 6.865 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 34 8.401 7.801 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.508 9.062 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.703 7.343 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.558 8.559 -1.156 1.00 0.00 H new ATOM 504 N ASP A 35 7.140 9.864 0.408 1.00 0.00 N ATOM 505 CA ASP A 35 6.415 11.114 0.212 1.00 0.00 C ATOM 506 C ASP A 35 7.378 12.261 -0.079 1.00 0.00 C ATOM 507 O ASP A 35 8.023 12.788 0.825 1.00 0.00 O ATOM 508 CB ASP A 35 5.574 11.439 1.447 1.00 0.00 C ATOM 509 CG ASP A 35 4.676 12.642 1.236 1.00 0.00 C ATOM 510 OD1 ASP A 35 5.208 13.765 1.106 1.00 0.00 O ATOM 511 OD2 ASP A 35 3.441 12.461 1.200 1.00 0.00 O ATOM 0 H ASP A 35 6.904 9.370 1.269 1.00 0.00 H new ATOM 0 HA ASP A 35 5.754 10.992 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.963 10.574 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.234 11.626 2.294 1.00 0.00 H new ATOM 516 N GLY A 36 7.469 12.642 -1.350 1.00 0.00 N ATOM 517 CA GLY A 36 8.356 13.723 -1.738 1.00 0.00 C ATOM 518 C GLY A 36 8.495 13.847 -3.243 1.00 0.00 C ATOM 519 O GLY A 36 9.344 13.171 -3.823 1.00 0.00 O ATOM 0 H GLY A 36 6.945 12.221 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.979 14.662 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.339 13.558 -1.298 1.00 0.00 H new TER 523 GLY A 36 HETATM 524 ZN ZN A 181 2.070 -2.777 -0.062 1.00 0.00 ZN