USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 275 hydrogens (7 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 22 DNP H2 : A 22 DNP N : A 21 MET C :(H bumps) USER MOD Set 1.1: A 16 GLN : amide:sc= -0.384 K(o=-1.5,f=-2.3) USER MOD Set 1.2: A 20 SER OG : rot -100:sc= -1.14 USER MOD Single : A 1 ARG N :NH3+ -109:sc= 0.278 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -47:sc= 0.0474 USER MOD Single : A 9 LYS NZ :NH3+ 142:sc= -0.0856 (180deg=-0.797) USER MOD Single : A 10 SER OG : rot 180:sc= -0.915 USER MOD Single : A 13 THR OG1 : rot -146:sc= 1.19 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -0.099 X(o=-0.099,f=-0.56) USER MOD Single : A 21 MET CE :methyl 180:sc= -0.738 (180deg=-0.738) USER MOD Single : A 22 DNP NG :NH3+ -171:sc= 0 (180deg=-0.0464) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.233 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 34 THR OG1 : rot -160:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.415 14.906 0.581 1.00 1.00 N ATOM 2 CA ARG A 1 0.607 15.016 -0.675 1.00 1.00 C ATOM 3 C ARG A 1 -0.823 14.616 -0.291 1.00 1.00 C ATOM 4 O ARG A 1 -1.058 14.295 0.857 1.00 1.00 O ATOM 5 CB ARG A 1 1.150 14.037 -1.772 1.00 1.00 C ATOM 6 CG ARG A 1 2.425 14.560 -2.523 1.00 1.00 C ATOM 7 CD ARG A 1 2.029 15.439 -3.766 1.00 1.00 C ATOM 8 NE ARG A 1 3.273 15.769 -4.549 1.00 1.00 N ATOM 9 CZ ARG A 1 3.572 16.997 -4.867 1.00 1.00 C ATOM 10 NH1 ARG A 1 4.262 17.685 -4.012 1.00 1.00 N ATOM 11 NH2 ARG A 1 3.163 17.450 -6.015 1.00 1.00 N ATOM 0 H1 ARG A 1 1.670 15.858 0.915 1.00 1.00 H new ATOM 0 H2 ARG A 1 0.856 14.421 1.312 1.00 1.00 H new ATOM 0 H3 ARG A 1 2.281 14.363 0.390 1.00 1.00 H new ATOM 0 HA ARG A 1 0.656 16.025 -1.085 1.00 1.00 H new ATOM 0 HB2 ARG A 1 1.383 13.080 -1.306 1.00 1.00 H new ATOM 0 HB3 ARG A 1 0.362 13.853 -2.502 1.00 1.00 H new ATOM 0 HG2 ARG A 1 3.038 15.147 -1.839 1.00 1.00 H new ATOM 0 HG3 ARG A 1 3.031 13.715 -2.850 1.00 1.00 H new ATOM 0 HD2 ARG A 1 1.319 14.903 -4.396 1.00 1.00 H new ATOM 0 HD3 ARG A 1 1.536 16.354 -3.438 1.00 1.00 H new ATOM 0 HE ARG A 1 3.896 15.014 -4.837 1.00 1.00 H new ATOM 0 HH11 ARG A 1 4.549 17.261 -3.130 1.00 1.00 H new ATOM 0 HH12 ARG A 1 4.517 18.650 -4.221 1.00 1.00 H new ATOM 0 HH21 ARG A 1 2.624 16.848 -6.638 1.00 1.00 H new ATOM 0 HH22 ARG A 1 3.381 18.407 -6.293 1.00 1.00 H new ATOM 27 N SER A 2 -1.716 14.647 -1.243 1.00 1.00 N ATOM 28 CA SER A 2 -3.140 14.275 -0.988 1.00 1.00 C ATOM 29 C SER A 2 -3.338 13.007 -1.820 1.00 1.00 C ATOM 30 O SER A 2 -3.712 13.087 -2.974 1.00 1.00 O ATOM 31 CB SER A 2 -4.086 15.388 -1.491 1.00 1.00 C ATOM 32 OG SER A 2 -3.555 16.593 -0.940 1.00 1.00 O ATOM 0 H SER A 2 -1.516 14.920 -2.205 1.00 1.00 H new ATOM 0 HA SER A 2 -3.355 14.132 0.071 1.00 1.00 H new ATOM 0 HB2 SER A 2 -4.108 15.427 -2.580 1.00 1.00 H new ATOM 0 HB3 SER A 2 -5.110 15.218 -1.158 1.00 1.00 H new ATOM 0 HG SER A 2 -4.108 17.352 -1.220 1.00 1.00 H new ATOM 38 N CYS A 3 -3.072 11.871 -1.239 1.00 1.00 N ATOM 39 CA CYS A 3 -3.226 10.595 -1.945 1.00 1.00 C ATOM 40 C CYS A 3 -4.066 9.782 -0.970 1.00 1.00 C ATOM 41 O CYS A 3 -4.125 10.089 0.203 1.00 1.00 O ATOM 42 CB CYS A 3 -1.828 10.025 -2.146 1.00 1.00 C ATOM 43 SG CYS A 3 -0.883 9.598 -0.662 1.00 1.00 S ATOM 0 H CYS A 3 -2.746 11.785 -0.276 1.00 1.00 H new ATOM 0 HA CYS A 3 -3.694 10.633 -2.929 1.00 1.00 H new ATOM 0 HB2 CYS A 3 -1.915 9.129 -2.760 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -1.248 10.749 -2.718 1.00 1.00 H new ATOM 48 N ILE A 4 -4.690 8.781 -1.493 1.00 1.00 N ATOM 49 CA ILE A 4 -5.553 7.873 -0.702 1.00 1.00 C ATOM 50 C ILE A 4 -5.349 6.414 -1.132 1.00 1.00 C ATOM 51 O ILE A 4 -4.846 6.142 -2.208 1.00 1.00 O ATOM 52 CB ILE A 4 -7.035 8.347 -0.914 1.00 1.00 C ATOM 53 CG1 ILE A 4 -7.371 8.600 -2.431 1.00 1.00 C ATOM 54 CG2 ILE A 4 -7.320 9.639 -0.115 1.00 1.00 C ATOM 55 CD1 ILE A 4 -7.743 7.270 -3.136 1.00 1.00 C ATOM 0 H ILE A 4 -4.636 8.541 -2.483 1.00 1.00 H new ATOM 0 HA ILE A 4 -5.298 7.913 0.357 1.00 1.00 H new ATOM 0 HB ILE A 4 -7.670 7.539 -0.551 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -8.198 9.305 -2.513 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -6.514 9.054 -2.928 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -8.353 9.947 -0.278 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -7.160 9.453 0.947 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -6.648 10.429 -0.450 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -7.972 7.465 -4.184 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -6.904 6.577 -3.071 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.615 6.832 -2.650 1.00 1.00 H new ATOM 67 N ASP A 5 -5.741 5.551 -0.246 1.00 1.00 N ATOM 68 CA ASP A 5 -5.669 4.078 -0.436 1.00 1.00 C ATOM 69 C ASP A 5 -6.926 3.770 -1.258 1.00 1.00 C ATOM 70 O ASP A 5 -7.914 4.481 -1.202 1.00 1.00 O ATOM 71 CB ASP A 5 -5.797 3.316 0.904 1.00 1.00 C ATOM 72 CG ASP A 5 -5.444 4.221 2.064 1.00 1.00 C ATOM 73 OD1 ASP A 5 -4.273 4.536 2.126 1.00 1.00 O ATOM 74 OD2 ASP A 5 -6.340 4.546 2.813 1.00 1.00 O ATOM 0 H ASP A 5 -6.132 5.824 0.656 1.00 1.00 H new ATOM 0 HA ASP A 5 -4.724 3.783 -0.891 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -6.815 2.944 1.022 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -5.139 2.447 0.899 1.00 1.00 H new ATOM 79 N THR A 6 -6.859 2.712 -2.005 1.00 1.00 N ATOM 80 CA THR A 6 -8.029 2.311 -2.846 1.00 1.00 C ATOM 81 C THR A 6 -7.927 0.781 -2.976 1.00 1.00 C ATOM 82 O THR A 6 -8.339 0.163 -3.939 1.00 1.00 O ATOM 83 CB THR A 6 -7.858 3.136 -4.165 1.00 1.00 C ATOM 84 OG1 THR A 6 -9.004 2.930 -4.979 1.00 1.00 O ATOM 85 CG2 THR A 6 -6.684 2.635 -5.021 1.00 1.00 C ATOM 0 H THR A 6 -6.045 2.101 -2.075 1.00 1.00 H new ATOM 0 HA THR A 6 -9.029 2.519 -2.465 1.00 1.00 H new ATOM 0 HB THR A 6 -7.700 4.172 -3.867 1.00 1.00 H new ATOM 0 HG1 THR A 6 -9.205 1.972 -5.024 1.00 1.00 H new ATOM 0 HG21 THR A 6 -6.608 3.240 -5.924 1.00 1.00 H new ATOM 0 HG22 THR A 6 -5.758 2.715 -4.451 1.00 1.00 H new ATOM 0 HG23 THR A 6 -6.852 1.593 -5.295 1.00 1.00 H new ATOM 93 N ILE A 7 -7.363 0.212 -1.947 1.00 1.00 N ATOM 94 CA ILE A 7 -7.163 -1.264 -1.883 1.00 1.00 C ATOM 95 C ILE A 7 -7.577 -1.695 -0.467 1.00 1.00 C ATOM 96 O ILE A 7 -7.559 -0.873 0.425 1.00 1.00 O ATOM 97 CB ILE A 7 -5.672 -1.459 -2.205 1.00 1.00 C ATOM 98 CG1 ILE A 7 -5.213 -2.915 -2.280 1.00 1.00 C ATOM 99 CG2 ILE A 7 -4.822 -0.817 -1.108 1.00 1.00 C ATOM 100 CD1 ILE A 7 -5.715 -3.598 -3.577 1.00 1.00 C ATOM 0 H ILE A 7 -7.025 0.719 -1.129 1.00 1.00 H new ATOM 0 HA ILE A 7 -7.749 -1.868 -2.576 1.00 1.00 H new ATOM 0 HB ILE A 7 -5.545 -1.005 -3.188 1.00 1.00 H new ATOM 0 HG12 ILE A 7 -4.125 -2.958 -2.242 1.00 1.00 H new ATOM 0 HG13 ILE A 7 -5.584 -3.461 -1.412 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -3.766 -0.956 -1.338 1.00 1.00 H new ATOM 0 HG22 ILE A 7 -5.044 0.249 -1.053 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -5.050 -1.285 -0.150 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -5.372 -4.632 -3.600 1.00 1.00 H new ATOM 0 HD12 ILE A 7 -6.805 -3.577 -3.601 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -5.322 -3.066 -4.444 1.00 1.00 H new ATOM 112 N PRO A 8 -7.940 -2.939 -0.256 1.00 1.00 N ATOM 113 CA PRO A 8 -7.903 -3.594 1.077 1.00 1.00 C ATOM 114 C PRO A 8 -6.493 -3.664 1.638 1.00 1.00 C ATOM 115 O PRO A 8 -5.588 -4.148 0.982 1.00 1.00 O ATOM 116 CB PRO A 8 -8.527 -4.989 0.873 1.00 1.00 C ATOM 117 CG PRO A 8 -8.054 -5.266 -0.563 1.00 1.00 C ATOM 118 CD PRO A 8 -8.449 -3.950 -1.229 1.00 1.00 C ATOM 0 HA PRO A 8 -8.462 -3.022 1.817 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -8.154 -5.724 1.587 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -9.613 -4.980 0.963 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -6.982 -5.457 -0.620 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -8.555 -6.126 -1.008 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -7.990 -3.837 -2.211 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -9.527 -3.873 -1.370 1.00 1.00 H new ATOM 126 N LYS A 9 -6.337 -3.185 2.849 1.00 1.00 N ATOM 127 CA LYS A 9 -5.000 -3.205 3.517 1.00 1.00 C ATOM 128 C LYS A 9 -4.514 -4.629 3.449 1.00 1.00 C ATOM 129 O LYS A 9 -3.348 -4.927 3.397 1.00 1.00 O ATOM 130 CB LYS A 9 -5.145 -2.785 4.982 1.00 1.00 C ATOM 131 CG LYS A 9 -3.745 -2.730 5.645 1.00 1.00 C ATOM 132 CD LYS A 9 -3.292 -4.056 6.315 1.00 1.00 C ATOM 133 CE LYS A 9 -1.828 -3.845 6.781 1.00 1.00 C ATOM 134 NZ LYS A 9 -1.767 -2.699 7.747 1.00 1.00 N ATOM 0 H LYS A 9 -7.087 -2.777 3.407 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.305 -2.519 3.032 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -5.628 -1.810 5.046 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.783 -3.492 5.513 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -3.011 -2.451 4.889 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -3.745 -1.940 6.396 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -3.935 -4.302 7.160 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -3.358 -4.887 5.612 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.452 -4.752 7.254 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.188 -3.644 5.922 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.081 -2.914 8.498 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.472 -1.837 7.245 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -2.706 -2.550 8.168 1.00 1.00 H new ATOM 148 N SER A 10 -5.482 -5.476 3.462 1.00 1.00 N ATOM 149 CA SER A 10 -5.318 -6.940 3.408 1.00 1.00 C ATOM 150 C SER A 10 -4.332 -7.312 2.310 1.00 1.00 C ATOM 151 O SER A 10 -3.537 -8.220 2.462 1.00 1.00 O ATOM 152 CB SER A 10 -6.688 -7.576 3.125 1.00 1.00 C ATOM 153 OG SER A 10 -7.619 -6.581 3.549 1.00 1.00 O ATOM 0 H SER A 10 -6.459 -5.187 3.512 1.00 1.00 H new ATOM 0 HA SER A 10 -4.930 -7.306 4.358 1.00 1.00 H new ATOM 0 HB2 SER A 10 -6.809 -7.812 2.068 1.00 1.00 H new ATOM 0 HB3 SER A 10 -6.819 -8.507 3.677 1.00 1.00 H new ATOM 0 HG SER A 10 -8.533 -6.904 3.402 1.00 1.00 H new ATOM 159 N ARG A 11 -4.394 -6.586 1.222 1.00 1.00 N ATOM 160 CA ARG A 11 -3.466 -6.906 0.116 1.00 1.00 C ATOM 161 C ARG A 11 -2.129 -6.323 0.517 1.00 1.00 C ATOM 162 O ARG A 11 -1.111 -6.865 0.158 1.00 1.00 O ATOM 163 CB ARG A 11 -3.988 -6.248 -1.154 1.00 1.00 C ATOM 164 CG ARG A 11 -3.376 -6.915 -2.388 1.00 1.00 C ATOM 165 CD ARG A 11 -3.863 -8.367 -2.484 1.00 1.00 C ATOM 166 NE ARG A 11 -3.187 -8.981 -3.674 1.00 1.00 N ATOM 167 CZ ARG A 11 -3.854 -9.623 -4.578 1.00 1.00 C ATOM 168 NH1 ARG A 11 -4.510 -8.919 -5.451 1.00 1.00 N ATOM 169 NH2 ARG A 11 -3.817 -10.918 -4.538 1.00 1.00 N ATOM 0 H ARG A 11 -5.032 -5.807 1.061 1.00 1.00 H new ATOM 0 HA ARG A 11 -3.376 -7.976 -0.069 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -5.075 -6.325 -1.192 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -3.744 -5.186 -1.148 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -3.657 -6.367 -3.287 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -2.288 -6.889 -2.326 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -3.617 -8.917 -1.575 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -4.947 -8.403 -2.595 1.00 1.00 H new ATOM 0 HE ARG A 11 -2.176 -8.890 -3.773 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -4.486 -7.900 -5.407 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -5.049 -9.385 -6.181 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -3.277 -11.391 -3.813 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -4.328 -11.464 -5.231 1.00 1.00 H new ATOM 183 N CYS A 12 -2.164 -5.260 1.263 1.00 1.00 N ATOM 184 CA CYS A 12 -0.888 -4.626 1.714 1.00 1.00 C ATOM 185 C CYS A 12 -0.654 -5.096 3.142 1.00 1.00 C ATOM 186 O CYS A 12 -0.276 -4.363 4.040 1.00 1.00 O ATOM 187 CB CYS A 12 -1.005 -3.102 1.669 1.00 1.00 C ATOM 188 SG CYS A 12 -0.209 -2.376 0.227 1.00 1.00 S ATOM 0 H CYS A 12 -3.016 -4.799 1.582 1.00 1.00 H new ATOM 0 HA CYS A 12 -0.059 -4.907 1.065 1.00 1.00 H new ATOM 0 HB2 CYS A 12 -2.059 -2.824 1.673 1.00 1.00 H new ATOM 0 HB3 CYS A 12 -0.561 -2.682 2.572 1.00 1.00 H new ATOM 193 N THR A 13 -0.912 -6.369 3.293 1.00 1.00 N ATOM 194 CA THR A 13 -0.723 -6.988 4.631 1.00 1.00 C ATOM 195 C THR A 13 0.755 -6.831 4.960 1.00 1.00 C ATOM 196 O THR A 13 1.545 -6.480 4.106 1.00 1.00 O ATOM 197 CB THR A 13 -1.162 -8.486 4.579 1.00 1.00 C ATOM 198 OG1 THR A 13 -0.640 -9.071 5.767 1.00 1.00 O ATOM 199 CG2 THR A 13 -0.586 -9.245 3.386 1.00 1.00 C ATOM 0 H THR A 13 -1.240 -6.996 2.558 1.00 1.00 H new ATOM 0 HA THR A 13 -1.329 -6.515 5.404 1.00 1.00 H new ATOM 0 HB THR A 13 -2.247 -8.540 4.487 1.00 1.00 H new ATOM 0 HG1 THR A 13 -0.384 -10.000 5.589 1.00 1.00 H new ATOM 0 HG21 THR A 13 -0.931 -10.279 3.411 1.00 1.00 H new ATOM 0 HG22 THR A 13 -0.918 -8.774 2.461 1.00 1.00 H new ATOM 0 HG23 THR A 13 0.503 -9.225 3.433 1.00 1.00 H new ATOM 207 N ALA A 14 1.109 -7.112 6.172 1.00 1.00 N ATOM 208 CA ALA A 14 2.539 -6.964 6.558 1.00 1.00 C ATOM 209 C ALA A 14 3.428 -7.772 5.635 1.00 1.00 C ATOM 210 O ALA A 14 4.606 -7.512 5.511 1.00 1.00 O ATOM 211 CB ALA A 14 2.718 -7.438 8.011 1.00 1.00 C ATOM 0 H ALA A 14 0.483 -7.435 6.910 1.00 1.00 H new ATOM 0 HA ALA A 14 2.826 -5.916 6.474 1.00 1.00 H new ATOM 0 HB1 ALA A 14 3.763 -7.333 8.302 1.00 1.00 H new ATOM 0 HB2 ALA A 14 2.095 -6.833 8.670 1.00 1.00 H new ATOM 0 HB3 ALA A 14 2.422 -8.484 8.091 1.00 1.00 H new ATOM 217 N PHE A 15 2.830 -8.726 4.987 1.00 1.00 N ATOM 218 CA PHE A 15 3.627 -9.588 4.063 1.00 1.00 C ATOM 219 C PHE A 15 3.791 -8.957 2.681 1.00 1.00 C ATOM 220 O PHE A 15 4.755 -9.247 1.997 1.00 1.00 O ATOM 221 CB PHE A 15 2.932 -10.976 3.906 1.00 1.00 C ATOM 222 CG PHE A 15 2.034 -11.320 5.116 1.00 1.00 C ATOM 223 CD1 PHE A 15 2.473 -11.117 6.416 1.00 1.00 C ATOM 224 CD2 PHE A 15 0.766 -11.841 4.915 1.00 1.00 C ATOM 225 CE1 PHE A 15 1.658 -11.423 7.485 1.00 1.00 C ATOM 226 CE2 PHE A 15 -0.049 -12.147 5.987 1.00 1.00 C ATOM 227 CZ PHE A 15 0.399 -11.938 7.273 1.00 1.00 C ATOM 0 H PHE A 15 1.837 -8.949 5.052 1.00 1.00 H new ATOM 0 HA PHE A 15 4.618 -9.702 4.502 1.00 1.00 H new ATOM 0 HB2 PHE A 15 2.330 -10.978 2.997 1.00 1.00 H new ATOM 0 HB3 PHE A 15 3.691 -11.749 3.788 1.00 1.00 H new ATOM 0 HD1 PHE A 15 3.460 -10.716 6.592 1.00 1.00 H new ATOM 0 HD2 PHE A 15 0.411 -12.010 3.909 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.009 -11.258 8.493 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -1.037 -12.550 5.817 1.00 1.00 H new ATOM 0 HZ PHE A 15 -0.236 -12.178 8.113 1.00 1.00 H new ATOM 237 N GLN A 16 2.873 -8.099 2.308 1.00 1.00 N ATOM 238 CA GLN A 16 2.979 -7.463 0.946 1.00 1.00 C ATOM 239 C GLN A 16 3.492 -6.051 1.083 1.00 1.00 C ATOM 240 O GLN A 16 4.113 -5.506 0.197 1.00 1.00 O ATOM 241 CB GLN A 16 1.615 -7.479 0.318 1.00 1.00 C ATOM 242 CG GLN A 16 1.026 -8.867 0.500 1.00 1.00 C ATOM 243 CD GLN A 16 0.868 -9.589 -0.817 1.00 1.00 C ATOM 244 OE1 GLN A 16 -0.155 -9.588 -1.470 1.00 1.00 O ATOM 245 NE2 GLN A 16 1.890 -10.236 -1.257 1.00 1.00 N ATOM 0 H GLN A 16 2.070 -7.813 2.869 1.00 1.00 H new ATOM 0 HA GLN A 16 3.677 -8.013 0.316 1.00 1.00 H new ATOM 0 HB2 GLN A 16 0.974 -6.730 0.782 1.00 1.00 H new ATOM 0 HB3 GLN A 16 1.681 -7.230 -0.741 1.00 1.00 H new ATOM 0 HG2 GLN A 16 1.669 -9.451 1.159 1.00 1.00 H new ATOM 0 HG3 GLN A 16 0.055 -8.788 0.989 1.00 1.00 H new ATOM 0 HE21 GLN A 16 2.757 -10.246 -0.720 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.833 -10.738 -2.143 1.00 1.00 H new ATOM 254 N CYS A 17 3.211 -5.449 2.192 1.00 1.00 N ATOM 255 CA CYS A 17 3.722 -4.055 2.372 1.00 1.00 C ATOM 256 C CYS A 17 5.275 -4.178 2.205 1.00 1.00 C ATOM 257 O CYS A 17 5.954 -3.296 1.716 1.00 1.00 O ATOM 258 CB CYS A 17 3.329 -3.572 3.774 1.00 1.00 C ATOM 259 SG CYS A 17 3.285 -1.778 4.017 1.00 1.00 S ATOM 0 H CYS A 17 2.669 -5.836 2.965 1.00 1.00 H new ATOM 0 HA CYS A 17 3.315 -3.335 1.661 1.00 1.00 H new ATOM 0 HB2 CYS A 17 2.344 -3.974 4.012 1.00 1.00 H new ATOM 0 HB3 CYS A 17 4.029 -3.998 4.492 1.00 1.00 H new ATOM 264 N LYS A 18 5.822 -5.298 2.596 1.00 1.00 N ATOM 265 CA LYS A 18 7.301 -5.490 2.467 1.00 1.00 C ATOM 266 C LYS A 18 7.697 -6.031 1.079 1.00 1.00 C ATOM 267 O LYS A 18 8.615 -5.511 0.473 1.00 1.00 O ATOM 268 CB LYS A 18 7.806 -6.473 3.553 1.00 1.00 C ATOM 269 CG LYS A 18 9.358 -6.441 3.474 1.00 1.00 C ATOM 270 CD LYS A 18 10.007 -7.265 4.584 1.00 1.00 C ATOM 271 CE LYS A 18 11.532 -7.059 4.437 1.00 1.00 C ATOM 272 NZ LYS A 18 12.276 -7.786 5.502 1.00 1.00 N ATOM 0 H LYS A 18 5.314 -6.086 2.998 1.00 1.00 H new ATOM 0 HA LYS A 18 7.764 -4.512 2.596 1.00 1.00 H new ATOM 0 HB2 LYS A 18 7.460 -6.173 4.542 1.00 1.00 H new ATOM 0 HB3 LYS A 18 7.427 -7.479 3.375 1.00 1.00 H new ATOM 0 HG2 LYS A 18 9.679 -6.823 2.505 1.00 1.00 H new ATOM 0 HG3 LYS A 18 9.703 -5.409 3.540 1.00 1.00 H new ATOM 0 HD2 LYS A 18 9.662 -6.937 5.565 1.00 1.00 H new ATOM 0 HD3 LYS A 18 9.746 -8.319 4.490 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.857 -7.410 3.458 1.00 1.00 H new ATOM 0 HE3 LYS A 18 11.765 -5.995 4.488 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 13.297 -7.631 5.380 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 11.981 -7.432 6.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 12.070 -8.803 5.437 1.00 1.00 H new ATOM 286 N HIS A 19 7.013 -7.043 0.607 1.00 1.00 N ATOM 287 CA HIS A 19 7.374 -7.610 -0.741 1.00 1.00 C ATOM 288 C HIS A 19 6.402 -7.282 -1.882 1.00 1.00 C ATOM 289 O HIS A 19 6.487 -7.886 -2.932 1.00 1.00 O ATOM 290 CB HIS A 19 7.486 -9.138 -0.573 1.00 1.00 C ATOM 291 CG HIS A 19 8.517 -9.441 0.504 1.00 1.00 C ATOM 292 ND1 HIS A 19 9.789 -9.460 0.247 1.00 1.00 N ATOM 293 CD2 HIS A 19 8.285 -9.711 1.828 1.00 1.00 C ATOM 294 CE1 HIS A 19 10.278 -9.742 1.421 1.00 1.00 C ATOM 295 NE2 HIS A 19 9.438 -9.905 2.415 1.00 1.00 N ATOM 0 H HIS A 19 6.233 -7.498 1.082 1.00 1.00 H new ATOM 0 HA HIS A 19 8.310 -7.141 -1.045 1.00 1.00 H new ATOM 0 HB2 HIS A 19 6.519 -9.559 -0.298 1.00 1.00 H new ATOM 0 HB3 HIS A 19 7.779 -9.600 -1.516 1.00 1.00 H new ATOM 0 HD1 HIS A 19 10.274 -9.298 -0.635 1.00 1.00 H new ATOM 0 HD2 HIS A 19 7.317 -9.756 2.304 1.00 1.00 H new ATOM 0 HE1 HIS A 19 11.343 -9.839 1.571 1.00 1.00 H new ATOM 303 N SER A 20 5.515 -6.352 -1.691 1.00 1.00 N ATOM 304 CA SER A 20 4.546 -6.004 -2.783 1.00 1.00 C ATOM 305 C SER A 20 4.440 -4.501 -3.041 1.00 1.00 C ATOM 306 O SER A 20 3.483 -3.845 -2.655 1.00 1.00 O ATOM 307 CB SER A 20 3.172 -6.525 -2.424 1.00 1.00 C ATOM 308 OG SER A 20 3.391 -7.872 -2.021 1.00 1.00 O ATOM 0 H SER A 20 5.412 -5.814 -0.831 1.00 1.00 H new ATOM 0 HA SER A 20 4.925 -6.469 -3.693 1.00 1.00 H new ATOM 0 HB2 SER A 20 2.724 -5.939 -1.621 1.00 1.00 H new ATOM 0 HB3 SER A 20 2.493 -6.472 -3.275 1.00 1.00 H new ATOM 0 HG SER A 20 3.163 -8.475 -2.759 1.00 1.00 H new ATOM 314 N MET A 21 5.422 -3.980 -3.714 1.00 1.00 N ATOM 315 CA MET A 21 5.415 -2.518 -4.021 1.00 1.00 C ATOM 316 C MET A 21 4.152 -2.230 -4.821 1.00 1.00 C ATOM 317 O MET A 21 3.602 -1.155 -4.723 1.00 1.00 O ATOM 318 CB MET A 21 6.682 -2.190 -4.842 1.00 1.00 C ATOM 319 CG MET A 21 7.031 -0.697 -4.772 1.00 1.00 C ATOM 320 SD MET A 21 7.630 -0.101 -3.170 1.00 1.00 S ATOM 321 CE MET A 21 6.188 0.841 -2.622 1.00 1.00 C ATOM 0 H MET A 21 6.228 -4.496 -4.066 1.00 1.00 H new ATOM 0 HA MET A 21 5.420 -1.906 -3.119 1.00 1.00 H new ATOM 0 HB2 MET A 21 7.520 -2.778 -4.468 1.00 1.00 H new ATOM 0 HB3 MET A 21 6.528 -2.480 -5.881 1.00 1.00 H new ATOM 0 HG2 MET A 21 7.791 -0.485 -5.524 1.00 1.00 H new ATOM 0 HG3 MET A 21 6.145 -0.123 -5.044 1.00 1.00 H new ATOM 0 HE1 MET A 21 6.389 1.278 -1.644 1.00 1.00 H new ATOM 0 HE2 MET A 21 5.978 1.635 -3.339 1.00 1.00 H new ATOM 0 HE3 MET A 21 5.325 0.178 -2.552 1.00 1.00 H new HETATM 331 N DNP A 22 3.700 -3.204 -5.567 1.00 1.00 N HETATM 332 CA DNP A 22 2.464 -2.961 -6.376 1.00 1.00 C HETATM 333 CB DNP A 22 2.068 -4.211 -7.149 1.00 1.00 C HETATM 334 NG DNP A 22 3.231 -4.713 -7.951 1.00 1.00 N HETATM 335 C DNP A 22 1.271 -2.562 -5.515 1.00 1.00 C HETATM 336 O DNP A 22 0.352 -2.007 -6.075 1.00 1.00 O HETATM 0 HG3 DNP A 22 2.918 -5.456 -8.576 1.00 1.00 H new HETATM 0 HG2 DNP A 22 3.621 -3.948 -8.501 1.00 1.00 H new HETATM 0 HG1 DNP A 22 3.946 -5.078 -7.322 1.00 1.00 H new HETATM 0 HB3 DNP A 22 1.733 -4.984 -6.458 1.00 1.00 H new HETATM 0 HB2 DNP A 22 1.230 -3.989 -7.810 1.00 1.00 H new HETATM 0 HA DNP A 22 2.710 -2.143 -7.053 1.00 1.00 H new HETATM 0 H DNP A 22 4.153 -4.118 -5.590 1.00 1.00 H new ATOM 344 N TYR A 23 1.273 -2.836 -4.235 1.00 1.00 N ATOM 345 CA TYR A 23 0.089 -2.414 -3.442 1.00 1.00 C ATOM 346 C TYR A 23 0.562 -1.228 -2.598 1.00 1.00 C ATOM 347 O TYR A 23 0.015 -0.145 -2.699 1.00 1.00 O ATOM 348 CB TYR A 23 -0.386 -3.568 -2.520 1.00 1.00 C ATOM 349 CG TYR A 23 -0.579 -4.871 -3.302 1.00 1.00 C ATOM 350 CD1 TYR A 23 -1.274 -4.919 -4.494 1.00 1.00 C ATOM 351 CD2 TYR A 23 -0.046 -6.034 -2.796 1.00 1.00 C ATOM 352 CE1 TYR A 23 -1.435 -6.114 -5.166 1.00 1.00 C ATOM 353 CE2 TYR A 23 -0.207 -7.222 -3.466 1.00 1.00 C ATOM 354 CZ TYR A 23 -0.900 -7.273 -4.647 1.00 1.00 C ATOM 355 OH TYR A 23 -1.065 -8.487 -5.270 1.00 1.00 O ATOM 0 H TYR A 23 2.014 -3.315 -3.724 1.00 1.00 H new ATOM 0 HA TYR A 23 -0.750 -2.149 -4.085 1.00 1.00 H new ATOM 0 HB2 TYR A 23 0.344 -3.724 -1.726 1.00 1.00 H new ATOM 0 HB3 TYR A 23 -1.324 -3.289 -2.040 1.00 1.00 H new ATOM 0 HD1 TYR A 23 -1.696 -4.013 -4.904 1.00 1.00 H new ATOM 0 HD2 TYR A 23 0.503 -6.013 -1.866 1.00 1.00 H new ATOM 0 HE1 TYR A 23 -1.980 -6.141 -6.098 1.00 1.00 H new ATOM 0 HE2 TYR A 23 0.218 -8.127 -3.057 1.00 1.00 H new ATOM 0 HH TYR A 23 -0.613 -9.185 -4.751 1.00 1.00 H new ATOM 365 N ARG A 24 1.586 -1.471 -1.815 1.00 1.00 N ATOM 366 CA ARG A 24 2.185 -0.463 -0.917 1.00 1.00 C ATOM 367 C ARG A 24 2.484 0.881 -1.558 1.00 1.00 C ATOM 368 O ARG A 24 2.372 1.914 -0.932 1.00 1.00 O ATOM 369 CB ARG A 24 3.450 -1.095 -0.366 1.00 1.00 C ATOM 370 CG ARG A 24 4.066 -0.066 0.532 1.00 1.00 C ATOM 371 CD ARG A 24 4.778 -0.685 1.681 1.00 1.00 C ATOM 372 NE ARG A 24 6.248 -0.496 1.538 1.00 1.00 N ATOM 373 CZ ARG A 24 6.993 -0.623 2.590 1.00 1.00 C ATOM 374 NH1 ARG A 24 7.024 0.362 3.435 1.00 1.00 N ATOM 375 NH2 ARG A 24 7.654 -1.728 2.735 1.00 1.00 N ATOM 0 H ARG A 24 2.046 -2.380 -1.769 1.00 1.00 H new ATOM 0 HA ARG A 24 1.459 -0.214 -0.142 1.00 1.00 H new ATOM 0 HB2 ARG A 24 3.223 -2.008 0.184 1.00 1.00 H new ATOM 0 HB3 ARG A 24 4.132 -1.370 -1.171 1.00 1.00 H new ATOM 0 HG2 ARG A 24 4.764 0.544 -0.041 1.00 1.00 H new ATOM 0 HG3 ARG A 24 3.289 0.602 0.904 1.00 1.00 H new ATOM 0 HD2 ARG A 24 4.436 -0.237 2.614 1.00 1.00 H new ATOM 0 HD3 ARG A 24 4.544 -1.748 1.733 1.00 1.00 H new ATOM 0 HE ARG A 24 6.659 -0.272 0.632 1.00 1.00 H new ATOM 0 HH11 ARG A 24 6.472 1.202 3.260 1.00 1.00 H new ATOM 0 HH12 ARG A 24 7.600 0.296 4.274 1.00 1.00 H new ATOM 0 HH21 ARG A 24 7.578 -2.464 2.033 1.00 1.00 H new ATOM 0 HH22 ARG A 24 8.250 -1.862 3.551 1.00 1.00 H new ATOM 389 N LEU A 25 2.837 0.815 -2.804 1.00 1.00 N ATOM 390 CA LEU A 25 3.188 2.040 -3.558 1.00 1.00 C ATOM 391 C LEU A 25 2.141 3.099 -3.642 1.00 1.00 C ATOM 392 O LEU A 25 2.195 4.139 -3.020 1.00 1.00 O ATOM 393 CB LEU A 25 3.573 1.575 -4.958 1.00 1.00 C ATOM 394 CG LEU A 25 3.981 2.722 -5.927 1.00 1.00 C ATOM 395 CD1 LEU A 25 5.190 3.498 -5.372 1.00 1.00 C ATOM 396 CD2 LEU A 25 4.358 2.111 -7.290 1.00 1.00 C ATOM 0 H LEU A 25 2.898 -0.050 -3.341 1.00 1.00 H new ATOM 0 HA LEU A 25 3.992 2.535 -3.013 1.00 1.00 H new ATOM 0 HB2 LEU A 25 4.401 0.871 -4.879 1.00 1.00 H new ATOM 0 HB3 LEU A 25 2.733 1.032 -5.391 1.00 1.00 H new ATOM 0 HG LEU A 25 3.143 3.410 -6.034 1.00 1.00 H new ATOM 0 HD11 LEU A 25 5.459 4.296 -6.064 1.00 1.00 H new ATOM 0 HD12 LEU A 25 4.933 3.929 -4.404 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.035 2.819 -5.254 1.00 1.00 H new ATOM 0 HD21 LEU A 25 4.646 2.906 -7.978 1.00 1.00 H new ATOM 0 HD22 LEU A 25 5.193 1.422 -7.162 1.00 1.00 H new ATOM 0 HD23 LEU A 25 3.502 1.572 -7.696 1.00 1.00 H new ATOM 408 N SER A 26 1.198 2.762 -4.450 1.00 1.00 N ATOM 409 CA SER A 26 0.070 3.683 -4.686 1.00 1.00 C ATOM 410 C SER A 26 -1.265 3.078 -4.459 1.00 1.00 C ATOM 411 O SER A 26 -2.255 3.751 -4.686 1.00 1.00 O ATOM 412 CB SER A 26 0.216 4.191 -6.116 1.00 1.00 C ATOM 413 OG SER A 26 0.565 3.016 -6.848 1.00 1.00 O ATOM 0 H SER A 26 1.156 1.882 -4.963 1.00 1.00 H new ATOM 0 HA SER A 26 0.116 4.495 -3.960 1.00 1.00 H new ATOM 0 HB2 SER A 26 -0.711 4.633 -6.482 1.00 1.00 H new ATOM 0 HB3 SER A 26 0.987 4.957 -6.194 1.00 1.00 H new ATOM 0 HG SER A 26 0.681 3.243 -7.794 1.00 1.00 H new ATOM 419 N PHE A 27 -1.284 1.846 -4.024 1.00 1.00 N ATOM 420 CA PHE A 27 -2.662 1.288 -3.812 1.00 1.00 C ATOM 421 C PHE A 27 -3.086 1.494 -2.370 1.00 1.00 C ATOM 422 O PHE A 27 -4.195 1.912 -2.100 1.00 1.00 O ATOM 423 CB PHE A 27 -2.732 -0.218 -4.088 1.00 1.00 C ATOM 424 CG PHE A 27 -2.429 -0.613 -5.545 1.00 1.00 C ATOM 425 CD1 PHE A 27 -1.785 0.213 -6.456 1.00 1.00 C ATOM 426 CD2 PHE A 27 -2.821 -1.873 -5.953 1.00 1.00 C ATOM 427 CE1 PHE A 27 -1.543 -0.222 -7.738 1.00 1.00 C ATOM 428 CE2 PHE A 27 -2.580 -2.308 -7.234 1.00 1.00 C ATOM 429 CZ PHE A 27 -1.940 -1.481 -8.124 1.00 1.00 C ATOM 0 H PHE A 27 -0.487 1.243 -3.820 1.00 1.00 H new ATOM 0 HA PHE A 27 -3.317 1.813 -4.507 1.00 1.00 H new ATOM 0 HB2 PHE A 27 -2.027 -0.728 -3.432 1.00 1.00 H new ATOM 0 HB3 PHE A 27 -3.727 -0.577 -3.827 1.00 1.00 H new ATOM 0 HD1 PHE A 27 -1.472 1.202 -6.156 1.00 1.00 H new ATOM 0 HD2 PHE A 27 -3.324 -2.526 -5.255 1.00 1.00 H new ATOM 0 HE1 PHE A 27 -1.041 0.425 -8.442 1.00 1.00 H new ATOM 0 HE2 PHE A 27 -2.892 -3.296 -7.539 1.00 1.00 H new ATOM 0 HZ PHE A 27 -1.748 -1.821 -9.131 1.00 1.00 H new ATOM 439 N CYS A 28 -2.162 1.203 -1.493 1.00 1.00 N ATOM 440 CA CYS A 28 -2.419 1.336 -0.023 1.00 1.00 C ATOM 441 C CYS A 28 -1.556 2.498 0.511 1.00 1.00 C ATOM 442 O CYS A 28 -0.922 2.433 1.549 1.00 1.00 O ATOM 443 CB CYS A 28 -2.017 0.047 0.627 1.00 1.00 C ATOM 444 SG CYS A 28 -1.864 -1.423 -0.425 1.00 1.00 S ATOM 0 H CYS A 28 -1.227 0.874 -1.733 1.00 1.00 H new ATOM 0 HA CYS A 28 -3.468 1.542 0.188 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -1.058 0.206 1.121 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -2.744 -0.175 1.408 1.00 1.00 H new ATOM 449 N ARG A 29 -1.589 3.531 -0.264 1.00 1.00 N ATOM 450 CA ARG A 29 -0.846 4.795 0.005 1.00 1.00 C ATOM 451 C ARG A 29 -0.585 5.141 1.465 1.00 1.00 C ATOM 452 O ARG A 29 0.546 5.215 1.903 1.00 1.00 O ATOM 453 CB ARG A 29 -1.655 5.858 -0.692 1.00 1.00 C ATOM 454 CG ARG A 29 -1.294 5.684 -2.196 1.00 1.00 C ATOM 455 CD ARG A 29 -2.072 6.602 -3.118 1.00 1.00 C ATOM 456 NE ARG A 29 -1.071 7.469 -3.832 1.00 1.00 N ATOM 457 CZ ARG A 29 -0.965 7.445 -5.133 1.00 1.00 C ATOM 458 NH1 ARG A 29 -2.075 7.462 -5.807 1.00 1.00 N ATOM 459 NH2 ARG A 29 0.222 7.403 -5.674 1.00 1.00 N ATOM 0 H ARG A 29 -2.132 3.557 -1.127 1.00 1.00 H new ATOM 0 HA ARG A 29 0.174 4.695 -0.367 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -2.723 5.723 -0.520 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -1.398 6.854 -0.333 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.228 5.868 -2.329 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.477 4.650 -2.488 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -2.658 6.023 -3.832 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -2.774 7.213 -2.550 1.00 1.00 H new ATOM 0 HE ARG A 29 -0.465 8.086 -3.291 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -2.969 7.493 -5.317 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -2.053 7.445 -6.827 1.00 1.00 H new ATOM 0 HH21 ARG A 29 1.052 7.389 -5.082 1.00 1.00 H new ATOM 0 HH22 ARG A 29 0.319 7.384 -6.689 1.00 1.00 H new ATOM 473 N LYS A 30 -1.642 5.339 2.192 1.00 1.00 N ATOM 474 CA LYS A 30 -1.445 5.683 3.633 1.00 1.00 C ATOM 475 C LYS A 30 -1.364 4.345 4.323 1.00 1.00 C ATOM 476 O LYS A 30 -0.471 4.102 5.108 1.00 1.00 O ATOM 477 CB LYS A 30 -2.636 6.490 4.150 1.00 1.00 C ATOM 478 CG LYS A 30 -2.887 7.637 3.149 1.00 1.00 C ATOM 479 CD LYS A 30 -3.311 8.913 3.885 1.00 1.00 C ATOM 480 CE LYS A 30 -3.410 10.031 2.838 1.00 1.00 C ATOM 481 NZ LYS A 30 -3.435 11.368 3.505 1.00 1.00 N ATOM 0 H LYS A 30 -2.608 5.282 1.871 1.00 1.00 H new ATOM 0 HA LYS A 30 -0.559 6.293 3.807 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -3.519 5.857 4.238 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -2.428 6.887 5.144 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -1.982 7.827 2.572 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -3.662 7.345 2.440 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.269 8.768 4.385 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -2.585 9.171 4.656 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -2.563 9.974 2.155 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.311 9.899 2.240 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -3.502 12.114 2.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.257 11.424 4.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -2.563 11.497 4.057 1.00 1.00 H new ATOM 495 N THR A 31 -2.319 3.520 3.995 1.00 1.00 N ATOM 496 CA THR A 31 -2.441 2.132 4.539 1.00 1.00 C ATOM 497 C THR A 31 -1.083 1.487 4.831 1.00 1.00 C ATOM 498 O THR A 31 -0.980 0.685 5.743 1.00 1.00 O ATOM 499 CB THR A 31 -3.212 1.307 3.523 1.00 1.00 C ATOM 500 OG1 THR A 31 -4.543 1.770 3.605 1.00 1.00 O ATOM 501 CG2 THR A 31 -3.384 -0.129 3.923 1.00 1.00 C ATOM 0 H THR A 31 -3.059 3.764 3.337 1.00 1.00 H new ATOM 0 HA THR A 31 -2.964 2.173 5.495 1.00 1.00 H new ATOM 0 HB THR A 31 -2.686 1.389 2.572 1.00 1.00 H new ATOM 0 HG1 THR A 31 -5.101 1.277 2.968 1.00 1.00 H new ATOM 0 HG21 THR A 31 -3.943 -0.657 3.151 1.00 1.00 H new ATOM 0 HG22 THR A 31 -2.405 -0.593 4.044 1.00 1.00 H new ATOM 0 HG23 THR A 31 -3.929 -0.181 4.866 1.00 1.00 H new ATOM 509 N CYS A 32 -0.096 1.837 4.041 1.00 1.00 N ATOM 510 CA CYS A 32 1.262 1.257 4.261 1.00 1.00 C ATOM 511 C CYS A 32 2.136 2.393 4.758 1.00 1.00 C ATOM 512 O CYS A 32 2.917 2.224 5.672 1.00 1.00 O ATOM 513 CB CYS A 32 1.806 0.694 2.955 1.00 1.00 C ATOM 514 SG CYS A 32 1.763 -1.116 2.850 1.00 1.00 S ATOM 0 H CYS A 32 -0.172 2.492 3.263 1.00 1.00 H new ATOM 0 HA CYS A 32 1.237 0.440 4.982 1.00 1.00 H new ATOM 0 HB2 CYS A 32 1.232 1.108 2.127 1.00 1.00 H new ATOM 0 HB3 CYS A 32 2.835 1.030 2.829 1.00 1.00 H new ATOM 519 N GLY A 33 1.988 3.519 4.124 1.00 1.00 N ATOM 520 CA GLY A 33 2.790 4.716 4.536 1.00 1.00 C ATOM 521 C GLY A 33 3.826 5.080 3.503 1.00 1.00 C ATOM 522 O GLY A 33 4.993 5.218 3.815 1.00 1.00 O ATOM 0 H GLY A 33 1.351 3.669 3.341 1.00 1.00 H new ATOM 0 HA2 GLY A 33 2.123 5.563 4.695 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.281 4.514 5.488 1.00 1.00 H new ATOM 526 N THR A 34 3.366 5.211 2.291 1.00 1.00 N ATOM 527 CA THR A 34 4.287 5.570 1.183 1.00 1.00 C ATOM 528 C THR A 34 4.198 7.020 0.714 1.00 1.00 C ATOM 529 O THR A 34 5.238 7.625 0.526 1.00 1.00 O ATOM 530 CB THR A 34 3.990 4.615 0.039 1.00 1.00 C ATOM 531 OG1 THR A 34 2.592 4.373 0.145 1.00 1.00 O ATOM 532 CG2 THR A 34 4.675 3.261 0.291 1.00 1.00 C ATOM 0 H THR A 34 2.390 5.084 2.021 1.00 1.00 H new ATOM 0 HA THR A 34 5.309 5.477 1.550 1.00 1.00 H new ATOM 0 HB THR A 34 4.320 5.022 -0.917 1.00 1.00 H new ATOM 0 HG1 THR A 34 2.365 3.550 -0.336 1.00 1.00 H new ATOM 0 HG21 THR A 34 4.456 2.583 -0.534 1.00 1.00 H new ATOM 0 HG22 THR A 34 5.753 3.407 0.365 1.00 1.00 H new ATOM 0 HG23 THR A 34 4.302 2.832 1.221 1.00 1.00 H new ATOM 540 N CYS A 35 3.022 7.565 0.519 1.00 1.00 N ATOM 541 CA CYS A 35 2.898 8.974 0.060 1.00 1.00 C ATOM 542 C CYS A 35 2.266 9.907 1.119 1.00 1.00 C ATOM 543 O CYS A 35 1.926 9.369 2.163 1.00 1.00 O ATOM 544 CB CYS A 35 2.067 8.926 -1.209 1.00 1.00 C ATOM 545 SG CYS A 35 0.430 8.147 -1.178 1.00 1.00 S ATOM 546 OXT CYS A 35 2.160 11.094 0.819 1.00 1.00 O ATOM 0 H CYS A 35 2.134 7.083 0.662 1.00 1.00 H new ATOM 0 HA CYS A 35 3.886 9.399 -0.118 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.933 9.952 -1.550 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.658 8.412 -1.967 1.00 1.00 H new TER 551 CYS A 35