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 Set 1.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.0204 USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -0.354 F(o=-1.3,f=-0.37) USER MOD Set 2.2: A 22 LYS NZ :NH3+ -124:sc= -0.0141 (180deg=-0.943) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -0.431 (180deg=-1.89!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00183 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0356 (180deg=-0.276) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -0.0763 (180deg=-0.456) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.685) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.493 -11.990 -19.164 1.00 0.00 N ATOM 2 CA GLY A 1 -8.476 -12.842 -17.990 1.00 0.00 C ATOM 3 C GLY A 1 -9.869 -13.215 -17.524 1.00 0.00 C ATOM 4 O GLY A 1 -10.679 -12.344 -17.206 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.517 -11.763 -19.443 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.970 -12.484 -19.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.004 -11.111 -18.947 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.915 -13.750 -18.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.950 -12.332 -17.183 1.00 0.00 H new ATOM 8 N SER A 2 -10.151 -14.514 -17.485 1.00 0.00 N ATOM 9 CA SER A 2 -11.458 -15.000 -17.060 1.00 0.00 C ATOM 10 C SER A 2 -11.506 -15.176 -15.545 1.00 0.00 C ATOM 11 O SER A 2 -10.471 -15.297 -14.890 1.00 0.00 O ATOM 12 CB SER A 2 -11.781 -16.326 -17.750 1.00 0.00 C ATOM 13 OG SER A 2 -10.857 -17.334 -17.377 1.00 0.00 O ATOM 0 H SER A 2 -9.491 -15.248 -17.743 1.00 0.00 H new ATOM 0 HA SER A 2 -12.205 -14.259 -17.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.791 -16.639 -17.487 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.760 -16.191 -18.831 1.00 0.00 H new ATOM 0 HG SER A 2 -11.086 -18.172 -17.830 1.00 0.00 H new ATOM 19 N SER A 3 -12.716 -15.191 -14.996 1.00 0.00 N ATOM 20 CA SER A 3 -12.901 -15.349 -13.558 1.00 0.00 C ATOM 21 C SER A 3 -14.288 -15.901 -13.246 1.00 0.00 C ATOM 22 O SER A 3 -15.173 -15.907 -14.100 1.00 0.00 O ATOM 23 CB SER A 3 -12.701 -14.009 -12.846 1.00 0.00 C ATOM 24 OG SER A 3 -13.578 -13.022 -13.362 1.00 0.00 O ATOM 0 H SER A 3 -13.583 -15.096 -15.525 1.00 0.00 H new ATOM 0 HA SER A 3 -12.157 -16.059 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.875 -14.132 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.668 -13.681 -12.965 1.00 0.00 H new ATOM 0 HG SER A 3 -13.432 -12.176 -12.890 1.00 0.00 H new ATOM 30 N GLY A 4 -14.470 -16.365 -12.013 1.00 0.00 N ATOM 31 CA GLY A 4 -15.751 -16.913 -11.608 1.00 0.00 C ATOM 32 C GLY A 4 -16.497 -16.002 -10.654 1.00 0.00 C ATOM 33 O GLY A 4 -17.334 -15.203 -11.075 1.00 0.00 O ATOM 0 H GLY A 4 -13.753 -16.371 -11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.364 -17.087 -12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.594 -17.881 -11.133 1.00 0.00 H new ATOM 37 N SER A 5 -16.195 -16.122 -9.365 1.00 0.00 N ATOM 38 CA SER A 5 -16.848 -15.305 -8.348 1.00 0.00 C ATOM 39 C SER A 5 -16.411 -13.848 -8.460 1.00 0.00 C ATOM 40 O SER A 5 -15.227 -13.553 -8.621 1.00 0.00 O ATOM 41 CB SER A 5 -16.526 -15.840 -6.951 1.00 0.00 C ATOM 42 OG SER A 5 -15.180 -15.573 -6.600 1.00 0.00 O ATOM 0 H SER A 5 -15.503 -16.776 -9.000 1.00 0.00 H new ATOM 0 HA SER A 5 -17.925 -15.357 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.193 -15.382 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.707 -16.914 -6.919 1.00 0.00 H new ATOM 0 HG SER A 5 -15.000 -15.923 -5.703 1.00 0.00 H new ATOM 48 N SER A 6 -17.377 -12.939 -8.372 1.00 0.00 N ATOM 49 CA SER A 6 -17.095 -11.512 -8.466 1.00 0.00 C ATOM 50 C SER A 6 -16.306 -11.032 -7.252 1.00 0.00 C ATOM 51 O SER A 6 -16.880 -10.692 -6.219 1.00 0.00 O ATOM 52 CB SER A 6 -18.398 -10.719 -8.587 1.00 0.00 C ATOM 53 OG SER A 6 -18.845 -10.673 -9.931 1.00 0.00 O ATOM 0 H SER A 6 -18.362 -13.166 -8.236 1.00 0.00 H new ATOM 0 HA SER A 6 -16.492 -11.345 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.165 -11.176 -7.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.246 -9.705 -8.216 1.00 0.00 H new ATOM 0 HG SER A 6 -19.680 -10.162 -9.981 1.00 0.00 H new ATOM 59 N GLY A 7 -14.983 -11.009 -7.385 1.00 0.00 N ATOM 60 CA GLY A 7 -14.135 -10.570 -6.292 1.00 0.00 C ATOM 61 C GLY A 7 -12.812 -10.009 -6.773 1.00 0.00 C ATOM 62 O GLY A 7 -11.847 -10.749 -6.963 1.00 0.00 O ATOM 0 H GLY A 7 -14.484 -11.287 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.659 -9.810 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.948 -11.409 -5.622 1.00 0.00 H new ATOM 66 N LYS A 8 -12.767 -8.696 -6.974 1.00 0.00 N ATOM 67 CA LYS A 8 -11.553 -8.034 -7.437 1.00 0.00 C ATOM 68 C LYS A 8 -10.770 -7.451 -6.266 1.00 0.00 C ATOM 69 O LYS A 8 -10.308 -6.311 -6.319 1.00 0.00 O ATOM 70 CB LYS A 8 -11.900 -6.926 -8.434 1.00 0.00 C ATOM 71 CG LYS A 8 -10.709 -6.437 -9.240 1.00 0.00 C ATOM 72 CD LYS A 8 -11.137 -5.489 -10.348 1.00 0.00 C ATOM 73 CE LYS A 8 -11.529 -6.245 -11.608 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.936 -6.730 -11.548 1.00 0.00 N ATOM 0 H LYS A 8 -13.558 -8.069 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.930 -8.779 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.666 -7.292 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.332 -6.084 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.004 -5.932 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.186 -7.290 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.979 -4.886 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.323 -4.801 -10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.405 -5.596 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.858 -7.093 -11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.358 -6.688 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.950 -7.712 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.483 -6.129 -10.899 1.00 0.00 H new ATOM 88 N THR A 9 -10.622 -8.241 -5.207 1.00 0.00 N ATOM 89 CA THR A 9 -9.895 -7.804 -4.022 1.00 0.00 C ATOM 90 C THR A 9 -8.651 -7.008 -4.403 1.00 0.00 C ATOM 91 O THR A 9 -7.876 -7.424 -5.266 1.00 0.00 O ATOM 92 CB THR A 9 -9.477 -8.999 -3.145 1.00 0.00 C ATOM 93 OG1 THR A 9 -10.603 -9.853 -2.912 1.00 0.00 O ATOM 94 CG2 THR A 9 -8.910 -8.524 -1.816 1.00 0.00 C ATOM 0 H THR A 9 -10.997 -9.188 -5.146 1.00 0.00 H new ATOM 0 HA THR A 9 -10.572 -7.166 -3.454 1.00 0.00 H new ATOM 0 HB THR A 9 -8.703 -9.555 -3.673 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.329 -10.611 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.622 -9.386 -1.214 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.035 -7.899 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.666 -7.946 -1.284 1.00 0.00 H new ATOM 102 N HIS A 10 -8.464 -5.863 -3.754 1.00 0.00 N ATOM 103 CA HIS A 10 -7.313 -5.010 -4.024 1.00 0.00 C ATOM 104 C HIS A 10 -6.037 -5.624 -3.457 1.00 0.00 C ATOM 105 O HIS A 10 -5.752 -5.499 -2.265 1.00 0.00 O ATOM 106 CB HIS A 10 -7.532 -3.619 -3.430 1.00 0.00 C ATOM 107 CG HIS A 10 -8.657 -2.865 -4.069 1.00 0.00 C ATOM 108 ND1 HIS A 10 -9.989 -3.106 -4.082 1.00 0.00 N flip ATOM 109 CD2 HIS A 10 -8.470 -1.712 -4.803 1.00 0.00 C flip ATOM 110 CE1 HIS A 10 -10.577 -2.104 -4.815 1.00 0.00 C flip ATOM 111 NE2 HIS A 10 -9.639 -1.276 -5.238 1.00 0.00 N flip ATOM 0 H HIS A 10 -9.095 -5.505 -3.037 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.203 -4.921 -5.105 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.731 -3.716 -2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.614 -3.041 -3.532 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.467 -3.886 -3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.517 -1.240 -4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.634 -2.009 -5.013 1.00 0.00 H new ATOM 119 N LEU A 11 -5.272 -6.288 -4.316 1.00 0.00 N ATOM 120 CA LEU A 11 -4.026 -6.922 -3.900 1.00 0.00 C ATOM 121 C LEU A 11 -2.832 -6.018 -4.188 1.00 0.00 C ATOM 122 O LEU A 11 -2.723 -5.440 -5.270 1.00 0.00 O ATOM 123 CB LEU A 11 -3.849 -8.262 -4.616 1.00 0.00 C ATOM 124 CG LEU A 11 -2.451 -8.879 -4.551 1.00 0.00 C ATOM 125 CD1 LEU A 11 -2.130 -9.324 -3.132 1.00 0.00 C ATOM 126 CD2 LEU A 11 -2.339 -10.049 -5.517 1.00 0.00 C ATOM 0 H LEU A 11 -5.493 -6.401 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.077 -7.095 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.558 -8.973 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.117 -8.129 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.726 -8.120 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.132 -9.761 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.168 -8.464 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.860 -10.067 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.338 -10.476 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.074 -10.810 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.525 -9.701 -6.533 1.00 0.00 H new ATOM 138 N CYS A 12 -1.937 -5.900 -3.213 1.00 0.00 N ATOM 139 CA CYS A 12 -0.749 -5.068 -3.360 1.00 0.00 C ATOM 140 C CYS A 12 0.390 -5.855 -4.003 1.00 0.00 C ATOM 141 O CYS A 12 0.924 -6.791 -3.408 1.00 0.00 O ATOM 142 CB CYS A 12 -0.306 -4.528 -1.999 1.00 0.00 C ATOM 143 SG CYS A 12 0.800 -3.084 -2.095 1.00 0.00 S ATOM 0 H CYS A 12 -2.012 -6.371 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.001 -4.230 -4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.190 -4.257 -1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.200 -5.324 -1.452 1.00 0.00 H new ATOM 148 N ASP A 13 0.756 -5.468 -5.219 1.00 0.00 N ATOM 149 CA ASP A 13 1.832 -6.135 -5.943 1.00 0.00 C ATOM 150 C ASP A 13 3.189 -5.557 -5.552 1.00 0.00 C ATOM 151 O ASP A 13 4.075 -5.405 -6.393 1.00 0.00 O ATOM 152 CB ASP A 13 1.622 -6.000 -7.452 1.00 0.00 C ATOM 153 CG ASP A 13 2.676 -6.740 -8.251 1.00 0.00 C ATOM 154 OD1 ASP A 13 2.751 -7.980 -8.130 1.00 0.00 O ATOM 155 OD2 ASP A 13 3.427 -6.078 -8.999 1.00 0.00 O ATOM 0 H ASP A 13 0.323 -4.695 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 13 1.816 -7.192 -5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.636 -6.383 -7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.637 -4.945 -7.725 1.00 0.00 H new ATOM 160 N MET A 14 3.344 -5.238 -4.271 1.00 0.00 N ATOM 161 CA MET A 14 4.593 -4.677 -3.770 1.00 0.00 C ATOM 162 C MET A 14 5.059 -5.419 -2.521 1.00 0.00 C ATOM 163 O MET A 14 6.256 -5.628 -2.321 1.00 0.00 O ATOM 164 CB MET A 14 4.421 -3.189 -3.459 1.00 0.00 C ATOM 165 CG MET A 14 4.341 -2.314 -4.699 1.00 0.00 C ATOM 166 SD MET A 14 4.978 -0.651 -4.418 1.00 0.00 S ATOM 167 CE MET A 14 3.462 0.302 -4.450 1.00 0.00 C ATOM 0 H MET A 14 2.621 -5.358 -3.562 1.00 0.00 H new ATOM 0 HA MET A 14 5.351 -4.793 -4.545 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.515 -3.052 -2.869 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.256 -2.856 -2.843 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.904 -2.783 -5.506 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.304 -2.251 -5.028 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.691 1.356 -4.290 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.976 0.179 -5.418 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.795 -0.048 -3.662 1.00 0.00 H new ATOM 177 N CYS A 15 4.107 -5.814 -1.683 1.00 0.00 N ATOM 178 CA CYS A 15 4.419 -6.531 -0.453 1.00 0.00 C ATOM 179 C CYS A 15 3.634 -7.838 -0.371 1.00 0.00 C ATOM 180 O CYS A 15 4.110 -8.826 0.186 1.00 0.00 O ATOM 181 CB CYS A 15 4.107 -5.659 0.765 1.00 0.00 C ATOM 182 SG CYS A 15 2.394 -5.043 0.818 1.00 0.00 S ATOM 0 H CYS A 15 3.112 -5.649 -1.834 1.00 0.00 H new ATOM 0 HA CYS A 15 5.483 -6.766 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.303 -6.234 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.788 -4.808 0.774 1.00 0.00 H new ATOM 187 N GLY A 16 2.428 -7.833 -0.931 1.00 0.00 N ATOM 188 CA GLY A 16 1.597 -9.022 -0.910 1.00 0.00 C ATOM 189 C GLY A 16 0.459 -8.917 0.085 1.00 0.00 C ATOM 190 O GLY A 16 0.121 -9.891 0.759 1.00 0.00 O ATOM 0 H GLY A 16 2.012 -7.027 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.190 -9.194 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.212 -9.887 -0.663 1.00 0.00 H new ATOM 194 N LYS A 17 -0.134 -7.732 0.181 1.00 0.00 N ATOM 195 CA LYS A 17 -1.240 -7.502 1.102 1.00 0.00 C ATOM 196 C LYS A 17 -2.552 -7.328 0.344 1.00 0.00 C ATOM 197 O LYS A 17 -2.608 -6.632 -0.670 1.00 0.00 O ATOM 198 CB LYS A 17 -0.967 -6.265 1.961 1.00 0.00 C ATOM 199 CG LYS A 17 0.088 -6.488 3.031 1.00 0.00 C ATOM 200 CD LYS A 17 0.023 -5.420 4.109 1.00 0.00 C ATOM 201 CE LYS A 17 0.838 -5.812 5.332 1.00 0.00 C ATOM 202 NZ LYS A 17 2.302 -5.774 5.058 1.00 0.00 N ATOM 0 H LYS A 17 0.133 -6.915 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.328 -8.374 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.649 -5.447 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.896 -5.952 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.052 -7.470 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.077 -6.485 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.394 -4.476 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.015 -5.257 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.605 -5.137 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.554 -6.815 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.823 -6.047 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.529 -6.437 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.578 -4.811 4.778 1.00 0.00 H new ATOM 216 N LYS A 18 -3.608 -7.963 0.843 1.00 0.00 N ATOM 217 CA LYS A 18 -4.921 -7.876 0.214 1.00 0.00 C ATOM 218 C LYS A 18 -5.832 -6.929 0.988 1.00 0.00 C ATOM 219 O LYS A 18 -5.884 -6.967 2.217 1.00 0.00 O ATOM 220 CB LYS A 18 -5.562 -9.263 0.132 1.00 0.00 C ATOM 221 CG LYS A 18 -5.263 -9.995 -1.165 1.00 0.00 C ATOM 222 CD LYS A 18 -5.561 -11.481 -1.049 1.00 0.00 C ATOM 223 CE LYS A 18 -5.435 -12.181 -2.393 1.00 0.00 C ATOM 224 NZ LYS A 18 -5.064 -13.615 -2.238 1.00 0.00 N ATOM 0 H LYS A 18 -3.580 -8.543 1.681 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.789 -7.483 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.211 -9.866 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.642 -9.162 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.858 -9.566 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.216 -9.853 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.875 -11.936 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.568 -11.622 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.380 -12.106 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.683 -11.674 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.988 -14.057 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.150 -13.686 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.795 -14.105 -1.683 1.00 0.00 H new ATOM 238 N PHE A 19 -6.550 -6.080 0.259 1.00 0.00 N ATOM 239 CA PHE A 19 -7.461 -5.123 0.877 1.00 0.00 C ATOM 240 C PHE A 19 -8.835 -5.174 0.215 1.00 0.00 C ATOM 241 O PHE A 19 -8.947 -5.360 -0.997 1.00 0.00 O ATOM 242 CB PHE A 19 -6.888 -3.707 0.781 1.00 0.00 C ATOM 243 CG PHE A 19 -5.542 -3.560 1.431 1.00 0.00 C ATOM 244 CD1 PHE A 19 -5.438 -3.249 2.777 1.00 0.00 C ATOM 245 CD2 PHE A 19 -4.380 -3.733 0.695 1.00 0.00 C ATOM 246 CE1 PHE A 19 -4.200 -3.112 3.377 1.00 0.00 C ATOM 247 CE2 PHE A 19 -3.140 -3.597 1.290 1.00 0.00 C ATOM 248 CZ PHE A 19 -3.050 -3.287 2.633 1.00 0.00 C ATOM 0 H PHE A 19 -6.519 -6.035 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.573 -5.392 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.808 -3.426 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.585 -3.009 1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.334 -3.112 3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.444 -3.977 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.132 -2.868 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.242 -3.733 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.082 -3.182 3.100 1.00 0.00 H new ATOM 258 N LYS A 20 -9.879 -5.008 1.020 1.00 0.00 N ATOM 259 CA LYS A 20 -11.246 -5.034 0.515 1.00 0.00 C ATOM 260 C LYS A 20 -11.783 -3.618 0.325 1.00 0.00 C ATOM 261 O LYS A 20 -12.991 -3.390 0.381 1.00 0.00 O ATOM 262 CB LYS A 20 -12.152 -5.809 1.475 1.00 0.00 C ATOM 263 CG LYS A 20 -11.874 -5.520 2.940 1.00 0.00 C ATOM 264 CD LYS A 20 -12.979 -6.058 3.834 1.00 0.00 C ATOM 265 CE LYS A 20 -14.204 -5.158 3.809 1.00 0.00 C ATOM 266 NZ LYS A 20 -13.942 -3.845 4.461 1.00 0.00 N ATOM 0 H LYS A 20 -9.804 -4.854 2.026 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.239 -5.535 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.192 -5.566 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.030 -6.877 1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.923 -5.968 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.777 -4.444 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.256 -7.061 3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.611 -6.145 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.514 -4.995 2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.031 -5.656 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.846 -3.389 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.390 -3.993 5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.407 -3.235 3.811 1.00 0.00 H new ATOM 280 N SER A 21 -10.877 -2.672 0.098 1.00 0.00 N ATOM 281 CA SER A 21 -11.260 -1.279 -0.098 1.00 0.00 C ATOM 282 C SER A 21 -10.107 -0.478 -0.696 1.00 0.00 C ATOM 283 O SER A 21 -9.023 -0.400 -0.117 1.00 0.00 O ATOM 284 CB SER A 21 -11.694 -0.655 1.229 1.00 0.00 C ATOM 285 OG SER A 21 -11.962 0.728 1.080 1.00 0.00 O ATOM 0 H SER A 21 -9.873 -2.845 0.045 1.00 0.00 H new ATOM 0 HA SER A 21 -12.098 -1.253 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.584 -1.163 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.912 -0.799 1.975 1.00 0.00 H new ATOM 0 HG SER A 21 -12.239 1.102 1.942 1.00 0.00 H new ATOM 291 N LYS A 22 -10.349 0.116 -1.860 1.00 0.00 N ATOM 292 CA LYS A 22 -9.334 0.912 -2.539 1.00 0.00 C ATOM 293 C LYS A 22 -8.723 1.939 -1.590 1.00 0.00 C ATOM 294 O LYS A 22 -7.546 1.856 -1.244 1.00 0.00 O ATOM 295 CB LYS A 22 -9.939 1.621 -3.752 1.00 0.00 C ATOM 296 CG LYS A 22 -8.901 2.173 -4.714 1.00 0.00 C ATOM 297 CD LYS A 22 -9.551 2.920 -5.867 1.00 0.00 C ATOM 298 CE LYS A 22 -9.952 1.974 -6.989 1.00 0.00 C ATOM 299 NZ LYS A 22 -11.335 1.453 -6.807 1.00 0.00 N ATOM 0 H LYS A 22 -11.240 0.061 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.545 0.239 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.583 0.923 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.573 2.438 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.227 2.843 -4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.294 1.356 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.431 3.453 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.860 3.670 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.882 2.494 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.252 1.140 -7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.316 0.413 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.719 1.797 -5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.936 1.785 -7.588 1.00 0.00 H new ATOM 313 N GLY A 23 -9.534 2.906 -1.170 1.00 0.00 N ATOM 314 CA GLY A 23 -9.056 3.934 -0.264 1.00 0.00 C ATOM 315 C GLY A 23 -8.079 3.394 0.761 1.00 0.00 C ATOM 316 O GLY A 23 -7.080 4.039 1.079 1.00 0.00 O ATOM 0 H GLY A 23 -10.513 2.995 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.575 4.725 -0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.905 4.385 0.250 1.00 0.00 H new ATOM 320 N THR A 24 -8.368 2.206 1.284 1.00 0.00 N ATOM 321 CA THR A 24 -7.510 1.580 2.281 1.00 0.00 C ATOM 322 C THR A 24 -6.167 1.181 1.679 1.00 0.00 C ATOM 323 O THR A 24 -5.111 1.484 2.236 1.00 0.00 O ATOM 324 CB THR A 24 -8.176 0.333 2.893 1.00 0.00 C ATOM 325 OG1 THR A 24 -9.462 0.675 3.422 1.00 0.00 O ATOM 326 CG2 THR A 24 -7.309 -0.258 3.995 1.00 0.00 C ATOM 0 H THR A 24 -9.191 1.658 1.033 1.00 0.00 H new ATOM 0 HA THR A 24 -7.348 2.319 3.066 1.00 0.00 H new ATOM 0 HB THR A 24 -8.294 -0.412 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.880 -0.123 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.800 -1.137 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.341 -0.544 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.164 0.483 4.781 1.00 0.00 H new ATOM 334 N LEU A 25 -6.214 0.501 0.539 1.00 0.00 N ATOM 335 CA LEU A 25 -5.000 0.061 -0.139 1.00 0.00 C ATOM 336 C LEU A 25 -4.157 1.254 -0.576 1.00 0.00 C ATOM 337 O LEU A 25 -2.929 1.221 -0.502 1.00 0.00 O ATOM 338 CB LEU A 25 -5.355 -0.799 -1.354 1.00 0.00 C ATOM 339 CG LEU A 25 -4.276 -0.917 -2.431 1.00 0.00 C ATOM 340 CD1 LEU A 25 -3.212 -1.920 -2.013 1.00 0.00 C ATOM 341 CD2 LEU A 25 -4.894 -1.316 -3.763 1.00 0.00 C ATOM 0 H LEU A 25 -7.079 0.242 0.065 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.417 -0.535 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.603 -1.801 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.255 -0.390 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.801 0.057 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.453 -1.991 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.748 -1.592 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.671 -2.897 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.112 -1.395 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.396 -2.278 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.618 -0.561 -4.069 1.00 0.00 H new ATOM 353 N LYS A 26 -4.825 2.309 -1.030 1.00 0.00 N ATOM 354 CA LYS A 26 -4.139 3.516 -1.476 1.00 0.00 C ATOM 355 C LYS A 26 -3.265 4.087 -0.364 1.00 0.00 C ATOM 356 O LYS A 26 -2.055 4.241 -0.529 1.00 0.00 O ATOM 357 CB LYS A 26 -5.155 4.567 -1.931 1.00 0.00 C ATOM 358 CG LYS A 26 -4.537 5.922 -2.228 1.00 0.00 C ATOM 359 CD LYS A 26 -5.586 6.930 -2.665 1.00 0.00 C ATOM 360 CE LYS A 26 -6.201 7.646 -1.473 1.00 0.00 C ATOM 361 NZ LYS A 26 -5.215 8.525 -0.785 1.00 0.00 N ATOM 0 H LYS A 26 -5.842 2.353 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.499 3.250 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.664 4.205 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.914 4.685 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.024 6.291 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.785 5.816 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.133 7.660 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.368 6.422 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.050 8.243 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.587 6.911 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.718 9.285 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.667 7.964 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.570 8.940 -1.488 1.00 0.00 H new ATOM 375 N SER A 27 -3.886 4.398 0.770 1.00 0.00 N ATOM 376 CA SER A 27 -3.164 4.955 1.909 1.00 0.00 C ATOM 377 C SER A 27 -1.988 4.063 2.295 1.00 0.00 C ATOM 378 O SER A 27 -0.973 4.539 2.804 1.00 0.00 O ATOM 379 CB SER A 27 -4.105 5.122 3.103 1.00 0.00 C ATOM 380 OG SER A 27 -3.465 5.809 4.164 1.00 0.00 O ATOM 0 H SER A 27 -4.887 4.274 0.924 1.00 0.00 H new ATOM 0 HA SER A 27 -2.777 5.932 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.995 5.671 2.795 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.438 4.143 3.448 1.00 0.00 H new ATOM 0 HG SER A 27 -4.088 5.904 4.915 1.00 0.00 H new ATOM 386 N HIS A 28 -2.132 2.764 2.049 1.00 0.00 N ATOM 387 CA HIS A 28 -1.082 1.804 2.370 1.00 0.00 C ATOM 388 C HIS A 28 0.055 1.883 1.355 1.00 0.00 C ATOM 389 O HIS A 28 1.226 1.959 1.725 1.00 0.00 O ATOM 390 CB HIS A 28 -1.653 0.386 2.405 1.00 0.00 C ATOM 391 CG HIS A 28 -0.616 -0.681 2.233 1.00 0.00 C ATOM 392 ND1 HIS A 28 0.177 -1.134 3.267 1.00 0.00 N ATOM 393 CD2 HIS A 28 -0.244 -1.387 1.139 1.00 0.00 C ATOM 394 CE1 HIS A 28 0.992 -2.071 2.816 1.00 0.00 C ATOM 395 NE2 HIS A 28 0.756 -2.244 1.528 1.00 0.00 N ATOM 0 H HIS A 28 -2.965 2.353 1.629 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.684 2.052 3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.166 0.233 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.401 0.285 1.619 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.140 -0.798 4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.657 -1.293 0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.726 -2.605 3.401 1.00 0.00 H new ATOM 403 N LYS A 29 -0.299 1.863 0.075 1.00 0.00 N ATOM 404 CA LYS A 29 0.690 1.932 -0.994 1.00 0.00 C ATOM 405 C LYS A 29 1.622 3.124 -0.796 1.00 0.00 C ATOM 406 O LYS A 29 2.845 2.982 -0.840 1.00 0.00 O ATOM 407 CB LYS A 29 -0.004 2.035 -2.354 1.00 0.00 C ATOM 408 CG LYS A 29 -0.482 0.698 -2.895 1.00 0.00 C ATOM 409 CD LYS A 29 -1.408 0.878 -4.086 1.00 0.00 C ATOM 410 CE LYS A 29 -0.630 0.948 -5.392 1.00 0.00 C ATOM 411 NZ LYS A 29 -0.168 2.333 -5.688 1.00 0.00 N ATOM 0 H LYS A 29 -1.264 1.800 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 29 1.284 1.019 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.857 2.708 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.684 2.483 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.377 0.095 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.001 0.151 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.115 0.050 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.992 1.790 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.231 0.282 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.258 0.592 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.082 2.458 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.856 3.016 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.758 2.493 -5.242 1.00 0.00 H new ATOM 425 N LEU A 30 1.037 4.296 -0.577 1.00 0.00 N ATOM 426 CA LEU A 30 1.816 5.512 -0.370 1.00 0.00 C ATOM 427 C LEU A 30 3.024 5.241 0.520 1.00 0.00 C ATOM 428 O LEU A 30 4.121 5.742 0.267 1.00 0.00 O ATOM 429 CB LEU A 30 0.941 6.601 0.256 1.00 0.00 C ATOM 430 CG LEU A 30 -0.296 7.010 -0.544 1.00 0.00 C ATOM 431 CD1 LEU A 30 -1.137 8.001 0.244 1.00 0.00 C ATOM 432 CD2 LEU A 30 0.108 7.599 -1.887 1.00 0.00 C ATOM 0 H LEU A 30 0.027 4.430 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 30 2.174 5.854 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.617 6.258 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.556 7.487 0.414 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.898 6.120 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.013 8.281 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.457 7.543 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.545 8.891 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.785 7.884 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.732 8.478 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.668 6.857 -2.456 1.00 0.00 H new ATOM 444 N LEU A 31 2.818 4.443 1.562 1.00 0.00 N ATOM 445 CA LEU A 31 3.891 4.102 2.489 1.00 0.00 C ATOM 446 C LEU A 31 5.095 3.534 1.744 1.00 0.00 C ATOM 447 O LEU A 31 6.239 3.894 2.025 1.00 0.00 O ATOM 448 CB LEU A 31 3.395 3.091 3.525 1.00 0.00 C ATOM 449 CG LEU A 31 2.096 3.452 4.246 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.630 2.295 5.117 1.00 0.00 C ATOM 451 CD2 LEU A 31 2.283 4.710 5.083 1.00 0.00 C ATOM 0 H LEU A 31 1.917 4.020 1.786 1.00 0.00 H new ATOM 0 HA LEU A 31 4.200 5.014 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.257 2.130 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.176 2.954 4.273 1.00 0.00 H new ATOM 0 HG LEU A 31 1.329 3.648 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.704 2.570 5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.457 1.418 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.395 2.067 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.349 4.952 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.064 4.541 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.570 5.538 4.436 1.00 0.00 H new ATOM 463 N HIS A 32 4.830 2.647 0.790 1.00 0.00 N ATOM 464 CA HIS A 32 5.891 2.031 0.002 1.00 0.00 C ATOM 465 C HIS A 32 6.783 3.095 -0.632 1.00 0.00 C ATOM 466 O HIS A 32 8.007 3.051 -0.504 1.00 0.00 O ATOM 467 CB HIS A 32 5.295 1.136 -1.084 1.00 0.00 C ATOM 468 CG HIS A 32 4.793 -0.178 -0.569 1.00 0.00 C ATOM 469 ND1 HIS A 32 5.525 -0.984 0.278 1.00 0.00 N ATOM 470 CD2 HIS A 32 3.623 -0.824 -0.783 1.00 0.00 C ATOM 471 CE1 HIS A 32 4.827 -2.069 0.560 1.00 0.00 C ATOM 472 NE2 HIS A 32 3.669 -1.997 -0.070 1.00 0.00 N ATOM 0 H HIS A 32 3.889 2.339 0.544 1.00 0.00 H new ATOM 0 HA HIS A 32 6.500 1.422 0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.474 1.664 -1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.051 0.953 -1.848 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.459 -0.775 0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.805 -0.481 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.149 -2.879 1.198 1.00 0.00 H new ATOM 480 N THR A 33 6.162 4.050 -1.317 1.00 0.00 N ATOM 481 CA THR A 33 6.899 5.123 -1.973 1.00 0.00 C ATOM 482 C THR A 33 7.045 6.331 -1.054 1.00 0.00 C ATOM 483 O THR A 33 6.058 6.973 -0.697 1.00 0.00 O ATOM 484 CB THR A 33 6.208 5.564 -3.277 1.00 0.00 C ATOM 485 OG1 THR A 33 7.000 6.556 -3.939 1.00 0.00 O ATOM 486 CG2 THR A 33 4.822 6.122 -2.992 1.00 0.00 C ATOM 0 H THR A 33 5.150 4.102 -1.432 1.00 0.00 H new ATOM 0 HA THR A 33 7.887 4.729 -2.210 1.00 0.00 H new ATOM 0 HB THR A 33 6.106 4.691 -3.922 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.555 6.830 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.353 6.427 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.212 5.355 -2.514 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.906 6.984 -2.330 1.00 0.00 H new ATOM 494 N ALA A 34 8.282 6.635 -0.676 1.00 0.00 N ATOM 495 CA ALA A 34 8.556 7.768 0.199 1.00 0.00 C ATOM 496 C ALA A 34 8.577 9.075 -0.585 1.00 0.00 C ATOM 497 O ALA A 34 9.632 9.525 -1.032 1.00 0.00 O ATOM 498 CB ALA A 34 9.877 7.565 0.926 1.00 0.00 C ATOM 0 H ALA A 34 9.110 6.113 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 34 7.754 7.830 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.069 8.418 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.826 6.656 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.683 7.475 0.198 1.00 0.00 H new ATOM 504 N ASP A 35 7.405 9.679 -0.750 1.00 0.00 N ATOM 505 CA ASP A 35 7.289 10.936 -1.481 1.00 0.00 C ATOM 506 C ASP A 35 7.202 12.117 -0.521 1.00 0.00 C ATOM 507 O ASP A 35 8.029 13.027 -0.563 1.00 0.00 O ATOM 508 CB ASP A 35 6.060 10.909 -2.391 1.00 0.00 C ATOM 509 CG ASP A 35 6.241 11.757 -3.635 1.00 0.00 C ATOM 510 OD1 ASP A 35 7.058 12.701 -3.596 1.00 0.00 O ATOM 511 OD2 ASP A 35 5.567 11.475 -4.647 1.00 0.00 O ATOM 0 H ASP A 35 6.522 9.319 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 35 8.182 11.056 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.851 9.880 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.192 11.265 -1.835 1.00 0.00 H new ATOM 516 N GLY A 36 6.193 12.096 0.345 1.00 0.00 N ATOM 517 CA GLY A 36 6.016 13.172 1.303 1.00 0.00 C ATOM 518 C GLY A 36 6.954 13.054 2.487 1.00 0.00 C ATOM 519 O GLY A 36 7.614 12.026 2.629 1.00 0.00 O ATOM 0 H GLY A 36 5.496 11.354 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.182 14.128 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.986 13.172 1.658 1.00 0.00 H new TER 523 GLY A 36 HETATM 524 ZN ZN A 181 1.869 -3.057 0.029 1.00 0.00 ZN