USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=14 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 USER MOD Single : A 3 SER OG : rot 30:sc= 0.405 USER MOD Single : A 5 SER OG : rot -59:sc= 0.345 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc=-0.00467 F(o=-3.5!,f=-0.0047) USER MOD Single : A 14 MET CE :methyl 173:sc= -1.5 (180deg=-1.53) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0271) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= -0.0628 (180deg=-0.317) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0608 (180deg=-0.306) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 77:sc= 0.116 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 10:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.563 -15.288 -14.763 1.00 0.00 N ATOM 2 CA GLY A 1 5.017 -15.908 -13.531 1.00 0.00 C ATOM 3 C GLY A 1 3.959 -16.794 -12.904 1.00 0.00 C ATOM 4 O GLY A 1 4.034 -18.019 -12.993 1.00 0.00 O ATOM 0 H1 GLY A 1 5.322 -14.693 -15.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.314 -16.026 -15.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.727 -14.700 -14.568 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.909 -16.500 -13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.304 -15.132 -12.821 1.00 0.00 H new ATOM 8 N SER A 2 2.971 -16.173 -12.268 1.00 0.00 N ATOM 9 CA SER A 2 1.896 -16.915 -11.618 1.00 0.00 C ATOM 10 C SER A 2 0.589 -16.765 -12.391 1.00 0.00 C ATOM 11 O SER A 2 0.401 -15.802 -13.135 1.00 0.00 O ATOM 12 CB SER A 2 1.709 -16.428 -10.180 1.00 0.00 C ATOM 13 OG SER A 2 1.339 -15.061 -10.147 1.00 0.00 O ATOM 0 H SER A 2 2.892 -15.159 -12.189 1.00 0.00 H new ATOM 0 HA SER A 2 2.172 -17.969 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.943 -17.027 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.634 -16.571 -9.621 1.00 0.00 H new ATOM 0 HG SER A 2 1.224 -14.776 -9.217 1.00 0.00 H new ATOM 19 N SER A 3 -0.312 -17.725 -12.209 1.00 0.00 N ATOM 20 CA SER A 3 -1.601 -17.703 -12.891 1.00 0.00 C ATOM 21 C SER A 3 -2.748 -17.755 -11.887 1.00 0.00 C ATOM 22 O SER A 3 -2.842 -18.681 -11.082 1.00 0.00 O ATOM 23 CB SER A 3 -1.706 -18.879 -13.865 1.00 0.00 C ATOM 24 OG SER A 3 -1.742 -20.114 -13.171 1.00 0.00 O ATOM 0 H SER A 3 -0.173 -18.528 -11.595 1.00 0.00 H new ATOM 0 HA SER A 3 -1.673 -16.770 -13.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.605 -18.773 -14.472 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.857 -18.867 -14.548 1.00 0.00 H new ATOM 0 HG SER A 3 -2.163 -19.985 -12.296 1.00 0.00 H new ATOM 30 N GLY A 4 -3.621 -16.753 -11.942 1.00 0.00 N ATOM 31 CA GLY A 4 -4.750 -16.703 -11.033 1.00 0.00 C ATOM 32 C GLY A 4 -5.880 -15.841 -11.559 1.00 0.00 C ATOM 33 O GLY A 4 -5.726 -15.151 -12.567 1.00 0.00 O ATOM 0 H GLY A 4 -3.566 -15.976 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.119 -17.714 -10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.420 -16.315 -10.069 1.00 0.00 H new ATOM 37 N SER A 5 -7.021 -15.881 -10.877 1.00 0.00 N ATOM 38 CA SER A 5 -8.183 -15.101 -11.286 1.00 0.00 C ATOM 39 C SER A 5 -8.315 -13.838 -10.440 1.00 0.00 C ATOM 40 O SER A 5 -9.411 -13.475 -10.013 1.00 0.00 O ATOM 41 CB SER A 5 -9.455 -15.943 -11.167 1.00 0.00 C ATOM 42 OG SER A 5 -10.560 -15.284 -11.762 1.00 0.00 O ATOM 0 H SER A 5 -7.165 -16.445 -10.039 1.00 0.00 H new ATOM 0 HA SER A 5 -8.045 -14.807 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.302 -16.909 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.668 -16.140 -10.116 1.00 0.00 H new ATOM 0 HG SER A 5 -10.698 -14.418 -11.325 1.00 0.00 H new ATOM 48 N SER A 6 -7.189 -13.173 -10.201 1.00 0.00 N ATOM 49 CA SER A 6 -7.176 -11.953 -9.403 1.00 0.00 C ATOM 50 C SER A 6 -7.806 -10.795 -10.171 1.00 0.00 C ATOM 51 O SER A 6 -8.135 -10.923 -11.350 1.00 0.00 O ATOM 52 CB SER A 6 -5.744 -11.595 -9.003 1.00 0.00 C ATOM 53 OG SER A 6 -5.723 -10.826 -7.813 1.00 0.00 O ATOM 0 H SER A 6 -6.274 -13.459 -10.549 1.00 0.00 H new ATOM 0 HA SER A 6 -7.763 -12.131 -8.502 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.164 -12.507 -8.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.267 -11.037 -9.809 1.00 0.00 H new ATOM 0 HG SER A 6 -4.796 -10.612 -7.578 1.00 0.00 H new ATOM 59 N GLY A 7 -7.972 -9.664 -9.493 1.00 0.00 N ATOM 60 CA GLY A 7 -8.562 -8.499 -10.126 1.00 0.00 C ATOM 61 C GLY A 7 -9.636 -7.856 -9.270 1.00 0.00 C ATOM 62 O GLY A 7 -9.721 -6.630 -9.184 1.00 0.00 O ATOM 0 H GLY A 7 -7.708 -9.533 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.781 -7.768 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.991 -8.789 -11.085 1.00 0.00 H new ATOM 66 N LYS A 8 -10.460 -8.683 -8.637 1.00 0.00 N ATOM 67 CA LYS A 8 -11.535 -8.189 -7.784 1.00 0.00 C ATOM 68 C LYS A 8 -10.979 -7.618 -6.484 1.00 0.00 C ATOM 69 O LYS A 8 -11.147 -6.434 -6.192 1.00 0.00 O ATOM 70 CB LYS A 8 -12.527 -9.313 -7.477 1.00 0.00 C ATOM 71 CG LYS A 8 -13.493 -9.600 -8.614 1.00 0.00 C ATOM 72 CD LYS A 8 -14.090 -10.993 -8.500 1.00 0.00 C ATOM 73 CE LYS A 8 -13.201 -12.036 -9.159 1.00 0.00 C ATOM 74 NZ LYS A 8 -13.425 -12.107 -10.629 1.00 0.00 N ATOM 0 H LYS A 8 -10.404 -9.700 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.052 -7.392 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.972 -10.222 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.096 -9.050 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.292 -8.859 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.974 -9.503 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.230 -11.245 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.075 -11.007 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.156 -11.799 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.396 -13.012 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.800 -12.829 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.416 -12.358 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.215 -11.183 -11.057 1.00 0.00 H new ATOM 88 N THR A 9 -10.314 -8.467 -5.706 1.00 0.00 N ATOM 89 CA THR A 9 -9.733 -8.047 -4.438 1.00 0.00 C ATOM 90 C THR A 9 -8.458 -7.240 -4.657 1.00 0.00 C ATOM 91 O THR A 9 -7.556 -7.669 -5.377 1.00 0.00 O ATOM 92 CB THR A 9 -9.413 -9.256 -3.538 1.00 0.00 C ATOM 93 OG1 THR A 9 -10.554 -10.116 -3.450 1.00 0.00 O ATOM 94 CG2 THR A 9 -9.005 -8.801 -2.145 1.00 0.00 C ATOM 0 H THR A 9 -10.165 -9.450 -5.933 1.00 0.00 H new ATOM 0 HA THR A 9 -10.476 -7.421 -3.943 1.00 0.00 H new ATOM 0 HB THR A 9 -8.581 -9.802 -3.982 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.342 -10.883 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.784 -9.672 -1.528 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.119 -8.170 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.820 -8.234 -1.694 1.00 0.00 H new ATOM 102 N HIS A 10 -8.390 -6.069 -4.032 1.00 0.00 N ATOM 103 CA HIS A 10 -7.224 -5.202 -4.159 1.00 0.00 C ATOM 104 C HIS A 10 -6.001 -5.835 -3.501 1.00 0.00 C ATOM 105 O HIS A 10 -5.890 -5.867 -2.275 1.00 0.00 O ATOM 106 CB HIS A 10 -7.506 -3.837 -3.530 1.00 0.00 C ATOM 107 CG HIS A 10 -8.915 -3.368 -3.723 1.00 0.00 C ATOM 108 ND1 HIS A 10 -10.067 -3.758 -3.129 1.00 0.00 N flip ATOM 109 CD2 HIS A 10 -9.263 -2.381 -4.621 1.00 0.00 C flip ATOM 110 CE1 HIS A 10 -11.080 -3.006 -3.672 1.00 0.00 C flip ATOM 111 NE2 HIS A 10 -10.568 -2.183 -4.570 1.00 0.00 N flip ATOM 0 H HIS A 10 -9.128 -5.699 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.016 -5.069 -5.221 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.291 -3.887 -2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.825 -3.101 -3.958 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.165 -4.477 -2.412 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.576 -1.853 -5.265 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.125 -3.076 -3.408 1.00 0.00 H new ATOM 119 N LEU A 11 -5.088 -6.340 -4.323 1.00 0.00 N ATOM 120 CA LEU A 11 -3.874 -6.974 -3.822 1.00 0.00 C ATOM 121 C LEU A 11 -2.647 -6.119 -4.127 1.00 0.00 C ATOM 122 O LEU A 11 -2.441 -5.694 -5.264 1.00 0.00 O ATOM 123 CB LEU A 11 -3.708 -8.363 -4.440 1.00 0.00 C ATOM 124 CG LEU A 11 -2.305 -8.968 -4.364 1.00 0.00 C ATOM 125 CD1 LEU A 11 -1.993 -9.414 -2.944 1.00 0.00 C ATOM 126 CD2 LEU A 11 -2.175 -10.135 -5.332 1.00 0.00 C ATOM 0 H LEU A 11 -5.165 -6.323 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.965 -7.073 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.403 -9.043 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.003 -8.310 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.583 -8.203 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.991 -9.842 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.045 -8.556 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.719 -10.164 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.171 -10.553 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.906 -10.903 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.355 -9.786 -6.349 1.00 0.00 H new ATOM 138 N CYS A 12 -1.835 -5.873 -3.104 1.00 0.00 N ATOM 139 CA CYS A 12 -0.628 -5.071 -3.262 1.00 0.00 C ATOM 140 C CYS A 12 0.494 -5.894 -3.889 1.00 0.00 C ATOM 141 O CYS A 12 0.998 -6.839 -3.281 1.00 0.00 O ATOM 142 CB CYS A 12 -0.176 -4.520 -1.908 1.00 0.00 C ATOM 143 SG CYS A 12 1.106 -3.231 -2.021 1.00 0.00 S ATOM 0 H CYS A 12 -1.991 -6.218 -2.157 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.859 -4.239 -3.927 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.042 -4.112 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.203 -5.342 -1.301 1.00 0.00 H new ATOM 148 N ASP A 13 0.879 -5.529 -5.106 1.00 0.00 N ATOM 149 CA ASP A 13 1.942 -6.232 -5.815 1.00 0.00 C ATOM 150 C ASP A 13 3.311 -5.690 -5.418 1.00 0.00 C ATOM 151 O ASP A 13 4.223 -5.616 -6.241 1.00 0.00 O ATOM 152 CB ASP A 13 1.748 -6.103 -7.327 1.00 0.00 C ATOM 153 CG ASP A 13 2.379 -7.249 -8.092 1.00 0.00 C ATOM 154 OD1 ASP A 13 1.733 -8.311 -8.209 1.00 0.00 O ATOM 155 OD2 ASP A 13 3.520 -7.085 -8.572 1.00 0.00 O ATOM 0 H ASP A 13 0.471 -4.750 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 13 1.894 -7.285 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.682 -6.064 -7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.180 -5.162 -7.667 1.00 0.00 H new ATOM 160 N MET A 14 3.447 -5.311 -4.151 1.00 0.00 N ATOM 161 CA MET A 14 4.705 -4.776 -3.645 1.00 0.00 C ATOM 162 C MET A 14 5.128 -5.496 -2.368 1.00 0.00 C ATOM 163 O MET A 14 6.311 -5.769 -2.160 1.00 0.00 O ATOM 164 CB MET A 14 4.575 -3.275 -3.378 1.00 0.00 C ATOM 165 CG MET A 14 4.515 -2.436 -4.644 1.00 0.00 C ATOM 166 SD MET A 14 5.207 -0.786 -4.418 1.00 0.00 S ATOM 167 CE MET A 14 3.733 0.147 -4.014 1.00 0.00 C ATOM 0 H MET A 14 2.702 -5.365 -3.457 1.00 0.00 H new ATOM 0 HA MET A 14 5.471 -4.938 -4.403 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.675 -3.095 -2.790 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.421 -2.947 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.057 -2.947 -5.440 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.478 -2.349 -4.969 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.012 1.160 -3.725 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.077 0.185 -4.884 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.212 -0.336 -3.187 1.00 0.00 H new ATOM 177 N CYS A 15 4.155 -5.801 -1.517 1.00 0.00 N ATOM 178 CA CYS A 15 4.426 -6.489 -0.260 1.00 0.00 C ATOM 179 C CYS A 15 3.645 -7.797 -0.177 1.00 0.00 C ATOM 180 O CYS A 15 4.108 -8.773 0.413 1.00 0.00 O ATOM 181 CB CYS A 15 4.066 -5.591 0.925 1.00 0.00 C ATOM 182 SG CYS A 15 2.332 -5.031 0.934 1.00 0.00 S ATOM 0 H CYS A 15 3.171 -5.583 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 15 5.491 -6.719 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.267 -6.131 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.719 -4.718 0.917 1.00 0.00 H new ATOM 187 N GLY A 16 2.456 -7.810 -0.772 1.00 0.00 N ATOM 188 CA GLY A 16 1.629 -9.002 -0.754 1.00 0.00 C ATOM 189 C GLY A 16 0.493 -8.905 0.245 1.00 0.00 C ATOM 190 O GLY A 16 0.215 -9.857 0.975 1.00 0.00 O ATOM 0 H GLY A 16 2.051 -7.015 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.219 -9.171 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.248 -9.866 -0.513 1.00 0.00 H new ATOM 194 N LYS A 17 -0.165 -7.752 0.279 1.00 0.00 N ATOM 195 CA LYS A 17 -1.278 -7.532 1.196 1.00 0.00 C ATOM 196 C LYS A 17 -2.598 -7.439 0.437 1.00 0.00 C ATOM 197 O LYS A 17 -2.665 -6.850 -0.642 1.00 0.00 O ATOM 198 CB LYS A 17 -1.053 -6.254 2.007 1.00 0.00 C ATOM 199 CG LYS A 17 -0.050 -6.419 3.136 1.00 0.00 C ATOM 200 CD LYS A 17 -0.280 -5.401 4.240 1.00 0.00 C ATOM 201 CE LYS A 17 0.183 -5.928 5.589 1.00 0.00 C ATOM 202 NZ LYS A 17 -0.773 -6.920 6.155 1.00 0.00 N ATOM 0 H LYS A 17 0.053 -6.954 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.329 -8.382 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.708 -5.465 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.005 -5.925 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.126 -7.426 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.961 -6.310 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.254 -4.481 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.340 -5.150 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.164 -6.390 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.297 -5.096 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.495 -7.153 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.732 -6.517 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.761 -7.783 5.575 1.00 0.00 H new ATOM 216 N LYS A 18 -3.646 -8.023 1.008 1.00 0.00 N ATOM 217 CA LYS A 18 -4.965 -8.004 0.387 1.00 0.00 C ATOM 218 C LYS A 18 -5.889 -7.023 1.103 1.00 0.00 C ATOM 219 O LYS A 18 -5.945 -6.993 2.333 1.00 0.00 O ATOM 220 CB LYS A 18 -5.580 -9.405 0.404 1.00 0.00 C ATOM 221 CG LYS A 18 -5.277 -10.217 -0.844 1.00 0.00 C ATOM 222 CD LYS A 18 -5.488 -11.703 -0.607 1.00 0.00 C ATOM 223 CE LYS A 18 -5.857 -12.425 -1.893 1.00 0.00 C ATOM 224 NZ LYS A 18 -7.215 -12.047 -2.372 1.00 0.00 N ATOM 0 H LYS A 18 -3.607 -8.516 1.900 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.848 -7.678 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.211 -9.944 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.661 -9.317 0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.917 -9.883 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.247 -10.040 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.579 -12.139 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.277 -11.846 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.122 -12.192 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.817 -13.502 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.582 -12.791 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.852 -11.936 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.161 -11.150 -2.895 1.00 0.00 H new ATOM 238 N PHE A 19 -6.613 -6.224 0.326 1.00 0.00 N ATOM 239 CA PHE A 19 -7.535 -5.243 0.887 1.00 0.00 C ATOM 240 C PHE A 19 -8.923 -5.387 0.269 1.00 0.00 C ATOM 241 O PHE A 19 -9.074 -5.915 -0.833 1.00 0.00 O ATOM 242 CB PHE A 19 -7.007 -3.826 0.657 1.00 0.00 C ATOM 243 CG PHE A 19 -5.690 -3.561 1.329 1.00 0.00 C ATOM 244 CD1 PHE A 19 -5.644 -3.078 2.627 1.00 0.00 C ATOM 245 CD2 PHE A 19 -4.497 -3.796 0.663 1.00 0.00 C ATOM 246 CE1 PHE A 19 -4.434 -2.832 3.247 1.00 0.00 C ATOM 247 CE2 PHE A 19 -3.284 -3.552 1.279 1.00 0.00 C ATOM 248 CZ PHE A 19 -3.252 -3.071 2.573 1.00 0.00 C ATOM 0 H PHE A 19 -6.579 -6.237 -0.693 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.612 -5.425 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.900 -3.656 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.743 -3.109 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.565 -2.892 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.516 -4.174 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.412 -2.453 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.362 -3.737 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.305 -2.882 3.057 1.00 0.00 H new ATOM 258 N LYS A 20 -9.935 -4.914 0.988 1.00 0.00 N ATOM 259 CA LYS A 20 -11.312 -4.988 0.514 1.00 0.00 C ATOM 260 C LYS A 20 -11.845 -3.600 0.171 1.00 0.00 C ATOM 261 O LYS A 20 -13.053 -3.366 0.195 1.00 0.00 O ATOM 262 CB LYS A 20 -12.204 -5.642 1.572 1.00 0.00 C ATOM 263 CG LYS A 20 -11.875 -5.216 2.992 1.00 0.00 C ATOM 264 CD LYS A 20 -10.839 -6.131 3.623 1.00 0.00 C ATOM 265 CE LYS A 20 -10.442 -5.652 5.010 1.00 0.00 C ATOM 266 NZ LYS A 20 -9.807 -4.305 4.971 1.00 0.00 N ATOM 0 H LYS A 20 -9.827 -4.475 1.902 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.326 -5.597 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.245 -5.397 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.110 -6.725 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.503 -4.192 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.783 -5.223 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.237 -7.144 3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.956 -6.176 2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.324 -5.619 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.751 -6.367 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.312 -4.128 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.126 -4.265 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.539 -3.580 4.831 1.00 0.00 H new ATOM 280 N SER A 21 -10.936 -2.685 -0.148 1.00 0.00 N ATOM 281 CA SER A 21 -11.315 -1.319 -0.493 1.00 0.00 C ATOM 282 C SER A 21 -10.180 -0.610 -1.226 1.00 0.00 C ATOM 283 O SER A 21 -9.026 -1.034 -1.169 1.00 0.00 O ATOM 284 CB SER A 21 -11.690 -0.538 0.767 1.00 0.00 C ATOM 285 OG SER A 21 -12.113 0.776 0.446 1.00 0.00 O ATOM 0 H SER A 21 -9.932 -2.864 -0.175 1.00 0.00 H new ATOM 0 HA SER A 21 -12.180 -1.364 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.486 -1.060 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.833 -0.493 1.439 1.00 0.00 H new ATOM 0 HG SER A 21 -12.349 1.254 1.268 1.00 0.00 H new ATOM 291 N LYS A 22 -10.517 0.474 -1.916 1.00 0.00 N ATOM 292 CA LYS A 22 -9.529 1.246 -2.661 1.00 0.00 C ATOM 293 C LYS A 22 -8.772 2.195 -1.738 1.00 0.00 C ATOM 294 O LYS A 22 -7.553 2.103 -1.602 1.00 0.00 O ATOM 295 CB LYS A 22 -10.209 2.039 -3.780 1.00 0.00 C ATOM 296 CG LYS A 22 -10.769 1.166 -4.890 1.00 0.00 C ATOM 297 CD LYS A 22 -12.207 0.762 -4.611 1.00 0.00 C ATOM 298 CE LYS A 22 -13.158 1.937 -4.779 1.00 0.00 C ATOM 299 NZ LYS A 22 -14.372 1.793 -3.929 1.00 0.00 N ATOM 0 H LYS A 22 -11.468 0.838 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.816 0.549 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.017 2.633 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.490 2.738 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.718 1.703 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.154 0.273 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.498 -0.042 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.286 0.371 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.642 2.862 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.454 2.018 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.995 2.613 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.879 0.924 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.091 1.741 -2.929 1.00 0.00 H new ATOM 313 N GLY A 23 -9.504 3.107 -1.105 1.00 0.00 N ATOM 314 CA GLY A 23 -8.884 4.059 -0.202 1.00 0.00 C ATOM 315 C GLY A 23 -7.929 3.398 0.771 1.00 0.00 C ATOM 316 O GLY A 23 -6.831 3.900 1.015 1.00 0.00 O ATOM 0 H GLY A 23 -10.515 3.203 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.345 4.808 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.659 4.585 0.355 1.00 0.00 H new ATOM 320 N THR A 24 -8.348 2.268 1.333 1.00 0.00 N ATOM 321 CA THR A 24 -7.523 1.538 2.288 1.00 0.00 C ATOM 322 C THR A 24 -6.197 1.121 1.663 1.00 0.00 C ATOM 323 O THR A 24 -5.129 1.360 2.230 1.00 0.00 O ATOM 324 CB THR A 24 -8.248 0.284 2.812 1.00 0.00 C ATOM 325 OG1 THR A 24 -9.481 0.656 3.437 1.00 0.00 O ATOM 326 CG2 THR A 24 -7.376 -0.468 3.807 1.00 0.00 C ATOM 0 H THR A 24 -9.254 1.839 1.143 1.00 0.00 H new ATOM 0 HA THR A 24 -7.331 2.213 3.122 1.00 0.00 H new ATOM 0 HB THR A 24 -8.454 -0.371 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.936 -0.147 3.766 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.908 -1.350 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.450 -0.775 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.144 0.182 4.651 1.00 0.00 H new ATOM 334 N LEU A 25 -6.270 0.497 0.493 1.00 0.00 N ATOM 335 CA LEU A 25 -5.074 0.046 -0.210 1.00 0.00 C ATOM 336 C LEU A 25 -4.211 1.232 -0.630 1.00 0.00 C ATOM 337 O LEU A 25 -2.982 1.171 -0.572 1.00 0.00 O ATOM 338 CB LEU A 25 -5.460 -0.779 -1.439 1.00 0.00 C ATOM 339 CG LEU A 25 -4.419 -0.846 -2.557 1.00 0.00 C ATOM 340 CD1 LEU A 25 -3.298 -1.804 -2.185 1.00 0.00 C ATOM 341 CD2 LEU A 25 -5.070 -1.266 -3.867 1.00 0.00 C ATOM 0 H LEU A 25 -7.145 0.292 0.011 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.496 -0.578 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.681 -1.796 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.382 -0.369 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.991 0.148 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.566 -1.839 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.814 -1.460 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.709 -2.801 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.314 -1.308 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.525 -2.249 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.837 -0.542 -4.141 1.00 0.00 H new ATOM 353 N LYS A 26 -4.861 2.310 -1.053 1.00 0.00 N ATOM 354 CA LYS A 26 -4.155 3.512 -1.480 1.00 0.00 C ATOM 355 C LYS A 26 -3.327 4.092 -0.337 1.00 0.00 C ATOM 356 O LYS A 26 -2.115 4.269 -0.464 1.00 0.00 O ATOM 357 CB LYS A 26 -5.149 4.560 -1.985 1.00 0.00 C ATOM 358 CG LYS A 26 -4.506 5.894 -2.325 1.00 0.00 C ATOM 359 CD LYS A 26 -5.546 6.930 -2.719 1.00 0.00 C ATOM 360 CE LYS A 26 -5.812 6.910 -4.217 1.00 0.00 C ATOM 361 NZ LYS A 26 -7.181 7.396 -4.543 1.00 0.00 N ATOM 0 H LYS A 26 -5.877 2.376 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.481 3.238 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.654 4.173 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.915 4.718 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.939 6.255 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.797 5.760 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.474 6.738 -2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.204 7.922 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.075 7.532 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.687 5.895 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.324 7.367 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.885 6.787 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.292 8.373 -4.205 1.00 0.00 H new ATOM 375 N SER A 27 -3.988 4.383 0.778 1.00 0.00 N ATOM 376 CA SER A 27 -3.312 4.945 1.943 1.00 0.00 C ATOM 377 C SER A 27 -2.118 4.084 2.345 1.00 0.00 C ATOM 378 O SER A 27 -1.137 4.583 2.897 1.00 0.00 O ATOM 379 CB SER A 27 -4.287 5.065 3.115 1.00 0.00 C ATOM 380 OG SER A 27 -5.331 5.976 2.819 1.00 0.00 O ATOM 0 H SER A 27 -4.990 4.239 0.900 1.00 0.00 H new ATOM 0 HA SER A 27 -2.949 5.938 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.708 4.086 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.752 5.397 4.005 1.00 0.00 H new ATOM 0 HG SER A 27 -5.982 5.546 2.226 1.00 0.00 H new ATOM 386 N HIS A 28 -2.209 2.788 2.064 1.00 0.00 N ATOM 387 CA HIS A 28 -1.137 1.857 2.396 1.00 0.00 C ATOM 388 C HIS A 28 0.008 1.967 1.393 1.00 0.00 C ATOM 389 O HIS A 28 1.175 2.058 1.774 1.00 0.00 O ATOM 390 CB HIS A 28 -1.668 0.424 2.426 1.00 0.00 C ATOM 391 CG HIS A 28 -0.604 -0.614 2.241 1.00 0.00 C ATOM 392 ND1 HIS A 28 0.240 -1.015 3.255 1.00 0.00 N ATOM 393 CD2 HIS A 28 -0.251 -1.335 1.152 1.00 0.00 C ATOM 394 CE1 HIS A 28 1.068 -1.937 2.797 1.00 0.00 C ATOM 395 NE2 HIS A 28 0.791 -2.149 1.523 1.00 0.00 N ATOM 0 H HIS A 28 -3.014 2.359 1.607 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.757 2.116 3.384 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.170 0.252 3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.418 0.307 1.644 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.227 -0.656 4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.704 -1.281 0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.840 -2.433 3.367 1.00 0.00 H new ATOM 403 N LYS A 29 -0.334 1.957 0.109 1.00 0.00 N ATOM 404 CA LYS A 29 0.663 2.056 -0.950 1.00 0.00 C ATOM 405 C LYS A 29 1.611 3.224 -0.697 1.00 0.00 C ATOM 406 O LYS A 29 2.831 3.078 -0.789 1.00 0.00 O ATOM 407 CB LYS A 29 -0.020 2.224 -2.308 1.00 0.00 C ATOM 408 CG LYS A 29 -0.464 0.913 -2.933 1.00 0.00 C ATOM 409 CD LYS A 29 -1.181 1.139 -4.254 1.00 0.00 C ATOM 410 CE LYS A 29 -1.272 -0.145 -5.065 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.230 -0.018 -6.197 1.00 0.00 N ATOM 0 H LYS A 29 -1.295 1.881 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 29 1.244 1.134 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.888 2.873 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.665 2.728 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.404 0.273 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.125 0.386 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.183 1.523 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.653 1.898 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.285 -0.402 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.583 -0.963 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.264 -0.913 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.177 0.202 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.920 0.746 -6.830 1.00 0.00 H new ATOM 425 N LEU A 30 1.043 4.381 -0.377 1.00 0.00 N ATOM 426 CA LEU A 30 1.838 5.575 -0.109 1.00 0.00 C ATOM 427 C LEU A 30 3.089 5.228 0.692 1.00 0.00 C ATOM 428 O LEU A 30 4.163 5.783 0.458 1.00 0.00 O ATOM 429 CB LEU A 30 1.003 6.608 0.649 1.00 0.00 C ATOM 430 CG LEU A 30 -0.067 7.335 -0.166 1.00 0.00 C ATOM 431 CD1 LEU A 30 -0.981 8.136 0.748 1.00 0.00 C ATOM 432 CD2 LEU A 30 0.577 8.240 -1.206 1.00 0.00 C ATOM 0 H LEU A 30 0.035 4.518 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 30 2.147 5.998 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.516 6.108 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.678 7.353 1.071 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.669 6.590 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.736 8.647 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.470 7.464 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.393 8.872 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.200 8.749 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.204 8.979 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.189 7.641 -1.881 1.00 0.00 H new ATOM 444 N LEU A 31 2.943 4.305 1.637 1.00 0.00 N ATOM 445 CA LEU A 31 4.061 3.882 2.472 1.00 0.00 C ATOM 446 C LEU A 31 5.238 3.425 1.616 1.00 0.00 C ATOM 447 O LEU A 31 6.385 3.794 1.870 1.00 0.00 O ATOM 448 CB LEU A 31 3.626 2.751 3.406 1.00 0.00 C ATOM 449 CG LEU A 31 2.445 3.058 4.328 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.904 1.779 4.947 1.00 0.00 C ATOM 451 CD2 LEU A 31 2.857 4.045 5.411 1.00 0.00 C ATOM 0 H LEU A 31 2.061 3.836 1.844 1.00 0.00 H new ATOM 0 HA LEU A 31 4.380 4.736 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.370 1.883 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.479 2.468 4.023 1.00 0.00 H new ATOM 0 HG LEU A 31 1.652 3.512 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.064 2.018 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.570 1.106 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.689 1.296 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.005 4.252 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.667 3.618 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.195 4.972 4.949 1.00 0.00 H new ATOM 463 N HIS A 32 4.946 2.621 0.598 1.00 0.00 N ATOM 464 CA HIS A 32 5.980 2.116 -0.298 1.00 0.00 C ATOM 465 C HIS A 32 6.707 3.265 -0.990 1.00 0.00 C ATOM 466 O HIS A 32 7.937 3.299 -1.033 1.00 0.00 O ATOM 467 CB HIS A 32 5.367 1.182 -1.343 1.00 0.00 C ATOM 468 CG HIS A 32 4.973 -0.154 -0.793 1.00 0.00 C ATOM 469 ND1 HIS A 32 5.881 -1.054 -0.278 1.00 0.00 N ATOM 470 CD2 HIS A 32 3.758 -0.741 -0.678 1.00 0.00 C ATOM 471 CE1 HIS A 32 5.243 -2.138 0.128 1.00 0.00 C ATOM 472 NE2 HIS A 32 3.953 -1.972 -0.103 1.00 0.00 N ATOM 0 H HIS A 32 4.002 2.306 0.373 1.00 0.00 H new ATOM 0 HA HIS A 32 6.702 1.558 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.489 1.661 -1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.082 1.036 -2.152 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.889 -0.906 -0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.812 -0.319 -0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.699 -3.010 0.573 1.00 0.00 H new ATOM 480 N THR A 33 5.939 4.204 -1.533 1.00 0.00 N ATOM 481 CA THR A 33 6.510 5.353 -2.224 1.00 0.00 C ATOM 482 C THR A 33 7.089 6.358 -1.235 1.00 0.00 C ATOM 483 O THR A 33 6.357 6.977 -0.464 1.00 0.00 O ATOM 484 CB THR A 33 5.459 6.060 -3.101 1.00 0.00 C ATOM 485 OG1 THR A 33 4.311 6.396 -2.314 1.00 0.00 O ATOM 486 CG2 THR A 33 5.041 5.175 -4.265 1.00 0.00 C ATOM 0 H THR A 33 4.919 4.191 -1.508 1.00 0.00 H new ATOM 0 HA THR A 33 7.309 4.974 -2.861 1.00 0.00 H new ATOM 0 HB THR A 33 5.905 6.971 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.510 6.250 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.298 5.696 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.912 4.945 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.612 4.249 -3.882 1.00 0.00 H new ATOM 494 N ALA A 34 8.409 6.516 -1.264 1.00 0.00 N ATOM 495 CA ALA A 34 9.086 7.449 -0.372 1.00 0.00 C ATOM 496 C ALA A 34 8.590 8.874 -0.588 1.00 0.00 C ATOM 497 O ALA A 34 8.509 9.348 -1.722 1.00 0.00 O ATOM 498 CB ALA A 34 10.592 7.375 -0.576 1.00 0.00 C ATOM 0 H ALA A 34 9.030 6.010 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 34 8.855 7.164 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.085 8.077 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.939 6.364 -0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.832 7.631 -1.608 1.00 0.00 H new ATOM 504 N ASP A 35 8.260 9.553 0.505 1.00 0.00 N ATOM 505 CA ASP A 35 7.772 10.925 0.434 1.00 0.00 C ATOM 506 C ASP A 35 8.459 11.801 1.477 1.00 0.00 C ATOM 507 O ASP A 35 8.846 11.325 2.544 1.00 0.00 O ATOM 508 CB ASP A 35 6.257 10.962 0.638 1.00 0.00 C ATOM 509 CG ASP A 35 5.497 10.466 -0.576 1.00 0.00 C ATOM 510 OD1 ASP A 35 5.677 11.046 -1.667 1.00 0.00 O ATOM 511 OD2 ASP A 35 4.722 9.497 -0.436 1.00 0.00 O ATOM 0 H ASP A 35 8.322 9.176 1.451 1.00 0.00 H new ATOM 0 HA ASP A 35 8.007 11.317 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.995 10.351 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.949 11.983 0.864 1.00 0.00 H new ATOM 516 N GLY A 36 8.609 13.083 1.160 1.00 0.00 N ATOM 517 CA GLY A 36 9.252 14.004 2.080 1.00 0.00 C ATOM 518 C GLY A 36 8.809 13.795 3.514 1.00 0.00 C ATOM 519 O GLY A 36 8.462 14.767 4.182 1.00 0.00 O ATOM 0 H GLY A 36 8.297 13.501 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.333 13.881 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.029 15.028 1.780 1.00 0.00 H new TER 523 GLY A 36 HETATM 524 ZN ZN A 181 2.080 -2.892 0.112 1.00 0.00 ZN