USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.0986 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0241) USER MOD Single : A 9 THR OG1 : rot -16:sc= 0.832 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -9.57! C(o=-10!,f=-9.6!) USER MOD Single : A 14 MET CE :methyl 170:sc= 0 (180deg=-0.223) USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= 0.74 (180deg=-0.478) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 3:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.965 -14.465 -5.433 1.00 0.00 N ATOM 2 CA GLY A 1 5.400 -14.576 -6.765 1.00 0.00 C ATOM 3 C GLY A 1 5.030 -13.229 -7.352 1.00 0.00 C ATOM 4 O GLY A 1 4.425 -12.396 -6.679 1.00 0.00 O ATOM 0 H1 GLY A 1 6.201 -15.413 -5.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.827 -13.884 -5.469 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.273 -14.019 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.117 -15.070 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.513 -15.209 -6.729 1.00 0.00 H new ATOM 8 N SER A 2 5.396 -13.013 -8.612 1.00 0.00 N ATOM 9 CA SER A 2 5.103 -11.755 -9.289 1.00 0.00 C ATOM 10 C SER A 2 3.947 -11.922 -10.271 1.00 0.00 C ATOM 11 O SER A 2 2.918 -11.258 -10.153 1.00 0.00 O ATOM 12 CB SER A 2 6.344 -11.247 -10.025 1.00 0.00 C ATOM 13 OG SER A 2 6.303 -9.839 -10.183 1.00 0.00 O ATOM 0 H SER A 2 5.896 -13.693 -9.184 1.00 0.00 H new ATOM 0 HA SER A 2 4.812 -11.024 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.240 -11.528 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.411 -11.724 -11.003 1.00 0.00 H new ATOM 0 HG SER A 2 7.108 -9.539 -10.655 1.00 0.00 H new ATOM 19 N SER A 3 4.126 -12.815 -11.239 1.00 0.00 N ATOM 20 CA SER A 3 3.101 -13.068 -12.244 1.00 0.00 C ATOM 21 C SER A 3 2.319 -14.336 -11.916 1.00 0.00 C ATOM 22 O SER A 3 2.621 -15.414 -12.426 1.00 0.00 O ATOM 23 CB SER A 3 3.736 -13.192 -13.631 1.00 0.00 C ATOM 24 OG SER A 3 4.461 -12.021 -13.966 1.00 0.00 O ATOM 0 H SER A 3 4.971 -13.375 -11.348 1.00 0.00 H new ATOM 0 HA SER A 3 2.410 -12.225 -12.242 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.402 -14.055 -13.654 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.960 -13.368 -14.376 1.00 0.00 H new ATOM 0 HG SER A 3 4.858 -12.126 -14.856 1.00 0.00 H new ATOM 30 N GLY A 4 1.312 -14.198 -11.059 1.00 0.00 N ATOM 31 CA GLY A 4 0.501 -15.339 -10.676 1.00 0.00 C ATOM 32 C GLY A 4 -0.967 -15.141 -10.995 1.00 0.00 C ATOM 33 O GLY A 4 -1.316 -14.670 -12.078 1.00 0.00 O ATOM 0 H GLY A 4 1.043 -13.316 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.865 -16.228 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.616 -15.520 -9.607 1.00 0.00 H new ATOM 37 N SER A 5 -1.830 -15.501 -10.051 1.00 0.00 N ATOM 38 CA SER A 5 -3.270 -15.366 -10.240 1.00 0.00 C ATOM 39 C SER A 5 -3.808 -14.163 -9.471 1.00 0.00 C ATOM 40 O SER A 5 -3.165 -13.666 -8.545 1.00 0.00 O ATOM 41 CB SER A 5 -3.987 -16.638 -9.785 1.00 0.00 C ATOM 42 OG SER A 5 -4.047 -17.592 -10.832 1.00 0.00 O ATOM 0 H SER A 5 -1.558 -15.888 -9.148 1.00 0.00 H new ATOM 0 HA SER A 5 -3.459 -15.211 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.467 -17.066 -8.928 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.996 -16.392 -9.455 1.00 0.00 H new ATOM 0 HG SER A 5 -4.508 -18.397 -10.515 1.00 0.00 H new ATOM 48 N SER A 6 -4.991 -13.700 -9.861 1.00 0.00 N ATOM 49 CA SER A 6 -5.615 -12.552 -9.211 1.00 0.00 C ATOM 50 C SER A 6 -7.133 -12.699 -9.190 1.00 0.00 C ATOM 51 O SER A 6 -7.709 -13.424 -10.000 1.00 0.00 O ATOM 52 CB SER A 6 -5.226 -11.259 -9.930 1.00 0.00 C ATOM 53 OG SER A 6 -3.972 -10.780 -9.476 1.00 0.00 O ATOM 0 H SER A 6 -5.537 -14.101 -10.623 1.00 0.00 H new ATOM 0 HA SER A 6 -5.257 -12.509 -8.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.184 -11.436 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.991 -10.501 -9.761 1.00 0.00 H new ATOM 0 HG SER A 6 -3.455 -11.522 -9.099 1.00 0.00 H new ATOM 59 N GLY A 7 -7.776 -12.005 -8.256 1.00 0.00 N ATOM 60 CA GLY A 7 -9.221 -12.072 -8.145 1.00 0.00 C ATOM 61 C GLY A 7 -9.862 -10.699 -8.092 1.00 0.00 C ATOM 62 O GLY A 7 -9.390 -9.760 -8.732 1.00 0.00 O ATOM 0 H GLY A 7 -7.322 -11.397 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.622 -12.625 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.488 -12.629 -7.247 1.00 0.00 H new ATOM 66 N LYS A 8 -10.942 -10.582 -7.327 1.00 0.00 N ATOM 67 CA LYS A 8 -11.650 -9.314 -7.192 1.00 0.00 C ATOM 68 C LYS A 8 -11.377 -8.680 -5.832 1.00 0.00 C ATOM 69 O LYS A 8 -12.272 -8.572 -4.994 1.00 0.00 O ATOM 70 CB LYS A 8 -13.155 -9.525 -7.375 1.00 0.00 C ATOM 71 CG LYS A 8 -13.745 -10.552 -6.423 1.00 0.00 C ATOM 72 CD LYS A 8 -13.704 -11.950 -7.016 1.00 0.00 C ATOM 73 CE LYS A 8 -14.966 -12.258 -7.807 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.123 -12.549 -6.915 1.00 0.00 N ATOM 0 H LYS A 8 -11.346 -11.350 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.286 -8.639 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.667 -8.573 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.347 -9.840 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.193 -10.538 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.776 -10.284 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.834 -12.045 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.587 -12.682 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.207 -11.412 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.786 -13.113 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.914 -12.917 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.845 -13.258 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.419 -11.676 -6.434 1.00 0.00 H new ATOM 88 N THR A 9 -10.133 -8.260 -5.619 1.00 0.00 N ATOM 89 CA THR A 9 -9.742 -7.636 -4.362 1.00 0.00 C ATOM 90 C THR A 9 -8.421 -6.891 -4.505 1.00 0.00 C ATOM 91 O THR A 9 -7.420 -7.459 -4.944 1.00 0.00 O ATOM 92 CB THR A 9 -9.610 -8.678 -3.235 1.00 0.00 C ATOM 93 OG1 THR A 9 -10.856 -9.361 -3.051 1.00 0.00 O ATOM 94 CG2 THR A 9 -9.192 -8.016 -1.931 1.00 0.00 C ATOM 0 H THR A 9 -9.380 -8.341 -6.302 1.00 0.00 H new ATOM 0 HA THR A 9 -10.529 -6.928 -4.103 1.00 0.00 H new ATOM 0 HB THR A 9 -8.841 -9.395 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.572 -8.860 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.106 -8.772 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.230 -7.522 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.941 -7.279 -1.641 1.00 0.00 H new ATOM 102 N HIS A 10 -8.423 -5.614 -4.134 1.00 0.00 N ATOM 103 CA HIS A 10 -7.222 -4.791 -4.220 1.00 0.00 C ATOM 104 C HIS A 10 -6.047 -5.468 -3.521 1.00 0.00 C ATOM 105 O HIS A 10 -5.996 -5.532 -2.292 1.00 0.00 O ATOM 106 CB HIS A 10 -7.476 -3.416 -3.601 1.00 0.00 C ATOM 107 CG HIS A 10 -8.849 -2.881 -3.871 1.00 0.00 C ATOM 108 ND1 HIS A 10 -9.973 -2.909 -3.118 1.00 0.00 N flip ATOM 109 CD2 HIS A 10 -9.186 -2.227 -5.037 1.00 0.00 C flip ATOM 110 CE1 HIS A 10 -10.959 -2.276 -3.835 1.00 0.00 C flip ATOM 111 NE2 HIS A 10 -10.458 -1.874 -4.989 1.00 0.00 N flip ATOM 0 H HIS A 10 -9.243 -5.127 -3.771 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.971 -4.667 -5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.325 -3.478 -2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.739 -2.712 -3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.515 -2.034 -5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.978 -2.131 -3.508 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.967 -1.376 -5.719 1.00 0.00 H new ATOM 119 N LEU A 11 -5.105 -5.971 -4.311 1.00 0.00 N ATOM 120 CA LEU A 11 -3.931 -6.644 -3.768 1.00 0.00 C ATOM 121 C LEU A 11 -2.672 -5.814 -4.000 1.00 0.00 C ATOM 122 O LEU A 11 -2.523 -5.169 -5.039 1.00 0.00 O ATOM 123 CB LEU A 11 -3.770 -8.025 -4.406 1.00 0.00 C ATOM 124 CG LEU A 11 -2.378 -8.651 -4.309 1.00 0.00 C ATOM 125 CD1 LEU A 11 -2.115 -9.151 -2.897 1.00 0.00 C ATOM 126 CD2 LEU A 11 -2.232 -9.784 -5.314 1.00 0.00 C ATOM 0 H LEU A 11 -5.131 -5.925 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.074 -6.761 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.485 -8.704 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.040 -7.950 -5.459 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.639 -7.885 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.120 -9.593 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.177 -8.317 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.859 -9.902 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.236 -10.218 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.980 -10.550 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.376 -9.397 -6.323 1.00 0.00 H new ATOM 138 N CYS A 12 -1.767 -5.837 -3.028 1.00 0.00 N ATOM 139 CA CYS A 12 -0.519 -5.089 -3.126 1.00 0.00 C ATOM 140 C CYS A 12 0.636 -6.006 -3.518 1.00 0.00 C ATOM 141 O CYS A 12 1.173 -6.736 -2.684 1.00 0.00 O ATOM 142 CB CYS A 12 -0.208 -4.399 -1.796 1.00 0.00 C ATOM 143 SG CYS A 12 0.986 -3.030 -1.931 1.00 0.00 S ATOM 0 H CYS A 12 -1.874 -6.366 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.638 -4.332 -3.901 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.136 -4.017 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.181 -5.139 -1.097 1.00 0.00 H new ATOM 148 N ASP A 13 1.012 -5.964 -4.791 1.00 0.00 N ATOM 149 CA ASP A 13 2.103 -6.789 -5.295 1.00 0.00 C ATOM 150 C ASP A 13 3.434 -6.363 -4.681 1.00 0.00 C ATOM 151 O ASP A 13 4.409 -7.114 -4.707 1.00 0.00 O ATOM 152 CB ASP A 13 2.178 -6.699 -6.819 1.00 0.00 C ATOM 153 CG ASP A 13 0.954 -7.285 -7.495 1.00 0.00 C ATOM 154 OD1 ASP A 13 -0.095 -7.398 -6.826 1.00 0.00 O ATOM 155 OD2 ASP A 13 1.044 -7.631 -8.692 1.00 0.00 O ATOM 0 H ASP A 13 0.577 -5.366 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 13 1.906 -7.822 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.287 -5.655 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.068 -7.223 -7.168 1.00 0.00 H new ATOM 160 N MET A 14 3.466 -5.153 -4.133 1.00 0.00 N ATOM 161 CA MET A 14 4.677 -4.628 -3.513 1.00 0.00 C ATOM 162 C MET A 14 5.083 -5.472 -2.309 1.00 0.00 C ATOM 163 O MET A 14 6.240 -5.873 -2.181 1.00 0.00 O ATOM 164 CB MET A 14 4.467 -3.175 -3.084 1.00 0.00 C ATOM 165 CG MET A 14 4.577 -2.181 -4.229 1.00 0.00 C ATOM 166 SD MET A 14 3.173 -2.265 -5.358 1.00 0.00 S ATOM 167 CE MET A 14 2.450 -0.644 -5.122 1.00 0.00 C ATOM 0 H MET A 14 2.668 -4.518 -4.106 1.00 0.00 H new ATOM 0 HA MET A 14 5.479 -4.670 -4.250 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.484 -3.079 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.202 -2.920 -2.321 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.652 -1.172 -3.823 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.496 -2.371 -4.783 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.682 -0.475 -5.876 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.003 -0.586 -4.130 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.225 0.117 -5.216 1.00 0.00 H new ATOM 177 N CYS A 15 4.123 -5.739 -1.430 1.00 0.00 N ATOM 178 CA CYS A 15 4.380 -6.535 -0.235 1.00 0.00 C ATOM 179 C CYS A 15 3.548 -7.814 -0.245 1.00 0.00 C ATOM 180 O CYS A 15 4.028 -8.883 0.130 1.00 0.00 O ATOM 181 CB CYS A 15 4.069 -5.721 1.022 1.00 0.00 C ATOM 182 SG CYS A 15 2.363 -5.086 1.094 1.00 0.00 S ATOM 0 H CYS A 15 3.160 -5.416 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 15 5.435 -6.808 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.251 -6.343 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.761 -4.880 1.078 1.00 0.00 H new ATOM 187 N GLY A 16 2.296 -7.696 -0.678 1.00 0.00 N ATOM 188 CA GLY A 16 1.417 -8.850 -0.728 1.00 0.00 C ATOM 189 C GLY A 16 0.249 -8.731 0.231 1.00 0.00 C ATOM 190 O GLY A 16 -0.165 -9.717 0.841 1.00 0.00 O ATOM 0 H GLY A 16 1.875 -6.822 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.039 -8.971 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.988 -9.748 -0.491 1.00 0.00 H new ATOM 194 N LYS A 17 -0.283 -7.521 0.367 1.00 0.00 N ATOM 195 CA LYS A 17 -1.409 -7.276 1.259 1.00 0.00 C ATOM 196 C LYS A 17 -2.720 -7.228 0.480 1.00 0.00 C ATOM 197 O LYS A 17 -2.769 -6.722 -0.641 1.00 0.00 O ATOM 198 CB LYS A 17 -1.207 -5.964 2.021 1.00 0.00 C ATOM 199 CG LYS A 17 -0.302 -6.097 3.233 1.00 0.00 C ATOM 200 CD LYS A 17 -0.674 -5.101 4.319 1.00 0.00 C ATOM 201 CE LYS A 17 -1.701 -5.681 5.279 1.00 0.00 C ATOM 202 NZ LYS A 17 -3.095 -5.406 4.833 1.00 0.00 N ATOM 0 H LYS A 17 0.048 -6.694 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.461 -8.099 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.786 -5.221 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.178 -5.587 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.369 -7.110 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.734 -5.940 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.220 -4.813 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.072 -4.195 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.552 -6.758 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.548 -5.260 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.662 -5.086 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.086 -4.666 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.512 -6.274 4.441 1.00 0.00 H new ATOM 216 N LYS A 18 -3.780 -7.756 1.082 1.00 0.00 N ATOM 217 CA LYS A 18 -5.093 -7.771 0.447 1.00 0.00 C ATOM 218 C LYS A 18 -6.031 -6.770 1.113 1.00 0.00 C ATOM 219 O LYS A 18 -6.130 -6.718 2.339 1.00 0.00 O ATOM 220 CB LYS A 18 -5.697 -9.175 0.512 1.00 0.00 C ATOM 221 CG LYS A 18 -5.373 -10.034 -0.698 1.00 0.00 C ATOM 222 CD LYS A 18 -5.606 -11.508 -0.414 1.00 0.00 C ATOM 223 CE LYS A 18 -5.190 -12.375 -1.593 1.00 0.00 C ATOM 224 NZ LYS A 18 -5.398 -13.824 -1.317 1.00 0.00 N ATOM 0 H LYS A 18 -3.756 -8.180 2.010 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.968 -7.484 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.335 -9.676 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.780 -9.091 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.989 -9.723 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.334 -9.878 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.043 -11.802 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.660 -11.675 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.762 -12.088 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.140 -12.196 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.103 -14.381 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.832 -14.105 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.405 -13.999 -1.123 1.00 0.00 H new ATOM 238 N PHE A 19 -6.720 -5.978 0.298 1.00 0.00 N ATOM 239 CA PHE A 19 -7.651 -4.979 0.809 1.00 0.00 C ATOM 240 C PHE A 19 -9.000 -5.083 0.104 1.00 0.00 C ATOM 241 O PHE A 19 -9.068 -5.326 -1.101 1.00 0.00 O ATOM 242 CB PHE A 19 -7.075 -3.573 0.627 1.00 0.00 C ATOM 243 CG PHE A 19 -5.740 -3.382 1.289 1.00 0.00 C ATOM 244 CD1 PHE A 19 -4.582 -3.854 0.692 1.00 0.00 C ATOM 245 CD2 PHE A 19 -5.644 -2.732 2.509 1.00 0.00 C ATOM 246 CE1 PHE A 19 -3.352 -3.680 1.298 1.00 0.00 C ATOM 247 CE2 PHE A 19 -4.416 -2.554 3.119 1.00 0.00 C ATOM 248 CZ PHE A 19 -3.270 -3.030 2.514 1.00 0.00 C ATOM 0 H PHE A 19 -6.651 -6.009 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.800 -5.168 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.977 -3.364 -0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.779 -2.845 1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.641 -4.364 -0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.538 -2.361 2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.457 -4.052 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.353 -2.043 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.311 -2.894 2.991 1.00 0.00 H new ATOM 258 N LYS A 20 -10.074 -4.897 0.865 1.00 0.00 N ATOM 259 CA LYS A 20 -11.423 -4.968 0.315 1.00 0.00 C ATOM 260 C LYS A 20 -11.738 -3.730 -0.517 1.00 0.00 C ATOM 261 O LYS A 20 -12.448 -3.808 -1.519 1.00 0.00 O ATOM 262 CB LYS A 20 -12.448 -5.112 1.443 1.00 0.00 C ATOM 263 CG LYS A 20 -12.433 -3.957 2.429 1.00 0.00 C ATOM 264 CD LYS A 20 -13.638 -3.999 3.354 1.00 0.00 C ATOM 265 CE LYS A 20 -13.536 -2.947 4.449 1.00 0.00 C ATOM 266 NZ LYS A 20 -14.007 -1.614 3.981 1.00 0.00 N ATOM 0 H LYS A 20 -10.036 -4.696 1.864 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.479 -5.843 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.444 -5.195 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.256 -6.040 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.518 -3.994 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.423 -3.013 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.548 -3.837 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.718 -4.988 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.127 -3.260 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.502 -2.870 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.922 -0.924 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.427 -1.304 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.002 -1.681 3.685 1.00 0.00 H new ATOM 280 N SER A 21 -11.203 -2.588 -0.096 1.00 0.00 N ATOM 281 CA SER A 21 -11.430 -1.332 -0.802 1.00 0.00 C ATOM 282 C SER A 21 -10.107 -0.698 -1.221 1.00 0.00 C ATOM 283 O SER A 21 -9.126 -0.730 -0.477 1.00 0.00 O ATOM 284 CB SER A 21 -12.216 -0.361 0.081 1.00 0.00 C ATOM 285 OG SER A 21 -12.576 0.806 -0.639 1.00 0.00 O ATOM 0 H SER A 21 -10.610 -2.507 0.730 1.00 0.00 H new ATOM 0 HA SER A 21 -12.010 -1.548 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.114 -0.852 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.616 -0.086 0.949 1.00 0.00 H new ATOM 0 HG SER A 21 -13.079 1.410 -0.053 1.00 0.00 H new ATOM 291 N LYS A 22 -10.087 -0.123 -2.419 1.00 0.00 N ATOM 292 CA LYS A 22 -8.886 0.519 -2.940 1.00 0.00 C ATOM 293 C LYS A 22 -8.463 1.684 -2.050 1.00 0.00 C ATOM 294 O LYS A 22 -7.274 1.955 -1.889 1.00 0.00 O ATOM 295 CB LYS A 22 -9.127 1.015 -4.367 1.00 0.00 C ATOM 296 CG LYS A 22 -10.331 1.931 -4.498 1.00 0.00 C ATOM 297 CD LYS A 22 -10.348 2.642 -5.841 1.00 0.00 C ATOM 298 CE LYS A 22 -11.764 3.007 -6.261 1.00 0.00 C ATOM 299 NZ LYS A 22 -12.306 4.138 -5.458 1.00 0.00 N ATOM 0 H LYS A 22 -10.890 -0.089 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.084 -0.219 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.239 1.544 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.262 0.155 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.246 1.350 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.317 2.668 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.740 3.545 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.896 2.002 -6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.772 3.275 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.412 2.138 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.272 4.357 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.322 3.873 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.702 4.975 -5.586 1.00 0.00 H new ATOM 313 N GLY A 23 -9.445 2.370 -1.473 1.00 0.00 N ATOM 314 CA GLY A 23 -9.154 3.496 -0.606 1.00 0.00 C ATOM 315 C GLY A 23 -8.243 3.120 0.546 1.00 0.00 C ATOM 316 O GLY A 23 -7.210 3.753 0.764 1.00 0.00 O ATOM 0 H GLY A 23 -10.437 2.166 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.688 4.289 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.087 3.897 -0.211 1.00 0.00 H new ATOM 320 N THR A 24 -8.628 2.087 1.290 1.00 0.00 N ATOM 321 CA THR A 24 -7.841 1.630 2.428 1.00 0.00 C ATOM 322 C THR A 24 -6.451 1.182 1.991 1.00 0.00 C ATOM 323 O THR A 24 -5.470 1.374 2.710 1.00 0.00 O ATOM 324 CB THR A 24 -8.536 0.467 3.160 1.00 0.00 C ATOM 325 OG1 THR A 24 -9.845 0.866 3.582 1.00 0.00 O ATOM 326 CG2 THR A 24 -7.722 0.023 4.367 1.00 0.00 C ATOM 0 H THR A 24 -9.480 1.552 1.124 1.00 0.00 H new ATOM 0 HA THR A 24 -7.749 2.476 3.109 1.00 0.00 H new ATOM 0 HB THR A 24 -8.617 -0.371 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.281 0.120 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.233 -0.799 4.868 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.736 -0.308 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.613 0.858 5.059 1.00 0.00 H new ATOM 334 N LEU A 25 -6.372 0.583 0.807 1.00 0.00 N ATOM 335 CA LEU A 25 -5.101 0.108 0.273 1.00 0.00 C ATOM 336 C LEU A 25 -4.202 1.278 -0.115 1.00 0.00 C ATOM 337 O LEU A 25 -3.000 1.266 0.150 1.00 0.00 O ATOM 338 CB LEU A 25 -5.340 -0.791 -0.941 1.00 0.00 C ATOM 339 CG LEU A 25 -4.209 -0.845 -1.970 1.00 0.00 C ATOM 340 CD1 LEU A 25 -3.046 -1.669 -1.441 1.00 0.00 C ATOM 341 CD2 LEU A 25 -4.713 -1.414 -3.288 1.00 0.00 C ATOM 0 H LEU A 25 -7.174 0.415 0.199 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.600 -0.468 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.530 -1.804 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.246 -0.454 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.857 0.171 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.251 -1.696 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.668 -1.218 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.384 -2.684 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.895 -1.445 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.093 -2.423 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.513 -0.782 -3.675 1.00 0.00 H new ATOM 353 N LYS A 26 -4.793 2.288 -0.743 1.00 0.00 N ATOM 354 CA LYS A 26 -4.048 3.468 -1.165 1.00 0.00 C ATOM 355 C LYS A 26 -3.163 3.986 -0.035 1.00 0.00 C ATOM 356 O LYS A 26 -1.937 3.994 -0.148 1.00 0.00 O ATOM 357 CB LYS A 26 -5.009 4.569 -1.619 1.00 0.00 C ATOM 358 CG LYS A 26 -4.319 5.879 -1.956 1.00 0.00 C ATOM 359 CD LYS A 26 -5.303 6.908 -2.485 1.00 0.00 C ATOM 360 CE LYS A 26 -5.539 6.739 -3.978 1.00 0.00 C ATOM 361 NZ LYS A 26 -6.652 7.601 -4.465 1.00 0.00 N ATOM 0 H LYS A 26 -5.787 2.313 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.410 3.183 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.558 4.222 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.742 4.746 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.825 6.270 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.542 5.701 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.250 6.814 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.924 7.911 -2.287 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.626 6.984 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.767 5.695 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.781 7.457 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.529 7.350 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.424 8.599 -4.282 1.00 0.00 H new ATOM 375 N SER A 27 -3.792 4.415 1.054 1.00 0.00 N ATOM 376 CA SER A 27 -3.062 4.937 2.203 1.00 0.00 C ATOM 377 C SER A 27 -1.882 4.034 2.552 1.00 0.00 C ATOM 378 O SER A 27 -0.845 4.503 3.023 1.00 0.00 O ATOM 379 CB SER A 27 -3.994 5.067 3.410 1.00 0.00 C ATOM 380 OG SER A 27 -3.557 6.094 4.283 1.00 0.00 O ATOM 0 H SER A 27 -4.806 4.411 1.165 1.00 0.00 H new ATOM 0 HA SER A 27 -2.678 5.923 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.007 5.281 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.032 4.120 3.948 1.00 0.00 H new ATOM 0 HG SER A 27 -4.170 6.158 5.045 1.00 0.00 H new ATOM 386 N HIS A 28 -2.049 2.736 2.318 1.00 0.00 N ATOM 387 CA HIS A 28 -0.998 1.766 2.606 1.00 0.00 C ATOM 388 C HIS A 28 0.061 1.770 1.508 1.00 0.00 C ATOM 389 O HIS A 28 1.247 1.576 1.775 1.00 0.00 O ATOM 390 CB HIS A 28 -1.594 0.366 2.752 1.00 0.00 C ATOM 391 CG HIS A 28 -0.629 -0.732 2.426 1.00 0.00 C ATOM 392 ND1 HIS A 28 0.125 -1.379 3.382 1.00 0.00 N ATOM 393 CD2 HIS A 28 -0.298 -1.298 1.242 1.00 0.00 C ATOM 394 CE1 HIS A 28 0.879 -2.294 2.799 1.00 0.00 C ATOM 395 NE2 HIS A 28 0.641 -2.266 1.501 1.00 0.00 N ATOM 0 H HIS A 28 -2.901 2.332 1.930 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.523 2.050 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.948 0.236 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.463 0.280 2.100 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.104 -1.182 4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.698 -1.037 0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.573 -2.953 3.300 1.00 0.00 H new ATOM 403 N LYS A 29 -0.375 1.991 0.273 1.00 0.00 N ATOM 404 CA LYS A 29 0.534 2.021 -0.866 1.00 0.00 C ATOM 405 C LYS A 29 1.521 3.178 -0.745 1.00 0.00 C ATOM 406 O LYS A 29 2.731 2.992 -0.884 1.00 0.00 O ATOM 407 CB LYS A 29 -0.255 2.145 -2.172 1.00 0.00 C ATOM 408 CG LYS A 29 -0.694 0.809 -2.746 1.00 0.00 C ATOM 409 CD LYS A 29 -1.403 0.981 -4.079 1.00 0.00 C ATOM 410 CE LYS A 29 -1.463 -0.328 -4.851 1.00 0.00 C ATOM 411 NZ LYS A 29 -2.102 -0.155 -6.186 1.00 0.00 N ATOM 0 H LYS A 29 -1.354 2.152 0.035 1.00 0.00 H new ATOM 0 HA LYS A 29 1.095 1.087 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.136 2.763 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.358 2.664 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.175 0.164 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.359 0.310 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.414 1.351 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.884 1.732 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.454 -0.721 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.021 -1.065 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.124 -1.069 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.073 0.196 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.555 0.529 -6.747 1.00 0.00 H new ATOM 425 N LEU A 30 0.998 4.370 -0.483 1.00 0.00 N ATOM 426 CA LEU A 30 1.834 5.558 -0.341 1.00 0.00 C ATOM 427 C LEU A 30 3.131 5.226 0.390 1.00 0.00 C ATOM 428 O LEU A 30 4.211 5.663 -0.010 1.00 0.00 O ATOM 429 CB LEU A 30 1.076 6.652 0.413 1.00 0.00 C ATOM 430 CG LEU A 30 -0.186 7.185 -0.268 1.00 0.00 C ATOM 431 CD1 LEU A 30 -0.968 8.078 0.682 1.00 0.00 C ATOM 432 CD2 LEU A 30 0.174 7.941 -1.539 1.00 0.00 C ATOM 0 H LEU A 30 -0.001 4.540 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 30 2.083 5.919 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.800 6.265 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.755 7.488 0.580 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.816 6.338 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.862 8.448 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.257 7.506 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.346 8.921 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.735 8.313 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.824 8.780 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.691 7.272 -2.226 1.00 0.00 H new ATOM 444 N LEU A 31 3.018 4.450 1.462 1.00 0.00 N ATOM 445 CA LEU A 31 4.182 4.058 2.249 1.00 0.00 C ATOM 446 C LEU A 31 5.275 3.482 1.354 1.00 0.00 C ATOM 447 O LEU A 31 6.452 3.814 1.501 1.00 0.00 O ATOM 448 CB LEU A 31 3.783 3.031 3.310 1.00 0.00 C ATOM 449 CG LEU A 31 2.711 3.476 4.305 1.00 0.00 C ATOM 450 CD1 LEU A 31 2.130 2.276 5.037 1.00 0.00 C ATOM 451 CD2 LEU A 31 3.286 4.479 5.295 1.00 0.00 C ATOM 0 H LEU A 31 2.132 4.080 1.806 1.00 0.00 H new ATOM 0 HA LEU A 31 4.573 4.948 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.429 2.133 2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.676 2.751 3.869 1.00 0.00 H new ATOM 0 HG LEU A 31 1.908 3.961 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.369 2.613 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.681 1.593 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.923 1.762 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.509 4.785 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.108 4.019 5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.653 5.353 4.756 1.00 0.00 H new ATOM 463 N HIS A 32 4.878 2.620 0.423 1.00 0.00 N ATOM 464 CA HIS A 32 5.823 2.000 -0.498 1.00 0.00 C ATOM 465 C HIS A 32 6.586 3.060 -1.288 1.00 0.00 C ATOM 466 O HIS A 32 7.807 2.988 -1.427 1.00 0.00 O ATOM 467 CB HIS A 32 5.092 1.061 -1.457 1.00 0.00 C ATOM 468 CG HIS A 32 4.775 -0.276 -0.861 1.00 0.00 C ATOM 469 ND1 HIS A 32 5.744 -1.180 -0.482 1.00 0.00 N ATOM 470 CD2 HIS A 32 3.587 -0.859 -0.576 1.00 0.00 C ATOM 471 CE1 HIS A 32 5.167 -2.263 0.008 1.00 0.00 C ATOM 472 NE2 HIS A 32 3.858 -2.093 -0.037 1.00 0.00 N ATOM 0 H HIS A 32 3.908 2.335 0.287 1.00 0.00 H new ATOM 0 HA HIS A 32 6.538 1.423 0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.165 1.535 -1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.703 0.917 -2.348 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.750 -1.035 -0.567 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.608 -0.433 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.678 -3.138 0.382 1.00 0.00 H new ATOM 480 N THR A 33 5.857 4.044 -1.806 1.00 0.00 N ATOM 481 CA THR A 33 6.464 5.117 -2.583 1.00 0.00 C ATOM 482 C THR A 33 7.035 6.199 -1.674 1.00 0.00 C ATOM 483 O THR A 33 6.647 6.316 -0.513 1.00 0.00 O ATOM 484 CB THR A 33 5.446 5.757 -3.547 1.00 0.00 C ATOM 485 OG1 THR A 33 4.280 6.169 -2.826 1.00 0.00 O ATOM 486 CG2 THR A 33 5.051 4.779 -4.644 1.00 0.00 C ATOM 0 H THR A 33 4.845 4.120 -1.701 1.00 0.00 H new ATOM 0 HA THR A 33 7.272 4.670 -3.163 1.00 0.00 H new ATOM 0 HB THR A 33 5.913 6.627 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.409 5.996 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.332 5.253 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.937 4.490 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.601 3.893 -4.197 1.00 0.00 H new ATOM 494 N ALA A 34 7.960 6.988 -2.211 1.00 0.00 N ATOM 495 CA ALA A 34 8.583 8.063 -1.449 1.00 0.00 C ATOM 496 C ALA A 34 8.058 9.425 -1.890 1.00 0.00 C ATOM 497 O ALA A 34 8.711 10.135 -2.654 1.00 0.00 O ATOM 498 CB ALA A 34 10.096 8.006 -1.596 1.00 0.00 C ATOM 0 H ALA A 34 8.294 6.903 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 34 8.325 7.926 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.548 8.815 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.462 7.049 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.364 8.114 -2.647 1.00 0.00 H new ATOM 504 N ASP A 35 6.874 9.783 -1.404 1.00 0.00 N ATOM 505 CA ASP A 35 6.261 11.061 -1.748 1.00 0.00 C ATOM 506 C ASP A 35 5.237 11.473 -0.696 1.00 0.00 C ATOM 507 O ASP A 35 4.437 10.656 -0.241 1.00 0.00 O ATOM 508 CB ASP A 35 5.595 10.978 -3.122 1.00 0.00 C ATOM 509 CG ASP A 35 4.971 12.293 -3.543 1.00 0.00 C ATOM 510 OD1 ASP A 35 4.027 12.748 -2.863 1.00 0.00 O ATOM 511 OD2 ASP A 35 5.426 12.869 -4.553 1.00 0.00 O ATOM 0 H ASP A 35 6.320 9.206 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 35 7.046 11.816 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.335 10.676 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.828 10.204 -3.104 1.00 0.00 H new ATOM 516 N GLY A 36 5.268 12.746 -0.312 1.00 0.00 N ATOM 517 CA GLY A 36 4.338 13.243 0.685 1.00 0.00 C ATOM 518 C GLY A 36 4.883 14.438 1.441 1.00 0.00 C ATOM 519 O GLY A 36 5.447 15.336 0.817 1.00 0.00 O ATOM 0 H GLY A 36 5.921 13.442 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.403 13.520 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.106 12.445 1.391 1.00 0.00 H new TER 523 GLY A 36 HETATM 524 ZN ZN A 181 2.040 -2.994 0.171 1.00 0.00 ZN