USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 292 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 69:sc= 1.17 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.0067 (180deg=-0.124) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= -0.481 (180deg=-1.13) USER MOD Single : A 23 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 30 SER OG : rot 83:sc= 0.624 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= -0.0351 (180deg=-0.328) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 66.695 56.159 10.033 1.00 0.00 N ATOM 2 CA GLY A 1 66.631 55.024 9.099 1.00 0.00 C ATOM 3 C GLY A 1 65.290 54.956 8.380 1.00 0.00 C ATOM 4 O GLY A 1 64.521 54.022 8.594 1.00 0.00 O ATOM 0 H1 GLY A 1 67.623 56.170 10.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 66.561 57.047 9.509 1.00 0.00 H new ATOM 0 H3 GLY A 1 65.946 56.062 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 67.432 55.112 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 66.798 54.095 9.644 1.00 0.00 H new ATOM 10 N ILE A 2 65.021 55.946 7.522 1.00 0.00 N ATOM 11 CA ILE A 2 63.801 56.024 6.733 1.00 0.00 C ATOM 12 C ILE A 2 63.665 54.777 5.854 1.00 0.00 C ATOM 13 O ILE A 2 62.562 54.286 5.625 1.00 0.00 O ATOM 14 CB ILE A 2 63.820 57.340 5.934 1.00 0.00 C ATOM 15 CG1 ILE A 2 62.425 57.948 5.735 1.00 0.00 C ATOM 16 CG2 ILE A 2 64.568 57.211 4.603 1.00 0.00 C ATOM 17 CD1 ILE A 2 61.430 57.055 4.993 1.00 0.00 C ATOM 0 H ILE A 2 65.659 56.725 7.358 1.00 0.00 H new ATOM 0 HA ILE A 2 62.918 56.039 7.371 1.00 0.00 H new ATOM 0 HB ILE A 2 64.380 58.041 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 2 62.010 58.195 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 2 62.528 58.885 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 2 64.550 58.168 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 2 65.601 56.920 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 2 64.085 56.453 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 2 60.475 57.572 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 2 61.816 56.828 3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 2 61.289 56.128 5.548 1.00 0.00 H new ATOM 29 N LEU A 3 64.798 54.241 5.388 1.00 0.00 N ATOM 30 CA LEU A 3 64.840 53.053 4.557 1.00 0.00 C ATOM 31 C LEU A 3 64.442 51.798 5.330 1.00 0.00 C ATOM 32 O LEU A 3 63.984 50.830 4.727 1.00 0.00 O ATOM 33 CB LEU A 3 66.255 52.889 4.000 1.00 0.00 C ATOM 34 CG LEU A 3 66.707 54.065 3.124 1.00 0.00 C ATOM 35 CD1 LEU A 3 68.146 53.816 2.668 1.00 0.00 C ATOM 36 CD2 LEU A 3 65.815 54.230 1.892 1.00 0.00 C ATOM 0 H LEU A 3 65.719 54.632 5.585 1.00 0.00 H new ATOM 0 HA LEU A 3 64.121 53.178 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 3 66.953 52.775 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 3 66.303 51.971 3.415 1.00 0.00 H new ATOM 0 HG LEU A 3 66.637 54.978 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 3 68.479 54.646 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 3 68.795 53.735 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 3 68.191 52.890 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.168 55.073 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.853 53.321 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 3 64.788 54.414 2.208 1.00 0.00 H new ATOM 48 N ASP A 4 64.624 51.807 6.655 1.00 0.00 N ATOM 49 CA ASP A 4 64.219 50.722 7.524 1.00 0.00 C ATOM 50 C ASP A 4 62.793 50.985 7.991 1.00 0.00 C ATOM 51 O ASP A 4 62.104 50.064 8.422 1.00 0.00 O ATOM 52 CB ASP A 4 65.182 50.648 8.711 1.00 0.00 C ATOM 53 CG ASP A 4 64.899 49.452 9.617 1.00 0.00 C ATOM 54 OD1 ASP A 4 64.499 48.398 9.126 1.00 0.00 O ATOM 55 OD2 ASP A 4 65.118 49.652 10.949 1.00 0.00 O ATOM 0 H ASP A 4 65.063 52.583 7.150 1.00 0.00 H new ATOM 0 HA ASP A 4 64.249 49.768 6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 4 66.206 50.586 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 4 65.108 51.567 9.293 1.00 0.00 H new ATOM 61 N THR A 5 62.359 52.249 7.918 1.00 0.00 N ATOM 62 CA THR A 5 61.050 52.631 8.401 1.00 0.00 C ATOM 63 C THR A 5 59.978 52.123 7.444 1.00 0.00 C ATOM 64 O THR A 5 59.028 51.471 7.870 1.00 0.00 O ATOM 65 CB THR A 5 60.963 54.148 8.594 1.00 0.00 C ATOM 66 OG1 THR A 5 61.962 54.569 9.496 1.00 0.00 O ATOM 67 CG2 THR A 5 59.597 54.546 9.154 1.00 0.00 C ATOM 0 H THR A 5 62.905 53.017 7.527 1.00 0.00 H new ATOM 0 HA THR A 5 60.881 52.173 9.375 1.00 0.00 H new ATOM 0 HB THR A 5 61.104 54.624 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 5 62.843 54.469 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 5 59.558 55.628 9.283 1.00 0.00 H new ATOM 0 HG22 THR A 5 58.815 54.235 8.461 1.00 0.00 H new ATOM 0 HG23 THR A 5 59.443 54.060 10.117 1.00 0.00 H new ATOM 75 N LEU A 6 60.141 52.404 6.147 1.00 0.00 N ATOM 76 CA LEU A 6 59.263 51.869 5.121 1.00 0.00 C ATOM 77 C LEU A 6 59.391 50.348 5.052 1.00 0.00 C ATOM 78 O LEU A 6 58.406 49.659 4.795 1.00 0.00 O ATOM 79 CB LEU A 6 59.549 52.555 3.779 1.00 0.00 C ATOM 80 CG LEU A 6 60.960 52.305 3.224 1.00 0.00 C ATOM 81 CD1 LEU A 6 60.980 51.111 2.265 1.00 0.00 C ATOM 82 CD2 LEU A 6 61.419 53.541 2.449 1.00 0.00 C ATOM 0 H LEU A 6 60.883 53.006 5.788 1.00 0.00 H new ATOM 0 HA LEU A 6 58.225 52.083 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 6 58.818 52.212 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 6 59.403 53.629 3.896 1.00 0.00 H new ATOM 0 HG LEU A 6 61.620 52.096 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 61.993 50.962 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 6 60.652 50.215 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 6 60.309 51.305 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 6 62.420 53.371 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 6 60.730 53.731 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 6 61.435 54.403 3.116 1.00 0.00 H new ATOM 94 N LYS A 7 60.598 49.830 5.310 1.00 0.00 N ATOM 95 CA LYS A 7 60.881 48.408 5.334 1.00 0.00 C ATOM 96 C LYS A 7 60.053 47.716 6.415 1.00 0.00 C ATOM 97 O LYS A 7 59.470 46.663 6.167 1.00 0.00 O ATOM 98 CB LYS A 7 62.379 48.214 5.582 1.00 0.00 C ATOM 99 CG LYS A 7 62.814 46.763 5.379 1.00 0.00 C ATOM 100 CD LYS A 7 62.684 46.382 3.904 1.00 0.00 C ATOM 101 CE LYS A 7 63.097 44.928 3.665 1.00 0.00 C ATOM 102 NZ LYS A 7 64.521 44.705 3.965 1.00 0.00 N ATOM 0 H LYS A 7 61.415 50.407 5.511 1.00 0.00 H new ATOM 0 HA LYS A 7 60.611 47.959 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 7 62.944 48.859 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 7 62.621 48.525 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 63.845 46.634 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 7 62.200 46.101 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 7 61.654 46.528 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 7 63.306 47.043 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 7 62.488 44.271 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 7 62.898 44.660 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 64.802 43.760 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 65.094 45.426 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 64.674 44.771 4.992 1.00 0.00 H new ATOM 116 N GLN A 8 60.002 48.321 7.608 1.00 0.00 N ATOM 117 CA GLN A 8 59.255 47.824 8.750 1.00 0.00 C ATOM 118 C GLN A 8 57.814 47.515 8.353 1.00 0.00 C ATOM 119 O GLN A 8 57.318 46.418 8.605 1.00 0.00 O ATOM 120 CB GLN A 8 59.298 48.878 9.860 1.00 0.00 C ATOM 121 CG GLN A 8 58.663 48.361 11.148 1.00 0.00 C ATOM 122 CD GLN A 8 58.668 49.433 12.233 1.00 0.00 C ATOM 123 OE1 GLN A 8 57.616 49.951 12.601 1.00 0.00 O ATOM 124 NE2 GLN A 8 59.855 49.762 12.750 1.00 0.00 N ATOM 0 H GLN A 8 60.495 49.192 7.802 1.00 0.00 H new ATOM 0 HA GLN A 8 59.704 46.898 9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 8 60.332 49.163 10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 8 58.776 49.776 9.531 1.00 0.00 H new ATOM 0 HG2 GLN A 8 57.639 48.044 10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 8 59.206 47.483 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 8 60.702 49.305 12.413 1.00 0.00 H new ATOM 0 HE22 GLN A 8 59.914 50.470 13.482 1.00 0.00 H new ATOM 133 N PHE A 9 57.152 48.496 7.733 1.00 0.00 N ATOM 134 CA PHE A 9 55.753 48.405 7.352 1.00 0.00 C ATOM 135 C PHE A 9 55.569 47.604 6.065 1.00 0.00 C ATOM 136 O PHE A 9 54.540 46.954 5.898 1.00 0.00 O ATOM 137 CB PHE A 9 55.180 49.815 7.213 1.00 0.00 C ATOM 138 CG PHE A 9 55.333 50.657 8.464 1.00 0.00 C ATOM 139 CD1 PHE A 9 54.775 50.220 9.677 1.00 0.00 C ATOM 140 CD2 PHE A 9 56.075 51.849 8.427 1.00 0.00 C ATOM 141 CE1 PHE A 9 54.969 50.964 10.850 1.00 0.00 C ATOM 142 CE2 PHE A 9 56.264 52.595 9.600 1.00 0.00 C ATOM 143 CZ PHE A 9 55.716 52.151 10.812 1.00 0.00 C ATOM 0 H PHE A 9 57.585 49.385 7.481 1.00 0.00 H new ATOM 0 HA PHE A 9 55.210 47.870 8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 9 55.675 50.319 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 9 54.122 49.745 6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 9 54.195 49.309 9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 9 56.500 52.191 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 9 54.543 50.623 11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 9 56.832 53.513 9.570 1.00 0.00 H new ATOM 0 HZ PHE A 9 55.869 52.722 11.716 1.00 0.00 H new ATOM 153 N ALA A 10 56.558 47.638 5.162 1.00 0.00 N ATOM 154 CA ALA A 10 56.511 46.885 3.918 1.00 0.00 C ATOM 155 C ALA A 10 56.409 45.387 4.194 1.00 0.00 C ATOM 156 O ALA A 10 55.657 44.687 3.520 1.00 0.00 O ATOM 157 CB ALA A 10 57.749 47.196 3.077 1.00 0.00 C ATOM 0 H ALA A 10 57.408 48.189 5.280 1.00 0.00 H new ATOM 0 HA ALA A 10 55.622 47.183 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 10 57.709 46.629 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 10 57.777 48.262 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 10 58.645 46.919 3.632 1.00 0.00 H new ATOM 163 N LYS A 11 57.150 44.905 5.197 1.00 0.00 N ATOM 164 CA LYS A 11 57.076 43.525 5.651 1.00 0.00 C ATOM 165 C LYS A 11 55.700 43.225 6.240 1.00 0.00 C ATOM 166 O LYS A 11 55.232 42.092 6.151 1.00 0.00 O ATOM 167 CB LYS A 11 58.171 43.270 6.689 1.00 0.00 C ATOM 168 CG LYS A 11 59.557 43.383 6.048 1.00 0.00 C ATOM 169 CD LYS A 11 60.676 43.130 7.062 1.00 0.00 C ATOM 170 CE LYS A 11 60.718 44.215 8.140 1.00 0.00 C ATOM 171 NZ LYS A 11 61.903 44.063 9.000 1.00 0.00 N ATOM 0 H LYS A 11 57.821 45.471 5.716 1.00 0.00 H new ATOM 0 HA LYS A 11 57.229 42.862 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 11 58.082 43.988 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 11 58.045 42.278 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.639 42.667 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.677 44.376 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.529 42.157 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 11 61.635 43.094 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 11 60.730 45.198 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 11 59.815 44.163 8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 61.906 44.812 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 61.877 43.133 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 62.764 44.137 8.421 1.00 0.00 H new ATOM 185 N GLY A 12 55.045 44.237 6.822 1.00 0.00 N ATOM 186 CA GLY A 12 53.691 44.104 7.327 1.00 0.00 C ATOM 187 C GLY A 12 52.678 44.116 6.193 1.00 0.00 C ATOM 188 O GLY A 12 51.661 43.431 6.282 1.00 0.00 O ATOM 0 H GLY A 12 55.446 45.166 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 12 53.600 43.175 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 12 53.476 44.919 8.019 1.00 0.00 H new ATOM 192 N VAL A 13 52.990 44.823 5.100 1.00 0.00 N ATOM 193 CA VAL A 13 52.296 44.617 3.840 1.00 0.00 C ATOM 194 C VAL A 13 53.008 43.495 3.083 1.00 0.00 C ATOM 195 O VAL A 13 53.116 43.507 1.859 1.00 0.00 O ATOM 196 CB VAL A 13 52.234 45.931 3.050 1.00 0.00 C ATOM 197 CG1 VAL A 13 51.235 45.847 1.890 1.00 0.00 C ATOM 198 CG2 VAL A 13 51.789 47.088 3.950 1.00 0.00 C ATOM 0 H VAL A 13 53.717 45.538 5.071 1.00 0.00 H new ATOM 0 HA VAL A 13 51.262 44.314 4.004 1.00 0.00 H new ATOM 0 HB VAL A 13 53.239 46.105 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 13 51.219 46.796 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 13 51.535 45.051 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 13 50.240 45.634 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 13 51.753 48.009 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 50.799 46.875 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 13 52.498 47.205 4.770 1.00 0.00 H new ATOM 208 N GLY A 14 53.488 42.513 3.850 1.00 0.00 N ATOM 209 CA GLY A 14 54.022 41.252 3.378 1.00 0.00 C ATOM 210 C GLY A 14 53.300 40.144 4.135 1.00 0.00 C ATOM 211 O GLY A 14 53.026 39.084 3.578 1.00 0.00 O ATOM 0 H GLY A 14 53.512 42.589 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 14 53.868 41.147 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 14 55.097 41.200 3.553 1.00 0.00 H new ATOM 215 N LYS A 15 52.956 40.420 5.399 1.00 0.00 N ATOM 216 CA LYS A 15 52.126 39.552 6.212 1.00 0.00 C ATOM 217 C LYS A 15 50.678 39.650 5.743 1.00 0.00 C ATOM 218 O LYS A 15 50.013 38.632 5.566 1.00 0.00 O ATOM 219 CB LYS A 15 52.234 39.956 7.681 1.00 0.00 C ATOM 220 CG LYS A 15 53.684 39.969 8.170 1.00 0.00 C ATOM 221 CD LYS A 15 54.389 38.662 7.811 1.00 0.00 C ATOM 222 CE LYS A 15 55.761 38.602 8.483 1.00 0.00 C ATOM 223 NZ LYS A 15 56.462 37.349 8.158 1.00 0.00 N ATOM 0 H LYS A 15 53.255 41.266 5.883 1.00 0.00 H new ATOM 0 HA LYS A 15 52.466 38.522 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 15 51.797 40.945 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 15 51.653 39.264 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 15 54.216 40.809 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 15 53.707 40.115 9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.783 37.814 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 15 54.502 38.586 6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 15 56.363 39.452 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 15 55.643 38.685 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 57.389 37.338 8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 55.897 36.540 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 56.595 37.283 7.129 1.00 0.00 H new ATOM 237 N ASP A 16 50.206 40.883 5.524 1.00 0.00 N ATOM 238 CA ASP A 16 48.899 41.148 4.944 1.00 0.00 C ATOM 239 C ASP A 16 48.842 40.644 3.500 1.00 0.00 C ATOM 240 O ASP A 16 47.759 40.461 2.948 1.00 0.00 O ATOM 241 CB ASP A 16 48.628 42.654 4.996 1.00 0.00 C ATOM 242 CG ASP A 16 47.204 42.987 4.566 1.00 0.00 C ATOM 243 OD1 ASP A 16 47.019 43.593 3.512 1.00 0.00 O ATOM 244 OD2 ASP A 16 46.214 42.578 5.411 1.00 0.00 O ATOM 0 H ASP A 16 50.731 41.728 5.749 1.00 0.00 H new ATOM 0 HA ASP A 16 48.134 40.621 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 16 48.797 43.019 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 16 49.334 43.173 4.348 1.00 0.00 H new ATOM 250 N LEU A 17 50.015 40.423 2.897 1.00 0.00 N ATOM 251 CA LEU A 17 50.176 39.939 1.543 1.00 0.00 C ATOM 252 C LEU A 17 50.221 38.421 1.592 1.00 0.00 C ATOM 253 O LEU A 17 49.569 37.749 0.795 1.00 0.00 O ATOM 254 CB LEU A 17 51.484 40.502 0.983 1.00 0.00 C ATOM 255 CG LEU A 17 51.338 40.909 -0.482 1.00 0.00 C ATOM 256 CD1 LEU A 17 52.635 41.566 -0.957 1.00 0.00 C ATOM 257 CD2 LEU A 17 51.012 39.716 -1.383 1.00 0.00 C ATOM 0 H LEU A 17 50.906 40.586 3.366 1.00 0.00 H new ATOM 0 HA LEU A 17 49.353 40.255 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 17 51.791 41.366 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 17 52.272 39.755 1.077 1.00 0.00 H new ATOM 0 HG LEU A 17 50.507 41.611 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 52.534 41.857 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 17 52.838 42.450 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 17 53.459 40.860 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 50.918 40.054 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 17 51.812 38.979 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 17 50.074 39.264 -1.062 1.00 0.00 H new ATOM 269 N VAL A 18 50.966 37.889 2.568 1.00 0.00 N ATOM 270 CA VAL A 18 50.928 36.472 2.867 1.00 0.00 C ATOM 271 C VAL A 18 49.521 36.105 3.337 1.00 0.00 C ATOM 272 O VAL A 18 49.039 35.014 3.038 1.00 0.00 O ATOM 273 CB VAL A 18 52.001 36.142 3.911 1.00 0.00 C ATOM 274 CG1 VAL A 18 51.732 34.800 4.588 1.00 0.00 C ATOM 275 CG2 VAL A 18 53.375 36.082 3.239 1.00 0.00 C ATOM 0 H VAL A 18 51.600 38.428 3.159 1.00 0.00 H new ATOM 0 HA VAL A 18 51.149 35.879 1.980 1.00 0.00 H new ATOM 0 HB VAL A 18 51.977 36.927 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 18 52.513 34.600 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 18 50.764 34.832 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 18 51.727 34.009 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 18 54.135 35.847 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 18 53.370 35.310 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 18 53.600 37.046 2.783 1.00 0.00 H new ATOM 285 N LYS A 19 48.854 37.028 4.041 1.00 0.00 N ATOM 286 CA LYS A 19 47.472 36.849 4.465 1.00 0.00 C ATOM 287 C LYS A 19 46.543 36.926 3.255 1.00 0.00 C ATOM 288 O LYS A 19 45.515 36.254 3.212 1.00 0.00 O ATOM 289 CB LYS A 19 47.118 37.926 5.495 1.00 0.00 C ATOM 290 CG LYS A 19 45.696 37.786 6.051 1.00 0.00 C ATOM 291 CD LYS A 19 45.388 36.443 6.726 1.00 0.00 C ATOM 292 CE LYS A 19 46.257 36.163 7.956 1.00 0.00 C ATOM 293 NZ LYS A 19 47.550 35.554 7.601 1.00 0.00 N ATOM 0 H LYS A 19 49.262 37.917 4.329 1.00 0.00 H new ATOM 0 HA LYS A 19 47.350 35.868 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 19 47.830 37.879 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 19 47.226 38.909 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 19 45.525 38.585 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 19 44.988 37.936 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 19 44.339 36.426 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 19 45.529 35.641 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 19 46.432 37.095 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 19 45.720 35.500 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 47.870 34.941 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 47.441 34.988 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 48.253 36.303 7.439 1.00 0.00 H new ATOM 307 N GLY A 20 46.922 37.741 2.267 1.00 0.00 N ATOM 308 CA GLY A 20 46.199 37.871 1.018 1.00 0.00 C ATOM 309 C GLY A 20 46.387 36.611 0.184 1.00 0.00 C ATOM 310 O GLY A 20 45.420 36.066 -0.345 1.00 0.00 O ATOM 0 H GLY A 20 47.751 38.333 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 20 45.139 38.034 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 20 46.558 38.740 0.467 1.00 0.00 H new ATOM 314 N ALA A 21 47.635 36.138 0.091 1.00 0.00 N ATOM 315 CA ALA A 21 47.957 34.888 -0.571 1.00 0.00 C ATOM 316 C ALA A 21 47.381 33.701 0.196 1.00 0.00 C ATOM 317 O ALA A 21 47.056 32.684 -0.411 1.00 0.00 O ATOM 318 CB ALA A 21 49.473 34.759 -0.708 1.00 0.00 C ATOM 0 H ALA A 21 48.447 36.620 0.477 1.00 0.00 H new ATOM 0 HA ALA A 21 47.508 34.889 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 21 49.715 33.820 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 21 49.857 35.591 -1.298 1.00 0.00 H new ATOM 0 HB3 ALA A 21 49.930 34.774 0.281 1.00 0.00 H new ATOM 324 N ALA A 22 47.245 33.828 1.522 1.00 0.00 N ATOM 325 CA ALA A 22 46.718 32.752 2.351 1.00 0.00 C ATOM 326 C ALA A 22 45.287 32.402 1.949 1.00 0.00 C ATOM 327 O ALA A 22 44.900 31.236 1.999 1.00 0.00 O ATOM 328 CB ALA A 22 46.786 33.132 3.829 1.00 0.00 C ATOM 0 H ALA A 22 47.495 34.671 2.039 1.00 0.00 H new ATOM 0 HA ALA A 22 47.337 31.869 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 22 46.388 32.317 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 22 47.823 33.319 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 22 46.196 34.032 4.001 1.00 0.00 H new ATOM 334 N GLN A 23 44.510 33.412 1.541 1.00 0.00 N ATOM 335 CA GLN A 23 43.140 33.245 1.094 1.00 0.00 C ATOM 336 C GLN A 23 43.064 32.328 -0.128 1.00 0.00 C ATOM 337 O GLN A 23 42.070 31.627 -0.307 1.00 0.00 O ATOM 338 CB GLN A 23 42.560 34.629 0.792 1.00 0.00 C ATOM 339 CG GLN A 23 41.082 34.567 0.403 1.00 0.00 C ATOM 340 CD GLN A 23 40.223 33.942 1.497 1.00 0.00 C ATOM 341 OE1 GLN A 23 39.667 32.861 1.310 1.00 0.00 O ATOM 342 NE2 GLN A 23 40.111 34.624 2.639 1.00 0.00 N ATOM 0 H GLN A 23 44.829 34.380 1.515 1.00 0.00 H new ATOM 0 HA GLN A 23 42.552 32.767 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 23 42.676 35.268 1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 23 43.127 35.090 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 23 40.721 35.574 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 23 40.974 33.990 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 23 40.591 35.517 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 23 39.546 34.252 3.402 1.00 0.00 H new ATOM 351 N GLY A 24 44.110 32.327 -0.965 1.00 0.00 N ATOM 352 CA GLY A 24 44.146 31.533 -2.177 1.00 0.00 C ATOM 353 C GLY A 24 45.592 31.402 -2.625 1.00 0.00 C ATOM 354 O GLY A 24 46.069 32.203 -3.426 1.00 0.00 O ATOM 0 H GLY A 24 44.952 32.882 -0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 24 43.714 30.548 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 24 43.549 32.005 -2.957 1.00 0.00 H new ATOM 358 N VAL A 25 46.295 30.406 -2.080 1.00 0.00 N ATOM 359 CA VAL A 25 47.722 30.256 -2.293 1.00 0.00 C ATOM 360 C VAL A 25 47.988 29.788 -3.719 1.00 0.00 C ATOM 361 O VAL A 25 48.652 30.480 -4.487 1.00 0.00 O ATOM 362 CB VAL A 25 48.301 29.267 -1.272 1.00 0.00 C ATOM 363 CG1 VAL A 25 49.809 29.102 -1.480 1.00 0.00 C ATOM 364 CG2 VAL A 25 48.051 29.757 0.155 1.00 0.00 C ATOM 0 H VAL A 25 45.886 29.688 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 25 48.213 31.219 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 25 47.804 28.308 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 25 50.202 28.397 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 25 49.999 28.724 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 25 50.301 30.067 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 25 48.469 29.042 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 25 48.527 30.727 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 25 46.978 29.851 0.325 1.00 0.00 H new ATOM 374 N LEU A 26 47.471 28.602 -4.057 1.00 0.00 N ATOM 375 CA LEU A 26 47.675 27.963 -5.345 1.00 0.00 C ATOM 376 C LEU A 26 47.272 28.886 -6.494 1.00 0.00 C ATOM 377 O LEU A 26 47.927 28.891 -7.534 1.00 0.00 O ATOM 378 CB LEU A 26 46.872 26.661 -5.399 1.00 0.00 C ATOM 379 CG LEU A 26 47.244 25.668 -4.289 1.00 0.00 C ATOM 380 CD1 LEU A 26 46.360 24.426 -4.422 1.00 0.00 C ATOM 381 CD2 LEU A 26 48.713 25.245 -4.377 1.00 0.00 C ATOM 0 H LEU A 26 46.888 28.055 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 26 48.736 27.742 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 45.810 26.895 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 26 47.028 26.187 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 26 47.089 26.157 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 26 46.615 23.712 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 45.313 24.713 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 26 46.522 23.967 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 48.938 24.542 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 26 48.897 24.768 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 26 49.351 26.123 -4.279 1.00 0.00 H new ATOM 393 N SER A 27 46.206 29.671 -6.304 1.00 0.00 N ATOM 394 CA SER A 27 45.741 30.609 -7.310 1.00 0.00 C ATOM 395 C SER A 27 46.752 31.738 -7.502 1.00 0.00 C ATOM 396 O SER A 27 47.117 32.041 -8.635 1.00 0.00 O ATOM 397 CB SER A 27 44.355 31.134 -6.930 1.00 0.00 C ATOM 398 OG SER A 27 44.388 31.797 -5.686 1.00 0.00 O ATOM 0 H SER A 27 45.649 29.668 -5.450 1.00 0.00 H new ATOM 0 HA SER A 27 45.651 30.097 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 27 43.997 31.817 -7.700 1.00 0.00 H new ATOM 0 HB3 SER A 27 43.648 30.305 -6.886 1.00 0.00 H new ATOM 0 HG SER A 27 43.491 32.125 -5.466 1.00 0.00 H new ATOM 404 N THR A 28 47.219 32.346 -6.404 1.00 0.00 N ATOM 405 CA THR A 28 48.206 33.414 -6.447 1.00 0.00 C ATOM 406 C THR A 28 49.475 32.940 -7.150 1.00 0.00 C ATOM 407 O THR A 28 49.991 33.637 -8.022 1.00 0.00 O ATOM 408 CB THR A 28 48.508 33.903 -5.027 1.00 0.00 C ATOM 409 OG1 THR A 28 47.335 34.461 -4.474 1.00 0.00 O ATOM 410 CG2 THR A 28 49.613 34.963 -5.029 1.00 0.00 C ATOM 0 H THR A 28 46.917 32.104 -5.460 1.00 0.00 H new ATOM 0 HA THR A 28 47.802 34.250 -7.018 1.00 0.00 H new ATOM 0 HB THR A 28 48.847 33.054 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 28 46.795 33.751 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 28 49.805 35.290 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 28 50.524 34.538 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 28 49.298 35.816 -5.630 1.00 0.00 H new ATOM 418 N VAL A 29 49.962 31.751 -6.779 1.00 0.00 N ATOM 419 CA VAL A 29 51.120 31.129 -7.397 1.00 0.00 C ATOM 420 C VAL A 29 50.936 31.028 -8.912 1.00 0.00 C ATOM 421 O VAL A 29 51.913 31.113 -9.653 1.00 0.00 O ATOM 422 CB VAL A 29 51.350 29.756 -6.752 1.00 0.00 C ATOM 423 CG1 VAL A 29 52.430 28.969 -7.494 1.00 0.00 C ATOM 424 CG2 VAL A 29 51.793 29.926 -5.296 1.00 0.00 C ATOM 0 H VAL A 29 49.552 31.193 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 29 52.005 31.743 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 29 50.408 29.209 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 29 52.570 28.001 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.124 28.819 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.367 29.525 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 29 51.953 28.946 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 29 52.721 30.497 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 29 51.020 30.457 -4.740 1.00 0.00 H new ATOM 434 N SER A 30 49.691 30.862 -9.373 1.00 0.00 N ATOM 435 CA SER A 30 49.381 30.741 -10.785 1.00 0.00 C ATOM 436 C SER A 30 49.107 32.102 -11.413 1.00 0.00 C ATOM 437 O SER A 30 49.663 32.414 -12.465 1.00 0.00 O ATOM 438 CB SER A 30 48.190 29.801 -10.962 1.00 0.00 C ATOM 439 OG SER A 30 48.484 28.542 -10.397 1.00 0.00 O ATOM 0 H SER A 30 48.873 30.809 -8.767 1.00 0.00 H new ATOM 0 HA SER A 30 50.245 30.322 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 30 47.306 30.226 -10.486 1.00 0.00 H new ATOM 0 HB3 SER A 30 47.958 29.689 -12.021 1.00 0.00 H new ATOM 0 HG SER A 30 48.309 28.567 -9.433 1.00 0.00 H new ATOM 445 N CYS A 31 48.260 32.912 -10.770 1.00 0.00 N ATOM 446 CA CYS A 31 47.959 34.258 -11.231 1.00 0.00 C ATOM 447 C CYS A 31 49.221 35.110 -11.353 1.00 0.00 C ATOM 448 O CYS A 31 49.181 36.164 -11.986 1.00 0.00 O ATOM 449 CB CYS A 31 47.036 34.952 -10.232 1.00 0.00 C ATOM 450 SG CYS A 31 45.391 34.249 -9.980 1.00 0.00 S ATOM 0 H CYS A 31 47.768 32.647 -9.917 1.00 0.00 H new ATOM 0 HA CYS A 31 47.488 34.163 -12.210 1.00 0.00 H new ATOM 0 HB2 CYS A 31 47.542 34.975 -9.267 1.00 0.00 H new ATOM 0 HB3 CYS A 31 46.913 35.987 -10.552 1.00 0.00 H new ATOM 455 N LYS A 32 50.312 34.708 -10.690 1.00 0.00 N ATOM 456 CA LYS A 32 51.373 35.653 -10.375 1.00 0.00 C ATOM 457 C LYS A 32 52.251 35.992 -11.581 1.00 0.00 C ATOM 458 O LYS A 32 53.389 36.425 -11.412 1.00 0.00 O ATOM 459 CB LYS A 32 52.171 35.168 -9.165 1.00 0.00 C ATOM 460 CG LYS A 32 53.101 34.008 -9.515 1.00 0.00 C ATOM 461 CD LYS A 32 54.550 34.479 -9.653 1.00 0.00 C ATOM 462 CE LYS A 32 55.173 34.780 -8.284 1.00 0.00 C ATOM 463 NZ LYS A 32 56.626 34.998 -8.390 1.00 0.00 N ATOM 0 H LYS A 32 50.476 33.754 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 32 50.906 36.600 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 32 52.758 35.994 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 32 51.483 34.856 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 32 53.037 33.242 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 32 52.776 33.547 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 32 55.136 33.713 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 32 54.586 35.373 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 32 54.701 35.664 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 32 54.977 33.952 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 57.017 35.199 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 57.078 34.145 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 56.811 35.804 -9.020 1.00 0.00 H new ATOM 477 N LEU A 33 51.711 35.839 -12.796 1.00 0.00 N ATOM 478 CA LEU A 33 52.373 36.282 -14.013 1.00 0.00 C ATOM 479 C LEU A 33 52.597 37.790 -13.938 1.00 0.00 C ATOM 480 O LEU A 33 53.709 38.265 -14.160 1.00 0.00 O ATOM 481 CB LEU A 33 51.510 35.901 -15.221 1.00 0.00 C ATOM 482 CG LEU A 33 52.105 36.375 -16.554 1.00 0.00 C ATOM 483 CD1 LEU A 33 53.467 35.731 -16.823 1.00 0.00 C ATOM 484 CD2 LEU A 33 51.145 36.003 -17.685 1.00 0.00 C ATOM 0 H LEU A 33 50.802 35.404 -12.955 1.00 0.00 H new ATOM 0 HA LEU A 33 53.343 35.798 -14.122 1.00 0.00 H new ATOM 0 HB2 LEU A 33 51.389 34.818 -15.248 1.00 0.00 H new ATOM 0 HB3 LEU A 33 50.515 36.330 -15.100 1.00 0.00 H new ATOM 0 HG LEU A 33 52.244 37.455 -16.502 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.858 36.090 -17.775 1.00 0.00 H new ATOM 0 HD12 LEU A 33 54.159 35.996 -16.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 53.356 34.647 -16.862 1.00 0.00 H new ATOM 0 HD21 LEU A 33 51.558 36.335 -18.637 1.00 0.00 H new ATOM 0 HD22 LEU A 33 51.009 34.922 -17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 33 50.182 36.486 -17.519 1.00 0.00 H new ATOM 496 N ALA A 34 51.538 38.529 -13.588 1.00 0.00 N ATOM 497 CA ALA A 34 51.601 39.954 -13.310 1.00 0.00 C ATOM 498 C ALA A 34 50.698 40.266 -12.118 1.00 0.00 C ATOM 499 O ALA A 34 49.927 41.223 -12.152 1.00 0.00 O ATOM 500 CB ALA A 34 51.186 40.733 -14.559 1.00 0.00 C ATOM 0 H ALA A 34 50.600 38.139 -13.490 1.00 0.00 H new ATOM 0 HA ALA A 34 52.617 40.254 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 34 51.232 41.802 -14.353 1.00 0.00 H new ATOM 0 HB2 ALA A 34 51.862 40.492 -15.379 1.00 0.00 H new ATOM 0 HB3 ALA A 34 50.168 40.461 -14.836 1.00 0.00 H new ATOM 506 N LYS A 35 50.799 39.436 -11.072 1.00 0.00 N ATOM 507 CA LYS A 35 49.988 39.499 -9.870 1.00 0.00 C ATOM 508 C LYS A 35 48.513 39.690 -10.213 1.00 0.00 C ATOM 509 O LYS A 35 47.882 40.655 -9.783 1.00 0.00 O ATOM 510 CB LYS A 35 50.534 40.588 -8.948 1.00 0.00 C ATOM 511 CG LYS A 35 50.025 40.435 -7.512 1.00 0.00 C ATOM 512 CD LYS A 35 50.590 39.177 -6.842 1.00 0.00 C ATOM 513 CE LYS A 35 50.248 39.154 -5.351 1.00 0.00 C ATOM 514 NZ LYS A 35 48.796 39.064 -5.124 1.00 0.00 N ATOM 0 H LYS A 35 51.478 38.675 -11.048 1.00 0.00 H new ATOM 0 HA LYS A 35 50.048 38.552 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 35 51.623 40.553 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 35 50.245 41.566 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 35 50.305 41.314 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 35 48.936 40.388 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 35 50.185 38.289 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 35 51.672 39.145 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 35 50.743 38.306 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 35 50.635 40.055 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 48.474 39.903 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 48.304 39.017 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 48.583 38.208 -4.573 1.00 0.00 H new ATOM 528 N THR A 36 47.967 38.755 -10.996 1.00 0.00 N ATOM 529 CA THR A 36 46.560 38.755 -11.357 1.00 0.00 C ATOM 530 C THR A 36 45.703 38.431 -10.130 1.00 0.00 C ATOM 531 O THR A 36 44.526 38.783 -10.094 1.00 0.00 O ATOM 532 CB THR A 36 46.337 37.778 -12.517 1.00 0.00 C ATOM 533 OG1 THR A 36 47.186 38.136 -13.587 1.00 0.00 O ATOM 534 CG2 THR A 36 44.888 37.805 -13.007 1.00 0.00 C ATOM 0 H THR A 36 48.495 37.979 -11.394 1.00 0.00 H new ATOM 0 HA THR A 36 46.253 39.744 -11.698 1.00 0.00 H new ATOM 0 HB THR A 36 46.559 36.772 -12.161 1.00 0.00 H new ATOM 0 HG1 THR A 36 47.051 37.515 -14.333 1.00 0.00 H new ATOM 0 HG21 THR A 36 44.769 37.100 -13.829 1.00 0.00 H new ATOM 0 HG22 THR A 36 44.222 37.526 -12.190 1.00 0.00 H new ATOM 0 HG23 THR A 36 44.639 38.809 -13.351 1.00 0.00 H new ATOM 542 N CYS A 37 46.298 37.798 -9.110 1.00 0.00 N ATOM 543 CA CYS A 37 45.617 37.522 -7.858 1.00 0.00 C ATOM 544 C CYS A 37 46.615 37.099 -6.784 1.00 0.00 C ATOM 545 O CYS A 37 47.783 36.871 -7.096 1.00 0.00 O ATOM 546 CB CYS A 37 44.510 36.476 -8.051 1.00 0.00 C ATOM 547 SG CYS A 37 45.005 34.729 -8.035 1.00 0.00 S ATOM 548 OXT CYS A 37 46.120 37.012 -5.516 1.00 0.00 O ATOM 0 H CYS A 37 47.263 37.468 -9.139 1.00 0.00 H new ATOM 0 HA CYS A 37 45.137 38.440 -7.518 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.766 36.623 -7.268 1.00 0.00 H new ATOM 0 HB3 CYS A 37 44.016 36.678 -9.002 1.00 0.00 H new TER 554 CYS A 37