USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 322 hydrogens (31 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 11 NLE HN2 : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 11 NLE H : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 22 ABA HN2 : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 22 ABA H : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 26 NLE HN2 : A 26 NLE N : A 25 LEU C :(H bumps) USER MOD Single : A 1 VAL N :NH3+ -112:sc= 0.0497 (180deg=-0.0395) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 74:sc= 0.864 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.449 K(o=0.45,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 19.354 7.957 -6.433 1.00 0.00 N ATOM 2 CA VAL A 1 18.649 7.578 -5.172 1.00 0.00 C ATOM 3 C VAL A 1 19.250 8.288 -3.953 1.00 0.00 C ATOM 4 O VAL A 1 20.387 8.760 -4.002 1.00 0.00 O ATOM 5 CB VAL A 1 18.613 6.047 -4.928 1.00 0.00 C ATOM 6 CG1 VAL A 1 17.797 5.309 -5.995 1.00 0.00 C ATOM 7 CG2 VAL A 1 19.998 5.389 -4.830 1.00 0.00 C ATOM 0 H1 VAL A 1 18.715 8.516 -7.034 1.00 0.00 H new ATOM 0 H2 VAL A 1 20.196 8.523 -6.203 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.643 7.097 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 1 17.619 7.909 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 1 18.130 5.952 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.801 4.240 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.771 5.677 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 1 18.238 5.485 -6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 1 19.881 4.319 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 1 20.544 5.550 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 1 20.553 5.830 -4.002 1.00 0.00 H new ATOM 19 N VAL A 2 18.515 8.302 -2.833 1.00 0.00 N ATOM 20 CA VAL A 2 18.989 8.703 -1.482 1.00 0.00 C ATOM 21 C VAL A 2 18.846 7.544 -0.472 1.00 0.00 C ATOM 22 O VAL A 2 18.715 7.748 0.734 1.00 0.00 O ATOM 23 CB VAL A 2 18.296 9.999 -0.997 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.628 11.183 -1.916 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.767 9.876 -0.899 1.00 0.00 C ATOM 0 H VAL A 2 17.533 8.025 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 2 20.053 8.929 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 2 18.687 10.172 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.127 12.079 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.706 11.347 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.287 10.965 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.347 10.821 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.358 9.635 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.510 9.085 -0.194 1.00 0.00 H new ATOM 35 N PHE A 3 18.800 6.312 -0.994 1.00 0.00 N ATOM 36 CA PHE A 3 18.432 5.050 -0.331 1.00 0.00 C ATOM 37 C PHE A 3 17.261 5.149 0.672 1.00 0.00 C ATOM 38 O PHE A 3 17.242 4.489 1.713 1.00 0.00 O ATOM 39 CB PHE A 3 19.688 4.331 0.196 1.00 0.00 C ATOM 40 CG PHE A 3 19.568 2.820 0.095 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.239 2.043 1.223 1.00 0.00 C ATOM 42 CD2 PHE A 3 19.731 2.194 -1.157 1.00 0.00 C ATOM 43 CE1 PHE A 3 19.069 0.652 1.097 1.00 0.00 C ATOM 44 CE2 PHE A 3 19.560 0.804 -1.283 1.00 0.00 C ATOM 45 CZ PHE A 3 19.227 0.033 -0.156 1.00 0.00 C ATOM 0 H PHE A 3 19.039 6.157 -1.973 1.00 0.00 H new ATOM 0 HA PHE A 3 17.997 4.407 -1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.559 4.663 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.856 4.612 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.117 2.516 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.988 2.785 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.817 0.059 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.684 0.329 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.093 -1.034 -0.252 1.00 0.00 H new ATOM 55 N TYR A 4 16.267 5.981 0.336 1.00 0.00 N ATOM 56 CA TYR A 4 14.977 6.135 1.030 1.00 0.00 C ATOM 57 C TYR A 4 15.069 6.523 2.524 1.00 0.00 C ATOM 58 O TYR A 4 14.099 6.352 3.264 1.00 0.00 O ATOM 59 CB TYR A 4 14.117 4.878 0.784 1.00 0.00 C ATOM 60 CG TYR A 4 14.154 4.368 -0.650 1.00 0.00 C ATOM 61 CD1 TYR A 4 13.417 5.028 -1.653 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.979 3.276 -0.989 1.00 0.00 C ATOM 63 CE1 TYR A 4 13.508 4.599 -2.993 1.00 0.00 C ATOM 64 CE2 TYR A 4 15.077 2.849 -2.328 1.00 0.00 C ATOM 65 CZ TYR A 4 14.340 3.512 -3.335 1.00 0.00 C ATOM 66 OH TYR A 4 14.433 3.113 -4.634 1.00 0.00 O ATOM 0 H TYR A 4 16.343 6.600 -0.471 1.00 0.00 H new ATOM 0 HA TYR A 4 14.485 7.004 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.456 4.084 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 4 13.084 5.100 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.782 5.863 -1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 4 15.538 2.765 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.939 5.104 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.715 2.016 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 4 15.048 2.353 -4.699 1.00 0.00 H new ATOM 76 N VAL A 5 16.211 7.046 2.992 1.00 0.00 N ATOM 77 CA VAL A 5 16.449 7.321 4.426 1.00 0.00 C ATOM 78 C VAL A 5 15.468 8.340 5.022 1.00 0.00 C ATOM 79 O VAL A 5 15.019 8.164 6.154 1.00 0.00 O ATOM 80 CB VAL A 5 17.909 7.734 4.715 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.884 6.633 4.282 1.00 0.00 C ATOM 82 CG2 VAL A 5 18.330 9.056 4.058 1.00 0.00 C ATOM 0 H VAL A 5 16.998 7.292 2.392 1.00 0.00 H new ATOM 0 HA VAL A 5 16.264 6.371 4.928 1.00 0.00 H new ATOM 0 HB VAL A 5 17.951 7.884 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.906 6.947 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.664 5.716 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.776 6.452 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.368 9.273 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 5 18.229 8.973 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.692 9.862 4.421 1.00 0.00 H new ATOM 92 N ALA A 6 15.073 9.362 4.254 1.00 0.00 N ATOM 93 CA ALA A 6 14.068 10.345 4.667 1.00 0.00 C ATOM 94 C ALA A 6 12.661 9.724 4.757 1.00 0.00 C ATOM 95 O ALA A 6 11.976 9.888 5.767 1.00 0.00 O ATOM 96 CB ALA A 6 14.107 11.523 3.685 1.00 0.00 C ATOM 0 H ALA A 6 15.446 9.530 3.320 1.00 0.00 H new ATOM 0 HA ALA A 6 14.303 10.701 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.364 12.265 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.098 11.976 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.886 11.166 2.679 1.00 0.00 H new ATOM 102 N LEU A 7 12.259 8.940 3.749 1.00 0.00 N ATOM 103 CA LEU A 7 10.999 8.182 3.736 1.00 0.00 C ATOM 104 C LEU A 7 10.912 7.256 4.966 1.00 0.00 C ATOM 105 O LEU A 7 9.903 7.219 5.667 1.00 0.00 O ATOM 106 CB LEU A 7 10.923 7.415 2.396 1.00 0.00 C ATOM 107 CG LEU A 7 9.522 6.988 1.912 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.660 6.336 0.534 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.816 5.983 2.824 1.00 0.00 C ATOM 0 H LEU A 7 12.811 8.811 2.901 1.00 0.00 H new ATOM 0 HA LEU A 7 10.139 8.848 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.373 8.038 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.539 6.520 2.483 1.00 0.00 H new ATOM 0 HG LEU A 7 8.918 7.895 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.677 6.028 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.092 7.052 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.309 5.463 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.839 5.739 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.416 5.076 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.690 6.418 3.816 1.00 0.00 H new ATOM 121 N THR A 8 12.014 6.574 5.283 1.00 0.00 N ATOM 122 CA THR A 8 12.143 5.664 6.435 1.00 0.00 C ATOM 123 C THR A 8 12.055 6.375 7.799 1.00 0.00 C ATOM 124 O THR A 8 11.680 5.739 8.786 1.00 0.00 O ATOM 125 CB THR A 8 13.452 4.854 6.325 1.00 0.00 C ATOM 126 OG1 THR A 8 13.527 4.211 5.067 1.00 0.00 O ATOM 127 CG2 THR A 8 13.580 3.730 7.356 1.00 0.00 C ATOM 0 H THR A 8 12.870 6.638 4.732 1.00 0.00 H new ATOM 0 HA THR A 8 11.287 4.990 6.396 1.00 0.00 H new ATOM 0 HB THR A 8 14.240 5.590 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.721 4.874 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.527 3.210 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.548 4.152 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.757 3.027 7.232 1.00 0.00 H new ATOM 135 N ALA A 9 12.336 7.685 7.876 1.00 0.00 N ATOM 136 CA ALA A 9 12.502 8.416 9.141 1.00 0.00 C ATOM 137 C ALA A 9 11.497 9.569 9.329 1.00 0.00 C ATOM 138 O ALA A 9 10.627 9.478 10.196 1.00 0.00 O ATOM 139 CB ALA A 9 13.957 8.895 9.232 1.00 0.00 C ATOM 0 H ALA A 9 12.456 8.273 7.051 1.00 0.00 H new ATOM 0 HA ALA A 9 12.280 7.735 9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.103 9.441 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.626 8.035 9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.178 9.551 8.390 1.00 0.00 H new ATOM 145 N VAL A 10 11.557 10.631 8.512 1.00 0.00 N ATOM 146 CA VAL A 10 10.626 11.781 8.602 1.00 0.00 C ATOM 147 C VAL A 10 9.232 11.491 8.022 1.00 0.00 C ATOM 148 O VAL A 10 8.298 12.255 8.272 1.00 0.00 O ATOM 149 CB VAL A 10 11.211 13.080 8.006 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.399 13.570 8.844 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.663 12.959 6.548 1.00 0.00 C ATOM 0 H VAL A 10 12.249 10.723 7.769 1.00 0.00 H new ATOM 0 HA VAL A 10 10.496 11.941 9.672 1.00 0.00 H new ATOM 0 HB VAL A 10 10.389 13.795 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.798 14.486 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.068 13.767 9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.176 12.806 8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.060 13.916 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.438 12.196 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.813 12.678 5.926 1.00 0.00 H new HETATM 161 N NLE A 11 9.068 10.358 7.323 1.00 0.00 N HETATM 162 CA NLE A 11 7.773 9.798 6.895 1.00 0.00 C HETATM 163 C NLE A 11 7.531 8.378 7.455 1.00 0.00 C HETATM 164 O NLE A 11 6.643 7.674 6.978 1.00 0.00 O HETATM 165 CB NLE A 11 7.627 9.835 5.360 1.00 0.00 C HETATM 166 CG NLE A 11 7.903 11.212 4.733 1.00 0.00 C HETATM 167 CD NLE A 11 7.689 11.238 3.211 1.00 0.00 C HETATM 168 CE NLE A 11 6.220 11.103 2.794 1.00 0.00 C HETATM 0 HG3 NLE A 11 7.252 11.953 5.198 1.00 0.00 H new HETATM 0 HG2 NLE A 11 8.929 11.506 4.954 1.00 0.00 H new HETATM 0 HE3 NLE A 11 5.823 10.157 3.162 1.00 0.00 H new HETATM 0 HE2 NLE A 11 5.645 11.927 3.217 1.00 0.00 H new HETATM 0 HE1 NLE A 11 6.146 11.130 1.707 1.00 0.00 H new HETATM 0 HD3 NLE A 11 8.086 12.172 2.813 1.00 0.00 H new HETATM 0 HD2 NLE A 11 8.262 10.429 2.758 1.00 0.00 H new HETATM 0 HB3 NLE A 11 8.310 9.106 4.924 1.00 0.00 H new HETATM 0 HB2 NLE A 11 6.617 9.524 5.095 1.00 0.00 H new HETATM 0 HA NLE A 11 6.997 10.435 7.319 1.00 0.00 H new ATOM 180 N VAL A 12 8.307 7.965 8.471 1.00 0.00 N ATOM 181 CA VAL A 12 8.198 6.705 9.245 1.00 0.00 C ATOM 182 C VAL A 12 7.863 5.434 8.433 1.00 0.00 C ATOM 183 O VAL A 12 7.115 4.566 8.886 1.00 0.00 O ATOM 184 CB VAL A 12 7.296 6.879 10.493 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.882 7.921 11.456 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.849 7.281 10.176 1.00 0.00 C ATOM 0 H VAL A 12 9.083 8.539 8.801 1.00 0.00 H new ATOM 0 HA VAL A 12 9.215 6.510 9.585 1.00 0.00 H new ATOM 0 HB VAL A 12 7.271 5.891 10.952 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.229 8.023 12.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.871 7.599 11.783 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.963 8.882 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.287 7.381 11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.844 8.233 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.387 6.515 9.553 1.00 0.00 H new ATOM 196 N ALA A 13 8.422 5.317 7.223 1.00 0.00 N ATOM 197 CA ALA A 13 8.167 4.242 6.256 1.00 0.00 C ATOM 198 C ALA A 13 6.672 4.035 5.908 1.00 0.00 C ATOM 199 O ALA A 13 6.225 2.902 5.717 1.00 0.00 O ATOM 200 CB ALA A 13 8.897 2.963 6.707 1.00 0.00 C ATOM 0 H ALA A 13 9.095 6.000 6.875 1.00 0.00 H new ATOM 0 HA ALA A 13 8.586 4.548 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.708 2.164 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.968 3.156 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.532 2.663 7.689 1.00 0.00 H new ATOM 206 N VAL A 14 5.891 5.123 5.811 1.00 0.00 N ATOM 207 CA VAL A 14 4.438 5.135 5.513 1.00 0.00 C ATOM 208 C VAL A 14 4.007 4.208 4.361 1.00 0.00 C ATOM 209 O VAL A 14 2.953 3.571 4.433 1.00 0.00 O ATOM 210 CB VAL A 14 3.943 6.585 5.307 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.570 7.285 4.093 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.416 6.670 5.191 1.00 0.00 C ATOM 0 H VAL A 14 6.265 6.063 5.943 1.00 0.00 H new ATOM 0 HA VAL A 14 3.949 4.712 6.390 1.00 0.00 H new ATOM 0 HB VAL A 14 4.270 7.108 6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.175 8.298 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.652 7.326 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.329 6.729 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.119 7.709 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.082 6.076 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.960 6.285 6.103 1.00 0.00 H new ATOM 222 N ALA A 15 4.845 4.066 3.328 1.00 0.00 N ATOM 223 CA ALA A 15 4.610 3.191 2.179 1.00 0.00 C ATOM 224 C ALA A 15 4.428 1.696 2.535 1.00 0.00 C ATOM 225 O ALA A 15 3.730 0.983 1.814 1.00 0.00 O ATOM 226 CB ALA A 15 5.766 3.387 1.189 1.00 0.00 C ATOM 0 H ALA A 15 5.729 4.571 3.269 1.00 0.00 H new ATOM 0 HA ALA A 15 3.657 3.479 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.615 2.745 0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.798 4.428 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.708 3.127 1.673 1.00 0.00 H new ATOM 232 N LEU A 16 4.999 1.215 3.648 1.00 0.00 N ATOM 233 CA LEU A 16 4.833 -0.164 4.128 1.00 0.00 C ATOM 234 C LEU A 16 3.377 -0.459 4.531 1.00 0.00 C ATOM 235 O LEU A 16 2.810 -1.479 4.137 1.00 0.00 O ATOM 236 CB LEU A 16 5.794 -0.385 5.313 1.00 0.00 C ATOM 237 CG LEU A 16 5.724 -1.783 5.959 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.085 -2.902 4.981 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.686 -1.850 7.146 1.00 0.00 C ATOM 0 H LEU A 16 5.598 1.781 4.249 1.00 0.00 H new ATOM 0 HA LEU A 16 5.073 -0.856 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.814 -0.210 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.582 0.363 6.077 1.00 0.00 H new ATOM 0 HG LEU A 16 4.693 -1.932 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.019 -3.864 5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.392 -2.888 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.101 -2.753 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.634 -2.839 7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.703 -1.662 6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.407 -1.097 7.883 1.00 0.00 H new ATOM 251 N TYR A 17 2.758 0.447 5.289 1.00 0.00 N ATOM 252 CA TYR A 17 1.366 0.321 5.732 1.00 0.00 C ATOM 253 C TYR A 17 0.382 0.507 4.567 1.00 0.00 C ATOM 254 O TYR A 17 -0.641 -0.177 4.511 1.00 0.00 O ATOM 255 CB TYR A 17 1.088 1.325 6.860 1.00 0.00 C ATOM 256 CG TYR A 17 2.126 1.297 7.970 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.077 0.312 8.976 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.175 2.234 7.960 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.082 0.264 9.963 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.180 2.195 8.943 1.00 0.00 C ATOM 261 CZ TYR A 17 4.137 1.204 9.949 1.00 0.00 C ATOM 262 OH TYR A 17 5.106 1.152 10.905 1.00 0.00 O ATOM 0 H TYR A 17 3.213 1.299 5.617 1.00 0.00 H new ATOM 0 HA TYR A 17 1.216 -0.689 6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.046 2.329 6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.107 1.117 7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.270 -0.406 8.991 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.209 2.991 7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.046 -0.493 10.732 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.981 2.919 8.929 1.00 0.00 H new ATOM 0 HH TYR A 17 5.757 1.868 10.750 1.00 0.00 H new ATOM 272 N ALA A 18 0.721 1.372 3.599 1.00 0.00 N ATOM 273 CA ALA A 18 -0.010 1.495 2.338 1.00 0.00 C ATOM 274 C ALA A 18 0.047 0.194 1.514 1.00 0.00 C ATOM 275 O ALA A 18 -0.998 -0.333 1.143 1.00 0.00 O ATOM 276 CB ALA A 18 0.538 2.697 1.557 1.00 0.00 C ATOM 0 H ALA A 18 1.515 2.007 3.674 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.065 1.666 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.002 2.796 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.408 3.604 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.598 2.546 1.353 1.00 0.00 H new ATOM 282 N TYR A 19 1.233 -0.390 1.296 1.00 0.00 N ATOM 283 CA TYR A 19 1.384 -1.703 0.646 1.00 0.00 C ATOM 284 C TYR A 19 0.575 -2.797 1.365 1.00 0.00 C ATOM 285 O TYR A 19 -0.093 -3.608 0.723 1.00 0.00 O ATOM 286 CB TYR A 19 2.875 -2.071 0.575 1.00 0.00 C ATOM 287 CG TYR A 19 3.166 -3.375 -0.147 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.177 -4.594 0.562 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.430 -3.367 -1.531 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.447 -5.802 -0.112 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.709 -4.572 -2.206 1.00 0.00 C ATOM 292 CZ TYR A 19 3.716 -5.794 -1.498 1.00 0.00 C ATOM 293 OH TYR A 19 3.989 -6.960 -2.141 1.00 0.00 O ATOM 0 H TYR A 19 2.120 0.035 1.566 1.00 0.00 H new ATOM 0 HA TYR A 19 0.983 -1.634 -0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.412 -1.265 0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.269 -2.135 1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.978 -4.602 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.418 -2.435 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.448 -6.735 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.918 -4.561 -3.266 1.00 0.00 H new ATOM 0 HH TYR A 19 4.150 -6.780 -3.091 1.00 0.00 H new ATOM 303 N GLY A 20 0.542 -2.757 2.700 1.00 0.00 N ATOM 304 CA GLY A 20 -0.230 -3.658 3.560 1.00 0.00 C ATOM 305 C GLY A 20 -1.761 -3.574 3.463 1.00 0.00 C ATOM 306 O GLY A 20 -2.439 -4.299 4.195 1.00 0.00 O ATOM 0 H GLY A 20 1.074 -2.068 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.068 -4.681 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.055 -3.466 4.594 1.00 0.00 H new ATOM 310 N LEU A 21 -2.313 -2.736 2.573 1.00 0.00 N ATOM 311 CA LEU A 21 -3.743 -2.717 2.227 1.00 0.00 C ATOM 312 C LEU A 21 -4.035 -2.471 0.733 1.00 0.00 C ATOM 313 O LEU A 21 -5.029 -2.979 0.215 1.00 0.00 O ATOM 314 CB LEU A 21 -4.480 -1.742 3.170 1.00 0.00 C ATOM 315 CG LEU A 21 -4.166 -0.241 2.999 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.136 0.442 2.030 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.293 0.478 4.344 1.00 0.00 C ATOM 0 H LEU A 21 -1.769 -2.040 2.064 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.137 -3.721 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.552 -1.883 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.249 -2.023 4.198 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.152 -0.178 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.878 1.497 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.068 -0.033 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.154 0.349 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.069 1.537 4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.309 0.366 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.591 0.044 5.056 1.00 0.00 H new HETATM 329 N ABA A 22 -3.151 -1.766 0.018 1.00 0.00 N HETATM 330 CA ABA A 22 -3.210 -1.581 -1.439 1.00 0.00 C HETATM 331 C ABA A 22 -2.692 -2.805 -2.218 1.00 0.00 C HETATM 332 O ABA A 22 -2.977 -2.933 -3.411 1.00 0.00 O HETATM 333 CB ABA A 22 -2.406 -0.333 -1.842 1.00 0.00 C HETATM 334 CG ABA A 22 -2.979 0.967 -1.261 1.00 0.00 C HETATM 0 HG3 ABA A 22 -2.977 0.911 -0.172 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.001 1.105 -1.615 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.367 1.810 -1.582 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.383 -0.259 -2.929 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.375 -0.449 -1.508 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.261 -1.454 -1.700 1.00 0.00 H new ATOM 342 N PHE A 23 -1.962 -3.713 -1.557 1.00 0.00 N ATOM 343 CA PHE A 23 -1.384 -4.923 -2.154 1.00 0.00 C ATOM 344 C PHE A 23 -1.630 -6.168 -1.289 1.00 0.00 C ATOM 345 O PHE A 23 -2.139 -7.165 -1.805 1.00 0.00 O ATOM 346 CB PHE A 23 0.126 -4.708 -2.398 1.00 0.00 C ATOM 347 CG PHE A 23 0.569 -4.892 -3.837 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.405 -6.135 -4.478 1.00 0.00 C ATOM 349 CD2 PHE A 23 1.172 -3.824 -4.533 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.845 -6.312 -5.802 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.613 -4.002 -5.857 1.00 0.00 C ATOM 352 CZ PHE A 23 1.452 -5.246 -6.491 1.00 0.00 C ATOM 0 H PHE A 23 -1.751 -3.623 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.881 -5.102 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.392 -3.701 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.684 -5.402 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.060 -6.955 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.296 -2.867 -4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.717 -7.267 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.076 -3.182 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.794 -5.384 -7.506 1.00 0.00 H new ATOM 362 N ARG A 24 -1.322 -6.102 0.020 1.00 0.00 N ATOM 363 CA ARG A 24 -1.463 -7.176 1.038 1.00 0.00 C ATOM 364 C ARG A 24 -1.077 -8.591 0.554 1.00 0.00 C ATOM 365 O ARG A 24 -1.696 -9.589 0.925 1.00 0.00 O ATOM 366 CB ARG A 24 -2.821 -7.058 1.774 1.00 0.00 C ATOM 367 CG ARG A 24 -4.106 -6.945 0.933 1.00 0.00 C ATOM 368 CD ARG A 24 -4.513 -8.228 0.201 1.00 0.00 C ATOM 369 NE ARG A 24 -5.746 -8.018 -0.581 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.853 -7.731 -1.864 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.828 -7.580 -2.654 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.041 -7.583 -2.368 1.00 0.00 N ATOM 0 H ARG A 24 -0.944 -5.246 0.427 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.695 -7.006 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.924 -7.929 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.771 -6.183 2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.924 -6.641 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.973 -6.151 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.707 -8.545 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.667 -9.030 0.923 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.623 -8.105 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.882 -7.684 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.972 -7.358 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.864 -7.689 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.151 -7.361 -3.357 1.00 0.00 H new ATOM 386 N LEU A 25 -0.051 -8.661 -0.300 1.00 0.00 N ATOM 387 CA LEU A 25 0.374 -9.858 -1.040 1.00 0.00 C ATOM 388 C LEU A 25 0.989 -10.959 -0.150 1.00 0.00 C ATOM 389 O LEU A 25 0.919 -12.145 -0.480 1.00 0.00 O ATOM 390 CB LEU A 25 1.389 -9.390 -2.104 1.00 0.00 C ATOM 391 CG LEU A 25 1.728 -10.415 -3.202 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.519 -10.735 -4.086 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.831 -9.853 -4.101 1.00 0.00 C ATOM 0 H LEU A 25 0.533 -7.850 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.505 -10.321 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.999 -8.491 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.313 -9.108 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 25 2.048 -11.329 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.806 -11.462 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.281 -11.148 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.171 -9.823 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.071 -10.578 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.488 -8.927 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.721 -9.653 -3.504 1.00 0.00 H new HETATM 405 N NLE A 26 1.596 -10.556 0.969 1.00 0.00 N HETATM 406 CA NLE A 26 2.330 -11.392 1.927 1.00 0.00 C HETATM 407 C NLE A 26 2.303 -10.757 3.330 1.00 0.00 C HETATM 408 O NLE A 26 2.063 -9.554 3.462 1.00 0.00 O HETATM 409 CB NLE A 26 3.772 -11.599 1.418 1.00 0.00 C HETATM 410 CG NLE A 26 4.597 -10.298 1.313 1.00 0.00 C HETATM 411 CD NLE A 26 5.945 -10.492 0.599 1.00 0.00 C HETATM 412 CE NLE A 26 5.802 -10.691 -0.916 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.014 -9.548 0.778 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.777 -9.907 2.315 1.00 0.00 H new HETATM 0 HE3 NLE A 26 5.196 -11.575 -1.111 1.00 0.00 H new HETATM 0 HE2 NLE A 26 5.320 -9.817 -1.354 1.00 0.00 H new HETATM 0 HE1 NLE A 26 6.789 -10.822 -1.360 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.577 -9.624 0.787 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.454 -11.356 1.026 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.286 -12.289 2.087 1.00 0.00 H new HETATM 0 HB2 NLE A 26 3.735 -12.073 0.437 1.00 0.00 H new HETATM 0 HA NLE A 26 1.850 -12.367 2.009 1.00 0.00 H new HETATM 0 H NLE A 26 1.159 -9.688 1.280 1.00 0.00 H new ATOM 424 N GLY A 27 2.542 -11.560 4.372 1.00 0.00 N ATOM 425 CA GLY A 27 2.300 -11.149 5.767 1.00 0.00 C ATOM 426 C GLY A 27 3.205 -11.757 6.845 1.00 0.00 C ATOM 427 O GLY A 27 2.997 -11.482 8.027 1.00 0.00 O ATOM 0 H GLY A 27 2.906 -12.508 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.393 -10.064 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.267 -11.393 6.016 1.00 0.00 H new ATOM 431 N ALA A 28 4.215 -12.552 6.475 1.00 0.00 N ATOM 432 CA ALA A 28 5.171 -13.134 7.428 1.00 0.00 C ATOM 433 C ALA A 28 6.090 -12.090 8.113 1.00 0.00 C ATOM 434 O ALA A 28 6.645 -12.367 9.181 1.00 0.00 O ATOM 435 CB ALA A 28 5.995 -14.197 6.690 1.00 0.00 C ATOM 0 H ALA A 28 4.394 -12.811 5.505 1.00 0.00 H new ATOM 0 HA ALA A 28 4.602 -13.581 8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.713 -14.644 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.330 -14.971 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.528 -13.733 5.860 1.00 0.00 H new ATOM 441 N SER A 29 6.241 -10.899 7.514 1.00 0.00 N ATOM 442 CA SER A 29 7.207 -9.860 7.930 1.00 0.00 C ATOM 443 C SER A 29 6.676 -8.417 7.791 1.00 0.00 C ATOM 444 O SER A 29 7.466 -7.468 7.810 1.00 0.00 O ATOM 445 CB SER A 29 8.515 -10.015 7.128 1.00 0.00 C ATOM 446 OG SER A 29 9.056 -11.327 7.221 1.00 0.00 O ATOM 0 H SER A 29 5.683 -10.621 6.707 1.00 0.00 H new ATOM 0 HA SER A 29 7.385 -10.017 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.327 -9.776 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.249 -9.296 7.492 1.00 0.00 H new ATOM 0 HG SER A 29 9.882 -11.378 6.697 1.00 0.00 H new ATOM 452 N GLY A 30 5.359 -8.214 7.644 1.00 0.00 N ATOM 453 CA GLY A 30 4.764 -6.874 7.510 1.00 0.00 C ATOM 454 C GLY A 30 3.224 -6.826 7.547 1.00 0.00 C ATOM 455 O GLY A 30 2.572 -7.878 7.556 1.00 0.00 O ATOM 0 H GLY A 30 4.676 -8.971 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.149 -6.243 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.101 -6.438 6.570 1.00 0.00 H new ATOM 459 N PRO A 31 2.627 -5.614 7.590 1.00 0.00 N ATOM 460 CA PRO A 31 1.175 -5.408 7.622 1.00 0.00 C ATOM 461 C PRO A 31 0.449 -6.071 6.438 1.00 0.00 C ATOM 462 O PRO A 31 0.928 -6.012 5.305 1.00 0.00 O ATOM 463 CB PRO A 31 0.966 -3.885 7.621 1.00 0.00 C ATOM 464 CG PRO A 31 2.303 -3.313 8.086 1.00 0.00 C ATOM 465 CD PRO A 31 3.314 -4.328 7.569 1.00 0.00 C ATOM 0 HA PRO A 31 0.747 -5.877 8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.703 -3.522 6.628 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.156 -3.595 8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.482 -2.320 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.345 -3.219 9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.642 -4.076 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.204 -4.349 8.198 1.00 0.00 H new ATOM 473 N ASN A 32 -0.701 -6.708 6.696 1.00 0.00 N ATOM 474 CA ASN A 32 -1.414 -7.532 5.700 1.00 0.00 C ATOM 475 C ASN A 32 -2.928 -7.732 5.969 1.00 0.00 C ATOM 476 O ASN A 32 -3.551 -8.596 5.349 1.00 0.00 O ATOM 477 CB ASN A 32 -0.671 -8.882 5.585 1.00 0.00 C ATOM 478 CG ASN A 32 -0.732 -9.725 6.850 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.597 -10.568 7.025 1.00 0.00 O ATOM 480 ND2 ASN A 32 0.188 -9.540 7.772 1.00 0.00 N ATOM 0 H ASN A 32 -1.167 -6.669 7.602 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.399 -6.989 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.097 -9.451 4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.373 -8.692 5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.175 -10.099 8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.915 -8.838 7.634 1.00 0.00 H new ATOM 487 N LYS A 33 -3.531 -6.970 6.897 1.00 0.00 N ATOM 488 CA LYS A 33 -4.847 -7.270 7.513 1.00 0.00 C ATOM 489 C LYS A 33 -5.951 -6.237 7.215 1.00 0.00 C ATOM 490 O LYS A 33 -6.982 -6.221 7.890 1.00 0.00 O ATOM 491 CB LYS A 33 -4.656 -7.509 9.028 1.00 0.00 C ATOM 492 CG LYS A 33 -3.780 -8.722 9.392 1.00 0.00 C ATOM 493 CD LYS A 33 -4.360 -10.054 8.887 1.00 0.00 C ATOM 494 CE LYS A 33 -3.559 -11.234 9.450 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.017 -12.524 8.873 1.00 0.00 N ATOM 0 H LYS A 33 -3.114 -6.109 7.251 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.220 -8.180 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.213 -6.615 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.637 -7.638 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.784 -8.583 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.666 -8.769 10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.405 -10.140 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.338 -10.078 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.500 -11.093 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.663 -11.262 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.456 -13.302 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.021 -12.669 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.895 -12.505 7.840 1.00 0.00 H new ATOM 509 N LYS A 34 -5.757 -5.395 6.194 1.00 0.00 N ATOM 510 CA LYS A 34 -6.736 -4.412 5.677 1.00 0.00 C ATOM 511 C LYS A 34 -6.757 -4.420 4.142 1.00 0.00 C ATOM 512 O LYS A 34 -5.898 -5.032 3.510 1.00 0.00 O ATOM 513 CB LYS A 34 -6.413 -3.008 6.233 1.00 0.00 C ATOM 514 CG LYS A 34 -6.671 -2.890 7.745 1.00 0.00 C ATOM 515 CD LYS A 34 -6.458 -1.447 8.232 1.00 0.00 C ATOM 516 CE LYS A 34 -6.799 -1.273 9.720 1.00 0.00 C ATOM 517 NZ LYS A 34 -5.834 -1.968 10.616 1.00 0.00 N ATOM 0 H LYS A 34 -4.877 -5.373 5.678 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.734 -4.692 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.369 -2.773 6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.016 -2.267 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.690 -3.206 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.003 -3.562 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.420 -1.160 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.075 -0.772 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.814 -0.211 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.802 -1.657 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.111 -1.818 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.837 -2.987 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.879 -1.585 10.462 1.00 0.00 H new ATOM 531 N GLU A 35 -7.725 -3.727 3.541 1.00 0.00 N ATOM 532 CA GLU A 35 -7.857 -3.536 2.085 1.00 0.00 C ATOM 533 C GLU A 35 -8.377 -2.119 1.766 1.00 0.00 C ATOM 534 O GLU A 35 -9.082 -1.524 2.587 1.00 0.00 O ATOM 535 CB GLU A 35 -8.809 -4.581 1.468 1.00 0.00 C ATOM 536 CG GLU A 35 -8.328 -6.029 1.636 1.00 0.00 C ATOM 537 CD GLU A 35 -9.183 -7.018 0.823 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.637 -7.650 -0.112 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.393 -7.179 1.122 1.00 0.00 O ATOM 0 H GLU A 35 -8.467 -3.265 4.067 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.866 -3.664 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.793 -4.479 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.929 -4.368 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.287 -6.104 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.362 -6.302 2.691 1.00 0.00 H new ATOM 546 N SER A 36 -8.042 -1.591 0.583 1.00 0.00 N ATOM 547 CA SER A 36 -8.396 -0.236 0.113 1.00 0.00 C ATOM 548 C SER A 36 -9.896 0.100 0.177 1.00 0.00 C ATOM 549 O SER A 36 -10.750 -0.757 -0.072 1.00 0.00 O ATOM 550 CB SER A 36 -7.934 -0.046 -1.338 1.00 0.00 C ATOM 551 OG SER A 36 -6.542 -0.269 -1.463 1.00 0.00 O ATOM 0 H SER A 36 -7.496 -2.112 -0.103 1.00 0.00 H new ATOM 0 HA SER A 36 -7.886 0.439 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.475 -0.733 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.175 0.964 -1.670 1.00 0.00 H new ATOM 0 HG SER A 36 -6.273 -0.143 -2.397 1.00 0.00 H new ATOM 557 N ARG A 37 -10.208 1.379 0.445 1.00 0.00 N ATOM 558 CA ARG A 37 -11.568 1.950 0.593 1.00 0.00 C ATOM 559 C ARG A 37 -11.683 3.320 -0.100 1.00 0.00 C ATOM 560 O ARG A 37 -10.694 3.848 -0.617 1.00 0.00 O ATOM 561 CB ARG A 37 -11.930 2.077 2.096 1.00 0.00 C ATOM 562 CG ARG A 37 -11.738 0.811 2.949 1.00 0.00 C ATOM 563 CD ARG A 37 -12.640 -0.360 2.532 1.00 0.00 C ATOM 564 NE ARG A 37 -12.096 -1.642 3.017 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.691 -2.819 2.983 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.881 -2.983 2.475 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.096 -3.872 3.465 1.00 0.00 N ATOM 0 H ARG A 37 -9.483 2.085 0.572 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.272 1.273 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.327 2.876 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.972 2.387 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.697 0.496 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.934 1.055 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.643 -0.212 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.730 -0.386 1.446 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.160 -1.616 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.384 -2.185 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.309 -3.909 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.164 -3.790 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.562 -4.779 3.436 1.00 0.00 H new ATOM 581 N GLY A 38 -12.880 3.911 -0.093 1.00 0.00 N ATOM 582 CA GLY A 38 -13.162 5.237 -0.662 1.00 0.00 C ATOM 583 C GLY A 38 -14.499 5.838 -0.200 1.00 0.00 C ATOM 584 O GLY A 38 -15.248 5.211 0.556 1.00 0.00 O ATOM 0 H GLY A 38 -13.703 3.472 0.319 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.355 5.918 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.164 5.163 -1.749 1.00 0.00 H new ATOM 588 N ARG A 39 -14.793 7.064 -0.658 1.00 0.00 N ATOM 589 CA ARG A 39 -15.953 7.892 -0.239 1.00 0.00 C ATOM 590 C ARG A 39 -16.762 8.484 -1.413 1.00 0.00 C ATOM 591 O ARG A 39 -17.581 9.385 -1.212 1.00 0.00 O ATOM 592 CB ARG A 39 -15.467 8.988 0.737 1.00 0.00 C ATOM 593 CG ARG A 39 -15.032 8.428 2.102 1.00 0.00 C ATOM 594 CD ARG A 39 -14.656 9.568 3.057 1.00 0.00 C ATOM 595 NE ARG A 39 -14.415 9.072 4.427 1.00 0.00 N ATOM 596 CZ ARG A 39 -14.180 9.808 5.501 1.00 0.00 C ATOM 597 NH1 ARG A 39 -14.079 11.107 5.444 1.00 0.00 N ATOM 598 NH2 ARG A 39 -14.042 9.246 6.668 1.00 0.00 N ATOM 0 H ARG A 39 -14.214 7.530 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 39 -16.657 7.232 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -14.631 9.523 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.266 9.714 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.840 7.837 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.181 7.759 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.762 10.072 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.455 10.309 3.073 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.431 8.061 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.182 11.588 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.897 11.642 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.115 8.233 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.861 9.819 7.492 1.00 0.00 H new ATOM 612 N GLY A 40 -16.553 7.988 -2.637 1.00 0.00 N ATOM 613 CA GLY A 40 -17.296 8.420 -3.833 1.00 0.00 C ATOM 614 C GLY A 40 -16.839 7.787 -5.158 1.00 0.00 C ATOM 615 O GLY A 40 -17.624 7.674 -6.098 1.00 0.00 O ATOM 0 H GLY A 40 -15.857 7.268 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.352 8.192 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.213 9.503 -3.920 1.00 0.00 H new HETATM 619 N NH2 A 41 -15.595 7.333 -5.259 1.00 0.00 N TER 622 NH2 A 41