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+ 144:sc= 0.0196 (180deg=-0.00374) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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= 0.356 K(o=0.36,f=-1.9!) 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 18.203 9.164 -6.777 1.00 0.00 N ATOM 2 CA VAL A 1 17.848 8.372 -5.564 1.00 0.00 C ATOM 3 C VAL A 1 18.699 8.776 -4.357 1.00 0.00 C ATOM 4 O VAL A 1 19.851 9.179 -4.513 1.00 0.00 O ATOM 5 CB VAL A 1 17.930 6.841 -5.777 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.766 6.340 -6.639 1.00 0.00 C ATOM 7 CG2 VAL A 1 19.249 6.354 -6.397 1.00 0.00 C ATOM 0 H1 VAL A 1 18.129 8.560 -7.620 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.551 9.969 -6.869 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.177 9.517 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 1 16.804 8.612 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 1 17.874 6.422 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.850 5.261 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.822 6.573 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.797 6.829 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 1 19.219 5.270 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 1 19.385 6.818 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 1 20.080 6.628 -5.747 1.00 0.00 H new ATOM 19 N VAL A 2 18.135 8.649 -3.148 1.00 0.00 N ATOM 20 CA VAL A 2 18.789 8.941 -1.846 1.00 0.00 C ATOM 21 C VAL A 2 18.544 7.821 -0.815 1.00 0.00 C ATOM 22 O VAL A 2 18.514 8.060 0.393 1.00 0.00 O ATOM 23 CB VAL A 2 18.371 10.330 -1.296 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.862 11.468 -2.198 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.854 10.479 -1.108 1.00 0.00 C ATOM 0 H VAL A 2 17.173 8.328 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 2 19.863 8.975 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 2 18.846 10.397 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.550 12.425 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.950 11.438 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.436 11.352 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.631 11.473 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.353 10.342 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.499 9.727 -0.403 1.00 0.00 H new ATOM 35 N PHE A 3 18.303 6.592 -1.292 1.00 0.00 N ATOM 36 CA PHE A 3 17.860 5.423 -0.507 1.00 0.00 C ATOM 37 C PHE A 3 16.679 5.718 0.452 1.00 0.00 C ATOM 38 O PHE A 3 16.584 5.175 1.554 1.00 0.00 O ATOM 39 CB PHE A 3 19.082 4.747 0.144 1.00 0.00 C ATOM 40 CG PHE A 3 18.835 3.348 0.689 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.089 3.060 2.045 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.360 2.326 -0.158 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.858 1.768 2.552 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.121 1.036 0.350 1.00 0.00 C ATOM 45 CZ PHE A 3 18.370 0.757 1.706 1.00 0.00 C ATOM 0 H PHE A 3 18.416 6.372 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 3 17.417 4.696 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.884 4.696 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.436 5.379 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.463 3.835 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.179 2.534 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.056 1.553 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.746 0.260 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.186 -0.233 2.097 1.00 0.00 H new ATOM 55 N TYR A 4 15.764 6.592 0.007 1.00 0.00 N ATOM 56 CA TYR A 4 14.475 6.923 0.640 1.00 0.00 C ATOM 57 C TYR A 4 14.547 7.433 2.096 1.00 0.00 C ATOM 58 O TYR A 4 13.535 7.421 2.796 1.00 0.00 O ATOM 59 CB TYR A 4 13.508 5.733 0.468 1.00 0.00 C ATOM 60 CG TYR A 4 13.422 5.205 -0.954 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.624 5.874 -1.904 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.171 4.073 -1.337 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.583 5.418 -3.236 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.136 3.618 -2.670 1.00 0.00 C ATOM 65 CZ TYR A 4 13.340 4.291 -3.624 1.00 0.00 C ATOM 66 OH TYR A 4 13.303 3.864 -4.917 1.00 0.00 O ATOM 0 H TYR A 4 15.911 7.118 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 4 14.089 7.796 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.824 4.924 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.513 6.037 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.044 6.736 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.773 3.553 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.971 5.932 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.717 2.756 -2.962 1.00 0.00 H new ATOM 0 HH TYR A 4 13.880 3.078 -5.019 1.00 0.00 H new ATOM 76 N VAL A 5 15.712 7.903 2.565 1.00 0.00 N ATOM 77 CA VAL A 5 15.973 8.224 3.987 1.00 0.00 C ATOM 78 C VAL A 5 14.948 9.160 4.646 1.00 0.00 C ATOM 79 O VAL A 5 14.613 8.957 5.812 1.00 0.00 O ATOM 80 CB VAL A 5 17.400 8.769 4.208 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.445 7.677 3.946 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.733 10.001 3.354 1.00 0.00 C ATOM 0 H VAL A 5 16.516 8.076 1.962 1.00 0.00 H new ATOM 0 HA VAL A 5 15.868 7.262 4.488 1.00 0.00 H new ATOM 0 HB VAL A 5 17.432 9.084 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.444 8.083 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.278 6.843 4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.357 7.329 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.752 10.325 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.645 9.746 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.039 10.807 3.592 1.00 0.00 H new ATOM 92 N ALA A 6 14.407 10.143 3.917 1.00 0.00 N ATOM 93 CA ALA A 6 13.345 11.023 4.417 1.00 0.00 C ATOM 94 C ALA A 6 11.995 10.291 4.555 1.00 0.00 C ATOM 95 O ALA A 6 11.345 10.378 5.597 1.00 0.00 O ATOM 96 CB ALA A 6 13.234 12.234 3.481 1.00 0.00 C ATOM 0 H ALA A 6 14.695 10.351 2.961 1.00 0.00 H new ATOM 0 HA ALA A 6 13.606 11.356 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.448 12.899 3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.183 12.769 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.992 11.894 2.474 1.00 0.00 H new ATOM 102 N LEU A 7 11.592 9.518 3.540 1.00 0.00 N ATOM 103 CA LEU A 7 10.364 8.710 3.545 1.00 0.00 C ATOM 104 C LEU A 7 10.367 7.723 4.728 1.00 0.00 C ATOM 105 O LEU A 7 9.408 7.641 5.494 1.00 0.00 O ATOM 106 CB LEU A 7 10.245 8.003 2.177 1.00 0.00 C ATOM 107 CG LEU A 7 8.819 7.628 1.724 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.896 7.005 0.327 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.106 6.627 2.636 1.00 0.00 C ATOM 0 H LEU A 7 12.121 9.434 2.672 1.00 0.00 H new ATOM 0 HA LEU A 7 9.487 9.343 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.686 8.649 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.844 7.093 2.209 1.00 0.00 H new ATOM 0 HG LEU A 7 8.243 8.553 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.894 6.735 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.328 7.724 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.520 6.112 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.111 6.421 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.679 5.701 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.020 7.046 3.639 1.00 0.00 H new ATOM 121 N THR A 8 11.490 7.036 4.939 1.00 0.00 N ATOM 122 CA THR A 8 11.698 6.068 6.031 1.00 0.00 C ATOM 123 C THR A 8 11.779 6.714 7.433 1.00 0.00 C ATOM 124 O THR A 8 11.775 5.992 8.430 1.00 0.00 O ATOM 125 CB THR A 8 12.939 5.194 5.735 1.00 0.00 C ATOM 126 OG1 THR A 8 12.956 4.818 4.372 1.00 0.00 O ATOM 127 CG2 THR A 8 12.972 3.863 6.493 1.00 0.00 C ATOM 0 H THR A 8 12.309 7.137 4.339 1.00 0.00 H new ATOM 0 HA THR A 8 10.811 5.435 6.062 1.00 0.00 H new ATOM 0 HB THR A 8 13.780 5.817 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.746 4.266 4.195 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.875 3.315 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.968 4.055 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.096 3.271 6.227 1.00 0.00 H new ATOM 135 N ALA A 9 11.801 8.053 7.550 1.00 0.00 N ATOM 136 CA ALA A 9 11.982 8.768 8.824 1.00 0.00 C ATOM 137 C ALA A 9 10.908 9.843 9.094 1.00 0.00 C ATOM 138 O ALA A 9 10.044 9.630 9.945 1.00 0.00 O ATOM 139 CB ALA A 9 13.405 9.343 8.862 1.00 0.00 C ATOM 0 H ALA A 9 11.692 8.677 6.751 1.00 0.00 H new ATOM 0 HA ALA A 9 11.850 8.054 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.557 9.877 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.128 8.531 8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.542 10.030 8.027 1.00 0.00 H new ATOM 145 N VAL A 10 10.908 10.973 8.374 1.00 0.00 N ATOM 146 CA VAL A 10 9.923 12.065 8.568 1.00 0.00 C ATOM 147 C VAL A 10 8.521 11.736 8.029 1.00 0.00 C ATOM 148 O VAL A 10 7.551 12.384 8.426 1.00 0.00 O ATOM 149 CB VAL A 10 10.409 13.422 8.013 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.578 13.957 8.848 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.835 13.384 6.543 1.00 0.00 C ATOM 0 H VAL A 10 11.588 11.163 7.638 1.00 0.00 H new ATOM 0 HA VAL A 10 9.837 12.157 9.651 1.00 0.00 H new ATOM 0 HB VAL A 10 9.544 14.082 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.907 14.914 8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.256 14.092 9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.404 13.246 8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.162 14.377 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.655 12.677 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.991 13.071 5.928 1.00 0.00 H new HETATM 161 N NLE A 11 8.399 10.691 7.201 1.00 0.00 N HETATM 162 CA NLE A 11 7.125 10.078 6.780 1.00 0.00 C HETATM 163 C NLE A 11 6.967 8.643 7.330 1.00 0.00 C HETATM 164 O NLE A 11 6.146 7.873 6.832 1.00 0.00 O HETATM 165 CB NLE A 11 6.970 10.125 5.248 1.00 0.00 C HETATM 166 CG NLE A 11 7.060 11.542 4.654 1.00 0.00 C HETATM 167 CD NLE A 11 7.009 11.560 3.116 1.00 0.00 C HETATM 168 CE NLE A 11 5.703 11.014 2.529 1.00 0.00 C HETATM 0 HG3 NLE A 11 6.241 12.145 5.045 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.987 12.010 4.986 1.00 0.00 H new HETATM 0 HE3 NLE A 11 5.568 9.979 2.843 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.865 11.614 2.885 1.00 0.00 H new HETATM 0 HE1 NLE A 11 5.746 11.061 1.441 1.00 0.00 H new HETATM 0 HD3 NLE A 11 7.151 12.584 2.770 1.00 0.00 H new HETATM 0 HD2 NLE A 11 7.842 10.974 2.728 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.742 9.503 4.796 1.00 0.00 H new HETATM 0 HB2 NLE A 11 6.009 9.688 4.977 1.00 0.00 H new HETATM 0 HA NLE A 11 6.317 10.668 7.212 1.00 0.00 H new ATOM 180 N VAL A 12 7.745 8.291 8.366 1.00 0.00 N ATOM 181 CA VAL A 12 7.695 7.042 9.161 1.00 0.00 C ATOM 182 C VAL A 12 7.486 5.740 8.360 1.00 0.00 C ATOM 183 O VAL A 12 6.806 4.817 8.812 1.00 0.00 O ATOM 184 CB VAL A 12 6.736 7.175 10.370 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.199 8.288 11.320 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.274 7.449 9.990 1.00 0.00 C ATOM 0 H VAL A 12 8.481 8.914 8.699 1.00 0.00 H new ATOM 0 HA VAL A 12 8.707 6.922 9.547 1.00 0.00 H new ATOM 0 HB VAL A 12 6.774 6.201 10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.508 8.360 12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.198 8.058 11.690 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.220 9.237 10.785 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.672 7.528 10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.212 8.382 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.899 6.631 9.374 1.00 0.00 H new ATOM 196 N ALA A 13 8.083 5.652 7.165 1.00 0.00 N ATOM 197 CA ALA A 13 7.954 4.531 6.226 1.00 0.00 C ATOM 198 C ALA A 13 6.494 4.192 5.834 1.00 0.00 C ATOM 199 O ALA A 13 6.146 3.022 5.654 1.00 0.00 O ATOM 200 CB ALA A 13 8.760 3.329 6.750 1.00 0.00 C ATOM 0 H ALA A 13 8.693 6.389 6.812 1.00 0.00 H new ATOM 0 HA ALA A 13 8.387 4.840 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.665 2.496 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.810 3.607 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.377 3.032 7.726 1.00 0.00 H new ATOM 206 N VAL A 14 5.635 5.213 5.683 1.00 0.00 N ATOM 207 CA VAL A 14 4.205 5.111 5.303 1.00 0.00 C ATOM 208 C VAL A 14 3.912 4.156 4.132 1.00 0.00 C ATOM 209 O VAL A 14 2.868 3.500 4.119 1.00 0.00 O ATOM 210 CB VAL A 14 3.612 6.518 5.066 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.239 7.255 3.874 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.090 6.495 4.890 1.00 0.00 C ATOM 0 H VAL A 14 5.926 6.180 5.828 1.00 0.00 H new ATOM 0 HA VAL A 14 3.702 4.648 6.152 1.00 0.00 H new ATOM 0 HB VAL A 14 3.860 7.067 5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.775 8.235 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.309 7.377 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.079 6.677 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.727 7.510 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.832 5.875 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.626 6.084 5.787 1.00 0.00 H new ATOM 222 N ALA A 15 4.849 4.005 3.190 1.00 0.00 N ATOM 223 CA ALA A 15 4.768 3.062 2.073 1.00 0.00 C ATOM 224 C ALA A 15 4.502 1.599 2.493 1.00 0.00 C ATOM 225 O ALA A 15 3.760 0.898 1.804 1.00 0.00 O ATOM 226 CB ALA A 15 6.064 3.180 1.259 1.00 0.00 C ATOM 0 H ALA A 15 5.710 4.553 3.185 1.00 0.00 H new ATOM 0 HA ALA A 15 3.900 3.331 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.030 2.487 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.167 4.199 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.916 2.939 1.894 1.00 0.00 H new ATOM 232 N LEU A 16 5.045 1.137 3.630 1.00 0.00 N ATOM 233 CA LEU A 16 4.787 -0.203 4.183 1.00 0.00 C ATOM 234 C LEU A 16 3.307 -0.384 4.555 1.00 0.00 C ATOM 235 O LEU A 16 2.665 -1.359 4.160 1.00 0.00 O ATOM 236 CB LEU A 16 5.693 -0.406 5.418 1.00 0.00 C ATOM 237 CG LEU A 16 5.427 -1.691 6.231 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.625 -2.964 5.405 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.371 -1.744 7.432 1.00 0.00 C ATOM 0 H LEU A 16 5.685 1.691 4.200 1.00 0.00 H new ATOM 0 HA LEU A 16 5.016 -0.954 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.732 -0.414 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.575 0.453 6.079 1.00 0.00 H new ATOM 0 HG LEU A 16 4.385 -1.652 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.425 -3.836 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.940 -2.958 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.652 -3.006 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.181 -2.652 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.404 -1.744 7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.202 -0.874 8.066 1.00 0.00 H new ATOM 251 N TYR A 17 2.765 0.569 5.310 1.00 0.00 N ATOM 252 CA TYR A 17 1.395 0.528 5.824 1.00 0.00 C ATOM 253 C TYR A 17 0.351 0.747 4.715 1.00 0.00 C ATOM 254 O TYR A 17 -0.742 0.181 4.781 1.00 0.00 O ATOM 255 CB TYR A 17 1.273 1.538 6.974 1.00 0.00 C ATOM 256 CG TYR A 17 2.331 1.324 8.050 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.270 0.191 8.885 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.422 2.210 8.158 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.296 -0.058 9.819 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.449 1.967 9.090 1.00 0.00 C ATOM 261 CZ TYR A 17 4.391 0.829 9.922 1.00 0.00 C ATOM 262 OH TYR A 17 5.383 0.577 10.820 1.00 0.00 O ATOM 0 H TYR A 17 3.274 1.408 5.588 1.00 0.00 H new ATOM 0 HA TYR A 17 1.181 -0.468 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.362 2.549 6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.282 1.457 7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.434 -0.489 8.809 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.470 3.081 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.245 -0.928 10.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.281 2.651 9.168 1.00 0.00 H new ATOM 0 HH TYR A 17 6.062 1.282 10.764 1.00 0.00 H new ATOM 272 N ALA A 18 0.708 1.483 3.654 1.00 0.00 N ATOM 273 CA ALA A 18 -0.058 1.545 2.410 1.00 0.00 C ATOM 274 C ALA A 18 -0.022 0.210 1.638 1.00 0.00 C ATOM 275 O ALA A 18 -1.076 -0.350 1.339 1.00 0.00 O ATOM 276 CB ALA A 18 0.475 2.708 1.564 1.00 0.00 C ATOM 0 H ALA A 18 1.550 2.059 3.639 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.108 1.720 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.087 2.767 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.362 3.641 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.529 2.543 1.342 1.00 0.00 H new ATOM 282 N TYR A 19 1.162 -0.354 1.357 1.00 0.00 N ATOM 283 CA TYR A 19 1.313 -1.639 0.648 1.00 0.00 C ATOM 284 C TYR A 19 0.544 -2.784 1.332 1.00 0.00 C ATOM 285 O TYR A 19 -0.104 -3.597 0.666 1.00 0.00 O ATOM 286 CB TYR A 19 2.809 -1.975 0.527 1.00 0.00 C ATOM 287 CG TYR A 19 3.108 -3.248 -0.247 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.163 -4.488 0.421 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.328 -3.191 -1.637 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.419 -5.670 -0.301 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.593 -4.370 -2.362 1.00 0.00 C ATOM 292 CZ TYR A 19 3.632 -5.616 -1.696 1.00 0.00 C ATOM 293 OH TYR A 19 3.874 -6.762 -2.389 1.00 0.00 O ATOM 0 H TYR A 19 2.052 0.071 1.617 1.00 0.00 H new ATOM 0 HA TYR A 19 0.878 -1.532 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.318 -1.142 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.230 -2.066 1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.008 -4.532 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.293 -2.241 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.452 -6.619 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.766 -4.321 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 19 3.997 -6.551 -3.338 1.00 0.00 H new ATOM 303 N GLY A 20 0.525 -2.790 2.667 1.00 0.00 N ATOM 304 CA GLY A 20 -0.203 -3.752 3.497 1.00 0.00 C ATOM 305 C GLY A 20 -1.739 -3.721 3.403 1.00 0.00 C ATOM 306 O GLY A 20 -2.399 -4.496 4.101 1.00 0.00 O ATOM 0 H GLY A 20 1.035 -2.100 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.134 -4.754 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.078 -3.586 4.537 1.00 0.00 H new ATOM 310 N LEU A 21 -2.319 -2.868 2.546 1.00 0.00 N ATOM 311 CA LEU A 21 -3.742 -2.899 2.170 1.00 0.00 C ATOM 312 C LEU A 21 -4.000 -2.606 0.678 1.00 0.00 C ATOM 313 O LEU A 21 -4.948 -3.145 0.107 1.00 0.00 O ATOM 314 CB LEU A 21 -4.534 -1.977 3.119 1.00 0.00 C ATOM 315 CG LEU A 21 -4.391 -0.455 2.914 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.452 0.104 1.959 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.570 0.266 4.252 1.00 0.00 C ATOM 0 H LEU A 21 -1.801 -2.120 2.084 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.103 -3.920 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.590 -2.231 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.235 -2.209 4.141 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.400 -0.289 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.310 1.179 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.356 -0.378 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.445 -0.090 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.468 1.341 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.560 0.048 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.810 -0.076 4.954 1.00 0.00 H new HETATM 329 N ABA A 22 -3.142 -1.809 0.032 1.00 0.00 N HETATM 330 CA ABA A 22 -3.196 -1.505 -1.406 1.00 0.00 C HETATM 331 C ABA A 22 -2.645 -2.645 -2.285 1.00 0.00 C HETATM 332 O ABA A 22 -2.938 -2.694 -3.480 1.00 0.00 O HETATM 333 CB ABA A 22 -2.444 -0.195 -1.694 1.00 0.00 C HETATM 334 CG ABA A 22 -3.098 1.019 -1.020 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.113 0.872 0.060 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.119 1.132 -1.385 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.527 1.917 -1.256 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.405 -0.031 -2.771 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.414 -0.287 -1.348 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.248 -1.393 -1.668 1.00 0.00 H new ATOM 342 N PHE A 23 -1.898 -3.586 -1.694 1.00 0.00 N ATOM 343 CA PHE A 23 -1.461 -4.839 -2.323 1.00 0.00 C ATOM 344 C PHE A 23 -1.876 -6.054 -1.486 1.00 0.00 C ATOM 345 O PHE A 23 -2.546 -6.942 -2.015 1.00 0.00 O ATOM 346 CB PHE A 23 0.065 -4.825 -2.540 1.00 0.00 C ATOM 347 CG PHE A 23 0.497 -4.498 -3.956 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.544 -5.521 -4.923 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.888 -3.191 -4.302 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.986 -5.241 -6.229 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.335 -2.912 -5.607 1.00 0.00 C ATOM 352 CZ PHE A 23 1.384 -3.936 -6.569 1.00 0.00 C ATOM 0 H PHE A 23 -1.570 -3.493 -0.733 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.952 -4.920 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.509 -4.097 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.467 -5.801 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.240 -6.524 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.845 -2.402 -3.566 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.020 -6.027 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.641 -1.910 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.728 -3.720 -7.570 1.00 0.00 H new ATOM 362 N ARG A 24 -1.510 -6.092 -0.191 1.00 0.00 N ATOM 363 CA ARG A 24 -1.707 -7.224 0.752 1.00 0.00 C ATOM 364 C ARG A 24 -1.430 -8.630 0.172 1.00 0.00 C ATOM 365 O ARG A 24 -2.014 -9.624 0.602 1.00 0.00 O ATOM 366 CB ARG A 24 -3.046 -7.072 1.517 1.00 0.00 C ATOM 367 CG ARG A 24 -4.349 -6.950 0.705 1.00 0.00 C ATOM 368 CD ARG A 24 -4.780 -8.232 -0.018 1.00 0.00 C ATOM 369 NE ARG A 24 -6.063 -8.039 -0.722 1.00 0.00 N ATOM 370 CZ ARG A 24 -6.241 -7.659 -1.974 1.00 0.00 C ATOM 371 NH1 ARG A 24 -5.254 -7.378 -2.776 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.448 -7.548 -2.443 1.00 0.00 N ATOM 0 H ARG A 24 -1.046 -5.300 0.253 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.912 -7.152 1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.148 -7.931 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.967 -6.189 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.151 -6.641 1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.228 -6.157 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.011 -8.527 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.875 -9.045 0.702 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.908 -8.220 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.292 -7.447 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.443 -7.089 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.248 -7.754 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.595 -7.255 -3.409 1.00 0.00 H new ATOM 386 N LEU A 25 -0.528 -8.704 -0.813 1.00 0.00 N ATOM 387 CA LEU A 25 -0.172 -9.902 -1.592 1.00 0.00 C ATOM 388 C LEU A 25 0.572 -10.975 -0.765 1.00 0.00 C ATOM 389 O LEU A 25 0.653 -12.138 -1.165 1.00 0.00 O ATOM 390 CB LEU A 25 0.670 -9.406 -2.790 1.00 0.00 C ATOM 391 CG LEU A 25 1.023 -10.449 -3.867 1.00 0.00 C ATOM 392 CD1 LEU A 25 -0.219 -11.064 -4.519 1.00 0.00 C ATOM 393 CD2 LEU A 25 1.847 -9.777 -4.968 1.00 0.00 C ATOM 0 H LEU A 25 0.005 -7.885 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.077 -10.410 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.130 -8.590 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.600 -8.989 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 25 1.581 -11.244 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.087 -11.792 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.822 -11.559 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.807 -10.279 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.100 -10.511 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.266 -8.971 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.763 -9.370 -4.540 1.00 0.00 H new HETATM 405 N NLE A 26 1.096 -10.578 0.397 1.00 0.00 N HETATM 406 CA NLE A 26 1.859 -11.374 1.361 1.00 0.00 C HETATM 407 C NLE A 26 1.613 -10.854 2.791 1.00 0.00 C HETATM 408 O NLE A 26 1.182 -9.712 2.971 1.00 0.00 O HETATM 409 CB NLE A 26 3.353 -11.323 0.983 1.00 0.00 C HETATM 410 CG NLE A 26 3.948 -9.898 0.983 1.00 0.00 C HETATM 411 CD NLE A 26 5.412 -9.840 0.520 1.00 0.00 C HETATM 412 CE NLE A 26 5.593 -10.171 -0.967 1.00 0.00 C HETATM 0 HG3 NLE A 26 3.346 -9.262 0.334 1.00 0.00 H new HETATM 0 HG2 NLE A 26 3.878 -9.484 1.989 1.00 0.00 H new HETATM 0 HE3 NLE A 26 5.227 -11.179 -1.162 1.00 0.00 H new HETATM 0 HE2 NLE A 26 5.030 -9.458 -1.570 1.00 0.00 H new HETATM 0 HE1 NLE A 26 6.650 -10.112 -1.227 1.00 0.00 H new HETATM 0 HD3 NLE A 26 5.808 -8.843 0.714 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.002 -10.538 1.115 1.00 0.00 H new HETATM 0 HB3 NLE A 26 3.916 -11.942 1.682 1.00 0.00 H new HETATM 0 HB2 NLE A 26 3.483 -11.761 -0.007 1.00 0.00 H new HETATM 0 HA NLE A 26 1.531 -12.413 1.333 1.00 0.00 H new HETATM 0 H NLE A 26 0.512 -9.807 0.721 1.00 0.00 H new ATOM 424 N GLY A 27 1.895 -11.682 3.802 1.00 0.00 N ATOM 425 CA GLY A 27 1.600 -11.368 5.211 1.00 0.00 C ATOM 426 C GLY A 27 2.549 -11.964 6.259 1.00 0.00 C ATOM 427 O GLY A 27 2.412 -11.657 7.443 1.00 0.00 O ATOM 0 H GLY A 27 2.336 -12.592 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.602 -10.284 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.589 -11.710 5.432 1.00 0.00 H new ATOM 431 N ALA A 28 3.537 -12.770 5.855 1.00 0.00 N ATOM 432 CA ALA A 28 4.563 -13.314 6.755 1.00 0.00 C ATOM 433 C ALA A 28 5.554 -12.252 7.296 1.00 0.00 C ATOM 434 O ALA A 28 6.276 -12.521 8.262 1.00 0.00 O ATOM 435 CB ALA A 28 5.301 -14.434 6.010 1.00 0.00 C ATOM 0 H ALA A 28 3.649 -13.066 4.885 1.00 0.00 H new ATOM 0 HA ALA A 28 4.063 -13.700 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.070 -14.856 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.592 -15.214 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.766 -14.028 5.111 1.00 0.00 H new ATOM 441 N SER A 29 5.586 -11.055 6.692 1.00 0.00 N ATOM 442 CA SER A 29 6.587 -9.999 6.949 1.00 0.00 C ATOM 443 C SER A 29 6.003 -8.570 6.972 1.00 0.00 C ATOM 444 O SER A 29 6.761 -7.597 6.931 1.00 0.00 O ATOM 445 CB SER A 29 7.709 -10.083 5.896 1.00 0.00 C ATOM 446 OG SER A 29 8.284 -11.382 5.822 1.00 0.00 O ATOM 0 H SER A 29 4.898 -10.783 5.990 1.00 0.00 H new ATOM 0 HA SER A 29 6.976 -10.185 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.309 -9.809 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.486 -9.357 6.137 1.00 0.00 H new ATOM 0 HG SER A 29 8.989 -11.389 5.141 1.00 0.00 H new ATOM 452 N GLY A 30 4.674 -8.407 7.025 1.00 0.00 N ATOM 453 CA GLY A 30 4.018 -7.090 7.022 1.00 0.00 C ATOM 454 C GLY A 30 2.485 -7.121 7.174 1.00 0.00 C ATOM 455 O GLY A 30 1.893 -8.207 7.240 1.00 0.00 O ATOM 0 H GLY A 30 4.020 -9.188 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.435 -6.492 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.265 -6.581 6.090 1.00 0.00 H new ATOM 459 N PRO A 31 1.829 -5.942 7.245 1.00 0.00 N ATOM 460 CA PRO A 31 0.371 -5.836 7.360 1.00 0.00 C ATOM 461 C PRO A 31 -0.344 -6.491 6.166 1.00 0.00 C ATOM 462 O PRO A 31 0.156 -6.454 5.040 1.00 0.00 O ATOM 463 CB PRO A 31 0.046 -4.338 7.460 1.00 0.00 C ATOM 464 CG PRO A 31 1.391 -3.616 7.557 1.00 0.00 C ATOM 465 CD PRO A 31 2.432 -4.627 7.083 1.00 0.00 C ATOM 0 HA PRO A 31 0.016 -6.369 8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.514 -4.002 6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.571 -4.131 8.334 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.402 -2.721 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.592 -3.296 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.701 -4.448 6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.348 -4.545 7.668 1.00 0.00 H new ATOM 473 N ASN A 32 -1.507 -7.109 6.409 1.00 0.00 N ATOM 474 CA ASN A 32 -2.206 -7.930 5.406 1.00 0.00 C ATOM 475 C ASN A 32 -3.729 -8.101 5.645 1.00 0.00 C ATOM 476 O ASN A 32 -4.352 -8.978 5.041 1.00 0.00 O ATOM 477 CB ASN A 32 -1.471 -9.287 5.310 1.00 0.00 C ATOM 478 CG ASN A 32 -1.495 -10.088 6.602 1.00 0.00 C ATOM 479 OD1 ASN A 32 -2.396 -10.871 6.860 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.507 -9.933 7.457 1.00 0.00 N ATOM 0 H ASN A 32 -1.991 -7.055 7.305 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.167 -7.400 4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.925 -9.881 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.435 -9.109 5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.498 -10.465 8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.250 -9.281 7.249 1.00 0.00 H new ATOM 487 N LYS A 33 -4.340 -7.284 6.519 1.00 0.00 N ATOM 488 CA LYS A 33 -5.705 -7.487 7.068 1.00 0.00 C ATOM 489 C LYS A 33 -6.690 -6.343 6.756 1.00 0.00 C ATOM 490 O LYS A 33 -7.718 -6.202 7.422 1.00 0.00 O ATOM 491 CB LYS A 33 -5.605 -7.786 8.582 1.00 0.00 C ATOM 492 CG LYS A 33 -4.834 -9.068 8.949 1.00 0.00 C ATOM 493 CD LYS A 33 -5.478 -10.342 8.380 1.00 0.00 C ATOM 494 CE LYS A 33 -4.787 -11.589 8.945 1.00 0.00 C ATOM 495 NZ LYS A 33 -5.349 -12.835 8.360 1.00 0.00 N ATOM 0 H LYS A 33 -3.893 -6.440 6.877 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.138 -8.347 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.124 -6.939 9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.614 -7.859 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.812 -8.988 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.775 -9.151 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.539 -10.363 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.405 -10.339 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.718 -11.539 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.902 -11.610 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.860 -13.659 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.364 -12.894 8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.217 -12.825 7.328 1.00 0.00 H new ATOM 509 N LYS A 34 -6.391 -5.539 5.730 1.00 0.00 N ATOM 510 CA LYS A 34 -7.231 -4.449 5.187 1.00 0.00 C ATOM 511 C LYS A 34 -7.190 -4.450 3.653 1.00 0.00 C ATOM 512 O LYS A 34 -6.329 -5.090 3.053 1.00 0.00 O ATOM 513 CB LYS A 34 -6.746 -3.093 5.742 1.00 0.00 C ATOM 514 CG LYS A 34 -7.037 -2.880 7.234 1.00 0.00 C ATOM 515 CD LYS A 34 -6.599 -1.469 7.657 1.00 0.00 C ATOM 516 CE LYS A 34 -6.903 -1.164 9.130 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.039 -1.938 10.063 1.00 0.00 N ATOM 0 H LYS A 34 -5.510 -5.631 5.224 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.264 -4.609 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.672 -3.010 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.218 -2.291 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.101 -3.013 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.509 -3.627 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.529 -1.359 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.102 -0.734 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.766 -0.098 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.949 -1.391 9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.284 -1.696 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.188 -2.956 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.041 -1.704 9.887 1.00 0.00 H new ATOM 531 N GLU A 35 -8.094 -3.703 3.021 1.00 0.00 N ATOM 532 CA GLU A 35 -8.186 -3.524 1.559 1.00 0.00 C ATOM 533 C GLU A 35 -8.575 -2.073 1.210 1.00 0.00 C ATOM 534 O GLU A 35 -9.196 -1.387 2.027 1.00 0.00 O ATOM 535 CB GLU A 35 -9.226 -4.492 0.959 1.00 0.00 C ATOM 536 CG GLU A 35 -8.897 -5.974 1.193 1.00 0.00 C ATOM 537 CD GLU A 35 -9.848 -6.905 0.418 1.00 0.00 C ATOM 538 OE1 GLU A 35 -9.363 -7.658 -0.461 1.00 0.00 O ATOM 539 OE2 GLU A 35 -11.074 -6.906 0.691 1.00 0.00 O ATOM 0 H GLU A 35 -8.813 -3.183 3.525 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.206 -3.742 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.203 -4.274 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.302 -4.311 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.869 -6.170 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.961 -6.196 2.258 1.00 0.00 H new ATOM 546 N SER A 36 -8.228 -1.608 0.004 1.00 0.00 N ATOM 547 CA SER A 36 -8.490 -0.243 -0.497 1.00 0.00 C ATOM 548 C SER A 36 -9.977 0.160 -0.475 1.00 0.00 C ATOM 549 O SER A 36 -10.854 -0.670 -0.734 1.00 0.00 O ATOM 550 CB SER A 36 -7.984 -0.113 -1.940 1.00 0.00 C ATOM 551 OG SER A 36 -6.624 -0.504 -2.042 1.00 0.00 O ATOM 0 H SER A 36 -7.740 -2.188 -0.678 1.00 0.00 H new ATOM 0 HA SER A 36 -7.960 0.425 0.182 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.594 -0.731 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.095 0.918 -2.276 1.00 0.00 H new ATOM 0 HG SER A 36 -6.326 -0.414 -2.971 1.00 0.00 H new ATOM 557 N ARG A 37 -10.259 1.452 -0.227 1.00 0.00 N ATOM 558 CA ARG A 37 -11.614 2.043 -0.090 1.00 0.00 C ATOM 559 C ARG A 37 -11.728 3.418 -0.774 1.00 0.00 C ATOM 560 O ARG A 37 -10.732 3.985 -1.228 1.00 0.00 O ATOM 561 CB ARG A 37 -11.985 2.179 1.410 1.00 0.00 C ATOM 562 CG ARG A 37 -11.879 0.901 2.257 1.00 0.00 C ATOM 563 CD ARG A 37 -12.851 -0.207 1.830 1.00 0.00 C ATOM 564 NE ARG A 37 -12.485 -1.493 2.454 1.00 0.00 N ATOM 565 CZ ARG A 37 -13.192 -2.609 2.440 1.00 0.00 C ATOM 566 NH1 ARG A 37 -14.344 -2.696 1.837 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.750 -3.675 3.044 1.00 0.00 N ATOM 0 H ARG A 37 -9.521 2.147 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.309 1.368 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.341 2.938 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.008 2.550 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.859 0.520 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.065 1.152 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.867 0.065 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.841 -0.308 0.745 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.593 -1.524 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.729 -1.885 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.860 -3.576 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.854 -3.651 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.300 -4.534 3.030 1.00 0.00 H new ATOM 581 N GLY A 38 -12.945 3.966 -0.807 1.00 0.00 N ATOM 582 CA GLY A 38 -13.273 5.308 -1.312 1.00 0.00 C ATOM 583 C GLY A 38 -14.701 5.748 -0.944 1.00 0.00 C ATOM 584 O GLY A 38 -15.441 4.998 -0.299 1.00 0.00 O ATOM 0 H GLY A 38 -13.768 3.467 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.560 6.028 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.161 5.321 -2.396 1.00 0.00 H new ATOM 588 N ARG A 39 -15.090 6.966 -1.354 1.00 0.00 N ATOM 589 CA ARG A 39 -16.382 7.615 -1.011 1.00 0.00 C ATOM 590 C ARG A 39 -17.163 8.169 -2.222 1.00 0.00 C ATOM 591 O ARG A 39 -18.138 8.903 -2.043 1.00 0.00 O ATOM 592 CB ARG A 39 -16.140 8.704 0.060 1.00 0.00 C ATOM 593 CG ARG A 39 -15.788 8.129 1.441 1.00 0.00 C ATOM 594 CD ARG A 39 -15.730 9.253 2.484 1.00 0.00 C ATOM 595 NE ARG A 39 -15.569 8.723 3.853 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.658 9.412 4.979 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.862 10.700 4.990 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.545 8.814 6.131 1.00 0.00 N ATOM 0 H ARG A 39 -14.503 7.549 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.029 6.835 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.332 9.357 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.033 9.322 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.532 7.388 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.828 7.616 1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.900 9.921 2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.642 9.847 2.429 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.369 7.726 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.958 11.209 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.925 11.199 5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.387 7.807 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.615 9.353 6.994 1.00 0.00 H new ATOM 612 N GLY A 40 -16.766 7.823 -3.450 1.00 0.00 N ATOM 613 CA GLY A 40 -17.451 8.265 -4.678 1.00 0.00 C ATOM 614 C GLY A 40 -16.894 7.717 -6.002 1.00 0.00 C ATOM 615 O GLY A 40 -17.572 7.768 -7.028 1.00 0.00 O ATOM 0 H GLY A 40 -15.958 7.226 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.501 7.982 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.416 9.354 -4.716 1.00 0.00 H new HETATM 619 N NH2 A 41 -15.685 7.164 -6.024 1.00 0.00 N TER 622 NH2 A 41