USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=8 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 Set 1.1: A 32 ASN : amide:sc= 1.52 K(o=2.7,f=-3.8) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 178:sc= 1.16 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -178:sc= 0 (180deg=-0.00623) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 78:sc= 0.994 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 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 18.790 9.800 -5.781 1.00 0.00 N ATOM 2 CA VAL A 1 18.246 9.261 -4.500 1.00 0.00 C ATOM 3 C VAL A 1 19.173 9.571 -3.319 1.00 0.00 C ATOM 4 O VAL A 1 20.375 9.758 -3.501 1.00 0.00 O ATOM 5 CB VAL A 1 17.941 7.743 -4.548 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.755 7.435 -5.469 1.00 0.00 C ATOM 7 CG2 VAL A 1 19.134 6.872 -4.973 1.00 0.00 C ATOM 0 H1 VAL A 1 18.122 9.602 -6.553 1.00 0.00 H new ATOM 0 H2 VAL A 1 18.925 10.828 -5.696 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.703 9.347 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 1 17.295 9.774 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 1 17.698 7.484 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.570 6.361 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.868 7.953 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.982 7.772 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.835 5.824 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 1 19.460 7.163 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.954 7.010 -4.269 1.00 0.00 H new ATOM 19 N VAL A 2 18.617 9.583 -2.100 1.00 0.00 N ATOM 20 CA VAL A 2 19.339 9.729 -0.810 1.00 0.00 C ATOM 21 C VAL A 2 18.934 8.622 0.185 1.00 0.00 C ATOM 22 O VAL A 2 18.856 8.831 1.394 1.00 0.00 O ATOM 23 CB VAL A 2 19.184 11.153 -0.220 1.00 0.00 C ATOM 24 CG1 VAL A 2 19.879 12.198 -1.102 1.00 0.00 C ATOM 25 CG2 VAL A 2 17.722 11.578 -0.022 1.00 0.00 C ATOM 0 H VAL A 2 17.610 9.488 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 2 20.403 9.599 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 2 19.657 11.107 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.753 13.187 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 2 20.941 11.965 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 2 19.437 12.185 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.689 12.585 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.206 11.565 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.232 10.886 0.663 1.00 0.00 H new ATOM 35 N PHE A 3 18.623 7.436 -0.354 1.00 0.00 N ATOM 36 CA PHE A 3 18.101 6.244 0.336 1.00 0.00 C ATOM 37 C PHE A 3 16.990 6.521 1.374 1.00 0.00 C ATOM 38 O PHE A 3 16.981 5.975 2.479 1.00 0.00 O ATOM 39 CB PHE A 3 19.263 5.367 0.837 1.00 0.00 C ATOM 40 CG PHE A 3 18.874 3.914 1.061 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.870 3.361 2.356 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.499 3.114 -0.037 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.485 2.021 2.552 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.106 1.778 0.160 1.00 0.00 C ATOM 45 CZ PHE A 3 18.098 1.231 1.456 1.00 0.00 C ATOM 0 H PHE A 3 18.737 7.270 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 3 17.555 5.658 -0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.078 5.409 0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.644 5.781 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.163 3.966 3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.513 3.529 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.487 1.599 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.810 1.172 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.795 0.206 1.608 1.00 0.00 H new ATOM 55 N TYR A 4 16.025 7.364 0.984 1.00 0.00 N ATOM 56 CA TYR A 4 14.708 7.522 1.626 1.00 0.00 C ATOM 57 C TYR A 4 14.731 7.953 3.108 1.00 0.00 C ATOM 58 O TYR A 4 13.767 7.707 3.839 1.00 0.00 O ATOM 59 CB TYR A 4 13.874 6.246 1.383 1.00 0.00 C ATOM 60 CG TYR A 4 13.941 5.721 -0.042 1.00 0.00 C ATOM 61 CD1 TYR A 4 13.269 6.401 -1.076 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.729 4.589 -0.341 1.00 0.00 C ATOM 63 CE1 TYR A 4 13.386 5.955 -2.406 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.854 4.145 -1.672 1.00 0.00 C ATOM 65 CZ TYR A 4 14.181 4.828 -2.711 1.00 0.00 C ATOM 66 OH TYR A 4 14.296 4.410 -4.001 1.00 0.00 O ATOM 0 H TYR A 4 16.143 7.981 0.180 1.00 0.00 H new ATOM 0 HA TYR A 4 14.228 8.376 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.217 5.466 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.834 6.452 1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.663 7.266 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 4 15.237 4.062 0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.866 6.476 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.464 3.283 -1.899 1.00 0.00 H new ATOM 0 HH TYR A 4 14.879 3.623 -4.039 1.00 0.00 H new ATOM 76 N VAL A 5 15.811 8.599 3.565 1.00 0.00 N ATOM 77 CA VAL A 5 16.020 8.991 4.976 1.00 0.00 C ATOM 78 C VAL A 5 14.896 9.851 5.576 1.00 0.00 C ATOM 79 O VAL A 5 14.627 9.739 6.771 1.00 0.00 O ATOM 80 CB VAL A 5 17.385 9.679 5.188 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.532 8.682 4.992 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.612 10.892 4.274 1.00 0.00 C ATOM 0 H VAL A 5 16.583 8.872 2.957 1.00 0.00 H new ATOM 0 HA VAL A 5 16.005 8.046 5.520 1.00 0.00 H new ATOM 0 HB VAL A 5 17.371 10.045 6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.485 9.189 5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.433 7.868 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.495 8.279 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.591 11.324 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.566 10.576 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.840 11.638 4.461 1.00 0.00 H new ATOM 92 N ALA A 6 14.205 10.667 4.769 1.00 0.00 N ATOM 93 CA ALA A 6 13.037 11.436 5.208 1.00 0.00 C ATOM 94 C ALA A 6 11.774 10.560 5.329 1.00 0.00 C ATOM 95 O ALA A 6 11.143 10.522 6.387 1.00 0.00 O ATOM 96 CB ALA A 6 12.824 12.599 4.229 1.00 0.00 C ATOM 0 H ALA A 6 14.443 10.812 3.788 1.00 0.00 H new ATOM 0 HA ALA A 6 13.225 11.826 6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.958 13.183 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.708 13.236 4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.654 12.205 3.227 1.00 0.00 H new ATOM 102 N LEU A 7 11.428 9.807 4.277 1.00 0.00 N ATOM 103 CA LEU A 7 10.247 8.928 4.235 1.00 0.00 C ATOM 104 C LEU A 7 10.282 7.894 5.377 1.00 0.00 C ATOM 105 O LEU A 7 9.301 7.691 6.092 1.00 0.00 O ATOM 106 CB LEU A 7 10.193 8.270 2.838 1.00 0.00 C ATOM 107 CG LEU A 7 8.815 7.760 2.363 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.951 7.243 0.929 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.227 6.621 3.200 1.00 0.00 C ATOM 0 H LEU A 7 11.970 9.790 3.413 1.00 0.00 H new ATOM 0 HA LEU A 7 9.336 9.505 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.559 8.992 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.887 7.430 2.831 1.00 0.00 H new ATOM 0 HG LEU A 7 8.139 8.610 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.985 6.879 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.290 8.052 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.676 6.429 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.260 6.330 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.903 5.766 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.100 6.955 4.230 1.00 0.00 H new ATOM 121 N THR A 8 11.455 7.305 5.608 1.00 0.00 N ATOM 122 CA THR A 8 11.706 6.282 6.641 1.00 0.00 C ATOM 123 C THR A 8 11.737 6.854 8.077 1.00 0.00 C ATOM 124 O THR A 8 11.851 6.089 9.034 1.00 0.00 O ATOM 125 CB THR A 8 12.998 5.493 6.315 1.00 0.00 C ATOM 126 OG1 THR A 8 13.081 5.207 4.932 1.00 0.00 O ATOM 127 CG2 THR A 8 13.081 4.116 6.982 1.00 0.00 C ATOM 0 H THR A 8 12.290 7.530 5.066 1.00 0.00 H new ATOM 0 HA THR A 8 10.859 5.596 6.619 1.00 0.00 H new ATOM 0 HB THR A 8 13.792 6.144 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.379 6.006 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.016 3.631 6.701 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.044 4.234 8.065 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.242 3.502 6.655 1.00 0.00 H new ATOM 135 N ALA A 9 11.592 8.177 8.262 1.00 0.00 N ATOM 136 CA ALA A 9 11.651 8.841 9.572 1.00 0.00 C ATOM 137 C ALA A 9 10.474 9.808 9.819 1.00 0.00 C ATOM 138 O ALA A 9 9.584 9.491 10.611 1.00 0.00 O ATOM 139 CB ALA A 9 13.012 9.539 9.699 1.00 0.00 C ATOM 0 H ALA A 9 11.428 8.825 7.491 1.00 0.00 H new ATOM 0 HA ALA A 9 11.550 8.085 10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.076 10.039 10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.809 8.800 9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.119 10.275 8.902 1.00 0.00 H new ATOM 145 N VAL A 10 10.419 10.958 9.133 1.00 0.00 N ATOM 146 CA VAL A 10 9.358 11.976 9.321 1.00 0.00 C ATOM 147 C VAL A 10 8.012 11.595 8.685 1.00 0.00 C ATOM 148 O VAL A 10 6.992 12.202 9.017 1.00 0.00 O ATOM 149 CB VAL A 10 9.796 13.385 8.868 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.914 13.919 9.771 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.264 13.459 7.411 1.00 0.00 C ATOM 0 H VAL A 10 11.109 11.216 8.427 1.00 0.00 H new ATOM 0 HA VAL A 10 9.198 12.004 10.399 1.00 0.00 H new ATOM 0 HB VAL A 10 8.900 14.001 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.209 14.913 9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.556 13.974 10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.773 13.250 9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.554 14.483 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.119 12.798 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.453 13.149 6.752 1.00 0.00 H new HETATM 161 N NLE A 11 7.988 10.552 7.844 1.00 0.00 N HETATM 162 CA NLE A 11 6.769 9.902 7.328 1.00 0.00 C HETATM 163 C NLE A 11 6.665 8.427 7.775 1.00 0.00 C HETATM 164 O NLE A 11 5.918 7.653 7.181 1.00 0.00 O HETATM 165 CB NLE A 11 6.658 10.046 5.798 1.00 0.00 C HETATM 166 CG NLE A 11 6.764 11.500 5.303 1.00 0.00 C HETATM 167 CD NLE A 11 6.573 11.641 3.784 1.00 0.00 C HETATM 168 CE NLE A 11 5.144 11.344 3.311 1.00 0.00 C HETATM 0 HG3 NLE A 11 6.016 12.106 5.814 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.740 11.900 5.578 1.00 0.00 H new HETATM 0 HE3 NLE A 11 4.878 10.321 3.577 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.451 12.036 3.790 1.00 0.00 H new HETATM 0 HE1 NLE A 11 5.087 11.464 2.229 1.00 0.00 H new HETATM 0 HD3 NLE A 11 6.842 12.654 3.486 1.00 0.00 H new HETATM 0 HD2 NLE A 11 7.262 10.966 3.276 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.443 9.454 5.328 1.00 0.00 H new HETATM 0 HB2 NLE A 11 5.706 9.629 5.471 1.00 0.00 H new HETATM 0 HA NLE A 11 5.918 10.423 7.766 1.00 0.00 H new ATOM 180 N VAL A 12 7.401 8.048 8.831 1.00 0.00 N ATOM 181 CA VAL A 12 7.359 6.752 9.548 1.00 0.00 C ATOM 182 C VAL A 12 7.275 5.489 8.664 1.00 0.00 C ATOM 183 O VAL A 12 6.638 4.500 9.032 1.00 0.00 O ATOM 184 CB VAL A 12 6.306 6.769 10.685 1.00 0.00 C ATOM 185 CG1 VAL A 12 6.614 7.873 11.707 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.859 6.956 10.208 1.00 0.00 C ATOM 0 H VAL A 12 8.091 8.679 9.239 1.00 0.00 H new ATOM 0 HA VAL A 12 8.346 6.657 10.000 1.00 0.00 H new ATOM 0 HB VAL A 12 6.381 5.780 11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.859 7.862 12.493 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.597 7.699 12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.605 8.843 11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.189 6.956 11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.770 7.905 9.679 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.589 6.140 9.538 1.00 0.00 H new ATOM 196 N ALA A 13 7.924 5.509 7.493 1.00 0.00 N ATOM 197 CA ALA A 13 7.871 4.455 6.472 1.00 0.00 C ATOM 198 C ALA A 13 6.435 4.082 6.021 1.00 0.00 C ATOM 199 O ALA A 13 6.133 2.912 5.770 1.00 0.00 O ATOM 200 CB ALA A 13 8.728 3.259 6.923 1.00 0.00 C ATOM 0 H ALA A 13 8.523 6.289 7.221 1.00 0.00 H new ATOM 0 HA ALA A 13 8.309 4.849 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.689 2.477 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.760 3.582 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.343 2.870 7.866 1.00 0.00 H new ATOM 206 N VAL A 14 5.545 5.082 5.902 1.00 0.00 N ATOM 207 CA VAL A 14 4.127 4.969 5.486 1.00 0.00 C ATOM 208 C VAL A 14 3.878 4.060 4.271 1.00 0.00 C ATOM 209 O VAL A 14 2.850 3.385 4.214 1.00 0.00 O ATOM 210 CB VAL A 14 3.513 6.374 5.277 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.195 7.177 4.158 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.005 6.330 5.005 1.00 0.00 C ATOM 0 H VAL A 14 5.806 6.047 6.104 1.00 0.00 H new ATOM 0 HA VAL A 14 3.619 4.467 6.309 1.00 0.00 H new ATOM 0 HB VAL A 14 3.689 6.883 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.715 8.151 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.249 7.313 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.105 6.637 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.630 7.344 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.815 5.747 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.496 5.868 5.851 1.00 0.00 H new ATOM 222 N ALA A 15 4.831 3.975 3.336 1.00 0.00 N ATOM 223 CA ALA A 15 4.774 3.089 2.172 1.00 0.00 C ATOM 224 C ALA A 15 4.516 1.607 2.526 1.00 0.00 C ATOM 225 O ALA A 15 3.777 0.933 1.806 1.00 0.00 O ATOM 226 CB ALA A 15 6.077 3.256 1.380 1.00 0.00 C ATOM 0 H ALA A 15 5.683 4.535 3.370 1.00 0.00 H new ATOM 0 HA ALA A 15 3.915 3.381 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.058 2.604 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.177 4.292 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.924 2.990 2.012 1.00 0.00 H new ATOM 232 N LEU A 16 5.057 1.105 3.646 1.00 0.00 N ATOM 233 CA LEU A 16 4.805 -0.259 4.136 1.00 0.00 C ATOM 234 C LEU A 16 3.330 -0.470 4.512 1.00 0.00 C ATOM 235 O LEU A 16 2.721 -1.468 4.132 1.00 0.00 O ATOM 236 CB LEU A 16 5.718 -0.523 5.352 1.00 0.00 C ATOM 237 CG LEU A 16 5.539 -1.912 6.002 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.932 -3.049 5.057 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.399 -2.012 7.260 1.00 0.00 C ATOM 0 H LEU A 16 5.688 1.640 4.243 1.00 0.00 H new ATOM 0 HA LEU A 16 5.030 -0.966 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.757 -0.414 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.529 0.243 6.104 1.00 0.00 H new ATOM 0 HG LEU A 16 4.481 -2.015 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.789 -4.006 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.309 -3.011 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.979 -2.941 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.268 -2.995 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.447 -1.871 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.097 -1.242 7.970 1.00 0.00 H new ATOM 251 N TYR A 17 2.753 0.477 5.252 1.00 0.00 N ATOM 252 CA TYR A 17 1.374 0.409 5.742 1.00 0.00 C ATOM 253 C TYR A 17 0.348 0.633 4.621 1.00 0.00 C ATOM 254 O TYR A 17 -0.701 -0.013 4.612 1.00 0.00 O ATOM 255 CB TYR A 17 1.207 1.413 6.890 1.00 0.00 C ATOM 256 CG TYR A 17 2.158 1.143 8.046 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.856 0.133 8.981 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.370 1.852 8.151 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.764 -0.168 10.015 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.280 1.558 9.185 1.00 0.00 C ATOM 261 CZ TYR A 17 3.979 0.543 10.120 1.00 0.00 C ATOM 262 OH TYR A 17 4.853 0.243 11.120 1.00 0.00 O ATOM 0 H TYR A 17 3.239 1.329 5.533 1.00 0.00 H new ATOM 0 HA TYR A 17 1.179 -0.596 6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.376 2.422 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.180 1.377 7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.926 -0.411 8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.603 2.626 7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.530 -0.944 10.729 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.206 2.108 9.263 1.00 0.00 H new ATOM 0 HH TYR A 17 5.640 0.822 11.051 1.00 0.00 H new ATOM 272 N ALA A 18 0.676 1.476 3.633 1.00 0.00 N ATOM 273 CA ALA A 18 -0.081 1.600 2.388 1.00 0.00 C ATOM 274 C ALA A 18 -0.046 0.294 1.571 1.00 0.00 C ATOM 275 O ALA A 18 -1.096 -0.250 1.235 1.00 0.00 O ATOM 276 CB ALA A 18 0.476 2.789 1.593 1.00 0.00 C ATOM 0 H ALA A 18 1.484 2.096 3.680 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.131 1.783 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.079 2.895 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.373 3.700 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.529 2.617 1.371 1.00 0.00 H new ATOM 282 N TYR A 19 1.141 -0.271 1.313 1.00 0.00 N ATOM 283 CA TYR A 19 1.299 -1.561 0.623 1.00 0.00 C ATOM 284 C TYR A 19 0.561 -2.703 1.343 1.00 0.00 C ATOM 285 O TYR A 19 -0.075 -3.537 0.699 1.00 0.00 O ATOM 286 CB TYR A 19 2.796 -1.869 0.472 1.00 0.00 C ATOM 287 CG TYR A 19 3.106 -3.083 -0.385 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.255 -4.353 0.208 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.259 -2.936 -1.777 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.557 -5.473 -0.590 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.563 -4.053 -2.580 1.00 0.00 C ATOM 292 CZ TYR A 19 3.713 -5.326 -1.986 1.00 0.00 C ATOM 293 OH TYR A 19 4.011 -6.410 -2.750 1.00 0.00 O ATOM 0 H TYR A 19 2.028 0.157 1.579 1.00 0.00 H new ATOM 0 HA TYR A 19 0.843 -1.483 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.291 -0.999 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.225 -2.020 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.137 -4.467 1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.143 -1.963 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.669 -6.446 -0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.681 -3.936 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 19 4.083 -6.139 -3.689 1.00 0.00 H new ATOM 303 N GLY A 20 0.546 -2.685 2.679 1.00 0.00 N ATOM 304 CA GLY A 20 -0.176 -3.623 3.545 1.00 0.00 C ATOM 305 C GLY A 20 -1.710 -3.619 3.441 1.00 0.00 C ATOM 306 O GLY A 20 -2.354 -4.398 4.147 1.00 0.00 O ATOM 0 H GLY A 20 1.061 -1.984 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.177 -4.630 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.095 -3.409 4.579 1.00 0.00 H new ATOM 310 N LEU A 21 -2.299 -2.787 2.570 1.00 0.00 N ATOM 311 CA LEU A 21 -3.725 -2.842 2.203 1.00 0.00 C ATOM 312 C LEU A 21 -4.006 -2.577 0.712 1.00 0.00 C ATOM 313 O LEU A 21 -4.981 -3.104 0.174 1.00 0.00 O ATOM 314 CB LEU A 21 -4.532 -1.937 3.156 1.00 0.00 C ATOM 315 CG LEU A 21 -4.332 -0.413 3.027 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.298 0.219 2.020 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.589 0.253 4.382 1.00 0.00 C ATOM 0 H LEU A 21 -1.791 -2.043 2.091 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.063 -3.870 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.590 -2.151 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.288 -2.223 4.179 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.309 -0.258 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.117 1.292 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.141 -0.225 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.325 0.040 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.448 1.330 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.611 0.047 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.892 -0.143 5.120 1.00 0.00 H new HETATM 329 N ABA A 22 -3.139 -1.833 0.017 1.00 0.00 N HETATM 330 CA ABA A 22 -3.199 -1.644 -1.440 1.00 0.00 C HETATM 331 C ABA A 22 -2.677 -2.865 -2.224 1.00 0.00 C HETATM 332 O ABA A 22 -2.983 -3.000 -3.410 1.00 0.00 O HETATM 333 CB ABA A 22 -2.409 -0.385 -1.837 1.00 0.00 C HETATM 334 CG ABA A 22 -3.044 0.901 -1.294 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.081 0.857 -0.206 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.056 1.002 -1.687 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.448 1.760 -1.603 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.348 -0.326 -2.924 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.388 -0.468 -1.464 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.250 -1.524 -1.704 1.00 0.00 H new ATOM 342 N PHE A 23 -1.919 -3.761 -1.577 1.00 0.00 N ATOM 343 CA PHE A 23 -1.323 -4.957 -2.192 1.00 0.00 C ATOM 344 C PHE A 23 -1.434 -6.209 -1.307 1.00 0.00 C ATOM 345 O PHE A 23 -1.831 -7.261 -1.812 1.00 0.00 O ATOM 346 CB PHE A 23 0.147 -4.670 -2.548 1.00 0.00 C ATOM 347 CG PHE A 23 0.428 -4.685 -4.037 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.876 -5.867 -4.661 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.233 -3.522 -4.805 1.00 0.00 C ATOM 350 CE1 PHE A 23 1.131 -5.883 -6.044 1.00 0.00 C ATOM 351 CE2 PHE A 23 0.488 -3.539 -6.189 1.00 0.00 C ATOM 352 CZ PHE A 23 0.938 -4.719 -6.808 1.00 0.00 C ATOM 0 H PHE A 23 -1.697 -3.672 -0.585 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.890 -5.177 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.426 -3.697 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.781 -5.411 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.024 -6.762 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.113 -2.615 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.475 -6.790 -6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.338 -2.645 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.135 -4.731 -7.870 1.00 0.00 H new ATOM 362 N ARG A 24 -1.147 -6.099 0.003 1.00 0.00 N ATOM 363 CA ARG A 24 -1.226 -7.164 1.036 1.00 0.00 C ATOM 364 C ARG A 24 -0.723 -8.555 0.592 1.00 0.00 C ATOM 365 O ARG A 24 -1.295 -9.585 0.946 1.00 0.00 O ATOM 366 CB ARG A 24 -2.609 -7.140 1.738 1.00 0.00 C ATOM 367 CG ARG A 24 -3.880 -7.127 0.868 1.00 0.00 C ATOM 368 CD ARG A 24 -4.182 -8.440 0.139 1.00 0.00 C ATOM 369 NE ARG A 24 -5.409 -8.313 -0.671 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.505 -8.009 -1.952 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.471 -7.791 -2.714 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.684 -7.911 -2.487 1.00 0.00 N ATOM 0 H ARG A 24 -0.834 -5.213 0.399 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.487 -6.921 1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.664 -8.012 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.639 -6.259 2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.732 -6.876 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.787 -6.332 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.342 -8.708 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.300 -9.246 0.863 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.289 -8.480 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.530 -7.852 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.603 -7.559 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.516 -8.068 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.778 -7.677 -3.475 1.00 0.00 H new ATOM 386 N LEU A 25 0.349 -8.567 -0.208 1.00 0.00 N ATOM 387 CA LEU A 25 0.878 -9.744 -0.914 1.00 0.00 C ATOM 388 C LEU A 25 1.409 -10.859 0.014 1.00 0.00 C ATOM 389 O LEU A 25 1.307 -12.042 -0.314 1.00 0.00 O ATOM 390 CB LEU A 25 1.987 -9.244 -1.864 1.00 0.00 C ATOM 391 CG LEU A 25 2.600 -10.310 -2.794 1.00 0.00 C ATOM 392 CD1 LEU A 25 1.568 -10.893 -3.763 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.727 -9.693 -3.621 1.00 0.00 C ATOM 0 H LEU A 25 0.895 -7.725 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 25 0.058 -10.214 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.579 -8.442 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.786 -8.809 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 25 2.974 -11.110 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.046 -11.639 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.761 -11.360 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.161 -10.095 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.155 -10.452 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.331 -8.876 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.500 -9.311 -2.954 1.00 0.00 H new HETATM 405 N NLE A 26 1.983 -10.477 1.158 1.00 0.00 N HETATM 406 CA NLE A 26 2.663 -11.352 2.124 1.00 0.00 C HETATM 407 C NLE A 26 2.663 -10.732 3.533 1.00 0.00 C HETATM 408 O NLE A 26 2.524 -9.516 3.683 1.00 0.00 O HETATM 409 CB NLE A 26 4.099 -11.666 1.647 1.00 0.00 C HETATM 410 CG NLE A 26 4.885 -10.456 1.107 1.00 0.00 C HETATM 411 CD NLE A 26 6.335 -10.837 0.778 1.00 0.00 C HETATM 412 CE NLE A 26 7.032 -9.722 -0.010 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.396 -10.071 0.212 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.876 -9.654 1.845 1.00 0.00 H new HETATM 0 HE3 NLE A 26 6.497 -9.547 -0.943 1.00 0.00 H new HETATM 0 HE2 NLE A 26 7.038 -8.807 0.582 1.00 0.00 H new HETATM 0 HE1 NLE A 26 8.058 -10.018 -0.230 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.882 -11.031 1.701 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.349 -11.760 0.199 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.655 -12.100 2.478 1.00 0.00 H new HETATM 0 HB2 NLE A 26 4.049 -12.425 0.866 1.00 0.00 H new HETATM 0 HA NLE A 26 2.112 -12.291 2.184 1.00 0.00 H new HETATM 0 H NLE A 26 1.589 -9.588 1.465 1.00 0.00 H new ATOM 424 N GLY A 27 2.809 -11.577 4.560 1.00 0.00 N ATOM 425 CA GLY A 27 2.544 -11.213 5.961 1.00 0.00 C ATOM 426 C GLY A 27 3.505 -11.777 7.013 1.00 0.00 C ATOM 427 O GLY A 27 3.259 -11.609 8.209 1.00 0.00 O ATOM 0 H GLY A 27 3.117 -12.542 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.556 -10.126 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.535 -11.540 6.212 1.00 0.00 H new ATOM 431 N ALA A 28 4.600 -12.428 6.605 1.00 0.00 N ATOM 432 CA ALA A 28 5.599 -12.991 7.523 1.00 0.00 C ATOM 433 C ALA A 28 6.345 -11.931 8.371 1.00 0.00 C ATOM 434 O ALA A 28 6.837 -12.249 9.457 1.00 0.00 O ATOM 435 CB ALA A 28 6.581 -13.834 6.698 1.00 0.00 C ATOM 0 H ALA A 28 4.820 -12.581 5.621 1.00 0.00 H new ATOM 0 HA ALA A 28 5.075 -13.607 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.335 -14.264 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.039 -14.635 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.067 -13.202 5.955 1.00 0.00 H new ATOM 441 N SER A 29 6.419 -10.681 7.888 1.00 0.00 N ATOM 442 CA SER A 29 7.185 -9.573 8.499 1.00 0.00 C ATOM 443 C SER A 29 6.484 -8.199 8.414 1.00 0.00 C ATOM 444 O SER A 29 7.137 -7.167 8.593 1.00 0.00 O ATOM 445 CB SER A 29 8.582 -9.482 7.851 1.00 0.00 C ATOM 446 OG SER A 29 9.331 -10.680 8.005 1.00 0.00 O ATOM 0 H SER A 29 5.934 -10.400 7.036 1.00 0.00 H new ATOM 0 HA SER A 29 7.264 -9.811 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.473 -9.259 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.132 -8.653 8.296 1.00 0.00 H new ATOM 0 HG SER A 29 10.207 -10.575 7.578 1.00 0.00 H new ATOM 452 N GLY A 30 5.174 -8.140 8.127 1.00 0.00 N ATOM 453 CA GLY A 30 4.456 -6.867 7.947 1.00 0.00 C ATOM 454 C GLY A 30 2.924 -6.960 7.818 1.00 0.00 C ATOM 455 O GLY A 30 2.366 -8.063 7.797 1.00 0.00 O ATOM 0 H GLY A 30 4.586 -8.966 8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.689 -6.220 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.845 -6.378 7.054 1.00 0.00 H new ATOM 459 N PRO A 31 2.230 -5.806 7.742 1.00 0.00 N ATOM 460 CA PRO A 31 0.766 -5.722 7.712 1.00 0.00 C ATOM 461 C PRO A 31 0.167 -6.339 6.437 1.00 0.00 C ATOM 462 O PRO A 31 0.691 -6.155 5.337 1.00 0.00 O ATOM 463 CB PRO A 31 0.438 -4.229 7.841 1.00 0.00 C ATOM 464 CG PRO A 31 1.687 -3.526 7.309 1.00 0.00 C ATOM 465 CD PRO A 31 2.816 -4.470 7.713 1.00 0.00 C ATOM 0 HA PRO A 31 0.323 -6.299 8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.446 -3.964 7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.236 -3.953 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.643 -3.390 6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.811 -2.537 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.640 -4.420 7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.221 -4.200 8.688 1.00 0.00 H new ATOM 473 N ASN A 32 -0.929 -7.090 6.595 1.00 0.00 N ATOM 474 CA ASN A 32 -1.506 -7.936 5.534 1.00 0.00 C ATOM 475 C ASN A 32 -3.015 -8.257 5.711 1.00 0.00 C ATOM 476 O ASN A 32 -3.525 -9.192 5.089 1.00 0.00 O ATOM 477 CB ASN A 32 -0.647 -9.218 5.441 1.00 0.00 C ATOM 478 CG ASN A 32 -0.730 -10.095 6.682 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.528 -11.017 6.769 1.00 0.00 O ATOM 480 ND2 ASN A 32 0.079 -9.855 7.687 1.00 0.00 N ATOM 0 H ASN A 32 -1.449 -7.131 7.472 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.476 -7.377 4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.965 -9.797 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.393 -8.938 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.036 -10.434 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.750 -9.089 7.630 1.00 0.00 H new ATOM 487 N LYS A 33 -3.734 -7.517 6.572 1.00 0.00 N ATOM 488 CA LYS A 33 -5.093 -7.855 7.068 1.00 0.00 C ATOM 489 C LYS A 33 -6.126 -6.726 6.883 1.00 0.00 C ATOM 490 O LYS A 33 -7.137 -6.669 7.588 1.00 0.00 O ATOM 491 CB LYS A 33 -4.988 -8.355 8.528 1.00 0.00 C ATOM 492 CG LYS A 33 -4.376 -9.761 8.662 1.00 0.00 C ATOM 493 CD LYS A 33 -5.335 -10.868 8.186 1.00 0.00 C ATOM 494 CE LYS A 33 -4.742 -12.273 8.363 1.00 0.00 C ATOM 495 NZ LYS A 33 -3.780 -12.616 7.283 1.00 0.00 N ATOM 0 H LYS A 33 -3.382 -6.641 6.957 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.488 -8.660 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.385 -7.651 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.983 -8.358 8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.454 -9.809 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.108 -9.940 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.270 -10.799 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.577 -10.708 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.239 -12.334 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.548 -13.007 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.380 -13.559 7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.272 -12.617 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.014 -11.913 7.264 1.00 0.00 H new ATOM 509 N LYS A 34 -5.890 -5.847 5.906 1.00 0.00 N ATOM 510 CA LYS A 34 -6.809 -4.794 5.429 1.00 0.00 C ATOM 511 C LYS A 34 -6.799 -4.754 3.894 1.00 0.00 C ATOM 512 O LYS A 34 -5.901 -5.309 3.264 1.00 0.00 O ATOM 513 CB LYS A 34 -6.398 -3.428 6.016 1.00 0.00 C ATOM 514 CG LYS A 34 -6.526 -3.336 7.544 1.00 0.00 C ATOM 515 CD LYS A 34 -6.162 -1.924 8.029 1.00 0.00 C ATOM 516 CE LYS A 34 -6.045 -1.829 9.558 1.00 0.00 C ATOM 517 NZ LYS A 34 -7.348 -2.022 10.248 1.00 0.00 N ATOM 0 H LYS A 34 -5.007 -5.845 5.395 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.822 -5.019 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.365 -3.220 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.013 -2.650 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.545 -3.579 7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.871 -4.069 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.217 -1.623 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.919 -1.220 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.337 -2.579 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.637 -0.855 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.211 -1.948 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.018 -1.291 9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.728 -2.962 10.016 1.00 0.00 H new ATOM 531 N GLU A 35 -7.775 -4.077 3.295 1.00 0.00 N ATOM 532 CA GLU A 35 -7.887 -3.859 1.841 1.00 0.00 C ATOM 533 C GLU A 35 -8.402 -2.437 1.542 1.00 0.00 C ATOM 534 O GLU A 35 -8.950 -1.775 2.426 1.00 0.00 O ATOM 535 CB GLU A 35 -8.809 -4.912 1.194 1.00 0.00 C ATOM 536 CG GLU A 35 -8.285 -6.350 1.337 1.00 0.00 C ATOM 537 CD GLU A 35 -9.093 -7.350 0.492 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.496 -7.987 -0.411 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.312 -7.523 0.733 1.00 0.00 O ATOM 0 H GLU A 35 -8.538 -3.648 3.818 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.892 -3.965 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.798 -4.846 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.928 -4.680 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.238 -6.385 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.325 -6.647 2.385 1.00 0.00 H new ATOM 546 N SER A 36 -8.229 -1.959 0.304 1.00 0.00 N ATOM 547 CA SER A 36 -8.659 -0.621 -0.147 1.00 0.00 C ATOM 548 C SER A 36 -10.173 -0.381 0.001 1.00 0.00 C ATOM 549 O SER A 36 -10.976 -1.290 -0.224 1.00 0.00 O ATOM 550 CB SER A 36 -8.268 -0.407 -1.616 1.00 0.00 C ATOM 551 OG SER A 36 -6.870 -0.582 -1.795 1.00 0.00 O ATOM 0 H SER A 36 -7.776 -2.501 -0.432 1.00 0.00 H new ATOM 0 HA SER A 36 -8.149 0.092 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.811 -1.110 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.557 0.595 -1.932 1.00 0.00 H new ATOM 0 HG SER A 36 -6.641 -0.443 -2.738 1.00 0.00 H new ATOM 557 N ARG A 37 -10.565 0.862 0.328 1.00 0.00 N ATOM 558 CA ARG A 37 -11.956 1.307 0.592 1.00 0.00 C ATOM 559 C ARG A 37 -12.252 2.681 -0.039 1.00 0.00 C ATOM 560 O ARG A 37 -11.357 3.340 -0.573 1.00 0.00 O ATOM 561 CB ARG A 37 -12.217 1.367 2.120 1.00 0.00 C ATOM 562 CG ARG A 37 -11.926 0.086 2.917 1.00 0.00 C ATOM 563 CD ARG A 37 -12.811 -1.106 2.525 1.00 0.00 C ATOM 564 NE ARG A 37 -12.315 -2.355 3.135 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.653 -3.587 2.801 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.531 -3.840 1.871 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.111 -4.605 3.407 1.00 0.00 N ATOM 0 H ARG A 37 -9.894 1.624 0.421 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.623 0.578 0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.613 2.173 2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.261 1.637 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.881 -0.188 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.061 0.292 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.837 -0.923 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.829 -1.209 1.440 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.641 -2.256 3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.983 -3.073 1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.766 -4.805 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.422 -4.452 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.376 -5.555 3.145 1.00 0.00 H new ATOM 581 N GLY A 38 -13.506 3.125 0.062 1.00 0.00 N ATOM 582 CA GLY A 38 -13.988 4.449 -0.361 1.00 0.00 C ATOM 583 C GLY A 38 -15.365 4.787 0.231 1.00 0.00 C ATOM 584 O GLY A 38 -15.967 3.958 0.922 1.00 0.00 O ATOM 0 H GLY A 38 -14.249 2.549 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.268 5.209 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.045 4.481 -1.449 1.00 0.00 H new ATOM 588 N ARG A 39 -15.867 6.005 -0.031 1.00 0.00 N ATOM 589 CA ARG A 39 -17.101 6.563 0.580 1.00 0.00 C ATOM 590 C ARG A 39 -18.094 7.146 -0.445 1.00 0.00 C ATOM 591 O ARG A 39 -18.956 7.955 -0.093 1.00 0.00 O ATOM 592 CB ARG A 39 -16.744 7.588 1.684 1.00 0.00 C ATOM 593 CG ARG A 39 -15.649 7.118 2.659 1.00 0.00 C ATOM 594 CD ARG A 39 -15.568 7.996 3.916 1.00 0.00 C ATOM 595 NE ARG A 39 -16.530 7.563 4.950 1.00 0.00 N ATOM 596 CZ ARG A 39 -16.675 8.078 6.159 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.031 9.147 6.541 1.00 0.00 N ATOM 598 NH2 ARG A 39 -17.476 7.519 7.022 1.00 0.00 N ATOM 0 H ARG A 39 -15.423 6.648 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.627 5.725 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.419 8.515 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.645 7.820 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -15.845 6.087 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.685 7.127 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.557 7.958 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.765 9.034 3.648 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.146 6.787 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.391 9.613 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.168 9.516 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.995 6.679 6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.583 7.921 7.953 1.00 0.00 H new ATOM 612 N GLY A 40 -17.974 6.749 -1.715 1.00 0.00 N ATOM 613 CA GLY A 40 -18.847 7.198 -2.813 1.00 0.00 C ATOM 614 C GLY A 40 -18.589 6.534 -4.176 1.00 0.00 C ATOM 615 O GLY A 40 -19.491 6.454 -5.011 1.00 0.00 O ATOM 0 H GLY A 40 -17.254 6.093 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.883 7.014 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.734 8.276 -2.926 1.00 0.00 H new HETATM 619 N NH2 A 41 -17.392 6.012 -4.428 1.00 0.00 N TER 622 NH2 A 41