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+ -178:sc= 0 (180deg=-0.00295) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.865 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= 0.863 K(o=0.86,f=-1.2) 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 54:sc= 0.0405 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 18.071 8.737 -7.539 1.00 0.00 N ATOM 2 CA VAL A 1 17.634 8.107 -6.258 1.00 0.00 C ATOM 3 C VAL A 1 18.603 8.428 -5.116 1.00 0.00 C ATOM 4 O VAL A 1 19.786 8.674 -5.353 1.00 0.00 O ATOM 5 CB VAL A 1 17.422 6.577 -6.366 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.185 6.244 -7.210 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.625 5.806 -6.930 1.00 0.00 C ATOM 0 H1 VAL A 1 17.375 8.528 -8.284 1.00 0.00 H new ATOM 0 H2 VAL A 1 18.144 9.767 -7.412 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.998 8.356 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 1 16.662 8.547 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 1 17.284 6.250 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.064 5.162 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.301 6.685 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.310 6.648 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.389 4.743 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.850 6.166 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.491 5.961 -6.286 1.00 0.00 H new ATOM 19 N VAL A 2 18.107 8.403 -3.871 1.00 0.00 N ATOM 20 CA VAL A 2 18.874 8.650 -2.621 1.00 0.00 C ATOM 21 C VAL A 2 18.627 7.550 -1.569 1.00 0.00 C ATOM 22 O VAL A 2 18.668 7.787 -0.362 1.00 0.00 O ATOM 23 CB VAL A 2 18.612 10.070 -2.061 1.00 0.00 C ATOM 24 CG1 VAL A 2 19.094 11.153 -3.033 1.00 0.00 C ATOM 25 CG2 VAL A 2 17.133 10.334 -1.736 1.00 0.00 C ATOM 0 H VAL A 2 17.123 8.203 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 2 19.933 8.603 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 2 19.179 10.116 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.895 12.137 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 2 20.165 11.040 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.565 11.053 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.021 11.346 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.536 10.224 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.792 9.619 -0.987 1.00 0.00 H new ATOM 35 N PHE A 3 18.311 6.336 -2.039 1.00 0.00 N ATOM 36 CA PHE A 3 17.901 5.162 -1.249 1.00 0.00 C ATOM 37 C PHE A 3 16.770 5.430 -0.226 1.00 0.00 C ATOM 38 O PHE A 3 16.690 4.796 0.828 1.00 0.00 O ATOM 39 CB PHE A 3 19.147 4.460 -0.675 1.00 0.00 C ATOM 40 CG PHE A 3 19.018 2.947 -0.612 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.771 2.291 0.609 1.00 0.00 C ATOM 42 CD2 PHE A 3 19.139 2.191 -1.796 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.644 0.890 0.645 1.00 0.00 C ATOM 44 CE2 PHE A 3 19.011 0.790 -1.759 1.00 0.00 C ATOM 45 CZ PHE A 3 18.763 0.140 -0.538 1.00 0.00 C ATOM 0 H PHE A 3 18.335 6.133 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 3 17.415 4.460 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.012 4.717 -1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.339 4.842 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.679 2.864 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.331 2.689 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.455 0.390 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.103 0.215 -2.668 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.664 -0.935 -0.509 1.00 0.00 H new ATOM 55 N TYR A 4 15.877 6.374 -0.559 1.00 0.00 N ATOM 56 CA TYR A 4 14.631 6.706 0.153 1.00 0.00 C ATOM 57 C TYR A 4 14.785 7.056 1.649 1.00 0.00 C ATOM 58 O TYR A 4 13.844 6.890 2.430 1.00 0.00 O ATOM 59 CB TYR A 4 13.585 5.608 -0.117 1.00 0.00 C ATOM 60 CG TYR A 4 13.416 5.267 -1.589 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.702 6.139 -2.434 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.010 4.103 -2.119 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.581 5.849 -3.807 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.892 3.811 -3.491 1.00 0.00 C ATOM 65 CZ TYR A 4 13.177 4.685 -4.340 1.00 0.00 C ATOM 66 OH TYR A 4 13.056 4.414 -5.670 1.00 0.00 O ATOM 0 H TYR A 4 16.012 6.962 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 4 14.277 7.651 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.871 4.706 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.624 5.929 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.247 7.031 -2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.557 3.434 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.032 6.518 -4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.348 2.919 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 4 13.523 3.578 -5.877 1.00 0.00 H new ATOM 76 N VAL A 5 15.953 7.565 2.067 1.00 0.00 N ATOM 77 CA VAL A 5 16.239 7.920 3.474 1.00 0.00 C ATOM 78 C VAL A 5 15.245 8.924 4.075 1.00 0.00 C ATOM 79 O VAL A 5 14.876 8.792 5.242 1.00 0.00 O ATOM 80 CB VAL A 5 17.689 8.416 3.666 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.692 7.303 3.345 1.00 0.00 C ATOM 82 CG2 VAL A 5 18.043 9.653 2.825 1.00 0.00 C ATOM 0 H VAL A 5 16.735 7.745 1.437 1.00 0.00 H new ATOM 0 HA VAL A 5 16.115 6.988 4.026 1.00 0.00 H new ATOM 0 HB VAL A 5 17.753 8.705 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.707 7.675 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.520 6.456 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.564 6.985 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.077 9.939 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.920 9.421 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.383 10.477 3.095 1.00 0.00 H new ATOM 92 N ALA A 6 14.756 9.886 3.282 1.00 0.00 N ATOM 93 CA ALA A 6 13.733 10.844 3.710 1.00 0.00 C ATOM 94 C ALA A 6 12.373 10.163 3.951 1.00 0.00 C ATOM 95 O ALA A 6 11.785 10.317 5.021 1.00 0.00 O ATOM 96 CB ALA A 6 13.633 11.956 2.659 1.00 0.00 C ATOM 0 H ALA A 6 15.063 10.021 2.319 1.00 0.00 H new ATOM 0 HA ALA A 6 14.025 11.276 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.875 12.678 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.596 12.458 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.357 11.524 1.697 1.00 0.00 H new ATOM 102 N LEU A 7 11.904 9.345 3.000 1.00 0.00 N ATOM 103 CA LEU A 7 10.666 8.559 3.124 1.00 0.00 C ATOM 104 C LEU A 7 10.720 7.655 4.371 1.00 0.00 C ATOM 105 O LEU A 7 9.779 7.596 5.160 1.00 0.00 O ATOM 106 CB LEU A 7 10.469 7.762 1.816 1.00 0.00 C ATOM 107 CG LEU A 7 9.024 7.344 1.470 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.028 6.662 0.100 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.388 6.369 2.464 1.00 0.00 C ATOM 0 H LEU A 7 12.380 9.207 2.108 1.00 0.00 H new ATOM 0 HA LEU A 7 9.805 9.213 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.857 8.360 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.080 6.861 1.871 1.00 0.00 H new ATOM 0 HG LEU A 7 8.434 8.260 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.013 6.360 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.403 7.357 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.671 5.782 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.374 6.131 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.980 5.455 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.356 6.827 3.453 1.00 0.00 H new ATOM 121 N THR A 8 11.869 7.016 4.598 1.00 0.00 N ATOM 122 CA THR A 8 12.130 6.128 5.744 1.00 0.00 C ATOM 123 C THR A 8 12.068 6.844 7.108 1.00 0.00 C ATOM 124 O THR A 8 11.773 6.196 8.113 1.00 0.00 O ATOM 125 CB THR A 8 13.486 5.412 5.564 1.00 0.00 C ATOM 126 OG1 THR A 8 13.535 4.761 4.309 1.00 0.00 O ATOM 127 CG2 THR A 8 13.747 4.312 6.595 1.00 0.00 C ATOM 0 H THR A 8 12.671 7.101 3.974 1.00 0.00 H new ATOM 0 HA THR A 8 11.325 5.393 5.756 1.00 0.00 H new ATOM 0 HB THR A 8 14.229 6.202 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.672 5.425 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.718 3.856 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.740 4.743 7.596 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.969 3.552 6.521 1.00 0.00 H new ATOM 135 N ALA A 9 12.282 8.167 7.165 1.00 0.00 N ATOM 136 CA ALA A 9 12.455 8.914 8.419 1.00 0.00 C ATOM 137 C ALA A 9 11.425 10.043 8.620 1.00 0.00 C ATOM 138 O ALA A 9 10.620 9.967 9.551 1.00 0.00 O ATOM 139 CB ALA A 9 13.898 9.436 8.468 1.00 0.00 C ATOM 0 H ALA A 9 12.340 8.754 6.333 1.00 0.00 H new ATOM 0 HA ALA A 9 12.270 8.235 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.052 9.995 9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.591 8.595 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.078 10.089 7.614 1.00 0.00 H new ATOM 145 N VAL A 10 11.389 11.061 7.752 1.00 0.00 N ATOM 146 CA VAL A 10 10.438 12.193 7.857 1.00 0.00 C ATOM 147 C VAL A 10 9.031 11.866 7.328 1.00 0.00 C ATOM 148 O VAL A 10 8.099 12.644 7.546 1.00 0.00 O ATOM 149 CB VAL A 10 10.983 13.496 7.232 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.231 13.974 7.987 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.329 13.391 5.744 1.00 0.00 C ATOM 0 H VAL A 10 12.017 11.130 6.952 1.00 0.00 H new ATOM 0 HA VAL A 10 10.334 12.366 8.928 1.00 0.00 H new ATOM 0 HB VAL A 10 10.166 14.212 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.601 14.893 7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.976 14.162 9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.004 13.207 7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.704 14.351 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.094 12.628 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.436 13.120 5.181 1.00 0.00 H new HETATM 161 N NLE A 11 8.855 10.687 6.716 1.00 0.00 N HETATM 162 CA NLE A 11 7.556 10.068 6.398 1.00 0.00 C HETATM 163 C NLE A 11 7.413 8.663 7.030 1.00 0.00 C HETATM 164 O NLE A 11 6.552 7.887 6.620 1.00 0.00 O HETATM 165 CB NLE A 11 7.316 10.029 4.875 1.00 0.00 C HETATM 166 CG NLE A 11 7.407 11.398 4.180 1.00 0.00 C HETATM 167 CD NLE A 11 7.259 11.311 2.652 1.00 0.00 C HETATM 168 CE NLE A 11 5.904 10.765 2.183 1.00 0.00 C HETATM 0 HG3 NLE A 11 6.631 12.053 4.577 1.00 0.00 H new HETATM 0 HG2 NLE A 11 8.366 11.858 4.420 1.00 0.00 H new HETATM 0 HE3 NLE A 11 5.762 9.758 2.576 1.00 0.00 H new HETATM 0 HE2 NLE A 11 5.106 11.413 2.546 1.00 0.00 H new HETATM 0 HE1 NLE A 11 5.881 10.736 1.094 1.00 0.00 H new HETATM 0 HD3 NLE A 11 7.405 12.304 2.227 1.00 0.00 H new HETATM 0 HD2 NLE A 11 8.051 10.675 2.257 1.00 0.00 H new HETATM 0 HB3 NLE A 11 8.045 9.357 4.422 1.00 0.00 H new HETATM 0 HB2 NLE A 11 6.330 9.604 4.686 1.00 0.00 H new HETATM 0 HA NLE A 11 6.782 10.695 6.842 1.00 0.00 H new ATOM 180 N VAL A 12 8.250 8.341 8.029 1.00 0.00 N ATOM 181 CA VAL A 12 8.252 7.107 8.852 1.00 0.00 C ATOM 182 C VAL A 12 7.973 5.789 8.096 1.00 0.00 C ATOM 183 O VAL A 12 7.294 4.892 8.604 1.00 0.00 O ATOM 184 CB VAL A 12 7.387 7.270 10.127 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.947 8.377 11.030 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.908 7.578 9.852 1.00 0.00 C ATOM 0 H VAL A 12 8.998 8.976 8.308 1.00 0.00 H new ATOM 0 HA VAL A 12 9.290 6.989 9.162 1.00 0.00 H new ATOM 0 HB VAL A 12 7.434 6.298 10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.323 8.472 11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.965 8.124 11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.952 9.322 10.487 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.375 7.677 10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.828 8.510 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.469 6.767 9.271 1.00 0.00 H new ATOM 196 N ALA A 13 8.499 5.664 6.872 1.00 0.00 N ATOM 197 CA ALA A 13 8.292 4.536 5.955 1.00 0.00 C ATOM 198 C ALA A 13 6.805 4.198 5.682 1.00 0.00 C ATOM 199 O ALA A 13 6.449 3.029 5.514 1.00 0.00 O ATOM 200 CB ALA A 13 9.132 3.335 6.427 1.00 0.00 C ATOM 0 H ALA A 13 9.109 6.379 6.475 1.00 0.00 H new ATOM 0 HA ALA A 13 8.649 4.836 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.980 2.496 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.187 3.609 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.824 3.048 7.433 1.00 0.00 H new ATOM 206 N VAL A 14 5.928 5.214 5.630 1.00 0.00 N ATOM 207 CA VAL A 14 4.461 5.088 5.460 1.00 0.00 C ATOM 208 C VAL A 14 4.015 4.153 4.320 1.00 0.00 C ATOM 209 O VAL A 14 2.991 3.475 4.436 1.00 0.00 O ATOM 210 CB VAL A 14 3.805 6.483 5.353 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.230 7.263 4.101 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.274 6.415 5.401 1.00 0.00 C ATOM 0 H VAL A 14 6.228 6.186 5.708 1.00 0.00 H new ATOM 0 HA VAL A 14 4.103 4.593 6.363 1.00 0.00 H new ATOM 0 HB VAL A 14 4.169 7.021 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.732 8.233 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.310 7.410 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.950 6.701 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.862 7.421 5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.911 5.808 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.959 5.967 6.343 1.00 0.00 H new ATOM 222 N ALA A 15 4.814 4.047 3.252 1.00 0.00 N ATOM 223 CA ALA A 15 4.595 3.134 2.128 1.00 0.00 C ATOM 224 C ALA A 15 4.442 1.649 2.531 1.00 0.00 C ATOM 225 O ALA A 15 3.735 0.907 1.847 1.00 0.00 O ATOM 226 CB ALA A 15 5.744 3.326 1.130 1.00 0.00 C ATOM 0 H ALA A 15 5.656 4.612 3.144 1.00 0.00 H new ATOM 0 HA ALA A 15 3.636 3.388 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.605 2.656 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.753 4.358 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.692 3.100 1.619 1.00 0.00 H new ATOM 232 N LEU A 16 5.039 1.213 3.650 1.00 0.00 N ATOM 233 CA LEU A 16 4.884 -0.141 4.203 1.00 0.00 C ATOM 234 C LEU A 16 3.420 -0.455 4.558 1.00 0.00 C ATOM 235 O LEU A 16 2.871 -1.473 4.136 1.00 0.00 O ATOM 236 CB LEU A 16 5.796 -0.256 5.443 1.00 0.00 C ATOM 237 CG LEU A 16 5.710 -1.595 6.203 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.149 -2.782 5.346 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.602 -1.538 7.444 1.00 0.00 C ATOM 0 H LEU A 16 5.656 1.804 4.207 1.00 0.00 H new ATOM 0 HA LEU A 16 5.175 -0.874 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.828 -0.101 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.547 0.551 6.132 1.00 0.00 H new ATOM 0 HG LEU A 16 4.665 -1.741 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.070 -3.700 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.508 -2.853 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.183 -2.641 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.540 -2.485 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.634 -1.358 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.268 -0.730 8.095 1.00 0.00 H new ATOM 251 N TYR A 17 2.779 0.437 5.314 1.00 0.00 N ATOM 252 CA TYR A 17 1.390 0.283 5.761 1.00 0.00 C ATOM 253 C TYR A 17 0.396 0.485 4.608 1.00 0.00 C ATOM 254 O TYR A 17 -0.633 -0.190 4.559 1.00 0.00 O ATOM 255 CB TYR A 17 1.108 1.257 6.916 1.00 0.00 C ATOM 256 CG TYR A 17 2.184 1.262 7.990 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.219 0.261 8.981 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.192 2.242 7.955 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.273 0.231 9.915 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.248 2.221 8.885 1.00 0.00 C ATOM 261 CZ TYR A 17 4.294 1.207 9.868 1.00 0.00 C ATOM 262 OH TYR A 17 5.313 1.167 10.770 1.00 0.00 O ATOM 0 H TYR A 17 3.215 1.300 5.639 1.00 0.00 H new ATOM 0 HA TYR A 17 1.254 -0.738 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.005 2.264 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.153 0.998 7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.438 -0.483 9.024 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.155 3.019 7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.301 -0.541 10.670 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.019 2.976 8.848 1.00 0.00 H new ATOM 0 HH TYR A 17 5.931 1.908 10.599 1.00 0.00 H new ATOM 272 N ALA A 18 0.730 1.357 3.646 1.00 0.00 N ATOM 273 CA ALA A 18 -0.022 1.516 2.401 1.00 0.00 C ATOM 274 C ALA A 18 -0.001 0.230 1.551 1.00 0.00 C ATOM 275 O ALA A 18 -1.060 -0.292 1.209 1.00 0.00 O ATOM 276 CB ALA A 18 0.535 2.721 1.633 1.00 0.00 C ATOM 0 H ALA A 18 1.538 1.976 3.715 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.070 1.701 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.019 2.848 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.433 3.619 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.588 2.554 1.408 1.00 0.00 H new ATOM 282 N TYR A 19 1.176 -0.350 1.279 1.00 0.00 N ATOM 283 CA TYR A 19 1.308 -1.653 0.606 1.00 0.00 C ATOM 284 C TYR A 19 0.544 -2.763 1.350 1.00 0.00 C ATOM 285 O TYR A 19 -0.121 -3.593 0.727 1.00 0.00 O ATOM 286 CB TYR A 19 2.798 -2.000 0.460 1.00 0.00 C ATOM 287 CG TYR A 19 3.074 -3.268 -0.329 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.155 -4.512 0.330 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.257 -3.201 -1.725 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.409 -5.687 -0.406 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.519 -4.373 -2.462 1.00 0.00 C ATOM 292 CZ TYR A 19 3.593 -5.620 -1.804 1.00 0.00 C ATOM 293 OH TYR A 19 3.839 -6.759 -2.507 1.00 0.00 O ATOM 0 H TYR A 19 2.072 0.074 1.521 1.00 0.00 H new ATOM 0 HA TYR A 19 0.859 -1.580 -0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.306 -1.167 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.233 -2.103 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.022 -4.565 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.196 -2.249 -2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.463 -6.640 0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.663 -4.317 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 19 3.940 -6.542 -3.457 1.00 0.00 H new ATOM 303 N GLY A 20 0.539 -2.711 2.686 1.00 0.00 N ATOM 304 CA GLY A 20 -0.225 -3.586 3.581 1.00 0.00 C ATOM 305 C GLY A 20 -1.757 -3.554 3.457 1.00 0.00 C ATOM 306 O GLY A 20 -2.418 -4.304 4.178 1.00 0.00 O ATOM 0 H GLY A 20 1.094 -2.025 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.106 -4.611 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.036 -3.330 4.608 1.00 0.00 H new ATOM 310 N LEU A 21 -2.327 -2.731 2.564 1.00 0.00 N ATOM 311 CA LEU A 21 -3.756 -2.752 2.200 1.00 0.00 C ATOM 312 C LEU A 21 -4.049 -2.454 0.713 1.00 0.00 C ATOM 313 O LEU A 21 -5.097 -2.857 0.206 1.00 0.00 O ATOM 314 CB LEU A 21 -4.538 -1.847 3.175 1.00 0.00 C ATOM 315 CG LEU A 21 -4.261 -0.331 3.096 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.186 0.376 2.100 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.501 0.307 4.467 1.00 0.00 C ATOM 0 H LEU A 21 -1.798 -2.017 2.063 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.108 -3.778 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.603 -2.006 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.324 -2.178 4.191 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.227 -0.216 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.953 1.441 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.041 -0.046 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.223 0.237 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.305 1.378 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.536 0.143 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.834 -0.145 5.201 1.00 0.00 H new HETATM 329 N ABA A 22 -3.125 -1.809 -0.008 1.00 0.00 N HETATM 330 CA ABA A 22 -3.173 -1.620 -1.466 1.00 0.00 C HETATM 331 C ABA A 22 -2.664 -2.847 -2.248 1.00 0.00 C HETATM 332 O ABA A 22 -2.948 -2.975 -3.440 1.00 0.00 O HETATM 333 CB ABA A 22 -2.363 -0.372 -1.859 1.00 0.00 C HETATM 334 CG ABA A 22 -2.976 0.923 -1.311 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.012 0.876 -0.223 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -3.986 1.042 -1.703 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.366 1.773 -1.617 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.302 -0.310 -2.946 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.343 -0.473 -1.488 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.221 -1.486 -1.735 1.00 0.00 H new ATOM 342 N PHE A 23 -1.949 -3.765 -1.584 1.00 0.00 N ATOM 343 CA PHE A 23 -1.431 -5.015 -2.160 1.00 0.00 C ATOM 344 C PHE A 23 -1.674 -6.222 -1.244 1.00 0.00 C ATOM 345 O PHE A 23 -2.194 -7.235 -1.716 1.00 0.00 O ATOM 346 CB PHE A 23 0.070 -4.861 -2.472 1.00 0.00 C ATOM 347 CG PHE A 23 0.402 -4.851 -3.950 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.480 -6.065 -4.659 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.649 -3.635 -4.617 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.812 -6.067 -6.026 1.00 0.00 C ATOM 351 CE2 PHE A 23 0.979 -3.638 -5.985 1.00 0.00 C ATOM 352 CZ PHE A 23 1.063 -4.852 -6.689 1.00 0.00 C ATOM 0 H PHE A 23 -1.707 -3.655 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.976 -5.207 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.429 -3.934 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.614 -5.676 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.284 -6.998 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.585 -2.701 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.874 -7.000 -6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.168 -2.705 -6.495 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.320 -4.852 -7.738 1.00 0.00 H new ATOM 362 N ARG A 24 -1.351 -6.108 0.058 1.00 0.00 N ATOM 363 CA ARG A 24 -1.497 -7.144 1.114 1.00 0.00 C ATOM 364 C ARG A 24 -1.093 -8.574 0.696 1.00 0.00 C ATOM 365 O ARG A 24 -1.679 -9.563 1.137 1.00 0.00 O ATOM 366 CB ARG A 24 -2.872 -7.011 1.815 1.00 0.00 C ATOM 367 CG ARG A 24 -4.141 -6.986 0.945 1.00 0.00 C ATOM 368 CD ARG A 24 -4.516 -8.325 0.300 1.00 0.00 C ATOM 369 NE ARG A 24 -5.764 -8.195 -0.477 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.896 -7.904 -1.756 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.884 -7.705 -2.554 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.095 -7.800 -2.244 1.00 0.00 N ATOM 0 H ARG A 24 -0.958 -5.243 0.429 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.741 -6.938 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.968 -7.840 2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.856 -6.094 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.977 -6.650 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.007 -6.246 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.709 -8.660 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.639 -9.085 1.072 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.630 -8.349 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.931 -7.772 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.045 -7.482 -3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.905 -7.943 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.227 -7.576 -3.230 1.00 0.00 H new ATOM 386 N LEU A 25 -0.085 -8.669 -0.176 1.00 0.00 N ATOM 387 CA LEU A 25 0.362 -9.896 -0.852 1.00 0.00 C ATOM 388 C LEU A 25 1.056 -10.912 0.080 1.00 0.00 C ATOM 389 O LEU A 25 1.072 -12.111 -0.209 1.00 0.00 O ATOM 390 CB LEU A 25 1.305 -9.453 -1.990 1.00 0.00 C ATOM 391 CG LEU A 25 1.782 -10.561 -2.948 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.622 -11.234 -3.686 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.723 -9.959 -3.993 1.00 0.00 C ATOM 0 H LEU A 25 0.469 -7.856 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.511 -10.430 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.798 -8.688 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.182 -8.984 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 25 2.287 -11.313 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.012 -12.007 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.057 -11.685 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.084 -10.490 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.062 -10.742 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.195 -9.191 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.584 -9.514 -3.494 1.00 0.00 H new HETATM 405 N NLE A 26 1.626 -10.434 1.189 1.00 0.00 N HETATM 406 CA NLE A 26 2.457 -11.191 2.133 1.00 0.00 C HETATM 407 C NLE A 26 2.298 -10.650 3.565 1.00 0.00 C HETATM 408 O NLE A 26 2.032 -9.461 3.755 1.00 0.00 O HETATM 409 CB NLE A 26 3.925 -11.145 1.661 1.00 0.00 C HETATM 410 CG NLE A 26 4.529 -9.725 1.604 1.00 0.00 C HETATM 411 CD NLE A 26 5.912 -9.669 0.935 1.00 0.00 C HETATM 412 CE NLE A 26 5.859 -9.891 -0.582 1.00 0.00 C HETATM 0 HG3 NLE A 26 3.846 -9.071 1.062 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.609 -9.333 2.618 1.00 0.00 H new HETATM 0 HE3 NLE A 26 5.432 -10.872 -0.792 1.00 0.00 H new HETATM 0 HE2 NLE A 26 5.240 -9.120 -1.041 1.00 0.00 H new HETATM 0 HE1 NLE A 26 6.867 -9.839 -0.993 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.368 -8.700 1.138 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.557 -10.425 1.384 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.529 -11.758 2.330 1.00 0.00 H new HETATM 0 HB2 NLE A 26 3.990 -11.595 0.670 1.00 0.00 H new HETATM 0 HA NLE A 26 2.130 -12.231 2.155 1.00 0.00 H new HETATM 0 H NLE A 26 1.047 -9.663 1.523 1.00 0.00 H new ATOM 424 N GLY A 27 2.460 -11.524 4.563 1.00 0.00 N ATOM 425 CA GLY A 27 2.160 -11.221 5.973 1.00 0.00 C ATOM 426 C GLY A 27 3.070 -11.877 7.017 1.00 0.00 C ATOM 427 O GLY A 27 2.862 -11.678 8.214 1.00 0.00 O ATOM 0 H GLY A 27 2.806 -12.472 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.208 -10.140 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.133 -11.523 6.177 1.00 0.00 H new ATOM 431 N ALA A 28 4.097 -12.623 6.595 1.00 0.00 N ATOM 432 CA ALA A 28 5.096 -13.223 7.490 1.00 0.00 C ATOM 433 C ALA A 28 6.024 -12.191 8.179 1.00 0.00 C ATOM 434 O ALA A 28 6.699 -12.531 9.156 1.00 0.00 O ATOM 435 CB ALA A 28 5.911 -14.236 6.675 1.00 0.00 C ATOM 0 H ALA A 28 4.261 -12.830 5.610 1.00 0.00 H new ATOM 0 HA ALA A 28 4.566 -13.710 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.662 -14.698 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.247 -15.005 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.404 -13.725 5.848 1.00 0.00 H new ATOM 441 N SER A 29 6.058 -10.944 7.684 1.00 0.00 N ATOM 442 CA SER A 29 7.048 -9.917 8.063 1.00 0.00 C ATOM 443 C SER A 29 6.472 -8.498 8.238 1.00 0.00 C ATOM 444 O SER A 29 7.240 -7.561 8.473 1.00 0.00 O ATOM 445 CB SER A 29 8.170 -9.874 7.008 1.00 0.00 C ATOM 446 OG SER A 29 8.759 -11.152 6.797 1.00 0.00 O ATOM 0 H SER A 29 5.384 -10.612 6.994 1.00 0.00 H new ATOM 0 HA SER A 29 7.422 -10.216 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.767 -9.502 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.939 -9.170 7.326 1.00 0.00 H new ATOM 0 HG SER A 29 9.464 -11.080 6.120 1.00 0.00 H new ATOM 452 N GLY A 30 5.151 -8.295 8.122 1.00 0.00 N ATOM 453 CA GLY A 30 4.548 -6.957 8.214 1.00 0.00 C ATOM 454 C GLY A 30 3.036 -6.866 7.932 1.00 0.00 C ATOM 455 O GLY A 30 2.369 -7.897 7.778 1.00 0.00 O ATOM 0 H GLY A 30 4.477 -9.044 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.733 -6.567 9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.066 -6.300 7.515 1.00 0.00 H new ATOM 459 N PRO A 31 2.488 -5.630 7.888 1.00 0.00 N ATOM 460 CA PRO A 31 1.072 -5.318 7.648 1.00 0.00 C ATOM 461 C PRO A 31 0.408 -6.102 6.502 1.00 0.00 C ATOM 462 O PRO A 31 0.902 -6.113 5.373 1.00 0.00 O ATOM 463 CB PRO A 31 1.041 -3.808 7.381 1.00 0.00 C ATOM 464 CG PRO A 31 2.188 -3.283 8.234 1.00 0.00 C ATOM 465 CD PRO A 31 3.229 -4.392 8.114 1.00 0.00 C ATOM 0 HA PRO A 31 0.484 -5.620 8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.188 -3.582 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.088 -3.367 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.566 -2.331 7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.884 -3.123 9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.915 -4.194 7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.831 -4.459 9.020 1.00 0.00 H new ATOM 473 N ASN A 32 -0.731 -6.742 6.797 1.00 0.00 N ATOM 474 CA ASN A 32 -1.488 -7.582 5.850 1.00 0.00 C ATOM 475 C ASN A 32 -2.999 -7.731 6.159 1.00 0.00 C ATOM 476 O ASN A 32 -3.715 -8.406 5.415 1.00 0.00 O ATOM 477 CB ASN A 32 -0.806 -8.966 5.797 1.00 0.00 C ATOM 478 CG ASN A 32 -0.917 -9.743 7.101 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.853 -10.495 7.329 1.00 0.00 O ATOM 480 ND2 ASN A 32 0.024 -9.587 8.003 1.00 0.00 N ATOM 0 H ASN A 32 -1.164 -6.691 7.719 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.464 -7.076 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.252 -9.552 4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.247 -8.835 5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.029 -10.092 8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.808 -8.961 7.819 1.00 0.00 H new ATOM 487 N LYS A 33 -3.498 -7.132 7.252 1.00 0.00 N ATOM 488 CA LYS A 33 -4.829 -7.406 7.843 1.00 0.00 C ATOM 489 C LYS A 33 -5.933 -6.426 7.396 1.00 0.00 C ATOM 490 O LYS A 33 -6.999 -6.371 8.016 1.00 0.00 O ATOM 491 CB LYS A 33 -4.692 -7.457 9.382 1.00 0.00 C ATOM 492 CG LYS A 33 -3.785 -8.586 9.912 1.00 0.00 C ATOM 493 CD LYS A 33 -4.354 -9.989 9.643 1.00 0.00 C ATOM 494 CE LYS A 33 -3.469 -11.052 10.302 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.006 -12.421 10.085 1.00 0.00 N ATOM 0 H LYS A 33 -2.977 -6.423 7.768 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.162 -8.373 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.300 -6.501 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.684 -7.572 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.802 -8.503 9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.643 -8.457 10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.370 -10.059 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.411 -10.167 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.459 -10.988 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.396 -10.854 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.383 -13.115 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.960 -12.489 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.052 -12.618 9.065 1.00 0.00 H new ATOM 509 N LYS A 34 -5.690 -5.655 6.331 1.00 0.00 N ATOM 510 CA LYS A 34 -6.598 -4.643 5.759 1.00 0.00 C ATOM 511 C LYS A 34 -6.604 -4.705 4.227 1.00 0.00 C ATOM 512 O LYS A 34 -5.712 -5.288 3.616 1.00 0.00 O ATOM 513 CB LYS A 34 -6.179 -3.241 6.249 1.00 0.00 C ATOM 514 CG LYS A 34 -6.578 -2.977 7.708 1.00 0.00 C ATOM 515 CD LYS A 34 -6.170 -1.559 8.136 1.00 0.00 C ATOM 516 CE LYS A 34 -6.723 -1.174 9.517 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.131 -1.979 10.621 1.00 0.00 N ATOM 0 H LYS A 34 -4.812 -5.719 5.815 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.613 -4.852 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.099 -3.133 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.636 -2.486 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.655 -3.101 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.101 -3.710 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.082 -1.488 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.526 -0.844 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.528 -0.117 9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.805 -1.304 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.540 -1.677 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.338 -2.986 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.101 -1.837 10.641 1.00 0.00 H new ATOM 531 N GLU A 35 -7.600 -4.070 3.615 1.00 0.00 N ATOM 532 CA GLU A 35 -7.760 -3.921 2.160 1.00 0.00 C ATOM 533 C GLU A 35 -8.233 -2.494 1.819 1.00 0.00 C ATOM 534 O GLU A 35 -8.710 -1.766 2.693 1.00 0.00 O ATOM 535 CB GLU A 35 -8.758 -4.960 1.612 1.00 0.00 C ATOM 536 CG GLU A 35 -8.314 -6.410 1.850 1.00 0.00 C ATOM 537 CD GLU A 35 -9.164 -7.410 1.050 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.645 -7.966 0.050 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.339 -7.658 1.417 1.00 0.00 O ATOM 0 H GLU A 35 -8.354 -3.623 4.137 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.792 -4.093 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.730 -4.803 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.890 -4.798 0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.266 -6.519 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.386 -6.642 2.913 1.00 0.00 H new ATOM 546 N SER A 36 -8.101 -2.082 0.555 1.00 0.00 N ATOM 547 CA SER A 36 -8.499 -0.744 0.080 1.00 0.00 C ATOM 548 C SER A 36 -10.013 -0.498 0.188 1.00 0.00 C ATOM 549 O SER A 36 -10.819 -1.397 -0.071 1.00 0.00 O ATOM 550 CB SER A 36 -8.051 -0.545 -1.372 1.00 0.00 C ATOM 551 OG SER A 36 -6.635 -0.570 -1.454 1.00 0.00 O ATOM 0 H SER A 36 -7.711 -2.672 -0.180 1.00 0.00 H new ATOM 0 HA SER A 36 -8.005 -0.021 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.473 -1.328 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.428 0.405 -1.750 1.00 0.00 H new ATOM 0 HG SER A 36 -6.298 -1.393 -1.042 1.00 0.00 H new ATOM 557 N ARG A 37 -10.401 0.740 0.534 1.00 0.00 N ATOM 558 CA ARG A 37 -11.790 1.206 0.754 1.00 0.00 C ATOM 559 C ARG A 37 -12.015 2.603 0.144 1.00 0.00 C ATOM 560 O ARG A 37 -11.071 3.244 -0.322 1.00 0.00 O ATOM 561 CB ARG A 37 -12.104 1.235 2.272 1.00 0.00 C ATOM 562 CG ARG A 37 -11.924 -0.089 3.034 1.00 0.00 C ATOM 563 CD ARG A 37 -12.876 -1.203 2.580 1.00 0.00 C ATOM 564 NE ARG A 37 -12.565 -2.475 3.262 1.00 0.00 N ATOM 565 CZ ARG A 37 -13.098 -3.658 3.011 1.00 0.00 C ATOM 566 NH1 ARG A 37 -14.024 -3.826 2.108 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.709 -4.709 3.673 1.00 0.00 N ATOM 0 H ARG A 37 -9.721 1.487 0.677 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.463 0.508 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.467 1.987 2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.134 1.566 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.896 -0.431 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.074 0.092 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.906 -0.915 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.798 -1.336 1.501 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.866 -2.437 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.360 -3.029 1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.412 -4.755 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.989 -4.622 4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.124 -5.619 3.475 1.00 0.00 H new ATOM 581 N GLY A 38 -13.259 3.087 0.172 1.00 0.00 N ATOM 582 CA GLY A 38 -13.647 4.420 -0.312 1.00 0.00 C ATOM 583 C GLY A 38 -15.059 4.847 0.112 1.00 0.00 C ATOM 584 O GLY A 38 -15.781 4.088 0.768 1.00 0.00 O ATOM 0 H GLY A 38 -14.046 2.552 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.930 5.153 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.585 4.433 -1.400 1.00 0.00 H new ATOM 588 N ARG A 39 -15.450 6.073 -0.267 1.00 0.00 N ATOM 589 CA ARG A 39 -16.715 6.742 0.123 1.00 0.00 C ATOM 590 C ARG A 39 -17.508 7.333 -1.063 1.00 0.00 C ATOM 591 O ARG A 39 -18.464 8.083 -0.857 1.00 0.00 O ATOM 592 CB ARG A 39 -16.410 7.812 1.197 1.00 0.00 C ATOM 593 CG ARG A 39 -16.007 7.210 2.553 1.00 0.00 C ATOM 594 CD ARG A 39 -15.769 8.322 3.583 1.00 0.00 C ATOM 595 NE ARG A 39 -15.596 7.779 4.945 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.393 8.478 6.050 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.256 9.775 6.035 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.325 7.882 7.206 1.00 0.00 N ATOM 0 H ARG A 39 -14.876 6.654 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.373 5.977 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.607 8.457 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.289 8.442 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.790 6.539 2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.103 6.612 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.883 8.893 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.611 9.014 3.572 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.637 6.765 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.304 10.283 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.101 10.282 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.428 6.869 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.168 8.428 8.053 1.00 0.00 H new ATOM 612 N GLY A 40 -17.129 7.002 -2.302 1.00 0.00 N ATOM 613 CA GLY A 40 -17.814 7.464 -3.521 1.00 0.00 C ATOM 614 C GLY A 40 -17.125 7.098 -4.846 1.00 0.00 C ATOM 615 O GLY A 40 -17.774 7.033 -5.890 1.00 0.00 O ATOM 0 H GLY A 40 -16.329 6.399 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.822 7.050 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.915 8.548 -3.471 1.00 0.00 H new HETATM 619 N NH2 A 41 -15.826 6.821 -4.842 1.00 0.00 N TER 622 NH2 A 41