USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ -163:sc= -0.0407 (180deg=-0.362) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -110:sc= 0.317 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0597 K(o=-0.06,f=-1.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.52 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.555 26.124 6.662 1.00 0.00 N ATOM 2 CA THR A 1 3.019 25.055 7.530 1.00 0.00 C ATOM 3 C THR A 1 1.831 24.268 8.088 1.00 0.00 C ATOM 4 O THR A 1 1.927 23.060 8.301 1.00 0.00 O ATOM 5 CB THR A 1 3.901 25.675 8.615 1.00 0.00 C ATOM 6 OG1 THR A 1 5.089 26.052 7.923 1.00 0.00 O ATOM 7 CG2 THR A 1 4.378 24.646 9.642 1.00 0.00 C ATOM 0 H1 THR A 1 3.344 26.460 6.073 1.00 0.00 H new ATOM 0 H2 THR A 1 1.793 25.768 6.050 1.00 0.00 H new ATOM 0 H3 THR A 1 2.196 26.910 7.241 1.00 0.00 H new ATOM 0 HA THR A 1 3.619 24.331 6.979 1.00 0.00 H new ATOM 0 HB THR A 1 3.349 26.465 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.717 26.465 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.000 25.139 10.389 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.515 24.192 10.130 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.959 23.873 9.139 1.00 0.00 H new ATOM 15 N SER A 2 0.739 24.985 8.311 1.00 0.00 N ATOM 16 CA SER A 2 -0.465 24.369 8.841 1.00 0.00 C ATOM 17 C SER A 2 -1.401 23.979 7.695 1.00 0.00 C ATOM 18 O SER A 2 -2.546 23.595 7.927 1.00 0.00 O ATOM 19 CB SER A 2 -1.181 25.308 9.815 1.00 0.00 C ATOM 20 OG SER A 2 -0.552 25.331 11.093 1.00 0.00 O ATOM 0 H SER A 2 0.663 25.987 8.134 1.00 0.00 H new ATOM 0 HA SER A 2 -0.178 23.471 9.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.198 26.316 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.218 24.992 9.927 1.00 0.00 H new ATOM 0 HG SER A 2 -1.037 25.943 11.685 1.00 0.00 H new ATOM 26 N SER A 3 -0.879 24.092 6.482 1.00 0.00 N ATOM 27 CA SER A 3 -1.654 23.756 5.300 1.00 0.00 C ATOM 28 C SER A 3 -1.287 22.352 4.816 1.00 0.00 C ATOM 29 O SER A 3 -2.037 21.737 4.059 1.00 0.00 O ATOM 30 CB SER A 3 -1.426 24.778 4.184 1.00 0.00 C ATOM 31 OG SER A 3 -2.647 25.366 3.742 1.00 0.00 O ATOM 0 H SER A 3 0.071 24.411 6.293 1.00 0.00 H new ATOM 0 HA SER A 3 -2.711 23.777 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.755 25.560 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.932 24.292 3.343 1.00 0.00 H new ATOM 0 HG SER A 3 -2.460 26.014 3.031 1.00 0.00 H new ATOM 37 N ILE A 4 -0.135 21.885 5.273 1.00 0.00 N ATOM 38 CA ILE A 4 0.340 20.564 4.897 1.00 0.00 C ATOM 39 C ILE A 4 -0.537 19.502 5.564 1.00 0.00 C ATOM 40 O ILE A 4 -1.021 18.586 4.901 1.00 0.00 O ATOM 41 CB ILE A 4 1.829 20.419 5.214 1.00 0.00 C ATOM 42 CG1 ILE A 4 2.673 21.314 4.303 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.266 18.955 5.143 1.00 0.00 C ATOM 44 CD1 ILE A 4 2.346 21.060 2.830 1.00 0.00 C ATOM 0 H ILE A 4 0.484 22.398 5.901 1.00 0.00 H new ATOM 0 HA ILE A 4 0.252 20.420 3.820 1.00 0.00 H new ATOM 0 HB ILE A 4 1.994 20.754 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.490 22.361 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.732 21.126 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.329 18.881 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.697 18.370 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.084 18.569 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.959 21.708 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.553 20.018 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.292 21.272 2.649 1.00 0.00 H new ATOM 56 N VAL A 5 -0.715 19.661 6.867 1.00 0.00 N ATOM 57 CA VAL A 5 -1.525 18.728 7.631 1.00 0.00 C ATOM 58 C VAL A 5 -2.820 18.441 6.869 1.00 0.00 C ATOM 59 O VAL A 5 -3.157 17.284 6.624 1.00 0.00 O ATOM 60 CB VAL A 5 -1.768 19.276 9.039 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.801 18.430 9.786 1.00 0.00 C ATOM 62 CG2 VAL A 5 -0.459 19.365 9.826 1.00 0.00 C ATOM 0 H VAL A 5 -0.312 20.422 7.413 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.002 17.779 7.752 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.169 20.285 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.955 18.841 10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.744 18.441 9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.441 17.404 9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.660 19.757 10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.016 18.372 9.909 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.233 20.029 9.307 1.00 0.00 H new ATOM 72 N HIS A 6 -3.511 19.515 6.516 1.00 0.00 N ATOM 73 CA HIS A 6 -4.762 19.393 5.787 1.00 0.00 C ATOM 74 C HIS A 6 -4.593 18.395 4.640 1.00 0.00 C ATOM 75 O HIS A 6 -5.273 17.371 4.598 1.00 0.00 O ATOM 76 CB HIS A 6 -5.251 20.764 5.314 1.00 0.00 C ATOM 77 CG HIS A 6 -6.475 20.708 4.432 1.00 0.00 C ATOM 78 ND1 HIS A 6 -7.734 20.399 4.915 1.00 0.00 N ATOM 79 CD2 HIS A 6 -6.620 20.926 3.093 1.00 0.00 C ATOM 80 CE1 HIS A 6 -8.590 20.432 3.905 1.00 0.00 C ATOM 81 NE2 HIS A 6 -7.898 20.758 2.776 1.00 0.00 N ATOM 0 H HIS A 6 -3.228 20.473 6.721 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.536 19.004 6.449 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.472 21.380 6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.446 21.258 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.829 21.190 2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.650 20.235 3.965 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.297 20.856 1.842 1.00 0.00 H new ATOM 90 N LEU A 7 -3.683 18.729 3.737 1.00 0.00 N ATOM 91 CA LEU A 7 -3.416 17.875 2.592 1.00 0.00 C ATOM 92 C LEU A 7 -2.392 16.808 2.986 1.00 0.00 C ATOM 93 O LEU A 7 -1.355 16.669 2.338 1.00 0.00 O ATOM 94 CB LEU A 7 -2.995 18.715 1.384 1.00 0.00 C ATOM 95 CG LEU A 7 -1.581 19.297 1.431 1.00 0.00 C ATOM 96 CD1 LEU A 7 -0.769 18.863 0.209 1.00 0.00 C ATOM 97 CD2 LEU A 7 -1.620 20.819 1.582 1.00 0.00 C ATOM 0 H LEU A 7 -3.121 19.579 3.775 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.322 17.351 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.083 18.098 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.702 19.538 1.275 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.076 18.899 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.232 19.290 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.699 17.776 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.261 19.214 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.602 21.208 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.150 21.255 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.136 21.080 2.506 1.00 0.00 H new ATOM 109 N CYS A 8 -2.719 16.082 4.045 1.00 0.00 N ATOM 110 CA CYS A 8 -1.841 15.032 4.532 1.00 0.00 C ATOM 111 C CYS A 8 -2.690 14.010 5.290 1.00 0.00 C ATOM 112 O CYS A 8 -2.780 12.852 4.887 1.00 0.00 O ATOM 113 CB CYS A 8 -0.713 15.595 5.400 1.00 0.00 C ATOM 114 SG CYS A 8 0.446 14.257 5.864 1.00 0.00 S ATOM 0 H CYS A 8 -3.580 16.200 4.579 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.352 14.543 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.181 16.377 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.128 16.055 6.297 1.00 0.00 H new ATOM 0 HG CYS A 8 1.401 14.745 6.599 1.00 0.00 H new ATOM 120 N ALA A 9 -3.290 14.476 6.376 1.00 0.00 N ATOM 121 CA ALA A 9 -4.128 13.617 7.195 1.00 0.00 C ATOM 122 C ALA A 9 -5.235 13.015 6.327 1.00 0.00 C ATOM 123 O ALA A 9 -5.627 11.865 6.524 1.00 0.00 O ATOM 124 CB ALA A 9 -4.683 14.418 8.374 1.00 0.00 C ATOM 0 H ALA A 9 -3.212 15.437 6.707 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.546 12.793 7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.312 13.773 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.858 14.800 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.276 15.253 8.000 1.00 0.00 H new ATOM 130 N ILE A 10 -5.708 13.818 5.385 1.00 0.00 N ATOM 131 CA ILE A 10 -6.761 13.379 4.486 1.00 0.00 C ATOM 132 C ILE A 10 -6.342 12.069 3.816 1.00 0.00 C ATOM 133 O ILE A 10 -7.165 11.176 3.619 1.00 0.00 O ATOM 134 CB ILE A 10 -7.119 14.489 3.496 1.00 0.00 C ATOM 135 CG1 ILE A 10 -8.619 14.496 3.198 1.00 0.00 C ATOM 136 CG2 ILE A 10 -6.282 14.376 2.220 1.00 0.00 C ATOM 137 CD1 ILE A 10 -9.116 15.916 2.919 1.00 0.00 C ATOM 0 H ILE A 10 -5.381 14.771 5.225 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.675 13.174 5.043 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.878 15.447 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.825 13.859 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -9.163 14.076 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.556 15.177 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.224 14.459 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.469 13.412 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.186 15.893 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.930 16.544 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.587 16.324 2.058 1.00 0.00 H new ATOM 149 N SER A 11 -5.061 11.995 3.485 1.00 0.00 N ATOM 150 CA SER A 11 -4.522 10.809 2.841 1.00 0.00 C ATOM 151 C SER A 11 -3.708 9.992 3.846 1.00 0.00 C ATOM 152 O SER A 11 -2.612 9.529 3.533 1.00 0.00 O ATOM 153 CB SER A 11 -3.657 11.182 1.636 1.00 0.00 C ATOM 154 OG SER A 11 -4.060 10.494 0.455 1.00 0.00 O ATOM 0 H SER A 11 -4.381 12.737 3.651 1.00 0.00 H new ATOM 0 HA SER A 11 -5.356 10.206 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.716 12.257 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.614 10.950 1.853 1.00 0.00 H new ATOM 0 HG SER A 11 -3.378 9.833 0.213 1.00 0.00 H new ATOM 160 N LEU A 12 -4.275 9.840 5.034 1.00 0.00 N ATOM 161 CA LEU A 12 -3.616 9.087 6.087 1.00 0.00 C ATOM 162 C LEU A 12 -4.091 7.633 6.043 1.00 0.00 C ATOM 163 O LEU A 12 -3.278 6.711 5.998 1.00 0.00 O ATOM 164 CB LEU A 12 -3.829 9.762 7.443 1.00 0.00 C ATOM 165 CG LEU A 12 -2.877 9.336 8.562 1.00 0.00 C ATOM 166 CD1 LEU A 12 -1.565 10.120 8.494 1.00 0.00 C ATOM 167 CD2 LEU A 12 -3.549 9.461 9.931 1.00 0.00 C ATOM 0 H LEU A 12 -5.184 10.226 5.290 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.538 9.076 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.740 10.840 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.851 9.565 7.768 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.631 8.284 8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.906 9.798 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.081 9.937 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.772 11.185 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.851 9.152 10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.843 10.497 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.432 8.823 9.962 1.00 0.00 H new ATOM 179 N ILE A 13 -5.406 7.473 6.057 1.00 0.00 N ATOM 180 CA ILE A 13 -5.999 6.147 6.019 1.00 0.00 C ATOM 181 C ILE A 13 -5.458 5.386 4.808 1.00 0.00 C ATOM 182 O ILE A 13 -4.631 4.487 4.954 1.00 0.00 O ATOM 183 CB ILE A 13 -7.526 6.242 6.055 1.00 0.00 C ATOM 184 CG1 ILE A 13 -8.003 6.939 7.331 1.00 0.00 C ATOM 185 CG2 ILE A 13 -8.165 4.863 5.881 1.00 0.00 C ATOM 186 CD1 ILE A 13 -8.201 8.437 7.096 1.00 0.00 C ATOM 0 H ILE A 13 -6.078 8.240 6.094 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.717 5.578 6.905 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.850 6.855 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.940 6.493 7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.275 6.785 8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.250 4.959 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.864 4.441 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.837 4.206 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.540 8.908 8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.257 8.885 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.947 8.587 6.316 1.00 0.00 H new ATOM 198 N ARG A 14 -5.947 5.773 3.639 1.00 0.00 N ATOM 199 CA ARG A 14 -5.523 5.138 2.403 1.00 0.00 C ATOM 200 C ARG A 14 -4.025 4.831 2.450 1.00 0.00 C ATOM 201 O ARG A 14 -3.564 3.871 1.834 1.00 0.00 O ATOM 202 CB ARG A 14 -5.816 6.032 1.196 1.00 0.00 C ATOM 203 CG ARG A 14 -5.834 5.216 -0.099 1.00 0.00 C ATOM 204 CD ARG A 14 -7.143 5.427 -0.861 1.00 0.00 C ATOM 205 NE ARG A 14 -6.872 5.539 -2.312 1.00 0.00 N ATOM 206 CZ ARG A 14 -7.819 5.499 -3.259 1.00 0.00 C ATOM 207 NH1 ARG A 14 -9.105 5.349 -2.914 1.00 0.00 N ATOM 208 NH2 ARG A 14 -7.480 5.609 -4.551 1.00 0.00 N ATOM 0 H ARG A 14 -6.633 6.519 3.522 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.084 4.209 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.777 6.528 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.060 6.815 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.992 5.506 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.710 4.158 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.821 4.595 -0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.639 6.330 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.903 5.654 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.363 5.265 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.826 5.319 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.501 5.723 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.201 5.579 -5.272 1.00 0.00 H new ATOM 222 N TYR A 15 -3.306 5.665 3.188 1.00 0.00 N ATOM 223 CA TYR A 15 -1.869 5.495 3.324 1.00 0.00 C ATOM 224 C TYR A 15 -1.533 4.614 4.529 1.00 0.00 C ATOM 225 O TYR A 15 -0.619 4.923 5.292 1.00 0.00 O ATOM 226 CB TYR A 15 -1.299 6.895 3.556 1.00 0.00 C ATOM 227 CG TYR A 15 -0.930 7.638 2.270 1.00 0.00 C ATOM 228 CD1 TYR A 15 -1.795 7.628 1.195 1.00 0.00 C ATOM 229 CD2 TYR A 15 0.269 8.317 2.185 1.00 0.00 C ATOM 230 CE1 TYR A 15 -1.447 8.327 -0.015 1.00 0.00 C ATOM 231 CE2 TYR A 15 0.616 9.016 0.975 1.00 0.00 C ATOM 232 CZ TYR A 15 -0.259 8.986 -0.065 1.00 0.00 C ATOM 233 OH TYR A 15 0.069 9.646 -1.208 1.00 0.00 O ATOM 0 H TYR A 15 -3.692 6.460 3.698 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.453 5.016 2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.029 7.486 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.412 6.815 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.733 7.096 1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.947 8.324 3.026 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.115 8.328 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.550 9.552 0.895 1.00 0.00 H new ATOM 0 HH TYR A 15 0.945 10.072 -1.100 1.00 0.00 H new ATOM 243 N TRP A 16 -2.290 3.535 4.663 1.00 0.00 N ATOM 244 CA TRP A 16 -2.084 2.608 5.762 1.00 0.00 C ATOM 245 C TRP A 16 -1.927 1.204 5.173 1.00 0.00 C ATOM 246 O TRP A 16 -2.165 0.996 3.985 1.00 0.00 O ATOM 247 CB TRP A 16 -3.221 2.704 6.781 1.00 0.00 C ATOM 248 CG TRP A 16 -3.286 1.526 7.755 1.00 0.00 C ATOM 249 CD1 TRP A 16 -4.033 0.417 7.659 1.00 0.00 C ATOM 250 CD2 TRP A 16 -2.541 1.382 8.982 1.00 0.00 C ATOM 251 NE1 TRP A 16 -3.825 -0.427 8.731 1.00 0.00 N ATOM 252 CE2 TRP A 16 -2.889 0.178 9.561 1.00 0.00 C ATOM 253 CE3 TRP A 16 -1.603 2.240 9.583 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -2.347 -0.276 10.769 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -1.071 1.772 10.790 1.00 0.00 C ATOM 256 CH2 TRP A 16 -1.411 0.563 11.386 1.00 0.00 C ATOM 0 H TRP A 16 -3.047 3.282 4.028 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.177 2.859 6.313 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -3.108 3.627 7.350 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.169 2.773 6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.712 0.210 6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.275 -1.329 8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.316 3.186 9.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -2.635 -1.223 11.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.346 2.394 11.294 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -0.955 0.272 12.321 1.00 0.00 H new ATOM 267 N SER A 17 -1.527 0.278 6.032 1.00 0.00 N ATOM 268 CA SER A 17 -1.335 -1.099 5.612 1.00 0.00 C ATOM 269 C SER A 17 -0.351 -1.158 4.443 1.00 0.00 C ATOM 270 O SER A 17 -0.514 -1.964 3.529 1.00 0.00 O ATOM 271 CB SER A 17 -2.665 -1.746 5.219 1.00 0.00 C ATOM 272 OG SER A 17 -2.704 -3.131 5.550 1.00 0.00 O ATOM 0 H SER A 17 -1.331 0.455 7.017 1.00 0.00 H new ATOM 0 HA SER A 17 -0.924 -1.658 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.482 -1.230 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.824 -1.625 4.148 1.00 0.00 H new ATOM 0 HG SER A 17 -3.569 -3.507 5.285 1.00 0.00 H new ATOM 278 N ILE A 18 0.650 -0.292 4.510 1.00 0.00 N ATOM 279 CA ILE A 18 1.661 -0.235 3.467 1.00 0.00 C ATOM 280 C ILE A 18 3.014 0.110 4.094 1.00 0.00 C ATOM 281 O ILE A 18 4.019 -0.535 3.801 1.00 0.00 O ATOM 282 CB ILE A 18 1.233 0.729 2.359 1.00 0.00 C ATOM 283 CG1 ILE A 18 0.266 0.051 1.386 1.00 0.00 C ATOM 284 CG2 ILE A 18 2.451 1.314 1.641 1.00 0.00 C ATOM 285 CD1 ILE A 18 -0.335 1.067 0.413 1.00 0.00 C ATOM 0 H ILE A 18 0.783 0.376 5.270 1.00 0.00 H new ATOM 0 HA ILE A 18 1.770 -1.208 2.987 1.00 0.00 H new ATOM 0 HB ILE A 18 0.699 1.561 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.790 -0.725 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.532 -0.440 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.119 1.996 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.069 1.856 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.034 0.507 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.018 0.559 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.879 1.829 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.463 1.538 -0.160 1.00 0.00 H new ATOM 297 N THR A 19 2.995 1.126 4.944 1.00 0.00 N ATOM 298 CA THR A 19 4.207 1.563 5.614 1.00 0.00 C ATOM 299 C THR A 19 5.031 0.357 6.068 1.00 0.00 C ATOM 300 O THR A 19 6.251 0.339 5.910 1.00 0.00 O ATOM 301 CB THR A 19 3.804 2.491 6.763 1.00 0.00 C ATOM 302 OG1 THR A 19 5.026 3.113 7.151 1.00 0.00 O ATOM 303 CG2 THR A 19 3.364 1.721 8.010 1.00 0.00 C ATOM 0 H THR A 19 2.159 1.659 5.184 1.00 0.00 H new ATOM 0 HA THR A 19 4.853 2.121 4.937 1.00 0.00 H new ATOM 0 HB THR A 19 2.995 3.144 6.436 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.857 3.733 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.089 2.426 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.505 1.095 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.184 1.093 8.358 1.00 0.00 H new ATOM 311 N GLN A 20 4.332 -0.622 6.623 1.00 0.00 N ATOM 312 CA GLN A 20 4.983 -1.830 7.101 1.00 0.00 C ATOM 313 C GLN A 20 6.009 -2.320 6.077 1.00 0.00 C ATOM 314 O GLN A 20 7.096 -2.763 6.445 1.00 0.00 O ATOM 315 CB GLN A 20 3.956 -2.920 7.414 1.00 0.00 C ATOM 316 CG GLN A 20 3.527 -2.863 8.881 1.00 0.00 C ATOM 317 CD GLN A 20 2.834 -4.161 9.300 1.00 0.00 C ATOM 318 OE1 GLN A 20 2.837 -5.154 8.591 1.00 0.00 O ATOM 319 NE2 GLN A 20 2.241 -4.099 10.489 1.00 0.00 N ATOM 0 H GLN A 20 3.320 -0.603 6.752 1.00 0.00 H new ATOM 0 HA GLN A 20 5.507 -1.595 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.084 -2.799 6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.381 -3.899 7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.399 -2.692 9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.852 -2.021 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.276 -3.236 11.032 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.751 -4.914 10.858 1.00 0.00 H new ATOM 328 N ALA A 21 5.627 -2.225 4.812 1.00 0.00 N ATOM 329 CA ALA A 21 6.499 -2.653 3.732 1.00 0.00 C ATOM 330 C ALA A 21 6.944 -1.432 2.926 1.00 0.00 C ATOM 331 O ALA A 21 6.569 -1.280 1.764 1.00 0.00 O ATOM 332 CB ALA A 21 5.774 -3.689 2.870 1.00 0.00 C ATOM 0 H ALA A 21 4.724 -1.858 4.511 1.00 0.00 H new ATOM 0 HA ALA A 21 7.395 -3.129 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.428 -4.010 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.507 -4.550 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.870 -3.246 2.452 1.00 0.00 H new ATOM 338 N ILE A 22 7.737 -0.591 3.574 1.00 0.00 N ATOM 339 CA ILE A 22 8.236 0.613 2.932 1.00 0.00 C ATOM 340 C ILE A 22 9.747 0.713 3.151 1.00 0.00 C ATOM 341 O ILE A 22 10.517 0.740 2.192 1.00 0.00 O ATOM 342 CB ILE A 22 7.462 1.840 3.417 1.00 0.00 C ATOM 343 CG1 ILE A 22 6.083 1.914 2.756 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.271 3.120 3.200 1.00 0.00 C ATOM 345 CD1 ILE A 22 6.210 2.021 1.235 1.00 0.00 C ATOM 0 H ILE A 22 8.046 -0.720 4.537 1.00 0.00 H new ATOM 0 HA ILE A 22 8.071 0.567 1.856 1.00 0.00 H new ATOM 0 HB ILE A 22 7.300 1.740 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.504 1.028 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.537 2.775 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.698 3.977 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.208 3.057 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.485 3.240 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.216 2.072 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.769 2.921 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.735 1.146 0.851 1.00 0.00 H new ATOM 357 N GLU A 23 10.126 0.766 4.420 1.00 0.00 N ATOM 358 CA GLU A 23 11.531 0.863 4.778 1.00 0.00 C ATOM 359 C GLU A 23 12.119 -0.532 5.003 1.00 0.00 C ATOM 360 O GLU A 23 13.108 -0.902 4.372 1.00 0.00 O ATOM 361 CB GLU A 23 11.723 1.745 6.013 1.00 0.00 C ATOM 362 CG GLU A 23 12.484 3.025 5.660 1.00 0.00 C ATOM 363 CD GLU A 23 11.532 4.103 5.139 1.00 0.00 C ATOM 364 OE1 GLU A 23 10.864 3.826 4.119 1.00 0.00 O ATOM 365 OE2 GLU A 23 11.493 5.180 5.772 1.00 0.00 O ATOM 0 H GLU A 23 9.484 0.744 5.213 1.00 0.00 H new ATOM 0 HA GLU A 23 12.065 1.332 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.752 2.000 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.269 1.192 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.010 3.394 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.240 2.807 4.905 1.00 0.00 H new ATOM 372 N TYR A 24 11.486 -1.267 5.906 1.00 0.00 N ATOM 373 CA TYR A 24 11.934 -2.612 6.223 1.00 0.00 C ATOM 374 C TYR A 24 12.372 -3.356 4.960 1.00 0.00 C ATOM 375 O TYR A 24 13.473 -3.902 4.906 1.00 0.00 O ATOM 376 CB TYR A 24 10.725 -3.328 6.828 1.00 0.00 C ATOM 377 CG TYR A 24 10.877 -3.657 8.315 1.00 0.00 C ATOM 378 CD1 TYR A 24 11.692 -4.698 8.711 1.00 0.00 C ATOM 379 CD2 TYR A 24 10.199 -2.914 9.259 1.00 0.00 C ATOM 380 CE1 TYR A 24 11.835 -5.008 10.110 1.00 0.00 C ATOM 381 CE2 TYR A 24 10.342 -3.224 10.658 1.00 0.00 C ATOM 382 CZ TYR A 24 11.153 -4.256 11.014 1.00 0.00 C ATOM 383 OH TYR A 24 11.288 -4.549 12.336 1.00 0.00 O ATOM 0 H TYR A 24 10.667 -0.956 6.428 1.00 0.00 H new ATOM 0 HA TYR A 24 12.786 -2.582 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.841 -2.705 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.550 -4.253 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.222 -5.280 7.972 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.561 -2.100 8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.470 -5.820 10.434 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.817 -2.650 11.407 1.00 0.00 H new ATOM 0 HH TYR A 24 10.744 -3.929 12.866 1.00 0.00 H new ATOM 393 N ASN A 25 11.487 -3.354 3.974 1.00 0.00 N ATOM 394 CA ASN A 25 11.768 -4.022 2.714 1.00 0.00 C ATOM 395 C ASN A 25 13.144 -3.586 2.207 1.00 0.00 C ATOM 396 O ASN A 25 14.012 -4.422 1.959 1.00 0.00 O ATOM 397 CB ASN A 25 10.732 -3.651 1.651 1.00 0.00 C ATOM 398 CG ASN A 25 10.634 -4.738 0.579 1.00 0.00 C ATOM 399 OD1 ASN A 25 11.189 -4.632 -0.503 1.00 0.00 O ATOM 400 ND2 ASN A 25 9.899 -5.787 0.937 1.00 0.00 N ATOM 0 H ASN A 25 10.575 -2.900 4.022 1.00 0.00 H new ATOM 0 HA ASN A 25 11.736 -5.098 2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.759 -3.509 2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.004 -2.702 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.773 -6.566 0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.462 -5.813 1.858 1.00 0.00 H new ATOM 407 N LEU A 26 13.300 -2.278 2.066 1.00 0.00 N ATOM 408 CA LEU A 26 14.555 -1.721 1.592 1.00 0.00 C ATOM 409 C LEU A 26 15.305 -1.092 2.768 1.00 0.00 C ATOM 410 O LEU A 26 15.601 0.102 2.755 1.00 0.00 O ATOM 411 CB LEU A 26 14.308 -0.753 0.433 1.00 0.00 C ATOM 412 CG LEU A 26 13.563 -1.328 -0.773 1.00 0.00 C ATOM 413 CD1 LEU A 26 12.999 -0.210 -1.653 1.00 0.00 C ATOM 414 CD2 LEU A 26 14.456 -2.285 -1.565 1.00 0.00 C ATOM 0 H LEU A 26 12.578 -1.588 2.272 1.00 0.00 H new ATOM 0 HA LEU A 26 15.193 -2.508 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.743 0.099 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.271 -0.372 0.092 1.00 0.00 H new ATOM 0 HG LEU A 26 12.716 -1.908 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.474 -0.646 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.305 0.397 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.815 0.417 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.902 -2.679 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.336 -1.750 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.767 -3.108 -0.922 1.00 0.00 H new ATOM 426 N LYS A 27 15.592 -1.925 3.759 1.00 0.00 N ATOM 427 CA LYS A 27 16.303 -1.466 4.940 1.00 0.00 C ATOM 428 C LYS A 27 16.630 -2.666 5.831 1.00 0.00 C ATOM 429 O LYS A 27 16.128 -2.769 6.949 1.00 0.00 O ATOM 430 CB LYS A 27 15.506 -0.370 5.652 1.00 0.00 C ATOM 431 CG LYS A 27 16.305 0.220 6.816 1.00 0.00 C ATOM 432 CD LYS A 27 15.396 0.515 8.011 1.00 0.00 C ATOM 433 CE LYS A 27 16.146 1.300 9.089 1.00 0.00 C ATOM 434 NZ LYS A 27 15.251 2.293 9.724 1.00 0.00 N ATOM 0 H LYS A 27 15.345 -2.915 3.768 1.00 0.00 H new ATOM 0 HA LYS A 27 17.252 -1.008 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.252 0.419 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.567 -0.781 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.089 -0.477 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.799 1.137 6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.527 1.084 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.024 -0.420 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.532 0.615 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.005 1.806 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.776 2.817 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.903 2.957 9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.445 1.804 10.162 1.00 0.00 H new ATOM 448 N ARG A 28 17.471 -3.543 5.302 1.00 0.00 N ATOM 449 CA ARG A 28 17.871 -4.732 6.035 1.00 0.00 C ATOM 450 C ARG A 28 19.366 -4.678 6.357 1.00 0.00 C ATOM 451 O ARG A 28 20.191 -4.489 5.463 1.00 0.00 O ATOM 452 CB ARG A 28 17.574 -6.000 5.233 1.00 0.00 C ATOM 453 CG ARG A 28 18.390 -6.034 3.939 1.00 0.00 C ATOM 454 CD ARG A 28 17.951 -7.195 3.045 1.00 0.00 C ATOM 455 NE ARG A 28 16.817 -6.775 2.191 1.00 0.00 N ATOM 456 CZ ARG A 28 16.914 -5.878 1.201 1.00 0.00 C ATOM 457 NH1 ARG A 28 18.093 -5.301 0.933 1.00 0.00 N ATOM 458 NH2 ARG A 28 15.832 -5.558 0.478 1.00 0.00 N ATOM 0 H ARG A 28 17.886 -3.454 4.375 1.00 0.00 H new ATOM 0 HA ARG A 28 17.297 -4.760 6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.805 -6.878 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.511 -6.045 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.269 -5.092 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.449 -6.133 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.784 -7.521 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.659 -8.047 3.659 1.00 0.00 H new ATOM 0 HE ARG A 28 15.904 -7.195 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.917 -5.545 1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.167 -4.618 0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.934 -5.998 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.906 -4.875 -0.276 1.00 0.00 H new ATOM 472 N THR A 29 19.671 -4.848 7.635 1.00 0.00 N ATOM 473 CA THR A 29 21.052 -4.821 8.085 1.00 0.00 C ATOM 474 C THR A 29 21.296 -5.920 9.122 1.00 0.00 C ATOM 475 O THR A 29 20.368 -6.352 9.804 1.00 0.00 O ATOM 476 CB THR A 29 21.352 -3.415 8.608 1.00 0.00 C ATOM 477 OG1 THR A 29 22.372 -3.617 9.582 1.00 0.00 O ATOM 478 CG2 THR A 29 20.187 -2.826 9.406 1.00 0.00 C ATOM 0 H THR A 29 18.985 -5.005 8.373 1.00 0.00 H new ATOM 0 HA THR A 29 21.739 -5.032 7.266 1.00 0.00 H new ATOM 0 HB THR A 29 21.587 -2.759 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 29 22.628 -2.755 9.971 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.452 -1.828 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 29 19.304 -2.766 8.770 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.974 -3.464 10.263 1.00 0.00 H new ATOM 486 N PRO A 30 22.583 -6.351 9.210 1.00 0.00 N ATOM 487 CA PRO A 30 22.961 -7.391 10.152 1.00 0.00 C ATOM 488 C PRO A 30 23.010 -6.845 11.580 1.00 0.00 C ATOM 489 O PRO A 30 22.758 -5.663 11.806 1.00 0.00 O ATOM 490 CB PRO A 30 24.309 -7.894 9.662 1.00 0.00 C ATOM 491 CG PRO A 30 24.851 -6.810 8.744 1.00 0.00 C ATOM 492 CD PRO A 30 23.708 -5.862 8.418 1.00 0.00 C ATOM 0 HA PRO A 30 22.238 -8.205 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 30 24.986 -8.073 10.497 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.203 -8.839 9.130 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.667 -6.273 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.255 -7.249 7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.959 -4.834 8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 30 23.477 -5.872 7.353 1.00 0.00 H new ATOM 500 N ARG A 31 23.335 -7.734 12.508 1.00 0.00 N ATOM 501 CA ARG A 31 23.420 -7.356 13.909 1.00 0.00 C ATOM 502 C ARG A 31 24.223 -8.396 14.691 1.00 0.00 C ATOM 503 O ARG A 31 23.969 -9.595 14.580 1.00 0.00 O ATOM 504 CB ARG A 31 22.027 -7.225 14.529 1.00 0.00 C ATOM 505 CG ARG A 31 22.096 -6.526 15.888 1.00 0.00 C ATOM 506 CD ARG A 31 21.029 -5.435 15.998 1.00 0.00 C ATOM 507 NE ARG A 31 20.882 -5.011 17.409 1.00 0.00 N ATOM 508 CZ ARG A 31 19.801 -4.389 17.898 1.00 0.00 C ATOM 509 NH1 ARG A 31 18.765 -4.115 17.093 1.00 0.00 N ATOM 510 NH2 ARG A 31 19.755 -4.041 19.191 1.00 0.00 N ATOM 0 H ARG A 31 23.542 -8.714 12.317 1.00 0.00 H new ATOM 0 HA ARG A 31 23.922 -6.390 13.962 1.00 0.00 H new ATOM 0 HB2 ARG A 31 21.378 -6.661 13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 31 21.583 -8.213 14.646 1.00 0.00 H new ATOM 0 HG2 ARG A 31 21.957 -7.257 16.684 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.085 -6.088 16.026 1.00 0.00 H new ATOM 0 HD2 ARG A 31 21.305 -4.581 15.380 1.00 0.00 H new ATOM 0 HD3 ARG A 31 20.077 -5.807 15.620 1.00 0.00 H new ATOM 0 HE ARG A 31 21.652 -5.205 18.049 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.800 -4.380 16.109 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.942 -3.641 17.465 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.543 -4.250 19.804 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.932 -3.567 19.563 1.00 0.00 H new ATOM 524 N ARG A 32 25.178 -7.901 15.465 1.00 0.00 N ATOM 525 CA ARG A 32 26.020 -8.772 16.266 1.00 0.00 C ATOM 526 C ARG A 32 25.287 -9.196 17.540 1.00 0.00 C ATOM 527 O ARG A 32 24.747 -10.299 17.611 1.00 0.00 O ATOM 528 CB ARG A 32 27.329 -8.076 16.647 1.00 0.00 C ATOM 529 CG ARG A 32 27.061 -6.841 17.509 1.00 0.00 C ATOM 530 CD ARG A 32 28.321 -6.419 18.268 1.00 0.00 C ATOM 531 NE ARG A 32 28.258 -6.909 19.664 1.00 0.00 N ATOM 532 CZ ARG A 32 27.605 -6.281 20.651 1.00 0.00 C ATOM 533 NH1 ARG A 32 26.955 -5.136 20.403 1.00 0.00 N ATOM 534 NH2 ARG A 32 27.601 -6.799 21.887 1.00 0.00 N ATOM 0 H ARG A 32 25.387 -6.907 15.554 1.00 0.00 H new ATOM 0 HA ARG A 32 26.251 -9.652 15.666 1.00 0.00 H new ATOM 0 HB2 ARG A 32 27.970 -8.771 17.190 1.00 0.00 H new ATOM 0 HB3 ARG A 32 27.866 -7.785 15.745 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.720 -6.020 16.878 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.260 -7.054 18.217 1.00 0.00 H new ATOM 0 HD2 ARG A 32 29.205 -6.820 17.773 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.415 -5.333 18.259 1.00 0.00 H new ATOM 0 HE ARG A 32 28.742 -7.779 19.888 1.00 0.00 H new ATOM 0 HH11 ARG A 32 26.957 -4.742 19.462 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.458 -4.658 21.155 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.095 -7.671 22.076 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.104 -6.321 22.639 1.00 0.00 H new TER 548 ARG A 32