USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 147 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 MET CE :methyl -148:sc= -0.155 (180deg=-0.774) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.0795 (180deg=-0.722) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0987) USER MOD Single : A 5 GLN : amide:sc= -3.74! C(o=-3.7!,f=-12!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -39:sc= 0.726 USER MOD Single : A 17 THR OG1 : rot -90:sc= -1.67 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.348 7.490 13.636 1.00 0.00 N ATOM 2 CA MET A 1 4.160 7.145 12.481 1.00 0.00 C ATOM 3 C MET A 1 3.847 5.729 11.995 1.00 0.00 C ATOM 4 O MET A 1 3.670 5.504 10.798 1.00 0.00 O ATOM 5 CB MET A 1 5.642 7.243 12.851 1.00 0.00 C ATOM 6 CG MET A 1 6.046 8.694 13.115 1.00 0.00 C ATOM 7 SD MET A 1 6.320 9.543 11.569 1.00 0.00 S ATOM 8 CE MET A 1 7.855 8.782 11.066 1.00 0.00 C ATOM 0 H1 MET A 1 3.232 8.522 13.683 1.00 0.00 H new ATOM 0 H2 MET A 1 2.414 7.040 13.551 1.00 0.00 H new ATOM 0 H3 MET A 1 3.816 7.155 14.502 1.00 0.00 H new ATOM 0 HA MET A 1 3.931 7.844 11.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.840 6.640 13.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.250 6.834 12.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.266 9.200 13.684 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.952 8.723 13.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.450 9.501 10.503 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.410 8.464 11.949 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.643 7.916 10.439 1.00 0.00 H new ATOM 18 N ASP A 2 3.789 4.809 12.947 1.00 0.00 N ATOM 19 CA ASP A 2 3.501 3.421 12.630 1.00 0.00 C ATOM 20 C ASP A 2 2.039 3.294 12.196 1.00 0.00 C ATOM 21 O ASP A 2 1.698 2.418 11.403 1.00 0.00 O ATOM 22 CB ASP A 2 3.711 2.523 13.851 1.00 0.00 C ATOM 23 CG ASP A 2 4.965 1.647 13.801 1.00 0.00 C ATOM 24 OD1 ASP A 2 6.035 2.207 13.481 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.824 0.438 14.085 1.00 0.00 O ATOM 0 H ASP A 2 3.937 4.998 13.938 1.00 0.00 H new ATOM 0 HA ASP A 2 4.176 3.110 11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.760 3.151 14.741 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.840 1.878 13.963 1.00 0.00 H new ATOM 30 N LYS A 3 1.216 4.181 12.735 1.00 0.00 N ATOM 31 CA LYS A 3 -0.201 4.180 12.413 1.00 0.00 C ATOM 32 C LYS A 3 -0.413 4.863 11.061 1.00 0.00 C ATOM 33 O LYS A 3 -1.230 4.416 10.257 1.00 0.00 O ATOM 34 CB LYS A 3 -1.010 4.805 13.551 1.00 0.00 C ATOM 35 CG LYS A 3 -0.934 3.946 14.815 1.00 0.00 C ATOM 36 CD LYS A 3 -0.243 4.702 15.952 1.00 0.00 C ATOM 37 CE LYS A 3 -1.127 5.836 16.473 1.00 0.00 C ATOM 38 NZ LYS A 3 -2.247 5.294 17.274 1.00 0.00 N ATOM 0 H LYS A 3 1.503 4.906 13.393 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.568 3.158 12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.632 5.805 13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.050 4.916 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.939 3.657 15.124 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.389 3.026 14.602 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.013 4.013 16.765 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.705 5.108 15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.533 6.518 17.082 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.517 6.415 15.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.716 6.069 17.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.932 4.831 16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.881 4.601 17.957 1.00 0.00 H new ATOM 52 N VAL A 4 0.338 5.934 10.850 1.00 0.00 N ATOM 53 CA VAL A 4 0.242 6.683 9.609 1.00 0.00 C ATOM 54 C VAL A 4 0.910 5.887 8.486 1.00 0.00 C ATOM 55 O VAL A 4 0.460 5.924 7.341 1.00 0.00 O ATOM 56 CB VAL A 4 0.843 8.078 9.792 1.00 0.00 C ATOM 57 CG1 VAL A 4 0.681 8.916 8.522 1.00 0.00 C ATOM 58 CG2 VAL A 4 0.226 8.787 10.999 1.00 0.00 C ATOM 0 H VAL A 4 1.016 6.301 11.518 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.802 6.828 9.329 1.00 0.00 H new ATOM 0 HB VAL A 4 1.910 7.961 9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.117 9.903 8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.189 8.423 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.378 9.020 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.671 9.776 11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.849 8.887 10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.416 8.204 11.900 1.00 0.00 H new ATOM 68 N GLN A 5 1.973 5.186 8.851 1.00 0.00 N ATOM 69 CA GLN A 5 2.707 4.382 7.889 1.00 0.00 C ATOM 70 C GLN A 5 1.985 3.055 7.645 1.00 0.00 C ATOM 71 O GLN A 5 2.239 2.380 6.648 1.00 0.00 O ATOM 72 CB GLN A 5 4.145 4.146 8.355 1.00 0.00 C ATOM 73 CG GLN A 5 4.212 3.006 9.373 1.00 0.00 C ATOM 74 CD GLN A 5 4.285 1.648 8.672 1.00 0.00 C ATOM 75 OE1 GLN A 5 4.630 1.540 7.507 1.00 0.00 O ATOM 76 NE2 GLN A 5 3.942 0.621 9.445 1.00 0.00 N ATOM 0 H GLN A 5 2.344 5.158 9.801 1.00 0.00 H new ATOM 0 HA GLN A 5 2.750 4.928 6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.775 3.910 7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.541 5.059 8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.085 3.136 10.013 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.335 3.039 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.663 0.782 10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.958 -0.327 9.070 1.00 0.00 H new ATOM 85 N TYR A 6 1.099 2.721 8.572 1.00 0.00 N ATOM 86 CA TYR A 6 0.339 1.487 8.470 1.00 0.00 C ATOM 87 C TYR A 6 -0.816 1.635 7.478 1.00 0.00 C ATOM 88 O TYR A 6 -1.038 0.760 6.643 1.00 0.00 O ATOM 89 CB TYR A 6 -0.233 1.227 9.865 1.00 0.00 C ATOM 90 CG TYR A 6 -1.480 0.341 9.872 1.00 0.00 C ATOM 91 CD1 TYR A 6 -2.730 0.908 9.724 1.00 0.00 C ATOM 92 CD2 TYR A 6 -1.356 -1.024 10.025 1.00 0.00 C ATOM 93 CE1 TYR A 6 -3.904 0.074 9.730 1.00 0.00 C ATOM 94 CE2 TYR A 6 -2.530 -1.858 10.031 1.00 0.00 C ATOM 95 CZ TYR A 6 -3.746 -1.268 9.883 1.00 0.00 C ATOM 96 OH TYR A 6 -4.855 -2.055 9.889 1.00 0.00 O ATOM 0 H TYR A 6 0.891 3.283 9.397 1.00 0.00 H new ATOM 0 HA TYR A 6 0.974 0.673 8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.536 0.759 10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.476 2.182 10.330 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.827 1.977 9.604 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.378 -1.468 10.140 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.888 0.505 9.616 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.446 -2.928 10.150 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.591 -2.992 10.005 1.00 0.00 H new ATOM 106 N LEU A 7 -1.522 2.749 7.603 1.00 0.00 N ATOM 107 CA LEU A 7 -2.649 3.023 6.727 1.00 0.00 C ATOM 108 C LEU A 7 -2.131 3.364 5.328 1.00 0.00 C ATOM 109 O LEU A 7 -2.725 2.963 4.328 1.00 0.00 O ATOM 110 CB LEU A 7 -3.546 4.106 7.331 1.00 0.00 C ATOM 111 CG LEU A 7 -5.034 4.013 6.988 1.00 0.00 C ATOM 112 CD1 LEU A 7 -5.892 4.623 8.098 1.00 0.00 C ATOM 113 CD2 LEU A 7 -5.323 4.647 5.626 1.00 0.00 C ATOM 0 H LEU A 7 -1.336 3.472 8.297 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.278 2.138 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.441 4.074 8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.178 5.079 7.004 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.303 2.959 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.945 4.544 7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.715 4.088 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.628 5.673 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.388 4.568 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.034 5.698 5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.754 4.128 4.855 1.00 0.00 H new ATOM 125 N THR A 8 -1.030 4.100 5.302 1.00 0.00 N ATOM 126 CA THR A 8 -0.426 4.499 4.042 1.00 0.00 C ATOM 127 C THR A 8 -0.076 3.267 3.205 1.00 0.00 C ATOM 128 O THR A 8 -0.278 3.259 1.992 1.00 0.00 O ATOM 129 CB THR A 8 0.782 5.384 4.356 1.00 0.00 C ATOM 130 OG1 THR A 8 0.209 6.622 4.767 1.00 0.00 O ATOM 131 CG2 THR A 8 1.587 5.742 3.105 1.00 0.00 C ATOM 0 H THR A 8 -0.540 4.431 6.133 1.00 0.00 H new ATOM 0 HA THR A 8 -1.122 5.078 3.435 1.00 0.00 H new ATOM 0 HB THR A 8 1.429 4.874 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.211 6.675 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.432 6.371 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.953 4.830 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.950 6.281 2.404 1.00 0.00 H new ATOM 139 N ARG A 9 0.442 2.256 3.886 1.00 0.00 N ATOM 140 CA ARG A 9 0.822 1.022 3.221 1.00 0.00 C ATOM 141 C ARG A 9 -0.424 0.235 2.810 1.00 0.00 C ATOM 142 O ARG A 9 -0.424 -0.444 1.785 1.00 0.00 O ATOM 143 CB ARG A 9 1.691 0.150 4.130 1.00 0.00 C ATOM 144 CG ARG A 9 3.158 0.579 4.061 1.00 0.00 C ATOM 145 CD ARG A 9 3.959 -0.017 5.221 1.00 0.00 C ATOM 146 NE ARG A 9 4.165 -1.466 5.002 1.00 0.00 N ATOM 147 CZ ARG A 9 4.919 -2.245 5.789 1.00 0.00 C ATOM 148 NH1 ARG A 9 5.543 -1.719 6.852 1.00 0.00 N ATOM 149 NH2 ARG A 9 5.050 -3.550 5.513 1.00 0.00 N ATOM 0 H ARG A 9 0.608 2.266 4.892 1.00 0.00 H new ATOM 0 HA ARG A 9 1.397 1.288 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.335 0.222 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.599 -0.895 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.590 0.258 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.224 1.667 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.922 0.487 5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.430 0.146 6.160 1.00 0.00 H new ATOM 0 HE ARG A 9 3.704 -1.899 4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.444 -0.726 7.062 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.117 -2.312 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.576 -3.950 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.624 -4.143 6.112 1.00 0.00 H new ATOM 163 N SER A 10 -1.456 0.352 3.633 1.00 0.00 N ATOM 164 CA SER A 10 -2.706 -0.341 3.369 1.00 0.00 C ATOM 165 C SER A 10 -3.314 0.160 2.057 1.00 0.00 C ATOM 166 O SER A 10 -3.874 -0.622 1.291 1.00 0.00 O ATOM 167 CB SER A 10 -3.696 -0.149 4.520 1.00 0.00 C ATOM 168 OG SER A 10 -3.562 -1.161 5.513 1.00 0.00 O ATOM 0 H SER A 10 -1.452 0.916 4.483 1.00 0.00 H new ATOM 0 HA SER A 10 -2.495 -1.407 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.538 0.829 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.713 -0.158 4.129 1.00 0.00 H new ATOM 0 HG SER A 10 -4.210 -1.002 6.231 1.00 0.00 H new ATOM 174 N ALA A 11 -3.183 1.460 1.839 1.00 0.00 N ATOM 175 CA ALA A 11 -3.712 2.073 0.633 1.00 0.00 C ATOM 176 C ALA A 11 -2.759 1.802 -0.533 1.00 0.00 C ATOM 177 O ALA A 11 -3.199 1.561 -1.656 1.00 0.00 O ATOM 178 CB ALA A 11 -3.928 3.569 0.873 1.00 0.00 C ATOM 0 H ALA A 11 -2.718 2.106 2.477 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.679 1.640 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.325 4.029 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.635 3.708 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.978 4.037 1.131 1.00 0.00 H new ATOM 184 N ILE A 12 -1.471 1.851 -0.226 1.00 0.00 N ATOM 185 CA ILE A 12 -0.452 1.614 -1.234 1.00 0.00 C ATOM 186 C ILE A 12 -0.464 0.135 -1.627 1.00 0.00 C ATOM 187 O ILE A 12 -0.136 -0.212 -2.761 1.00 0.00 O ATOM 188 CB ILE A 12 0.911 2.110 -0.746 1.00 0.00 C ATOM 189 CG1 ILE A 12 0.964 3.638 -0.730 1.00 0.00 C ATOM 190 CG2 ILE A 12 2.044 1.505 -1.577 1.00 0.00 C ATOM 191 CD1 ILE A 12 0.654 4.213 -2.114 1.00 0.00 C ATOM 0 H ILE A 12 -1.110 2.051 0.707 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.669 2.186 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 12 1.050 1.773 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.248 4.023 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.952 3.968 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.002 1.874 -1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.017 0.419 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.922 1.791 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.698 5.301 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.387 3.846 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.344 3.902 -2.422 1.00 0.00 H new ATOM 203 N ARG A 13 -0.846 -0.696 -0.668 1.00 0.00 N ATOM 204 CA ARG A 13 -0.904 -2.129 -0.900 1.00 0.00 C ATOM 205 C ARG A 13 -1.965 -2.453 -1.954 1.00 0.00 C ATOM 206 O ARG A 13 -1.727 -3.262 -2.850 1.00 0.00 O ATOM 207 CB ARG A 13 -1.232 -2.882 0.391 1.00 0.00 C ATOM 208 CG ARG A 13 0.004 -3.604 0.933 1.00 0.00 C ATOM 209 CD ARG A 13 0.557 -2.892 2.169 1.00 0.00 C ATOM 210 NE ARG A 13 1.300 -3.851 3.016 1.00 0.00 N ATOM 211 CZ ARG A 13 2.521 -4.321 2.725 1.00 0.00 C ATOM 212 NH1 ARG A 13 3.143 -3.922 1.607 1.00 0.00 N ATOM 213 NH2 ARG A 13 3.120 -5.189 3.552 1.00 0.00 N ATOM 0 H ARG A 13 -1.118 -0.404 0.271 1.00 0.00 H new ATOM 0 HA ARG A 13 0.076 -2.448 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.607 -2.183 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.027 -3.604 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.253 -4.633 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.772 -3.648 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.214 -2.077 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.259 -2.448 2.739 1.00 0.00 H new ATOM 0 HE ARG A 13 0.855 -4.175 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.687 -3.261 0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.072 -4.279 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.647 -5.492 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.049 -5.546 3.330 1.00 0.00 H new ATOM 227 N ARG A 14 -3.112 -1.806 -1.812 1.00 0.00 N ATOM 228 CA ARG A 14 -4.209 -2.015 -2.741 1.00 0.00 C ATOM 229 C ARG A 14 -3.948 -1.265 -4.049 1.00 0.00 C ATOM 230 O ARG A 14 -4.374 -1.704 -5.116 1.00 0.00 O ATOM 231 CB ARG A 14 -5.535 -1.539 -2.144 1.00 0.00 C ATOM 232 CG ARG A 14 -5.485 -0.044 -1.821 1.00 0.00 C ATOM 233 CD ARG A 14 -6.880 0.492 -1.490 1.00 0.00 C ATOM 234 NE ARG A 14 -6.856 1.197 -0.189 1.00 0.00 N ATOM 235 CZ ARG A 14 -7.003 0.590 0.997 1.00 0.00 C ATOM 236 NH1 ARG A 14 -7.186 -0.736 1.053 1.00 0.00 N ATOM 237 NH2 ARG A 14 -6.968 1.310 2.126 1.00 0.00 N ATOM 0 H ARG A 14 -3.306 -1.136 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.276 -3.085 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.346 -1.736 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.753 -2.104 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.816 0.127 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.074 0.502 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.213 1.171 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.595 -0.330 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.719 2.208 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.213 -1.284 0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.298 -1.198 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.830 2.320 2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.080 0.849 3.029 1.00 0.00 H new ATOM 251 N ALA A 15 -3.250 -0.146 -3.922 1.00 0.00 N ATOM 252 CA ALA A 15 -2.927 0.670 -5.081 1.00 0.00 C ATOM 253 C ALA A 15 -1.708 0.079 -5.792 1.00 0.00 C ATOM 254 O ALA A 15 -1.464 0.372 -6.961 1.00 0.00 O ATOM 255 CB ALA A 15 -2.700 2.117 -4.640 1.00 0.00 C ATOM 0 H ALA A 15 -2.899 0.215 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.754 0.672 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.458 2.729 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.605 2.500 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.875 2.155 -3.928 1.00 0.00 H new ATOM 261 N SER A 16 -0.975 -0.743 -5.055 1.00 0.00 N ATOM 262 CA SER A 16 0.213 -1.378 -5.600 1.00 0.00 C ATOM 263 C SER A 16 -0.104 -2.817 -6.011 1.00 0.00 C ATOM 264 O SER A 16 0.803 -3.613 -6.249 1.00 0.00 O ATOM 265 CB SER A 16 1.362 -1.355 -4.591 1.00 0.00 C ATOM 266 OG SER A 16 2.573 -1.858 -5.149 1.00 0.00 O ATOM 0 H SER A 16 -1.181 -0.984 -4.085 1.00 0.00 H new ATOM 0 HA SER A 16 0.527 -0.817 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.519 -0.334 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.090 -1.950 -3.719 1.00 0.00 H new ATOM 0 HG SER A 16 2.373 -2.623 -5.728 1.00 0.00 H new ATOM 272 N THR A 17 -1.395 -3.107 -6.082 1.00 0.00 N ATOM 273 CA THR A 17 -1.844 -4.437 -6.460 1.00 0.00 C ATOM 274 C THR A 17 -2.742 -4.365 -7.697 1.00 0.00 C ATOM 275 O THR A 17 -3.945 -4.604 -7.609 1.00 0.00 O ATOM 276 CB THR A 17 -2.529 -5.067 -5.247 1.00 0.00 C ATOM 277 OG1 THR A 17 -3.243 -3.987 -4.651 1.00 0.00 O ATOM 278 CG2 THR A 17 -1.533 -5.495 -4.167 1.00 0.00 C ATOM 0 H THR A 17 -2.144 -2.444 -5.884 1.00 0.00 H new ATOM 0 HA THR A 17 -1.005 -5.072 -6.743 1.00 0.00 H new ATOM 0 HB THR A 17 -3.110 -5.932 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.670 -3.538 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.072 -5.936 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.842 -6.229 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.974 -4.625 -3.822 1.00 0.00 H new