USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=7 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.736 (180deg=-0.759) USER MOD Single : A 3 LYS NZ :NH3+ -137:sc=-0.000586 (180deg=-0.665) USER MOD Single : A 5 GLN : amide:sc= -2.22! C(o=-2.2!,f=-6!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 43:sc= -1.57 USER MOD Single : A 10 SER OG : rot -82:sc= 1.24 USER MOD Single : A 16 SER OG : rot -31:sc= 0.111 USER MOD Single : A 17 THR OG1 : rot -53:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.251 7.452 13.832 1.00 0.00 N ATOM 2 CA MET A 1 4.383 7.365 12.388 1.00 0.00 C ATOM 3 C MET A 1 4.097 5.945 11.896 1.00 0.00 C ATOM 4 O MET A 1 3.793 5.741 10.721 1.00 0.00 O ATOM 5 CB MET A 1 5.800 7.772 11.979 1.00 0.00 C ATOM 6 CG MET A 1 6.844 6.907 12.688 1.00 0.00 C ATOM 7 SD MET A 1 7.728 7.882 13.894 1.00 0.00 S ATOM 8 CE MET A 1 7.732 6.745 15.269 1.00 0.00 C ATOM 0 H1 MET A 1 4.417 8.432 14.137 1.00 0.00 H new ATOM 0 H2 MET A 1 3.293 7.160 14.111 1.00 0.00 H new ATOM 0 H3 MET A 1 4.949 6.826 14.283 1.00 0.00 H new ATOM 0 HA MET A 1 3.657 8.040 11.934 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.913 7.674 10.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.966 8.821 12.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.358 6.063 13.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.542 6.495 11.959 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.249 7.198 16.115 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.705 6.514 15.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.244 5.827 14.981 1.00 0.00 H new ATOM 18 N ASP A 2 4.205 5.000 12.818 1.00 0.00 N ATOM 19 CA ASP A 2 3.961 3.605 12.493 1.00 0.00 C ATOM 20 C ASP A 2 2.469 3.402 12.223 1.00 0.00 C ATOM 21 O ASP A 2 2.089 2.533 11.440 1.00 0.00 O ATOM 22 CB ASP A 2 4.361 2.691 13.653 1.00 0.00 C ATOM 23 CG ASP A 2 4.706 1.255 13.255 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.892 0.660 12.517 1.00 0.00 O ATOM 25 OD2 ASP A 2 5.776 0.785 13.699 1.00 0.00 O ATOM 0 H ASP A 2 4.458 5.173 13.791 1.00 0.00 H new ATOM 0 HA ASP A 2 4.556 3.354 11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.221 3.128 14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.544 2.666 14.374 1.00 0.00 H new ATOM 30 N LYS A 3 1.664 4.217 12.888 1.00 0.00 N ATOM 31 CA LYS A 3 0.221 4.137 12.730 1.00 0.00 C ATOM 32 C LYS A 3 -0.187 4.855 11.442 1.00 0.00 C ATOM 33 O LYS A 3 -1.073 4.393 10.725 1.00 0.00 O ATOM 34 CB LYS A 3 -0.485 4.667 13.980 1.00 0.00 C ATOM 35 CG LYS A 3 -0.347 6.188 14.084 1.00 0.00 C ATOM 36 CD LYS A 3 -0.935 6.703 15.399 1.00 0.00 C ATOM 37 CE LYS A 3 -2.464 6.669 15.367 1.00 0.00 C ATOM 38 NZ LYS A 3 -2.968 5.429 15.998 1.00 0.00 N ATOM 0 H LYS A 3 1.983 4.936 13.537 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.095 3.098 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.540 4.395 13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.061 4.198 14.868 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.705 6.467 14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.856 6.661 13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.572 6.094 16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.594 7.723 15.579 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.864 7.538 15.889 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.813 6.728 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.741 5.036 15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.197 4.734 16.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.321 5.644 16.952 1.00 0.00 H new ATOM 52 N VAL A 4 0.479 5.972 11.188 1.00 0.00 N ATOM 53 CA VAL A 4 0.197 6.757 9.999 1.00 0.00 C ATOM 54 C VAL A 4 0.766 6.041 8.773 1.00 0.00 C ATOM 55 O VAL A 4 0.186 6.101 7.690 1.00 0.00 O ATOM 56 CB VAL A 4 0.742 8.177 10.169 1.00 0.00 C ATOM 57 CG1 VAL A 4 0.592 8.980 8.875 1.00 0.00 C ATOM 58 CG2 VAL A 4 0.061 8.890 11.339 1.00 0.00 C ATOM 0 H VAL A 4 1.213 6.352 11.786 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.879 6.851 9.850 1.00 0.00 H new ATOM 0 HB VAL A 4 1.805 8.103 10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.987 9.985 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.144 8.487 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.462 9.040 8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.467 9.897 11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.012 8.948 11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.242 8.334 12.259 1.00 0.00 H new ATOM 68 N GLN A 5 1.894 5.379 8.984 1.00 0.00 N ATOM 69 CA GLN A 5 2.547 4.652 7.909 1.00 0.00 C ATOM 70 C GLN A 5 1.863 3.301 7.689 1.00 0.00 C ATOM 71 O GLN A 5 2.077 2.652 6.667 1.00 0.00 O ATOM 72 CB GLN A 5 4.039 4.470 8.198 1.00 0.00 C ATOM 73 CG GLN A 5 4.275 3.288 9.140 1.00 0.00 C ATOM 74 CD GLN A 5 4.354 1.973 8.361 1.00 0.00 C ATOM 75 OE1 GLN A 5 4.730 1.931 7.201 1.00 0.00 O ATOM 76 NE2 GLN A 5 3.981 0.906 9.062 1.00 0.00 N ATOM 0 H GLN A 5 2.372 5.331 9.884 1.00 0.00 H new ATOM 0 HA GLN A 5 2.456 5.237 6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.577 4.308 7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.440 5.380 8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.199 3.441 9.697 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.468 3.234 9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.677 1.012 10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.999 -0.019 8.632 1.00 0.00 H new ATOM 85 N TYR A 6 1.054 2.918 8.666 1.00 0.00 N ATOM 86 CA TYR A 6 0.337 1.656 8.592 1.00 0.00 C ATOM 87 C TYR A 6 -0.895 1.778 7.692 1.00 0.00 C ATOM 88 O TYR A 6 -1.220 0.852 6.951 1.00 0.00 O ATOM 89 CB TYR A 6 -0.118 1.345 10.020 1.00 0.00 C ATOM 90 CG TYR A 6 -1.229 0.297 10.104 1.00 0.00 C ATOM 91 CD1 TYR A 6 -2.532 0.647 9.813 1.00 0.00 C ATOM 92 CD2 TYR A 6 -0.929 -0.999 10.472 1.00 0.00 C ATOM 93 CE1 TYR A 6 -3.578 -0.339 9.893 1.00 0.00 C ATOM 94 CE2 TYR A 6 -1.975 -1.985 10.552 1.00 0.00 C ATOM 95 CZ TYR A 6 -3.248 -1.607 10.258 1.00 0.00 C ATOM 96 OH TYR A 6 -4.235 -2.539 10.333 1.00 0.00 O ATOM 0 H TYR A 6 0.879 3.459 9.513 1.00 0.00 H new ATOM 0 HA TYR A 6 0.975 0.876 8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.740 0.998 10.596 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.465 2.266 10.489 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.767 1.661 9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.090 -1.273 10.700 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.602 -0.078 9.668 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.754 -3.002 10.839 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.852 -3.399 10.604 1.00 0.00 H new ATOM 106 N LEU A 7 -1.547 2.927 7.788 1.00 0.00 N ATOM 107 CA LEU A 7 -2.735 3.182 6.992 1.00 0.00 C ATOM 108 C LEU A 7 -2.330 3.402 5.533 1.00 0.00 C ATOM 109 O LEU A 7 -3.026 2.964 4.618 1.00 0.00 O ATOM 110 CB LEU A 7 -3.542 4.338 7.587 1.00 0.00 C ATOM 111 CG LEU A 7 -4.515 3.969 8.709 1.00 0.00 C ATOM 112 CD1 LEU A 7 -4.430 4.974 9.860 1.00 0.00 C ATOM 113 CD2 LEU A 7 -5.941 3.830 8.173 1.00 0.00 C ATOM 0 H LEU A 7 -1.275 3.692 8.405 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.398 2.317 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.844 5.083 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.107 4.812 6.784 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.225 2.997 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.131 4.689 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.417 4.980 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.681 5.969 9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.613 3.567 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.258 4.775 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.970 3.048 7.414 1.00 0.00 H new ATOM 125 N THR A 8 -1.205 4.081 5.361 1.00 0.00 N ATOM 126 CA THR A 8 -0.698 4.364 4.029 1.00 0.00 C ATOM 127 C THR A 8 -0.450 3.063 3.264 1.00 0.00 C ATOM 128 O THR A 8 -0.436 3.054 2.034 1.00 0.00 O ATOM 129 CB THR A 8 0.554 5.232 4.174 1.00 0.00 C ATOM 130 OG1 THR A 8 1.256 4.647 5.268 1.00 0.00 O ATOM 131 CG2 THR A 8 0.232 6.649 4.653 1.00 0.00 C ATOM 0 H THR A 8 -0.630 4.443 6.122 1.00 0.00 H new ATOM 0 HA THR A 8 -1.428 4.917 3.438 1.00 0.00 H new ATOM 0 HB THR A 8 1.074 5.282 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.236 3.671 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.155 7.223 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.431 7.134 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.258 6.602 5.626 1.00 0.00 H new ATOM 139 N ARG A 9 -0.261 1.994 4.025 1.00 0.00 N ATOM 140 CA ARG A 9 -0.015 0.690 3.434 1.00 0.00 C ATOM 141 C ARG A 9 -1.312 0.110 2.867 1.00 0.00 C ATOM 142 O ARG A 9 -1.318 -0.458 1.776 1.00 0.00 O ATOM 143 CB ARG A 9 0.562 -0.282 4.466 1.00 0.00 C ATOM 144 CG ARG A 9 1.906 -0.844 3.998 1.00 0.00 C ATOM 145 CD ARG A 9 3.004 0.218 4.084 1.00 0.00 C ATOM 146 NE ARG A 9 4.232 -0.269 3.418 1.00 0.00 N ATOM 147 CZ ARG A 9 5.462 0.198 3.674 1.00 0.00 C ATOM 148 NH1 ARG A 9 5.634 1.167 4.583 1.00 0.00 N ATOM 149 NH2 ARG A 9 6.519 -0.303 3.021 1.00 0.00 N ATOM 0 H ARG A 9 -0.273 2.005 5.045 1.00 0.00 H new ATOM 0 HA ARG A 9 0.709 0.822 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.690 0.229 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.140 -1.099 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.178 -1.704 4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.818 -1.199 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.666 1.141 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.215 0.452 5.128 1.00 0.00 H new ATOM 0 HE ARG A 9 4.137 -1.007 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.829 1.549 5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.570 1.523 4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.388 -1.040 2.328 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.455 0.053 3.216 1.00 0.00 H new ATOM 163 N SER A 10 -2.381 0.273 3.633 1.00 0.00 N ATOM 164 CA SER A 10 -3.681 -0.227 3.221 1.00 0.00 C ATOM 165 C SER A 10 -4.040 0.325 1.839 1.00 0.00 C ATOM 166 O SER A 10 -4.871 -0.246 1.136 1.00 0.00 O ATOM 167 CB SER A 10 -4.762 0.145 4.238 1.00 0.00 C ATOM 168 OG SER A 10 -5.083 1.532 4.192 1.00 0.00 O ATOM 0 H SER A 10 -2.373 0.745 4.537 1.00 0.00 H new ATOM 0 HA SER A 10 -3.628 -1.314 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.660 -0.442 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.422 -0.115 5.240 1.00 0.00 H new ATOM 0 HG SER A 10 -4.425 2.038 4.713 1.00 0.00 H new ATOM 174 N ALA A 11 -3.394 1.429 1.493 1.00 0.00 N ATOM 175 CA ALA A 11 -3.635 2.064 0.208 1.00 0.00 C ATOM 176 C ALA A 11 -2.490 1.722 -0.747 1.00 0.00 C ATOM 177 O ALA A 11 -2.647 1.806 -1.965 1.00 0.00 O ATOM 178 CB ALA A 11 -3.797 3.573 0.407 1.00 0.00 C ATOM 0 H ALA A 11 -2.705 1.900 2.079 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.558 1.693 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.978 4.050 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.641 3.764 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.888 3.981 0.849 1.00 0.00 H new ATOM 184 N ILE A 12 -1.365 1.343 -0.160 1.00 0.00 N ATOM 185 CA ILE A 12 -0.194 0.988 -0.944 1.00 0.00 C ATOM 186 C ILE A 12 -0.356 -0.437 -1.477 1.00 0.00 C ATOM 187 O ILE A 12 0.096 -0.747 -2.579 1.00 0.00 O ATOM 188 CB ILE A 12 1.082 1.198 -0.127 1.00 0.00 C ATOM 189 CG1 ILE A 12 2.190 1.808 -0.988 1.00 0.00 C ATOM 190 CG2 ILE A 12 1.526 -0.105 0.540 1.00 0.00 C ATOM 191 CD1 ILE A 12 2.438 0.966 -2.240 1.00 0.00 C ATOM 0 H ILE A 12 -1.239 1.274 0.850 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.102 1.644 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 12 0.865 1.910 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.914 2.822 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.109 1.881 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.435 0.072 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.739 -0.459 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.720 -0.857 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.230 1.422 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.737 -0.041 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.524 0.916 -2.832 1.00 0.00 H new ATOM 203 N ARG A 13 -1.002 -1.266 -0.671 1.00 0.00 N ATOM 204 CA ARG A 13 -1.229 -2.651 -1.047 1.00 0.00 C ATOM 205 C ARG A 13 -2.225 -2.730 -2.206 1.00 0.00 C ATOM 206 O ARG A 13 -2.033 -3.503 -3.143 1.00 0.00 O ATOM 207 CB ARG A 13 -1.766 -3.462 0.134 1.00 0.00 C ATOM 208 CG ARG A 13 -1.780 -4.958 -0.190 1.00 0.00 C ATOM 209 CD ARG A 13 -0.683 -5.696 0.581 1.00 0.00 C ATOM 210 NE ARG A 13 -0.341 -6.959 -0.111 1.00 0.00 N ATOM 211 CZ ARG A 13 0.218 -7.021 -1.327 1.00 0.00 C ATOM 212 NH1 ARG A 13 0.503 -5.894 -1.993 1.00 0.00 N ATOM 213 NH2 ARG A 13 0.494 -8.212 -1.877 1.00 0.00 N ATOM 0 H ARG A 13 -1.376 -1.005 0.242 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.272 -3.071 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.148 -3.282 1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.775 -3.130 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.753 -5.379 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.638 -5.103 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.202 -5.065 0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.019 -5.907 1.596 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.543 -7.837 0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.294 -4.988 -1.574 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.929 -5.942 -2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.278 -9.070 -1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.920 -8.260 -2.803 1.00 0.00 H new ATOM 227 N ARG A 14 -3.268 -1.918 -2.104 1.00 0.00 N ATOM 228 CA ARG A 14 -4.294 -1.886 -3.132 1.00 0.00 C ATOM 229 C ARG A 14 -3.829 -1.042 -4.320 1.00 0.00 C ATOM 230 O ARG A 14 -4.323 -1.207 -5.435 1.00 0.00 O ATOM 231 CB ARG A 14 -5.602 -1.310 -2.586 1.00 0.00 C ATOM 232 CG ARG A 14 -5.396 0.109 -2.053 1.00 0.00 C ATOM 233 CD ARG A 14 -6.328 1.099 -2.753 1.00 0.00 C ATOM 234 NE ARG A 14 -5.858 2.484 -2.526 1.00 0.00 N ATOM 235 CZ ARG A 14 -6.175 3.217 -1.450 1.00 0.00 C ATOM 236 NH1 ARG A 14 -6.963 2.703 -0.496 1.00 0.00 N ATOM 237 NH2 ARG A 14 -5.703 4.466 -1.327 1.00 0.00 N ATOM 0 H ARG A 14 -3.424 -1.278 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.470 -2.911 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.356 -1.301 -3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.981 -1.950 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.580 0.128 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.360 0.411 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.360 0.888 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.344 0.984 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.256 2.907 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.322 1.753 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.204 3.262 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.103 4.858 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.944 5.024 -0.508 1.00 0.00 H new ATOM 251 N ALA A 15 -2.885 -0.155 -4.042 1.00 0.00 N ATOM 252 CA ALA A 15 -2.349 0.716 -5.073 1.00 0.00 C ATOM 253 C ALA A 15 -1.202 0.001 -5.792 1.00 0.00 C ATOM 254 O ALA A 15 -1.029 0.157 -7.000 1.00 0.00 O ATOM 255 CB ALA A 15 -1.908 2.040 -4.446 1.00 0.00 C ATOM 0 H ALA A 15 -2.478 -0.021 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.113 0.946 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.506 2.693 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.764 2.522 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.140 1.850 -3.697 1.00 0.00 H new ATOM 261 N SER A 16 -0.449 -0.766 -5.018 1.00 0.00 N ATOM 262 CA SER A 16 0.676 -1.505 -5.566 1.00 0.00 C ATOM 263 C SER A 16 0.173 -2.705 -6.370 1.00 0.00 C ATOM 264 O SER A 16 0.934 -3.323 -7.113 1.00 0.00 O ATOM 265 CB SER A 16 1.623 -1.968 -4.457 1.00 0.00 C ATOM 266 OG SER A 16 2.819 -2.539 -4.980 1.00 0.00 O ATOM 0 H SER A 16 -0.595 -0.892 -4.016 1.00 0.00 H new ATOM 0 HA SER A 16 1.232 -0.841 -6.228 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.875 -1.121 -3.818 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.116 -2.701 -3.830 1.00 0.00 H new ATOM 0 HG SER A 16 2.628 -2.968 -5.840 1.00 0.00 H new ATOM 272 N THR A 17 -1.107 -3.001 -6.193 1.00 0.00 N ATOM 273 CA THR A 17 -1.721 -4.116 -6.893 1.00 0.00 C ATOM 274 C THR A 17 -2.669 -3.607 -7.981 1.00 0.00 C ATOM 275 O THR A 17 -3.803 -4.071 -8.089 1.00 0.00 O ATOM 276 CB THR A 17 -2.409 -5.004 -5.855 1.00 0.00 C ATOM 277 OG1 THR A 17 -2.964 -6.069 -6.622 1.00 0.00 O ATOM 278 CG2 THR A 17 -3.627 -4.328 -5.220 1.00 0.00 C ATOM 0 H THR A 17 -1.735 -2.488 -5.575 1.00 0.00 H new ATOM 0 HA THR A 17 -0.974 -4.716 -7.412 1.00 0.00 H new ATOM 0 HB THR A 17 -1.695 -5.271 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.510 -5.700 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.078 -5.001 -4.491 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.315 -3.410 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.356 -4.091 -5.994 1.00 0.00 H new