USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 142 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 LEU N :NH3+ -168:sc= -0.055 (180deg=-0.303) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.528 -2.340 -0.712 1.00 0.00 N ATOM 2 CA LEU A 1 0.993 -1.076 -1.205 1.00 0.00 C ATOM 3 C LEU A 1 0.391 -1.245 -2.597 1.00 0.00 C ATOM 4 O LEU A 1 0.800 -0.578 -3.546 1.00 0.00 O ATOM 5 CB LEU A 1 2.093 -0.013 -1.239 1.00 0.00 C ATOM 6 CG LEU A 1 2.890 0.169 0.053 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.009 1.179 -0.148 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.975 0.602 1.189 1.00 0.00 C ATOM 0 H1 LEU A 1 1.745 -2.253 0.301 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.825 -3.093 -0.852 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.396 -2.576 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 1 0.205 -0.754 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.789 -0.264 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.639 0.943 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 1 3.337 -0.789 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.565 1.296 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.681 0.827 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.584 2.140 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.560 0.726 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.498 1.548 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.210 -0.158 1.350 1.00 0.00 H new ATOM 20 N GLY A 2 -0.585 -2.141 -2.709 1.00 0.00 N ATOM 21 CA GLY A 2 -1.229 -2.380 -3.987 1.00 0.00 C ATOM 22 C GLY A 2 -2.628 -2.945 -3.835 1.00 0.00 C ATOM 23 O GLY A 2 -3.195 -2.929 -2.743 1.00 0.00 O ATOM 0 H GLY A 2 -0.941 -2.705 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.277 -1.446 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.623 -3.072 -4.572 1.00 0.00 H new ATOM 27 N ARG A 3 -3.185 -3.444 -4.933 1.00 0.00 N ATOM 28 CA ARG A 3 -4.527 -4.014 -4.918 1.00 0.00 C ATOM 29 C ARG A 3 -4.494 -5.493 -5.289 1.00 0.00 C ATOM 30 O ARG A 3 -3.490 -5.995 -5.795 1.00 0.00 O ATOM 31 CB ARG A 3 -5.438 -3.255 -5.884 1.00 0.00 C ATOM 32 CG ARG A 3 -5.659 -1.801 -5.499 1.00 0.00 C ATOM 33 CD ARG A 3 -6.807 -1.654 -4.513 1.00 0.00 C ATOM 34 NE ARG A 3 -6.377 -1.878 -3.135 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.184 -1.765 -2.086 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.456 -1.434 -2.257 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.719 -1.984 -0.863 1.00 0.00 N ATOM 0 H ARG A 3 -2.728 -3.465 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.923 -3.920 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.007 -3.295 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.403 -3.760 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.747 -1.397 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.869 -1.215 -6.393 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.235 -0.656 -4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.596 -2.363 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.404 -2.135 -2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.817 -1.265 -3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.074 -1.348 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.741 -2.239 -0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.340 -1.897 -0.058 1.00 0.00 H new ATOM 51 N VAL A 4 -5.598 -6.187 -5.032 1.00 0.00 N ATOM 52 CA VAL A 4 -5.696 -7.609 -5.339 1.00 0.00 C ATOM 53 C VAL A 4 -6.679 -7.859 -6.477 1.00 0.00 C ATOM 54 O VAL A 4 -6.762 -8.967 -7.008 1.00 0.00 O ATOM 55 CB VAL A 4 -6.138 -8.421 -4.107 1.00 0.00 C ATOM 56 CG1 VAL A 4 -6.017 -9.913 -4.378 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.319 -8.024 -2.887 1.00 0.00 C ATOM 0 H VAL A 4 -6.437 -5.788 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.701 -7.936 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.185 -8.198 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.334 -10.470 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.650 -10.182 -5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.980 -10.158 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.644 -8.607 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.264 -8.217 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.462 -6.963 -2.682 1.00 0.00 H new ATOM 67 N ASP A 5 -7.422 -6.822 -6.848 1.00 0.00 N ATOM 68 CA ASP A 5 -8.399 -6.928 -7.926 1.00 0.00 C ATOM 69 C ASP A 5 -8.524 -5.607 -8.678 1.00 0.00 C ATOM 70 O ASP A 5 -8.637 -4.543 -8.068 1.00 0.00 O ATOM 71 CB ASP A 5 -9.762 -7.343 -7.368 1.00 0.00 C ATOM 72 CG ASP A 5 -9.655 -8.461 -6.350 1.00 0.00 C ATOM 73 OD1 ASP A 5 -9.328 -8.170 -5.180 1.00 0.00 O ATOM 74 OD2 ASP A 5 -9.899 -9.627 -6.723 1.00 0.00 O ATOM 0 H ASP A 5 -7.367 -5.899 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.053 -7.691 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.240 -6.479 -6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.405 -7.663 -8.188 1.00 0.00 H new ATOM 79 N ILE A 6 -8.502 -5.683 -10.004 1.00 0.00 N ATOM 80 CA ILE A 6 -8.613 -4.493 -10.839 1.00 0.00 C ATOM 81 C ILE A 6 -9.715 -4.653 -11.881 1.00 0.00 C ATOM 82 O ILE A 6 -9.897 -5.731 -12.447 1.00 0.00 O ATOM 83 CB ILE A 6 -7.286 -4.182 -11.556 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.156 -4.023 -10.536 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.423 -2.927 -12.403 1.00 0.00 C ATOM 86 CD1 ILE A 6 -5.471 -5.325 -10.184 1.00 0.00 C ATOM 0 H ILE A 6 -8.408 -6.556 -10.523 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.861 -3.665 -10.175 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.041 -5.015 -12.215 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.416 -3.328 -10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.559 -3.576 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.477 -2.721 -12.903 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.203 -3.075 -13.149 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.687 -2.084 -11.764 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.682 -5.136 -9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.199 -6.016 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.038 -5.763 -11.083 1.00 0.00 H new ATOM 98 N HIS A 7 -10.448 -3.573 -12.130 1.00 0.00 N ATOM 99 CA HIS A 7 -11.531 -3.592 -13.107 1.00 0.00 C ATOM 100 C HIS A 7 -11.109 -2.902 -14.400 1.00 0.00 C ATOM 101 O HIS A 7 -11.248 -3.461 -15.488 1.00 0.00 O ATOM 102 CB HIS A 7 -12.775 -2.912 -12.534 1.00 0.00 C ATOM 103 CG HIS A 7 -14.053 -3.370 -13.165 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.528 -4.660 -13.050 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.957 -2.703 -13.919 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.669 -4.766 -13.708 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.952 -3.592 -14.244 1.00 0.00 N ATOM 0 H HIS A 7 -10.312 -2.673 -11.669 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.766 -4.632 -13.332 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.821 -3.101 -11.462 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.682 -1.834 -12.664 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.906 -1.664 -14.211 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.268 -5.660 -13.793 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.775 -3.380 -14.807 1.00 0.00 H new ATOM 115 N VAL A 8 -10.595 -1.683 -14.274 1.00 0.00 N ATOM 116 CA VAL A 8 -10.152 -0.916 -15.433 1.00 0.00 C ATOM 117 C VAL A 8 -9.040 -1.643 -16.181 1.00 0.00 C ATOM 118 O VAL A 8 -8.219 -2.332 -15.576 1.00 0.00 O ATOM 119 CB VAL A 8 -9.651 0.482 -15.023 1.00 0.00 C ATOM 120 CG1 VAL A 8 -10.781 1.295 -14.410 1.00 0.00 C ATOM 121 CG2 VAL A 8 -8.482 0.366 -14.057 1.00 0.00 C ATOM 0 H VAL A 8 -10.475 -1.205 -13.381 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.016 -0.806 -16.089 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.304 1.002 -15.916 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.409 2.279 -14.126 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.585 1.407 -15.138 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.160 0.782 -13.526 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.141 1.363 -13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.800 -0.172 -13.164 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.667 -0.176 -14.536 1.00 0.00 H new ATOM 131 N TRP A 9 -9.020 -1.485 -17.499 1.00 0.00 N ATOM 132 CA TRP A 9 -8.008 -2.126 -18.331 1.00 0.00 C ATOM 133 C TRP A 9 -7.532 -1.185 -19.432 1.00 0.00 C ATOM 134 O TRP A 9 -8.314 -0.768 -20.286 1.00 0.00 O ATOM 135 CB TRP A 9 -8.564 -3.411 -18.946 1.00 0.00 C ATOM 136 CG TRP A 9 -8.421 -4.608 -18.055 1.00 0.00 C ATOM 137 CD1 TRP A 9 -9.429 -5.323 -17.475 1.00 0.00 C ATOM 138 CD2 TRP A 9 -7.198 -5.225 -17.640 1.00 0.00 C ATOM 139 NE1 TRP A 9 -8.907 -6.349 -16.725 1.00 0.00 N ATOM 140 CE2 TRP A 9 -7.540 -6.311 -16.811 1.00 0.00 C ATOM 141 CE3 TRP A 9 -5.847 -4.969 -17.890 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -6.580 -7.136 -16.231 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -4.896 -5.788 -17.314 1.00 0.00 C ATOM 144 CH2 TRP A 9 -5.265 -6.862 -16.493 1.00 0.00 C ATOM 0 H TRP A 9 -9.693 -0.918 -18.015 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.156 -2.373 -17.698 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.619 -3.266 -19.181 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.052 -3.605 -19.888 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.482 -5.113 -17.589 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.449 -7.028 -16.191 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -5.552 -4.145 -18.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -6.863 -7.963 -15.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.849 -5.597 -17.500 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.497 -7.485 -16.059 1.00 0.00 H new ATOM 155 N ASP A 10 -6.245 -0.855 -19.406 1.00 0.00 N ATOM 156 CA ASP A 10 -5.665 0.036 -20.403 1.00 0.00 C ATOM 157 C ASP A 10 -6.423 1.359 -20.457 1.00 0.00 C ATOM 158 O ASP A 10 -6.460 2.023 -21.492 1.00 0.00 O ATOM 159 CB ASP A 10 -5.675 -0.629 -21.780 1.00 0.00 C ATOM 160 CG ASP A 10 -4.672 -0.007 -22.732 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.213 1.122 -22.455 1.00 0.00 O ATOM 162 OD2 ASP A 10 -4.345 -0.648 -23.752 1.00 0.00 O ATOM 0 H ASP A 10 -5.584 -1.191 -18.705 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.634 0.241 -20.115 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.455 -1.691 -21.669 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.674 -0.553 -22.209 1.00 0.00 H new ATOM 167 N GLY A 11 -7.028 1.735 -19.334 1.00 0.00 N ATOM 168 CA GLY A 11 -7.778 2.976 -19.276 1.00 0.00 C ATOM 169 C GLY A 11 -9.276 2.752 -19.351 1.00 0.00 C ATOM 170 O GLY A 11 -10.036 3.318 -18.566 1.00 0.00 O ATOM 0 H GLY A 11 -7.012 1.203 -18.464 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.538 3.499 -18.350 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.469 3.623 -20.097 1.00 0.00 H new ATOM 174 N VAL A 12 -9.702 1.925 -20.301 1.00 0.00 N ATOM 175 CA VAL A 12 -11.118 1.627 -20.477 1.00 0.00 C ATOM 176 C VAL A 12 -11.535 0.423 -19.639 1.00 0.00 C ATOM 177 O VAL A 12 -10.792 -0.552 -19.522 1.00 0.00 O ATOM 178 CB VAL A 12 -11.455 1.353 -21.954 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.122 2.564 -22.812 1.00 0.00 C ATOM 180 CG2 VAL A 12 -10.714 0.120 -22.449 1.00 0.00 C ATOM 0 H VAL A 12 -9.086 1.450 -20.961 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.670 2.506 -20.144 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.525 1.164 -22.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.367 2.351 -23.853 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.701 3.422 -22.471 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.059 2.788 -22.728 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.964 -0.059 -23.495 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.640 0.279 -22.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.007 -0.744 -21.853 1.00 0.00 H new ATOM 190 N TYR A 13 -12.728 0.498 -19.059 1.00 0.00 N ATOM 191 CA TYR A 13 -13.243 -0.586 -18.231 1.00 0.00 C ATOM 192 C TYR A 13 -14.464 -1.233 -18.878 1.00 0.00 C ATOM 193 O TYR A 13 -15.328 -0.546 -19.424 1.00 0.00 O ATOM 194 CB TYR A 13 -13.607 -0.063 -16.840 1.00 0.00 C ATOM 195 CG TYR A 13 -14.885 0.744 -16.811 1.00 0.00 C ATOM 196 CD1 TYR A 13 -14.867 2.118 -17.015 1.00 0.00 C ATOM 197 CD2 TYR A 13 -16.111 0.132 -16.581 1.00 0.00 C ATOM 198 CE1 TYR A 13 -16.032 2.860 -16.988 1.00 0.00 C ATOM 199 CE2 TYR A 13 -17.282 0.865 -16.555 1.00 0.00 C ATOM 200 CZ TYR A 13 -17.237 2.229 -16.758 1.00 0.00 C ATOM 201 OH TYR A 13 -18.400 2.964 -16.733 1.00 0.00 O ATOM 0 H TYR A 13 -13.356 1.297 -19.147 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.462 -1.340 -18.137 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.705 -0.908 -16.158 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.789 0.554 -16.468 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.926 2.615 -17.198 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.149 -0.935 -16.420 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.000 3.928 -17.146 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.227 0.373 -16.377 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.159 2.369 -16.560 1.00 0.00 H new ATOM 211 N ILE A 14 -14.527 -2.558 -18.813 1.00 0.00 N ATOM 212 CA ILE A 14 -15.642 -3.299 -19.390 1.00 0.00 C ATOM 213 C ILE A 14 -16.197 -4.317 -18.400 1.00 0.00 C ATOM 214 O ILE A 14 -15.448 -4.929 -17.637 1.00 0.00 O ATOM 215 CB ILE A 14 -15.224 -4.029 -20.680 1.00 0.00 C ATOM 216 CG1 ILE A 14 -14.671 -3.032 -21.700 1.00 0.00 C ATOM 217 CG2 ILE A 14 -16.405 -4.792 -21.263 1.00 0.00 C ATOM 218 CD1 ILE A 14 -13.187 -2.777 -21.552 1.00 0.00 C ATOM 0 H ILE A 14 -13.819 -3.141 -18.367 1.00 0.00 H new ATOM 0 HA ILE A 14 -16.416 -2.570 -19.629 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.438 -4.744 -20.437 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -14.869 -3.405 -22.705 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -15.206 -2.087 -21.600 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -16.094 -5.303 -22.174 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -16.758 -5.526 -20.538 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -17.210 -4.095 -21.495 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -12.864 -2.061 -22.307 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.984 -2.374 -20.560 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.642 -3.712 -21.682 1.00 0.00 H new ATOM 230 N ARG A 15 -17.514 -4.495 -18.418 1.00 0.00 N ATOM 231 CA ARG A 15 -18.170 -5.440 -17.523 1.00 0.00 C ATOM 232 C ARG A 15 -18.043 -6.867 -18.049 1.00 0.00 C ATOM 233 O ARG A 15 -18.170 -7.110 -19.249 1.00 0.00 O ATOM 234 CB ARG A 15 -19.646 -5.077 -17.356 1.00 0.00 C ATOM 235 CG ARG A 15 -20.427 -6.071 -16.511 1.00 0.00 C ATOM 236 CD ARG A 15 -21.650 -5.426 -15.880 1.00 0.00 C ATOM 237 NE ARG A 15 -22.773 -5.352 -16.811 1.00 0.00 N ATOM 238 CZ ARG A 15 -23.570 -6.379 -17.083 1.00 0.00 C ATOM 239 NH1 ARG A 15 -23.369 -7.552 -16.497 1.00 0.00 N ATOM 240 NH2 ARG A 15 -24.571 -6.235 -17.942 1.00 0.00 N ATOM 0 H ARG A 15 -18.148 -3.997 -19.043 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.677 -5.384 -16.553 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.719 -4.090 -16.900 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -20.108 -5.009 -18.341 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.737 -6.912 -17.131 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.782 -6.472 -15.729 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.946 -5.996 -14.999 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.395 -4.422 -15.539 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.955 -4.463 -17.278 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.601 -7.667 -15.836 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.983 -8.339 -16.708 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -24.729 -5.335 -18.394 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -25.182 -7.025 -18.150 1.00 0.00 H new ATOM 254 N GLY A 16 -17.790 -7.807 -17.144 1.00 0.00 N ATOM 255 CA GLY A 16 -17.649 -9.197 -17.536 1.00 0.00 C ATOM 256 C GLY A 16 -16.550 -9.401 -18.561 1.00 0.00 C ATOM 257 O GLY A 16 -16.771 -10.021 -19.601 1.00 0.00 O ATOM 0 H GLY A 16 -17.680 -7.631 -16.145 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.436 -9.800 -16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.594 -9.554 -17.945 1.00 0.00 H new ATOM 261 N ARG A 17 -15.364 -8.878 -18.267 1.00 0.00 N ATOM 262 CA ARG A 17 -14.228 -9.004 -19.172 1.00 0.00 C ATOM 263 C ARG A 17 -13.507 -10.332 -18.958 1.00 0.00 C ATOM 264 O ARG A 17 -13.104 -10.657 -17.841 1.00 0.00 O ATOM 265 CB ARG A 17 -13.254 -7.843 -18.966 1.00 0.00 C ATOM 266 CG ARG A 17 -12.013 -7.927 -19.841 1.00 0.00 C ATOM 267 CD ARG A 17 -12.342 -7.658 -21.301 1.00 0.00 C ATOM 268 NE ARG A 17 -12.770 -8.868 -21.997 1.00 0.00 N ATOM 269 CZ ARG A 17 -13.094 -8.898 -23.285 1.00 0.00 C ATOM 270 NH1 ARG A 17 -13.038 -7.791 -24.013 1.00 0.00 N ATOM 271 NH2 ARG A 17 -13.475 -10.038 -23.848 1.00 0.00 N ATOM 0 H ARG A 17 -15.165 -8.363 -17.409 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.605 -8.976 -20.194 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.771 -6.905 -19.172 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.950 -7.816 -17.920 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.273 -7.206 -19.495 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.564 -8.916 -19.744 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.129 -6.907 -21.363 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.466 -7.244 -21.800 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.823 -9.737 -21.466 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.745 -6.913 -23.584 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.287 -7.818 -25.002 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.519 -10.892 -23.292 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.724 -10.060 -24.837 1.00 0.00 H new TER 285 ARG A 17