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+ -121:sc= -0.46 (180deg=-2.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.659 -2.423 -1.086 1.00 0.00 N ATOM 2 CA LEU A 1 -1.250 -1.325 -1.955 1.00 0.00 C ATOM 3 C LEU A 1 -2.157 -1.232 -3.178 1.00 0.00 C ATOM 4 O LEU A 1 -1.722 -1.465 -4.305 1.00 0.00 O ATOM 5 CB LEU A 1 0.203 -1.510 -2.396 1.00 0.00 C ATOM 6 CG LEU A 1 1.268 -0.962 -1.446 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.222 -1.692 -0.113 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.650 -1.076 -2.072 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.891 -2.051 -0.143 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.495 -2.892 -1.489 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.882 -3.110 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.336 -0.397 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.386 -2.575 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.331 -1.032 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 1 1.059 0.092 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.987 -1.288 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.241 -1.558 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.405 -2.754 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.396 -0.681 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.869 -2.123 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.677 -0.506 -3.001 1.00 0.00 H new ATOM 20 N GLY A 2 -3.420 -0.887 -2.947 1.00 0.00 N ATOM 21 CA GLY A 2 -4.368 -0.767 -4.039 1.00 0.00 C ATOM 22 C GLY A 2 -5.263 -1.983 -4.167 1.00 0.00 C ATOM 23 O GLY A 2 -5.317 -2.820 -3.265 1.00 0.00 O ATOM 0 H GLY A 2 -3.804 -0.688 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.984 0.119 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.825 -0.620 -4.973 1.00 0.00 H new ATOM 27 N ARG A 3 -5.970 -2.081 -5.288 1.00 0.00 N ATOM 28 CA ARG A 3 -6.870 -3.203 -5.528 1.00 0.00 C ATOM 29 C ARG A 3 -6.108 -4.525 -5.509 1.00 0.00 C ATOM 30 O ARG A 3 -4.936 -4.584 -5.880 1.00 0.00 O ATOM 31 CB ARG A 3 -7.584 -3.033 -6.871 1.00 0.00 C ATOM 32 CG ARG A 3 -8.354 -1.728 -6.990 1.00 0.00 C ATOM 33 CD ARG A 3 -9.719 -1.824 -6.325 1.00 0.00 C ATOM 34 NE ARG A 3 -10.576 -2.812 -6.976 1.00 0.00 N ATOM 35 CZ ARG A 3 -11.821 -3.071 -6.591 1.00 0.00 C ATOM 36 NH1 ARG A 3 -12.351 -2.419 -5.566 1.00 0.00 N ATOM 37 NH2 ARG A 3 -12.538 -3.984 -7.234 1.00 0.00 N ATOM 0 H ARG A 3 -5.937 -1.397 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.611 -3.219 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.848 -3.085 -7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.272 -3.866 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.780 -0.923 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.478 -1.472 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.593 -2.089 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.205 -0.849 -6.352 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.198 -3.331 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.803 -1.716 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.307 -2.620 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.133 -4.487 -8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -13.494 -4.183 -6.938 1.00 0.00 H new ATOM 51 N VAL A 4 -6.783 -5.584 -5.073 1.00 0.00 N ATOM 52 CA VAL A 4 -6.170 -6.906 -5.005 1.00 0.00 C ATOM 53 C VAL A 4 -5.548 -7.292 -6.342 1.00 0.00 C ATOM 54 O VAL A 4 -4.381 -7.679 -6.407 1.00 0.00 O ATOM 55 CB VAL A 4 -7.197 -7.980 -4.600 1.00 0.00 C ATOM 56 CG1 VAL A 4 -6.520 -9.333 -4.444 1.00 0.00 C ATOM 57 CG2 VAL A 4 -7.907 -7.579 -3.316 1.00 0.00 C ATOM 0 H VAL A 4 -7.754 -5.553 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.390 -6.855 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.943 -8.063 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.261 -10.080 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.061 -9.621 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.752 -9.269 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.629 -8.349 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.176 -7.468 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.426 -6.632 -3.467 1.00 0.00 H new ATOM 67 N ASP A 5 -6.335 -7.185 -7.407 1.00 0.00 N ATOM 68 CA ASP A 5 -5.861 -7.522 -8.745 1.00 0.00 C ATOM 69 C ASP A 5 -6.122 -6.377 -9.718 1.00 0.00 C ATOM 70 O ASP A 5 -6.854 -5.437 -9.405 1.00 0.00 O ATOM 71 CB ASP A 5 -6.541 -8.797 -9.244 1.00 0.00 C ATOM 72 CG ASP A 5 -5.671 -9.578 -10.209 1.00 0.00 C ATOM 73 OD1 ASP A 5 -4.702 -10.217 -9.749 1.00 0.00 O ATOM 74 OD2 ASP A 5 -5.958 -9.549 -11.424 1.00 0.00 O ATOM 0 H ASP A 5 -7.304 -6.868 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.786 -7.691 -8.691 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.791 -9.429 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.479 -8.537 -9.734 1.00 0.00 H new ATOM 79 N ILE A 6 -5.520 -6.462 -10.900 1.00 0.00 N ATOM 80 CA ILE A 6 -5.688 -5.433 -11.918 1.00 0.00 C ATOM 81 C ILE A 6 -6.448 -5.973 -13.125 1.00 0.00 C ATOM 82 O ILE A 6 -5.969 -6.865 -13.826 1.00 0.00 O ATOM 83 CB ILE A 6 -4.330 -4.878 -12.388 1.00 0.00 C ATOM 84 CG1 ILE A 6 -3.505 -4.406 -11.189 1.00 0.00 C ATOM 85 CG2 ILE A 6 -4.536 -3.740 -13.377 1.00 0.00 C ATOM 86 CD1 ILE A 6 -2.638 -5.490 -10.588 1.00 0.00 C ATOM 0 H ILE A 6 -4.912 -7.233 -11.176 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.262 -4.627 -11.460 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.783 -5.675 -12.891 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.871 -3.575 -11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.179 -4.024 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.567 -3.359 -13.700 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.089 -4.106 -14.242 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.100 -2.939 -12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.082 -5.084 -9.743 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.267 -6.312 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.939 -5.856 -11.340 1.00 0.00 H new ATOM 98 N HIS A 7 -7.636 -5.425 -13.363 1.00 0.00 N ATOM 99 CA HIS A 7 -8.463 -5.851 -14.487 1.00 0.00 C ATOM 100 C HIS A 7 -8.666 -4.706 -15.475 1.00 0.00 C ATOM 101 O HIS A 7 -9.176 -4.907 -16.577 1.00 0.00 O ATOM 102 CB HIS A 7 -9.817 -6.357 -13.988 1.00 0.00 C ATOM 103 CG HIS A 7 -10.163 -7.727 -14.483 1.00 0.00 C ATOM 104 ND1 HIS A 7 -9.520 -8.868 -14.051 1.00 0.00 N ATOM 105 CD2 HIS A 7 -11.092 -8.137 -15.378 1.00 0.00 C ATOM 106 CE1 HIS A 7 -10.038 -9.920 -14.660 1.00 0.00 C ATOM 107 NE2 HIS A 7 -10.994 -9.504 -15.470 1.00 0.00 N ATOM 0 H HIS A 7 -8.047 -4.686 -12.793 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.947 -6.663 -15.000 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.814 -6.363 -12.898 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.594 -5.660 -14.301 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.782 -7.507 -15.919 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.731 -10.946 -14.519 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.567 -10.101 -16.067 1.00 0.00 H new ATOM 115 N VAL A 8 -8.265 -3.504 -15.072 1.00 0.00 N ATOM 116 CA VAL A 8 -8.403 -2.328 -15.922 1.00 0.00 C ATOM 117 C VAL A 8 -7.580 -2.472 -17.198 1.00 0.00 C ATOM 118 O VAL A 8 -6.672 -3.299 -17.272 1.00 0.00 O ATOM 119 CB VAL A 8 -7.966 -1.048 -15.184 1.00 0.00 C ATOM 120 CG1 VAL A 8 -8.886 -0.771 -14.005 1.00 0.00 C ATOM 121 CG2 VAL A 8 -6.520 -1.165 -14.727 1.00 0.00 C ATOM 0 H VAL A 8 -7.842 -3.320 -14.162 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.459 -2.247 -16.181 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.038 -0.208 -15.875 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.562 0.137 -13.496 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.907 -0.641 -14.363 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.849 -1.610 -13.310 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.228 -0.252 -14.208 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.419 -2.015 -14.052 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.875 -1.312 -15.594 1.00 0.00 H new ATOM 131 N TRP A 9 -7.905 -1.661 -18.198 1.00 0.00 N ATOM 132 CA TRP A 9 -7.195 -1.698 -19.472 1.00 0.00 C ATOM 133 C TRP A 9 -7.236 -0.337 -20.158 1.00 0.00 C ATOM 134 O TRP A 9 -8.308 0.167 -20.495 1.00 0.00 O ATOM 135 CB TRP A 9 -7.803 -2.762 -20.387 1.00 0.00 C ATOM 136 CG TRP A 9 -7.278 -4.141 -20.125 1.00 0.00 C ATOM 137 CD1 TRP A 9 -8.011 -5.255 -19.829 1.00 0.00 C ATOM 138 CD2 TRP A 9 -5.906 -4.552 -20.133 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.178 -6.333 -19.653 1.00 0.00 N ATOM 140 CE2 TRP A 9 -5.882 -5.928 -19.835 1.00 0.00 C ATOM 141 CE3 TRP A 9 -4.697 -3.892 -20.365 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -4.695 -6.653 -19.762 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -3.520 -4.612 -20.292 1.00 0.00 C ATOM 144 CH2 TRP A 9 -3.526 -5.981 -19.993 1.00 0.00 C ATOM 0 H TRP A 9 -8.654 -0.971 -18.152 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.154 -1.952 -19.272 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.886 -2.763 -20.261 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -7.603 -2.496 -21.425 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.087 -5.284 -19.746 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -7.476 -7.281 -19.424 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -4.682 -2.837 -20.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.697 -7.708 -19.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.580 -4.111 -20.468 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.589 -6.516 -19.944 1.00 0.00 H new ATOM 155 N ASP A 10 -6.064 0.254 -20.361 1.00 0.00 N ATOM 156 CA ASP A 10 -5.966 1.557 -21.008 1.00 0.00 C ATOM 157 C ASP A 10 -6.837 2.586 -20.293 1.00 0.00 C ATOM 158 O ASP A 10 -7.325 3.534 -20.905 1.00 0.00 O ATOM 159 CB ASP A 10 -6.381 1.454 -22.477 1.00 0.00 C ATOM 160 CG ASP A 10 -5.881 0.180 -23.131 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.753 -0.249 -22.808 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.617 -0.387 -23.965 1.00 0.00 O ATOM 0 H ASP A 10 -5.168 -0.149 -20.087 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.928 1.884 -20.953 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.468 1.493 -22.548 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.994 2.315 -23.022 1.00 0.00 H new ATOM 167 N GLY A 11 -7.028 2.389 -18.991 1.00 0.00 N ATOM 168 CA GLY A 11 -7.841 3.307 -18.214 1.00 0.00 C ATOM 169 C GLY A 11 -9.212 2.742 -17.899 1.00 0.00 C ATOM 170 O GLY A 11 -9.629 2.715 -16.742 1.00 0.00 O ATOM 0 H GLY A 11 -6.635 1.611 -18.461 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.326 3.544 -17.283 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.954 4.242 -18.763 1.00 0.00 H new ATOM 174 N VAL A 12 -9.916 2.291 -18.933 1.00 0.00 N ATOM 175 CA VAL A 12 -11.249 1.725 -18.761 1.00 0.00 C ATOM 176 C VAL A 12 -11.176 0.238 -18.430 1.00 0.00 C ATOM 177 O VAL A 12 -10.306 -0.477 -18.927 1.00 0.00 O ATOM 178 CB VAL A 12 -12.108 1.917 -20.025 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.268 3.396 -20.342 1.00 0.00 C ATOM 180 CG2 VAL A 12 -11.495 1.174 -21.202 1.00 0.00 C ATOM 0 H VAL A 12 -9.586 2.307 -19.898 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.714 2.257 -17.931 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.098 1.501 -19.838 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.878 3.512 -21.238 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.754 3.897 -19.505 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.287 3.840 -20.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.114 1.320 -22.087 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.493 1.558 -21.393 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.438 0.110 -20.971 1.00 0.00 H new ATOM 190 N TYR A 13 -12.096 -0.220 -17.589 1.00 0.00 N ATOM 191 CA TYR A 13 -12.135 -1.622 -17.190 1.00 0.00 C ATOM 192 C TYR A 13 -13.396 -2.302 -17.713 1.00 0.00 C ATOM 193 O TYR A 13 -14.478 -1.714 -17.712 1.00 0.00 O ATOM 194 CB TYR A 13 -12.072 -1.742 -15.666 1.00 0.00 C ATOM 195 CG TYR A 13 -13.365 -1.373 -14.975 1.00 0.00 C ATOM 196 CD1 TYR A 13 -13.674 -0.046 -14.702 1.00 0.00 C ATOM 197 CD2 TYR A 13 -14.276 -2.350 -14.595 1.00 0.00 C ATOM 198 CE1 TYR A 13 -14.854 0.297 -14.070 1.00 0.00 C ATOM 199 CE2 TYR A 13 -15.459 -2.016 -13.964 1.00 0.00 C ATOM 200 CZ TYR A 13 -15.744 -0.692 -13.704 1.00 0.00 C ATOM 201 OH TYR A 13 -16.920 -0.356 -13.074 1.00 0.00 O ATOM 0 H TYR A 13 -12.824 0.358 -17.170 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.268 -2.121 -17.623 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.808 -2.766 -15.401 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -11.274 -1.100 -15.292 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.980 0.730 -14.989 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.056 -3.388 -14.796 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.078 1.333 -13.864 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.157 -2.788 -13.676 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.434 -1.169 -12.885 1.00 0.00 H new ATOM 211 N ILE A 14 -13.249 -3.546 -18.157 1.00 0.00 N ATOM 212 CA ILE A 14 -14.376 -4.308 -18.681 1.00 0.00 C ATOM 213 C ILE A 14 -15.340 -4.700 -17.567 1.00 0.00 C ATOM 214 O ILE A 14 -14.998 -5.487 -16.684 1.00 0.00 O ATOM 215 CB ILE A 14 -13.905 -5.581 -19.409 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.789 -5.244 -20.400 1.00 0.00 C ATOM 217 CG2 ILE A 14 -15.073 -6.245 -20.123 1.00 0.00 C ATOM 218 CD1 ILE A 14 -13.195 -4.229 -21.445 1.00 0.00 C ATOM 0 H ILE A 14 -12.361 -4.047 -18.164 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.890 -3.662 -19.392 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.511 -6.280 -18.671 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.929 -4.863 -19.850 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.469 -6.159 -20.899 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.725 -7.143 -20.633 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.838 -6.515 -19.395 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -15.494 -5.554 -20.853 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -12.355 -4.038 -22.113 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -14.036 -4.616 -22.021 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -13.487 -3.300 -20.956 1.00 0.00 H new ATOM 230 N ARG A 15 -16.548 -4.147 -17.615 1.00 0.00 N ATOM 231 CA ARG A 15 -17.562 -4.440 -16.610 1.00 0.00 C ATOM 232 C ARG A 15 -18.433 -5.616 -17.042 1.00 0.00 C ATOM 233 O ARG A 15 -19.005 -5.611 -18.131 1.00 0.00 O ATOM 234 CB ARG A 15 -18.436 -3.208 -16.363 1.00 0.00 C ATOM 235 CG ARG A 15 -19.525 -3.432 -15.326 1.00 0.00 C ATOM 236 CD ARG A 15 -20.038 -2.115 -14.764 1.00 0.00 C ATOM 237 NE ARG A 15 -21.145 -1.578 -15.551 1.00 0.00 N ATOM 238 CZ ARG A 15 -21.885 -0.544 -15.169 1.00 0.00 C ATOM 239 NH1 ARG A 15 -21.637 0.062 -14.016 1.00 0.00 N ATOM 240 NH2 ARG A 15 -22.875 -0.114 -15.940 1.00 0.00 N ATOM 0 H ARG A 15 -16.848 -3.494 -18.339 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.053 -4.708 -15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.802 -2.382 -16.039 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.898 -2.906 -17.303 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.351 -3.983 -15.777 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.136 -4.048 -14.515 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.363 -2.263 -13.734 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.225 -1.390 -14.740 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.362 -2.022 -16.443 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.876 -0.266 -13.421 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.207 0.856 -13.724 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.069 -0.578 -16.828 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -23.443 0.680 -15.645 1.00 0.00 H new ATOM 254 N GLY A 16 -18.527 -6.624 -16.180 1.00 0.00 N ATOM 255 CA GLY A 16 -19.328 -7.794 -16.491 1.00 0.00 C ATOM 256 C GLY A 16 -18.896 -8.467 -17.779 1.00 0.00 C ATOM 257 O GLY A 16 -19.695 -8.626 -18.702 1.00 0.00 O ATOM 0 H GLY A 16 -18.063 -6.651 -15.272 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.257 -8.508 -15.670 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.375 -7.503 -16.570 1.00 0.00 H new ATOM 261 N ARG A 17 -17.629 -8.861 -17.842 1.00 0.00 N ATOM 262 CA ARG A 17 -17.091 -9.518 -19.028 1.00 0.00 C ATOM 263 C ARG A 17 -17.919 -10.747 -19.390 1.00 0.00 C ATOM 264 O ARG A 17 -18.772 -11.184 -18.617 1.00 0.00 O ATOM 265 CB ARG A 17 -15.634 -9.921 -18.797 1.00 0.00 C ATOM 266 CG ARG A 17 -14.882 -10.247 -20.077 1.00 0.00 C ATOM 267 CD ARG A 17 -15.144 -11.676 -20.528 1.00 0.00 C ATOM 268 NE ARG A 17 -14.178 -12.119 -21.530 1.00 0.00 N ATOM 269 CZ ARG A 17 -14.226 -11.758 -22.807 1.00 0.00 C ATOM 270 NH1 ARG A 17 -15.188 -10.953 -23.237 1.00 0.00 N ATOM 271 NH2 ARG A 17 -13.311 -12.203 -23.659 1.00 0.00 N ATOM 0 H ARG A 17 -16.955 -8.737 -17.086 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.138 -8.812 -19.857 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.120 -9.111 -18.280 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.606 -10.789 -18.138 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.183 -9.555 -20.864 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.813 -10.104 -19.919 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.103 -12.342 -19.666 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.151 -11.748 -20.939 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.425 -12.740 -21.233 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.894 -10.609 -22.586 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.222 -10.678 -24.219 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.570 -12.823 -23.333 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.349 -11.925 -24.640 1.00 0.00 H new TER 285 ARG A 17