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+ 149:sc= 0.0122 (180deg=0) 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 2.645 -4.652 -2.589 1.00 0.00 N ATOM 2 CA LEU A 1 2.714 -3.564 -3.559 1.00 0.00 C ATOM 3 C LEU A 1 1.387 -3.404 -4.292 1.00 0.00 C ATOM 4 O LEU A 1 0.734 -4.388 -4.638 1.00 0.00 O ATOM 5 CB LEU A 1 3.838 -3.822 -4.564 1.00 0.00 C ATOM 6 CG LEU A 1 5.213 -3.266 -4.191 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.316 -4.112 -4.808 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.340 -1.816 -4.634 1.00 0.00 C ATOM 0 H1 LEU A 1 3.583 -5.091 -2.492 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.342 -4.277 -1.668 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.961 -5.365 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 1 2.923 -2.640 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.930 -4.899 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.545 -3.397 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 1 5.317 -3.304 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.287 -3.701 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.237 -5.136 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.215 -4.106 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.325 -1.437 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.215 -1.753 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.572 -1.217 -4.144 1.00 0.00 H new ATOM 20 N GLY A 2 0.994 -2.156 -4.530 1.00 0.00 N ATOM 21 CA GLY A 2 -0.252 -1.889 -5.223 1.00 0.00 C ATOM 22 C GLY A 2 -1.455 -2.449 -4.490 1.00 0.00 C ATOM 23 O GLY A 2 -1.368 -2.788 -3.310 1.00 0.00 O ATOM 0 H GLY A 2 1.517 -1.325 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.373 -0.813 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.207 -2.320 -6.223 1.00 0.00 H new ATOM 27 N ARG A 3 -2.581 -2.544 -5.189 1.00 0.00 N ATOM 28 CA ARG A 3 -3.807 -3.063 -4.596 1.00 0.00 C ATOM 29 C ARG A 3 -4.191 -4.400 -5.224 1.00 0.00 C ATOM 30 O ARG A 3 -3.786 -4.711 -6.344 1.00 0.00 O ATOM 31 CB ARG A 3 -4.949 -2.060 -4.771 1.00 0.00 C ATOM 32 CG ARG A 3 -4.608 -0.660 -4.286 1.00 0.00 C ATOM 33 CD ARG A 3 -4.617 -0.579 -2.767 1.00 0.00 C ATOM 34 NE ARG A 3 -3.351 -1.022 -2.188 1.00 0.00 N ATOM 35 CZ ARG A 3 -3.215 -1.403 -0.923 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.262 -1.396 -0.109 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.031 -1.793 -0.470 1.00 0.00 N ATOM 0 H ARG A 3 -2.670 -2.268 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.628 -3.218 -3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.223 -2.014 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.824 -2.420 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.626 -0.373 -4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.325 0.052 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.817 0.448 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.429 -1.192 -2.376 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.526 -1.040 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.174 -1.098 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.155 -1.689 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.224 -1.801 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.928 -2.085 0.502 1.00 0.00 H new ATOM 51 N VAL A 4 -4.974 -5.188 -4.494 1.00 0.00 N ATOM 52 CA VAL A 4 -5.413 -6.491 -4.978 1.00 0.00 C ATOM 53 C VAL A 4 -6.207 -6.357 -6.273 1.00 0.00 C ATOM 54 O VAL A 4 -5.847 -6.939 -7.297 1.00 0.00 O ATOM 55 CB VAL A 4 -6.279 -7.217 -3.931 1.00 0.00 C ATOM 56 CG1 VAL A 4 -6.643 -8.613 -4.414 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.557 -7.278 -2.594 1.00 0.00 C ATOM 0 H VAL A 4 -5.317 -4.946 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.514 -7.078 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.202 -6.654 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.255 -9.110 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.203 -8.541 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.733 -9.189 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.183 -7.794 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.617 -7.818 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.353 -6.266 -2.244 1.00 0.00 H new ATOM 67 N ASP A 5 -7.287 -5.586 -6.221 1.00 0.00 N ATOM 68 CA ASP A 5 -8.132 -5.374 -7.391 1.00 0.00 C ATOM 69 C ASP A 5 -8.392 -3.886 -7.610 1.00 0.00 C ATOM 70 O ASP A 5 -8.219 -3.075 -6.700 1.00 0.00 O ATOM 71 CB ASP A 5 -9.458 -6.118 -7.230 1.00 0.00 C ATOM 72 CG ASP A 5 -9.339 -7.592 -7.566 1.00 0.00 C ATOM 73 OD1 ASP A 5 -9.154 -7.915 -8.757 1.00 0.00 O ATOM 74 OD2 ASP A 5 -9.433 -8.421 -6.637 1.00 0.00 O ATOM 0 H ASP A 5 -7.598 -5.097 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.609 -5.766 -8.263 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.810 -6.009 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.209 -5.661 -7.875 1.00 0.00 H new ATOM 79 N ILE A 6 -8.807 -3.536 -8.823 1.00 0.00 N ATOM 80 CA ILE A 6 -9.091 -2.147 -9.161 1.00 0.00 C ATOM 81 C ILE A 6 -10.394 -2.028 -9.945 1.00 0.00 C ATOM 82 O ILE A 6 -10.759 -2.926 -10.703 1.00 0.00 O ATOM 83 CB ILE A 6 -7.950 -1.524 -9.985 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.606 -1.749 -9.288 1.00 0.00 C ATOM 85 CG2 ILE A 6 -8.200 -0.038 -10.198 1.00 0.00 C ATOM 86 CD1 ILE A 6 -5.925 -3.038 -9.691 1.00 0.00 C ATOM 0 H ILE A 6 -8.954 -4.195 -9.588 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.185 -1.606 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.918 -2.011 -10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.945 -0.912 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.761 -1.751 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.384 0.388 -10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.140 0.100 -10.732 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.255 0.464 -9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.979 -3.131 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.567 -3.882 -9.441 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.738 -3.030 -10.765 1.00 0.00 H new ATOM 98 N HIS A 7 -11.090 -0.911 -9.758 1.00 0.00 N ATOM 99 CA HIS A 7 -12.352 -0.672 -10.451 1.00 0.00 C ATOM 100 C HIS A 7 -12.179 -0.814 -11.960 1.00 0.00 C ATOM 101 O HIS A 7 -12.926 -1.542 -12.615 1.00 0.00 O ATOM 102 CB HIS A 7 -12.885 0.722 -10.116 1.00 0.00 C ATOM 103 CG HIS A 7 -14.380 0.814 -10.148 1.00 0.00 C ATOM 104 ND1 HIS A 7 -15.116 1.441 -9.164 1.00 0.00 N ATOM 105 CD2 HIS A 7 -15.276 0.356 -11.053 1.00 0.00 C ATOM 106 CE1 HIS A 7 -16.401 1.363 -9.462 1.00 0.00 C ATOM 107 NE2 HIS A 7 -16.525 0.710 -10.604 1.00 0.00 N ATOM 0 H HIS A 7 -10.802 -0.158 -9.133 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.071 -1.419 -10.114 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.532 1.009 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.469 1.441 -10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.051 -0.187 -11.959 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.212 1.765 -8.872 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.405 0.502 -11.076 1.00 0.00 H new ATOM 115 N VAL A 8 -11.189 -0.114 -12.506 1.00 0.00 N ATOM 116 CA VAL A 8 -10.918 -0.163 -13.938 1.00 0.00 C ATOM 117 C VAL A 8 -9.583 -0.842 -14.221 1.00 0.00 C ATOM 118 O VAL A 8 -8.720 -0.925 -13.348 1.00 0.00 O ATOM 119 CB VAL A 8 -10.905 1.248 -14.555 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.269 1.906 -14.412 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.822 2.101 -13.911 1.00 0.00 C ATOM 0 H VAL A 8 -10.562 0.493 -11.978 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.721 -0.743 -14.393 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.681 1.159 -15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.241 2.902 -14.854 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.019 1.303 -14.924 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.526 1.985 -13.356 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.827 3.095 -14.359 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.013 2.184 -12.841 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.849 1.636 -14.071 1.00 0.00 H new ATOM 131 N TRP A 9 -9.421 -1.326 -15.447 1.00 0.00 N ATOM 132 CA TRP A 9 -8.190 -1.998 -15.847 1.00 0.00 C ATOM 133 C TRP A 9 -7.839 -1.678 -17.295 1.00 0.00 C ATOM 134 O TRP A 9 -8.654 -1.871 -18.198 1.00 0.00 O ATOM 135 CB TRP A 9 -8.328 -3.511 -15.665 1.00 0.00 C ATOM 136 CG TRP A 9 -7.049 -4.257 -15.898 1.00 0.00 C ATOM 137 CD1 TRP A 9 -6.765 -5.092 -16.940 1.00 0.00 C ATOM 138 CD2 TRP A 9 -5.882 -4.236 -15.068 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.492 -5.592 -16.809 1.00 0.00 N ATOM 140 CE2 TRP A 9 -4.929 -5.081 -15.670 1.00 0.00 C ATOM 141 CE3 TRP A 9 -5.549 -3.584 -13.878 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -3.668 -5.291 -15.118 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -4.297 -3.794 -13.332 1.00 0.00 C ATOM 144 CH2 TRP A 9 -3.368 -4.640 -13.952 1.00 0.00 C ATOM 0 H TRP A 9 -10.126 -1.266 -16.181 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.384 -1.634 -15.209 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.682 -3.717 -14.655 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.088 -3.884 -16.351 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.442 -5.325 -17.749 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -5.040 -6.239 -17.455 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.257 -2.928 -13.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.952 -5.945 -15.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.030 -3.297 -12.411 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.397 -4.781 -13.501 1.00 0.00 H new ATOM 155 N ASP A 10 -6.624 -1.187 -17.511 1.00 0.00 N ATOM 156 CA ASP A 10 -6.166 -0.840 -18.852 1.00 0.00 C ATOM 157 C ASP A 10 -7.090 0.190 -19.493 1.00 0.00 C ATOM 158 O ASP A 10 -7.365 0.132 -20.690 1.00 0.00 O ATOM 159 CB ASP A 10 -6.092 -2.092 -19.727 1.00 0.00 C ATOM 160 CG ASP A 10 -4.934 -2.995 -19.350 1.00 0.00 C ATOM 161 OD1 ASP A 10 -3.854 -2.467 -19.011 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.108 -4.231 -19.391 1.00 0.00 O ATOM 0 H ASP A 10 -5.938 -1.020 -16.775 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.170 -0.405 -18.768 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.026 -2.648 -19.640 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.993 -1.796 -20.771 1.00 0.00 H new ATOM 167 N GLY A 11 -7.568 1.132 -18.685 1.00 0.00 N ATOM 168 CA GLY A 11 -8.458 2.161 -19.191 1.00 0.00 C ATOM 169 C GLY A 11 -9.915 1.863 -18.899 1.00 0.00 C ATOM 170 O GLY A 11 -10.654 2.732 -18.435 1.00 0.00 O ATOM 0 H GLY A 11 -7.355 1.201 -17.690 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.190 3.119 -18.746 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.319 2.260 -20.268 1.00 0.00 H new ATOM 174 N VAL A 12 -10.332 0.630 -19.172 1.00 0.00 N ATOM 175 CA VAL A 12 -11.710 0.219 -18.936 1.00 0.00 C ATOM 176 C VAL A 12 -11.784 -1.248 -18.529 1.00 0.00 C ATOM 177 O VAL A 12 -11.134 -2.103 -19.129 1.00 0.00 O ATOM 178 CB VAL A 12 -12.583 0.438 -20.186 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.630 1.914 -20.553 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.064 -0.393 -21.350 1.00 0.00 C ATOM 0 H VAL A 12 -9.734 -0.101 -19.557 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.090 0.838 -18.123 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.598 0.112 -19.961 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.251 2.049 -21.438 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.052 2.482 -19.724 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.621 2.270 -20.760 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.692 -0.226 -22.225 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.039 -0.100 -21.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.088 -1.449 -21.082 1.00 0.00 H new ATOM 190 N TYR A 13 -12.581 -1.532 -17.505 1.00 0.00 N ATOM 191 CA TYR A 13 -12.740 -2.896 -17.015 1.00 0.00 C ATOM 192 C TYR A 13 -13.294 -3.806 -18.107 1.00 0.00 C ATOM 193 O TYR A 13 -14.367 -3.553 -18.655 1.00 0.00 O ATOM 194 CB TYR A 13 -13.665 -2.920 -15.797 1.00 0.00 C ATOM 195 CG TYR A 13 -13.404 -4.077 -14.860 1.00 0.00 C ATOM 196 CD1 TYR A 13 -12.128 -4.324 -14.369 1.00 0.00 C ATOM 197 CD2 TYR A 13 -14.433 -4.924 -14.467 1.00 0.00 C ATOM 198 CE1 TYR A 13 -11.884 -5.381 -13.513 1.00 0.00 C ATOM 199 CE2 TYR A 13 -14.199 -5.982 -13.610 1.00 0.00 C ATOM 200 CZ TYR A 13 -12.923 -6.207 -13.136 1.00 0.00 C ATOM 201 OH TYR A 13 -12.685 -7.260 -12.284 1.00 0.00 O ATOM 0 H TYR A 13 -13.127 -0.836 -16.998 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.757 -3.266 -16.723 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.552 -1.986 -15.247 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.699 -2.966 -16.138 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.313 -3.679 -14.661 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.433 -4.752 -14.838 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.886 -5.560 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.011 -6.630 -13.313 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.522 -7.742 -12.118 1.00 0.00 H new ATOM 211 N ILE A 14 -12.555 -4.866 -18.416 1.00 0.00 N ATOM 212 CA ILE A 14 -12.973 -5.815 -19.441 1.00 0.00 C ATOM 213 C ILE A 14 -14.042 -6.764 -18.908 1.00 0.00 C ATOM 214 O ILE A 14 -13.735 -7.735 -18.216 1.00 0.00 O ATOM 215 CB ILE A 14 -11.782 -6.642 -19.962 1.00 0.00 C ATOM 216 CG1 ILE A 14 -10.718 -5.721 -20.561 1.00 0.00 C ATOM 217 CG2 ILE A 14 -12.253 -7.658 -20.992 1.00 0.00 C ATOM 218 CD1 ILE A 14 -9.734 -5.190 -19.542 1.00 0.00 C ATOM 0 H ILE A 14 -11.664 -5.089 -17.972 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.386 -5.230 -20.263 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.339 -7.182 -19.125 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.172 -6.264 -21.332 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.210 -4.881 -21.050 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.400 -8.235 -21.351 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.979 -8.330 -20.534 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.718 -7.138 -21.830 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.009 -4.545 -20.038 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.269 -4.619 -18.783 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.214 -6.023 -19.070 1.00 0.00 H new ATOM 230 N ARG A 15 -15.297 -6.477 -19.238 1.00 0.00 N ATOM 231 CA ARG A 15 -16.412 -7.304 -18.793 1.00 0.00 C ATOM 232 C ARG A 15 -17.515 -7.341 -19.846 1.00 0.00 C ATOM 233 O ARG A 15 -17.941 -6.303 -20.351 1.00 0.00 O ATOM 234 CB ARG A 15 -16.971 -6.776 -17.471 1.00 0.00 C ATOM 235 CG ARG A 15 -17.761 -7.812 -16.687 1.00 0.00 C ATOM 236 CD ARG A 15 -19.193 -7.916 -17.189 1.00 0.00 C ATOM 237 NE ARG A 15 -20.093 -8.450 -16.169 1.00 0.00 N ATOM 238 CZ ARG A 15 -20.530 -7.743 -15.133 1.00 0.00 C ATOM 239 NH1 ARG A 15 -20.153 -6.481 -14.981 1.00 0.00 N ATOM 240 NH2 ARG A 15 -21.347 -8.298 -14.247 1.00 0.00 N ATOM 0 H ARG A 15 -15.567 -5.678 -19.812 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.042 -8.318 -18.643 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.146 -6.418 -16.855 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.613 -5.919 -17.674 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.273 -8.783 -16.771 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.763 -7.546 -15.630 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.541 -6.931 -17.500 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.223 -8.557 -18.070 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.402 -9.418 -16.257 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.526 -6.051 -15.661 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.490 -5.940 -14.184 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.640 -9.268 -14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.682 -7.754 -13.452 1.00 0.00 H new ATOM 254 N GLY A 16 -17.974 -8.545 -20.174 1.00 0.00 N ATOM 255 CA GLY A 16 -19.023 -8.695 -21.166 1.00 0.00 C ATOM 256 C GLY A 16 -18.681 -8.018 -22.478 1.00 0.00 C ATOM 257 O GLY A 16 -19.481 -7.254 -23.018 1.00 0.00 O ATOM 0 H GLY A 16 -17.638 -9.419 -19.770 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.202 -9.755 -21.344 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.951 -8.276 -20.776 1.00 0.00 H new ATOM 261 N ARG A 17 -17.488 -8.297 -22.993 1.00 0.00 N ATOM 262 CA ARG A 17 -17.040 -7.707 -24.249 1.00 0.00 C ATOM 263 C ARG A 17 -17.438 -8.584 -25.433 1.00 0.00 C ATOM 264 O ARG A 17 -17.210 -9.793 -25.427 1.00 0.00 O ATOM 265 CB ARG A 17 -15.523 -7.511 -24.233 1.00 0.00 C ATOM 266 CG ARG A 17 -15.028 -6.507 -25.261 1.00 0.00 C ATOM 267 CD ARG A 17 -15.175 -5.079 -24.761 1.00 0.00 C ATOM 268 NE ARG A 17 -15.215 -4.115 -25.858 1.00 0.00 N ATOM 269 CZ ARG A 17 -15.064 -2.806 -25.692 1.00 0.00 C ATOM 270 NH1 ARG A 17 -14.865 -2.307 -24.480 1.00 0.00 N ATOM 271 NH2 ARG A 17 -15.112 -1.994 -26.740 1.00 0.00 N ATOM 0 H ARG A 17 -16.814 -8.928 -22.560 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.523 -6.736 -24.359 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.218 -7.182 -23.240 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.039 -8.471 -24.413 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.982 -6.707 -25.492 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.588 -6.628 -26.188 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.087 -4.994 -24.171 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.343 -4.840 -24.099 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.367 -4.467 -26.803 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.828 -2.929 -23.672 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.749 -1.301 -24.355 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.265 -2.375 -27.674 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.996 -0.989 -26.612 1.00 0.00 H new TER 285 ARG A 17