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+ 158:sc= -1.6 (180deg=-2.96!) USER MOD Single : A 7 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.036) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.690 2.764 -1.205 1.00 0.00 N ATOM 2 CA LEU A 1 -2.472 2.715 -2.006 1.00 0.00 C ATOM 3 C LEU A 1 -2.620 1.732 -3.162 1.00 0.00 C ATOM 4 O LEU A 1 -1.641 1.143 -3.620 1.00 0.00 O ATOM 5 CB LEU A 1 -1.280 2.319 -1.134 1.00 0.00 C ATOM 6 CG LEU A 1 -1.366 0.948 -0.462 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.026 0.410 -0.169 1.00 0.00 C ATOM 8 CD2 LEU A 1 -2.188 1.031 0.816 1.00 0.00 C ATOM 0 H1 LEU A 1 -3.466 3.122 -0.254 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.379 3.397 -1.659 1.00 0.00 H new ATOM 0 H3 LEU A 1 -4.094 1.809 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.298 3.709 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -0.381 2.344 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.156 3.075 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.863 0.260 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.054 -0.566 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.582 0.313 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.549 1.097 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -2.239 0.046 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -1.719 1.734 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -3.196 1.372 0.579 1.00 0.00 H new ATOM 20 N GLY A 2 -3.852 1.559 -3.632 1.00 0.00 N ATOM 21 CA GLY A 2 -4.106 0.647 -4.733 1.00 0.00 C ATOM 22 C GLY A 2 -4.352 -0.773 -4.264 1.00 0.00 C ATOM 23 O GLY A 2 -4.589 -1.010 -3.079 1.00 0.00 O ATOM 0 H GLY A 2 -4.679 2.034 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.971 0.995 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.255 0.659 -5.415 1.00 0.00 H new ATOM 27 N ARG A 3 -4.299 -1.720 -5.195 1.00 0.00 N ATOM 28 CA ARG A 3 -4.522 -3.123 -4.871 1.00 0.00 C ATOM 29 C ARG A 3 -3.229 -3.924 -5.004 1.00 0.00 C ATOM 30 O ARG A 3 -2.330 -3.550 -5.758 1.00 0.00 O ATOM 31 CB ARG A 3 -5.597 -3.715 -5.784 1.00 0.00 C ATOM 32 CG ARG A 3 -6.820 -2.827 -5.940 1.00 0.00 C ATOM 33 CD ARG A 3 -6.771 -2.035 -7.238 1.00 0.00 C ATOM 34 NE ARG A 3 -7.437 -0.741 -7.115 1.00 0.00 N ATOM 35 CZ ARG A 3 -8.756 -0.589 -7.124 1.00 0.00 C ATOM 36 NH1 ARG A 3 -9.548 -1.646 -7.249 1.00 0.00 N ATOM 37 NH2 ARG A 3 -9.287 0.621 -7.007 1.00 0.00 N ATOM 0 H ARG A 3 -4.103 -1.541 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.861 -3.181 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.165 -3.900 -6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.908 -4.681 -5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.721 -3.440 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.883 -2.141 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.732 -1.882 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.244 -2.612 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.857 0.092 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.144 -2.578 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.561 -1.526 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.682 1.436 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.300 0.736 -7.014 1.00 0.00 H new ATOM 51 N VAL A 4 -3.143 -5.026 -4.266 1.00 0.00 N ATOM 52 CA VAL A 4 -1.961 -5.879 -4.301 1.00 0.00 C ATOM 53 C VAL A 4 -1.855 -6.615 -5.632 1.00 0.00 C ATOM 54 O VAL A 4 -0.833 -7.233 -5.932 1.00 0.00 O ATOM 55 CB VAL A 4 -1.979 -6.910 -3.157 1.00 0.00 C ATOM 56 CG1 VAL A 4 -0.646 -7.638 -3.074 1.00 0.00 C ATOM 57 CG2 VAL A 4 -2.309 -6.233 -1.836 1.00 0.00 C ATOM 0 H VAL A 4 -3.878 -5.349 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.096 -5.227 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.755 -7.646 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.677 -8.362 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.455 -8.156 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.151 -6.918 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.318 -6.976 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.557 -5.475 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.290 -5.762 -1.904 1.00 0.00 H new ATOM 67 N ASP A 5 -2.917 -6.544 -6.428 1.00 0.00 N ATOM 68 CA ASP A 5 -2.943 -7.203 -7.729 1.00 0.00 C ATOM 69 C ASP A 5 -3.957 -6.538 -8.654 1.00 0.00 C ATOM 70 O ASP A 5 -5.046 -6.157 -8.225 1.00 0.00 O ATOM 71 CB ASP A 5 -3.277 -8.686 -7.567 1.00 0.00 C ATOM 72 CG ASP A 5 -4.301 -8.933 -6.476 1.00 0.00 C ATOM 73 OD1 ASP A 5 -5.324 -8.217 -6.450 1.00 0.00 O ATOM 74 OD2 ASP A 5 -4.080 -9.841 -5.648 1.00 0.00 O ATOM 0 H ASP A 5 -3.771 -6.037 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.954 -7.109 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.656 -9.075 -8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.365 -9.238 -7.337 1.00 0.00 H new ATOM 79 N ILE A 6 -3.591 -6.401 -9.924 1.00 0.00 N ATOM 80 CA ILE A 6 -4.468 -5.782 -10.909 1.00 0.00 C ATOM 81 C ILE A 6 -5.831 -6.465 -10.937 1.00 0.00 C ATOM 82 O ILE A 6 -5.938 -7.648 -11.262 1.00 0.00 O ATOM 83 CB ILE A 6 -3.853 -5.830 -12.320 1.00 0.00 C ATOM 84 CG1 ILE A 6 -2.454 -5.212 -12.312 1.00 0.00 C ATOM 85 CG2 ILE A 6 -4.751 -5.108 -13.314 1.00 0.00 C ATOM 86 CD1 ILE A 6 -1.341 -6.236 -12.305 1.00 0.00 C ATOM 0 H ILE A 6 -2.693 -6.711 -10.295 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.592 -4.741 -10.611 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.767 -6.872 -12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.343 -4.573 -13.188 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.353 -4.572 -11.435 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.303 -5.150 -14.307 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.729 -5.589 -13.336 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.865 -4.067 -13.012 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.378 -5.726 -12.300 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.426 -6.860 -11.415 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.416 -6.861 -13.195 1.00 0.00 H new ATOM 98 N HIS A 7 -6.872 -5.712 -10.596 1.00 0.00 N ATOM 99 CA HIS A 7 -8.230 -6.244 -10.584 1.00 0.00 C ATOM 100 C HIS A 7 -9.011 -5.767 -11.805 1.00 0.00 C ATOM 101 O HIS A 7 -10.110 -6.249 -12.079 1.00 0.00 O ATOM 102 CB HIS A 7 -8.954 -5.824 -9.305 1.00 0.00 C ATOM 103 CG HIS A 7 -9.331 -6.975 -8.424 1.00 0.00 C ATOM 104 ND1 HIS A 7 -10.495 -7.009 -7.686 1.00 0.00 N ATOM 105 CD2 HIS A 7 -8.690 -8.139 -8.166 1.00 0.00 C ATOM 106 CE1 HIS A 7 -10.553 -8.143 -7.011 1.00 0.00 C ATOM 107 NE2 HIS A 7 -9.470 -8.847 -7.285 1.00 0.00 N ATOM 0 H HIS A 7 -6.801 -4.731 -10.324 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.168 -7.332 -10.616 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.316 -5.141 -8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.855 -5.271 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.742 -8.453 -8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.351 -8.443 -6.348 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.249 -9.767 -6.904 1.00 0.00 H new ATOM 115 N VAL A 8 -8.436 -4.817 -12.536 1.00 0.00 N ATOM 116 CA VAL A 8 -9.077 -4.276 -13.728 1.00 0.00 C ATOM 117 C VAL A 8 -8.368 -4.743 -14.994 1.00 0.00 C ATOM 118 O VAL A 8 -7.432 -5.540 -14.935 1.00 0.00 O ATOM 119 CB VAL A 8 -9.099 -2.736 -13.703 1.00 0.00 C ATOM 120 CG1 VAL A 8 -9.813 -2.232 -12.458 1.00 0.00 C ATOM 121 CG2 VAL A 8 -7.684 -2.182 -13.777 1.00 0.00 C ATOM 0 H VAL A 8 -7.527 -4.406 -12.323 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.102 -4.647 -13.732 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.649 -2.384 -14.576 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.819 -1.142 -12.458 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.839 -2.600 -12.453 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.294 -2.592 -11.570 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.718 -1.093 -13.758 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.107 -2.542 -12.925 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.211 -2.514 -14.701 1.00 0.00 H new ATOM 131 N TRP A 9 -8.820 -4.241 -16.138 1.00 0.00 N ATOM 132 CA TRP A 9 -8.228 -4.606 -17.419 1.00 0.00 C ATOM 133 C TRP A 9 -8.172 -3.404 -18.356 1.00 0.00 C ATOM 134 O TRP A 9 -9.186 -2.754 -18.607 1.00 0.00 O ATOM 135 CB TRP A 9 -9.026 -5.738 -18.069 1.00 0.00 C ATOM 136 CG TRP A 9 -8.293 -6.417 -19.186 1.00 0.00 C ATOM 137 CD1 TRP A 9 -8.401 -6.146 -20.520 1.00 0.00 C ATOM 138 CD2 TRP A 9 -7.341 -7.480 -19.066 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.573 -6.977 -21.237 1.00 0.00 N ATOM 140 CE2 TRP A 9 -6.912 -7.804 -20.368 1.00 0.00 C ATOM 141 CE3 TRP A 9 -6.808 -8.187 -17.985 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -5.977 -8.805 -20.615 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -5.881 -9.181 -18.232 1.00 0.00 C ATOM 144 CH2 TRP A 9 -5.472 -9.482 -19.538 1.00 0.00 C ATOM 0 H TRP A 9 -9.594 -3.580 -16.204 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.209 -4.947 -17.236 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.280 -6.477 -17.309 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.965 -5.338 -18.451 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.042 -5.390 -20.949 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -7.468 -6.978 -22.252 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.115 -7.960 -16.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -5.661 -9.039 -21.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.464 -9.736 -17.404 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.744 -10.264 -19.698 1.00 0.00 H new ATOM 155 N ASP A 10 -6.981 -3.115 -18.869 1.00 0.00 N ATOM 156 CA ASP A 10 -6.794 -1.991 -19.780 1.00 0.00 C ATOM 157 C ASP A 10 -7.280 -0.691 -19.146 1.00 0.00 C ATOM 158 O ASP A 10 -7.864 0.158 -19.817 1.00 0.00 O ATOM 159 CB ASP A 10 -7.537 -2.242 -21.093 1.00 0.00 C ATOM 160 CG ASP A 10 -6.767 -3.154 -22.028 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.597 -3.465 -21.723 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.335 -3.556 -23.065 1.00 0.00 O ATOM 0 H ASP A 10 -6.131 -3.643 -18.670 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.728 -1.897 -19.987 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.510 -2.684 -20.878 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.723 -1.290 -21.590 1.00 0.00 H new ATOM 167 N GLY A 11 -7.037 -0.544 -17.847 1.00 0.00 N ATOM 168 CA GLY A 11 -7.458 0.653 -17.144 1.00 0.00 C ATOM 169 C GLY A 11 -8.824 0.501 -16.506 1.00 0.00 C ATOM 170 O GLY A 11 -9.048 0.956 -15.384 1.00 0.00 O ATOM 0 H GLY A 11 -6.556 -1.233 -17.269 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.726 0.895 -16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.477 1.492 -17.840 1.00 0.00 H new ATOM 174 N VAL A 12 -9.742 -0.140 -17.223 1.00 0.00 N ATOM 175 CA VAL A 12 -11.094 -0.351 -16.720 1.00 0.00 C ATOM 176 C VAL A 12 -11.692 -1.639 -17.275 1.00 0.00 C ATOM 177 O VAL A 12 -11.655 -1.884 -18.481 1.00 0.00 O ATOM 178 CB VAL A 12 -12.017 0.828 -17.081 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.675 2.051 -16.244 1.00 0.00 C ATOM 180 CG2 VAL A 12 -11.921 1.144 -18.566 1.00 0.00 C ATOM 0 H VAL A 12 -9.574 -0.522 -18.154 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.020 -0.426 -15.635 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.045 0.542 -16.859 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.338 2.873 -16.514 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.800 1.815 -15.187 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.641 2.342 -16.431 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.580 1.979 -18.804 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.894 1.409 -18.816 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.221 0.270 -19.144 1.00 0.00 H new ATOM 190 N TYR A 13 -12.244 -2.459 -16.387 1.00 0.00 N ATOM 191 CA TYR A 13 -12.848 -3.724 -16.787 1.00 0.00 C ATOM 192 C TYR A 13 -14.079 -3.488 -17.657 1.00 0.00 C ATOM 193 O TYR A 13 -15.150 -3.142 -17.156 1.00 0.00 O ATOM 194 CB TYR A 13 -13.231 -4.543 -15.554 1.00 0.00 C ATOM 195 CG TYR A 13 -13.200 -6.037 -15.785 1.00 0.00 C ATOM 196 CD1 TYR A 13 -14.236 -6.678 -16.453 1.00 0.00 C ATOM 197 CD2 TYR A 13 -12.134 -6.807 -15.337 1.00 0.00 C ATOM 198 CE1 TYR A 13 -14.212 -8.043 -16.667 1.00 0.00 C ATOM 199 CE2 TYR A 13 -12.101 -8.172 -15.547 1.00 0.00 C ATOM 200 CZ TYR A 13 -13.142 -8.785 -16.212 1.00 0.00 C ATOM 201 OH TYR A 13 -13.114 -10.145 -16.424 1.00 0.00 O ATOM 0 H TYR A 13 -12.285 -2.270 -15.386 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.114 -4.280 -17.370 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.551 -4.296 -14.739 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.232 -4.254 -15.233 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.075 -6.099 -16.811 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.317 -6.330 -14.816 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.026 -8.526 -17.187 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.265 -8.756 -15.192 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.292 -10.519 -16.043 1.00 0.00 H new ATOM 211 N ILE A 14 -13.919 -3.678 -18.962 1.00 0.00 N ATOM 212 CA ILE A 14 -15.017 -3.488 -19.902 1.00 0.00 C ATOM 213 C ILE A 14 -16.204 -4.376 -19.547 1.00 0.00 C ATOM 214 O ILE A 14 -16.033 -5.499 -19.072 1.00 0.00 O ATOM 215 CB ILE A 14 -14.579 -3.789 -21.347 1.00 0.00 C ATOM 216 CG1 ILE A 14 -13.376 -2.924 -21.730 1.00 0.00 C ATOM 217 CG2 ILE A 14 -15.733 -3.556 -22.310 1.00 0.00 C ATOM 218 CD1 ILE A 14 -12.695 -3.366 -23.006 1.00 0.00 C ATOM 0 H ILE A 14 -13.040 -3.963 -19.393 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.315 -2.442 -19.832 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.284 -4.836 -21.410 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -13.703 -1.890 -21.842 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.651 -2.943 -20.916 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -15.407 -3.773 -23.327 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -16.564 -4.211 -22.047 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -16.056 -2.517 -22.246 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.852 -2.708 -23.215 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.337 -4.389 -22.892 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -13.405 -3.320 -23.832 1.00 0.00 H new ATOM 230 N ARG A 15 -17.409 -3.866 -19.781 1.00 0.00 N ATOM 231 CA ARG A 15 -18.626 -4.613 -19.487 1.00 0.00 C ATOM 232 C ARG A 15 -19.735 -4.255 -20.472 1.00 0.00 C ATOM 233 O ARG A 15 -19.838 -3.113 -20.918 1.00 0.00 O ATOM 234 CB ARG A 15 -19.088 -4.332 -18.056 1.00 0.00 C ATOM 235 CG ARG A 15 -20.125 -5.319 -17.546 1.00 0.00 C ATOM 236 CD ARG A 15 -20.068 -5.455 -16.033 1.00 0.00 C ATOM 237 NE ARG A 15 -20.510 -6.773 -15.585 1.00 0.00 N ATOM 238 CZ ARG A 15 -19.737 -7.853 -15.601 1.00 0.00 C ATOM 239 NH1 ARG A 15 -18.488 -7.771 -16.040 1.00 0.00 N ATOM 240 NH2 ARG A 15 -20.211 -9.017 -15.176 1.00 0.00 N ATOM 0 H ARG A 15 -17.568 -2.938 -20.173 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.404 -5.675 -19.588 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.223 -4.352 -17.393 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.503 -3.325 -18.008 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.120 -4.990 -17.846 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.959 -6.293 -18.006 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.048 -5.279 -15.691 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.694 -4.688 -15.576 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.465 -6.869 -15.241 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.120 -6.877 -16.366 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.896 -8.601 -16.051 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.170 -9.084 -14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.616 -9.845 -15.189 1.00 0.00 H new ATOM 254 N GLY A 16 -20.563 -5.240 -20.806 1.00 0.00 N ATOM 255 CA GLY A 16 -21.653 -5.009 -21.736 1.00 0.00 C ATOM 256 C GLY A 16 -21.175 -4.459 -23.065 1.00 0.00 C ATOM 257 O GLY A 16 -21.492 -3.326 -23.426 1.00 0.00 O ATOM 0 H GLY A 16 -20.499 -6.193 -20.449 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -22.187 -5.944 -21.904 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -22.363 -4.312 -21.292 1.00 0.00 H new ATOM 261 N ARG A 17 -20.409 -5.264 -23.795 1.00 0.00 N ATOM 262 CA ARG A 17 -19.883 -4.850 -25.090 1.00 0.00 C ATOM 263 C ARG A 17 -21.017 -4.490 -26.047 1.00 0.00 C ATOM 264 O ARG A 17 -21.200 -5.136 -27.078 1.00 0.00 O ATOM 265 CB ARG A 17 -19.025 -5.962 -25.695 1.00 0.00 C ATOM 266 CG ARG A 17 -18.142 -5.496 -26.841 1.00 0.00 C ATOM 267 CD ARG A 17 -16.869 -4.838 -26.330 1.00 0.00 C ATOM 268 NE ARG A 17 -17.087 -3.445 -25.950 1.00 0.00 N ATOM 269 CZ ARG A 17 -17.134 -2.444 -26.823 1.00 0.00 C ATOM 270 NH1 ARG A 17 -16.978 -2.681 -28.118 1.00 0.00 N ATOM 271 NH2 ARG A 17 -17.336 -1.203 -26.400 1.00 0.00 N ATOM 0 H ARG A 17 -20.139 -6.206 -23.512 1.00 0.00 H new ATOM 0 HA ARG A 17 -19.264 -3.966 -24.937 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.396 -6.390 -24.914 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -19.677 -6.759 -26.051 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.885 -6.346 -27.473 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.693 -4.791 -27.463 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.494 -5.394 -25.471 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.101 -4.887 -27.102 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.210 -3.228 -24.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.821 -3.634 -28.447 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.015 -1.911 -28.785 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.455 -1.017 -25.404 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.372 -0.435 -27.070 1.00 0.00 H new TER 285 ARG A 17