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+ -167:sc= 0 (180deg=-0.109) USER MOD Single : A 7 HIS : no HD1:sc= -0.0825 X(o=-0.083,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -2.663 0.455 0.586 1.00 0.00 N ATOM 2 CA LEU A 1 -1.519 0.705 -0.285 1.00 0.00 C ATOM 3 C LEU A 1 -1.205 -0.520 -1.137 1.00 0.00 C ATOM 4 O LEU A 1 -0.209 -1.207 -0.911 1.00 0.00 O ATOM 5 CB LEU A 1 -0.295 1.090 0.547 1.00 0.00 C ATOM 6 CG LEU A 1 -0.344 2.463 1.219 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.631 2.522 2.385 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.039 3.561 0.211 1.00 0.00 C ATOM 0 H1 LEU A 1 -2.995 1.354 0.989 1.00 0.00 H new ATOM 0 H2 LEU A 1 -3.430 0.018 0.035 1.00 0.00 H new ATOM 0 H3 LEU A 1 -2.381 -0.186 1.355 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.773 1.531 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -0.154 0.334 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.583 1.055 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.351 2.621 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.582 3.506 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.368 1.760 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.643 2.342 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.078 4.531 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.956 3.406 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.776 3.533 -0.591 1.00 0.00 H new ATOM 20 N GLY A 2 -2.060 -0.788 -2.118 1.00 0.00 N ATOM 21 CA GLY A 2 -1.855 -1.929 -2.991 1.00 0.00 C ATOM 22 C GLY A 2 -3.130 -2.714 -3.228 1.00 0.00 C ATOM 23 O GLY A 2 -4.116 -2.540 -2.512 1.00 0.00 O ATOM 0 H GLY A 2 -2.892 -0.235 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.461 -1.585 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.103 -2.586 -2.554 1.00 0.00 H new ATOM 27 N ARG A 3 -3.111 -3.580 -4.237 1.00 0.00 N ATOM 28 CA ARG A 3 -4.276 -4.392 -4.568 1.00 0.00 C ATOM 29 C ARG A 3 -3.852 -5.763 -5.088 1.00 0.00 C ATOM 30 O ARG A 3 -2.771 -5.917 -5.655 1.00 0.00 O ATOM 31 CB ARG A 3 -5.138 -3.682 -5.614 1.00 0.00 C ATOM 32 CG ARG A 3 -5.405 -2.221 -5.294 1.00 0.00 C ATOM 33 CD ARG A 3 -6.558 -1.671 -6.118 1.00 0.00 C ATOM 34 NE ARG A 3 -7.079 -0.424 -5.567 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.965 0.343 -6.193 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.427 -0.009 -7.385 1.00 0.00 N ATOM 37 NH2 ARG A 3 -8.392 1.464 -5.626 1.00 0.00 N ATOM 0 H ARG A 3 -2.302 -3.737 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.861 -4.532 -3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.645 -3.748 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.090 -4.205 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.632 -2.116 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.506 -1.635 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.224 -1.503 -7.142 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.358 -2.410 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.745 -0.125 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.102 -0.871 -7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.107 0.582 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.040 1.738 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.072 2.052 -6.108 1.00 0.00 H new ATOM 51 N VAL A 4 -4.712 -6.757 -4.889 1.00 0.00 N ATOM 52 CA VAL A 4 -4.428 -8.115 -5.337 1.00 0.00 C ATOM 53 C VAL A 4 -4.338 -8.184 -6.857 1.00 0.00 C ATOM 54 O VAL A 4 -3.345 -8.659 -7.409 1.00 0.00 O ATOM 55 CB VAL A 4 -5.506 -9.103 -4.852 1.00 0.00 C ATOM 56 CG1 VAL A 4 -5.175 -10.517 -5.302 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.649 -9.035 -3.339 1.00 0.00 C ATOM 0 H VAL A 4 -5.611 -6.647 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.467 -8.397 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.460 -8.820 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.947 -11.201 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.129 -10.551 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.211 -10.814 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.415 -9.739 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.698 -9.291 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.937 -8.025 -3.046 1.00 0.00 H new ATOM 67 N ASP A 5 -5.380 -7.706 -7.529 1.00 0.00 N ATOM 68 CA ASP A 5 -5.418 -7.712 -8.987 1.00 0.00 C ATOM 69 C ASP A 5 -6.077 -6.443 -9.518 1.00 0.00 C ATOM 70 O ASP A 5 -6.711 -5.700 -8.768 1.00 0.00 O ATOM 71 CB ASP A 5 -6.170 -8.943 -9.493 1.00 0.00 C ATOM 72 CG ASP A 5 -5.787 -9.312 -10.913 1.00 0.00 C ATOM 73 OD1 ASP A 5 -4.617 -9.687 -11.133 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.658 -9.224 -11.805 1.00 0.00 O ATOM 0 H ASP A 5 -6.210 -7.310 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.392 -7.747 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.965 -9.787 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.243 -8.755 -9.446 1.00 0.00 H new ATOM 79 N ILE A 6 -5.923 -6.201 -10.815 1.00 0.00 N ATOM 80 CA ILE A 6 -6.504 -5.023 -11.446 1.00 0.00 C ATOM 81 C ILE A 6 -7.753 -5.384 -12.242 1.00 0.00 C ATOM 82 O ILE A 6 -7.819 -6.442 -12.869 1.00 0.00 O ATOM 83 CB ILE A 6 -5.495 -4.331 -12.383 1.00 0.00 C ATOM 84 CG1 ILE A 6 -4.228 -3.952 -11.613 1.00 0.00 C ATOM 85 CG2 ILE A 6 -6.122 -3.100 -13.019 1.00 0.00 C ATOM 86 CD1 ILE A 6 -3.173 -5.036 -11.617 1.00 0.00 C ATOM 0 H ILE A 6 -5.401 -6.805 -11.449 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.774 -4.337 -10.643 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.221 -5.027 -13.176 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.807 -3.045 -12.046 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.495 -3.719 -10.582 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.397 -2.622 -13.678 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.998 -3.395 -13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.420 -2.400 -12.239 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.303 -4.699 -11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.577 -5.938 -11.157 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.878 -5.253 -12.644 1.00 0.00 H new ATOM 98 N HIS A 7 -8.743 -4.498 -12.214 1.00 0.00 N ATOM 99 CA HIS A 7 -9.991 -4.722 -12.935 1.00 0.00 C ATOM 100 C HIS A 7 -10.008 -3.944 -14.247 1.00 0.00 C ATOM 101 O HIS A 7 -10.293 -4.501 -15.308 1.00 0.00 O ATOM 102 CB HIS A 7 -11.185 -4.314 -12.071 1.00 0.00 C ATOM 103 CG HIS A 7 -12.074 -5.459 -11.697 1.00 0.00 C ATOM 104 ND1 HIS A 7 -12.503 -5.689 -10.407 1.00 0.00 N ATOM 105 CD2 HIS A 7 -12.617 -6.442 -12.454 1.00 0.00 C ATOM 106 CE1 HIS A 7 -13.270 -6.765 -10.386 1.00 0.00 C ATOM 107 NE2 HIS A 7 -13.356 -7.240 -11.615 1.00 0.00 N ATOM 0 H HIS A 7 -8.705 -3.618 -11.700 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.064 -5.785 -13.163 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.819 -3.837 -11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.773 -3.569 -12.607 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.492 -6.574 -13.519 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.746 -7.185 -9.512 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.885 -8.065 -11.896 1.00 0.00 H new ATOM 115 N VAL A 8 -9.702 -2.653 -14.168 1.00 0.00 N ATOM 116 CA VAL A 8 -9.681 -1.799 -15.349 1.00 0.00 C ATOM 117 C VAL A 8 -8.661 -2.294 -16.368 1.00 0.00 C ATOM 118 O VAL A 8 -7.819 -3.137 -16.059 1.00 0.00 O ATOM 119 CB VAL A 8 -9.355 -0.339 -14.981 1.00 0.00 C ATOM 120 CG1 VAL A 8 -10.409 0.222 -14.039 1.00 0.00 C ATOM 121 CG2 VAL A 8 -7.969 -0.244 -14.361 1.00 0.00 C ATOM 0 H VAL A 8 -9.465 -2.176 -13.298 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.678 -1.842 -15.787 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.362 0.258 -15.893 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.162 1.254 -13.790 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.385 0.189 -14.524 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.437 -0.375 -13.127 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.754 0.794 -14.107 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.932 -0.854 -13.458 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.226 -0.604 -15.073 1.00 0.00 H new ATOM 131 N TRP A 9 -8.743 -1.765 -17.584 1.00 0.00 N ATOM 132 CA TRP A 9 -7.826 -2.154 -18.650 1.00 0.00 C ATOM 133 C TRP A 9 -7.824 -1.120 -19.770 1.00 0.00 C ATOM 134 O TRP A 9 -8.880 -0.730 -20.269 1.00 0.00 O ATOM 135 CB TRP A 9 -8.210 -3.526 -19.206 1.00 0.00 C ATOM 136 CG TRP A 9 -7.236 -4.051 -20.217 1.00 0.00 C ATOM 137 CD1 TRP A 9 -5.879 -4.129 -20.084 1.00 0.00 C ATOM 138 CD2 TRP A 9 -7.544 -4.568 -21.516 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.325 -4.664 -21.222 1.00 0.00 N ATOM 140 CE2 TRP A 9 -6.326 -4.942 -22.115 1.00 0.00 C ATOM 141 CE3 TRP A 9 -8.731 -4.752 -22.230 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -6.263 -5.489 -23.394 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -8.667 -5.294 -23.500 1.00 0.00 C ATOM 144 CH2 TRP A 9 -7.440 -5.658 -24.071 1.00 0.00 C ATOM 0 H TRP A 9 -9.434 -1.066 -17.856 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.822 -2.209 -18.230 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.286 -4.236 -18.382 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.198 -3.462 -19.663 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.323 -3.816 -19.213 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.330 -4.828 -21.377 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.681 -4.476 -21.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -5.318 -5.770 -23.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.578 -5.439 -24.062 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -7.423 -6.080 -25.065 1.00 0.00 H new ATOM 155 N ASP A 10 -6.633 -0.679 -20.160 1.00 0.00 N ATOM 156 CA ASP A 10 -6.494 0.309 -21.223 1.00 0.00 C ATOM 157 C ASP A 10 -7.287 1.572 -20.898 1.00 0.00 C ATOM 158 O ASP A 10 -7.719 2.294 -21.796 1.00 0.00 O ATOM 159 CB ASP A 10 -6.965 -0.274 -22.556 1.00 0.00 C ATOM 160 CG ASP A 10 -6.274 0.365 -23.745 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.080 0.709 -23.623 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.928 0.521 -24.797 1.00 0.00 O ATOM 0 H ASP A 10 -5.750 -0.990 -19.756 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.440 0.573 -21.303 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.779 -1.348 -22.565 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.042 -0.137 -22.649 1.00 0.00 H new ATOM 167 N GLY A 11 -7.475 1.830 -19.608 1.00 0.00 N ATOM 168 CA GLY A 11 -8.216 3.005 -19.187 1.00 0.00 C ATOM 169 C GLY A 11 -9.711 2.852 -19.392 1.00 0.00 C ATOM 170 O GLY A 11 -10.437 3.841 -19.483 1.00 0.00 O ATOM 0 H GLY A 11 -7.128 1.247 -18.847 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.015 3.199 -18.134 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.863 3.873 -19.744 1.00 0.00 H new ATOM 174 N VAL A 12 -10.171 1.607 -19.467 1.00 0.00 N ATOM 175 CA VAL A 12 -11.589 1.327 -19.664 1.00 0.00 C ATOM 176 C VAL A 12 -11.972 -0.019 -19.059 1.00 0.00 C ATOM 177 O VAL A 12 -11.343 -1.039 -19.340 1.00 0.00 O ATOM 178 CB VAL A 12 -11.959 1.330 -21.159 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.942 2.747 -21.711 1.00 0.00 C ATOM 180 CG2 VAL A 12 -11.015 0.431 -21.943 1.00 0.00 C ATOM 0 H VAL A 12 -9.583 0.777 -19.394 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.142 2.119 -19.159 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.970 0.937 -21.266 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.206 2.729 -22.768 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.663 3.358 -21.168 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.945 3.171 -21.593 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.291 0.445 -22.997 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.992 0.791 -21.831 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.084 -0.588 -21.563 1.00 0.00 H new ATOM 190 N TYR A 13 -13.008 -0.014 -18.227 1.00 0.00 N ATOM 191 CA TYR A 13 -13.475 -1.234 -17.580 1.00 0.00 C ATOM 192 C TYR A 13 -13.982 -2.237 -18.611 1.00 0.00 C ATOM 193 O TYR A 13 -14.704 -1.877 -19.541 1.00 0.00 O ATOM 194 CB TYR A 13 -14.583 -0.912 -16.576 1.00 0.00 C ATOM 195 CG TYR A 13 -15.832 -0.347 -17.214 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.978 1.020 -17.411 1.00 0.00 C ATOM 197 CD2 TYR A 13 -16.866 -1.182 -17.620 1.00 0.00 C ATOM 198 CE1 TYR A 13 -17.118 1.540 -17.993 1.00 0.00 C ATOM 199 CE2 TYR A 13 -18.009 -0.671 -18.204 1.00 0.00 C ATOM 200 CZ TYR A 13 -18.131 0.691 -18.388 1.00 0.00 C ATOM 201 OH TYR A 13 -19.267 1.205 -18.969 1.00 0.00 O ATOM 0 H TYR A 13 -13.540 0.822 -17.985 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.633 -1.680 -17.050 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.842 -1.819 -16.030 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.203 -0.198 -15.845 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.187 1.688 -17.104 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.774 -2.249 -17.477 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.216 2.606 -18.138 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.803 -1.334 -18.515 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.881 0.474 -19.189 1.00 0.00 H new ATOM 211 N ILE A 14 -13.600 -3.498 -18.438 1.00 0.00 N ATOM 212 CA ILE A 14 -14.018 -4.555 -19.351 1.00 0.00 C ATOM 213 C ILE A 14 -15.538 -4.641 -19.434 1.00 0.00 C ATOM 214 O ILE A 14 -16.237 -4.416 -18.446 1.00 0.00 O ATOM 215 CB ILE A 14 -13.460 -5.924 -18.921 1.00 0.00 C ATOM 216 CG1 ILE A 14 -11.935 -5.866 -18.812 1.00 0.00 C ATOM 217 CG2 ILE A 14 -13.886 -7.003 -19.905 1.00 0.00 C ATOM 218 CD1 ILE A 14 -11.333 -7.062 -18.108 1.00 0.00 C ATOM 0 H ILE A 14 -13.002 -3.813 -17.674 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.617 -4.301 -20.332 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.866 -6.174 -17.941 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.510 -5.792 -19.813 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.651 -4.959 -18.278 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -13.484 -7.965 -19.587 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -14.974 -7.058 -19.937 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.506 -6.761 -20.897 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.249 -6.953 -18.067 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.730 -7.125 -17.095 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.586 -7.971 -18.654 1.00 0.00 H new ATOM 230 N ARG A 15 -16.043 -4.969 -20.618 1.00 0.00 N ATOM 231 CA ARG A 15 -17.481 -5.086 -20.830 1.00 0.00 C ATOM 232 C ARG A 15 -18.077 -6.165 -19.930 1.00 0.00 C ATOM 233 O ARG A 15 -17.464 -7.207 -19.702 1.00 0.00 O ATOM 234 CB ARG A 15 -17.777 -5.409 -22.296 1.00 0.00 C ATOM 235 CG ARG A 15 -19.236 -5.741 -22.563 1.00 0.00 C ATOM 236 CD ARG A 15 -19.524 -5.826 -24.054 1.00 0.00 C ATOM 237 NE ARG A 15 -19.814 -4.516 -24.631 1.00 0.00 N ATOM 238 CZ ARG A 15 -19.740 -4.254 -25.931 1.00 0.00 C ATOM 239 NH1 ARG A 15 -19.389 -5.206 -26.784 1.00 0.00 N ATOM 240 NH2 ARG A 15 -20.019 -3.036 -26.380 1.00 0.00 N ATOM 0 H ARG A 15 -15.478 -5.159 -21.446 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.940 -4.130 -20.576 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.488 -4.558 -22.912 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.159 -6.251 -22.606 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.487 -6.689 -22.088 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.872 -4.980 -22.111 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.667 -6.265 -24.564 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.371 -6.492 -24.222 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.088 -3.762 -24.002 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.175 -6.143 -26.443 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.333 -5.002 -27.782 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.290 -2.301 -25.727 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.962 -2.835 -27.378 1.00 0.00 H new ATOM 254 N GLY A 16 -19.277 -5.905 -19.420 1.00 0.00 N ATOM 255 CA GLY A 16 -19.936 -6.862 -18.550 1.00 0.00 C ATOM 256 C GLY A 16 -19.093 -7.224 -17.343 1.00 0.00 C ATOM 257 O GLY A 16 -19.043 -6.477 -16.366 1.00 0.00 O ATOM 0 H GLY A 16 -19.804 -5.049 -19.594 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.887 -6.449 -18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.163 -7.766 -19.115 1.00 0.00 H new ATOM 261 N ARG A 17 -18.432 -8.375 -17.409 1.00 0.00 N ATOM 262 CA ARG A 17 -17.590 -8.836 -16.311 1.00 0.00 C ATOM 263 C ARG A 17 -16.221 -8.164 -16.357 1.00 0.00 C ATOM 264 O ARG A 17 -15.334 -8.483 -15.565 1.00 0.00 O ATOM 265 CB ARG A 17 -17.425 -10.356 -16.370 1.00 0.00 C ATOM 266 CG ARG A 17 -16.864 -10.958 -15.092 1.00 0.00 C ATOM 267 CD ARG A 17 -17.124 -12.454 -15.020 1.00 0.00 C ATOM 268 NE ARG A 17 -16.383 -13.087 -13.933 1.00 0.00 N ATOM 269 CZ ARG A 17 -16.266 -14.402 -13.791 1.00 0.00 C ATOM 270 NH1 ARG A 17 -16.839 -15.220 -14.663 1.00 0.00 N ATOM 271 NH2 ARG A 17 -15.574 -14.902 -12.775 1.00 0.00 N ATOM 0 H ARG A 17 -18.463 -9.005 -18.210 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.078 -8.566 -15.374 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.393 -10.810 -16.581 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.766 -10.609 -17.201 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.791 -10.771 -15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.314 -10.467 -14.229 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.191 -12.630 -14.882 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.844 -12.916 -15.967 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.930 -12.486 -13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.371 -14.840 -15.445 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.747 -16.230 -14.551 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.131 -14.276 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.485 -15.912 -12.667 1.00 0.00 H new TER 285 ARG A 17