USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -4.378 2.222 0.714 1.00 0.00 N ATOM 2 CA LEU A 1 -5.280 1.544 -0.211 1.00 0.00 C ATOM 3 C LEU A 1 -4.529 1.059 -1.447 1.00 0.00 C ATOM 4 O LEU A 1 -3.983 1.858 -2.207 1.00 0.00 O ATOM 5 CB LEU A 1 -6.416 2.481 -0.625 1.00 0.00 C ATOM 6 CG LEU A 1 -7.741 1.810 -0.989 1.00 0.00 C ATOM 7 CD1 LEU A 1 -7.560 0.889 -2.186 1.00 0.00 C ATOM 8 CD2 LEU A 1 -8.294 1.039 0.201 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.912 2.543 1.547 1.00 0.00 H new ATOM 0 H2 LEU A 1 -3.630 1.565 1.014 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.948 3.043 0.241 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.700 0.677 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -6.598 3.181 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.082 3.068 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 1 -8.458 2.586 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.513 0.420 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -7.210 1.468 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -6.828 0.119 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.237 0.568 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -7.580 0.272 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.461 1.724 1.032 1.00 0.00 H new ATOM 20 N GLY A 2 -4.509 -0.256 -1.643 1.00 0.00 N ATOM 21 CA GLY A 2 -3.825 -0.824 -2.789 1.00 0.00 C ATOM 22 C GLY A 2 -4.327 -2.213 -3.134 1.00 0.00 C ATOM 23 O GLY A 2 -5.036 -2.837 -2.345 1.00 0.00 O ATOM 0 H GLY A 2 -4.954 -0.937 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.959 -0.169 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.755 -0.868 -2.585 1.00 0.00 H new ATOM 27 N ARG A 3 -3.959 -2.696 -4.316 1.00 0.00 N ATOM 28 CA ARG A 3 -4.380 -4.018 -4.765 1.00 0.00 C ATOM 29 C ARG A 3 -3.171 -4.891 -5.091 1.00 0.00 C ATOM 30 O ARG A 3 -2.104 -4.387 -5.439 1.00 0.00 O ATOM 31 CB ARG A 3 -5.283 -3.900 -5.994 1.00 0.00 C ATOM 32 CG ARG A 3 -6.506 -3.025 -5.769 1.00 0.00 C ATOM 33 CD ARG A 3 -7.665 -3.826 -5.197 1.00 0.00 C ATOM 34 NE ARG A 3 -8.737 -2.963 -4.707 1.00 0.00 N ATOM 35 CZ ARG A 3 -9.986 -3.376 -4.522 1.00 0.00 C ATOM 36 NH1 ARG A 3 -10.318 -4.633 -4.784 1.00 0.00 N ATOM 37 NH2 ARG A 3 -10.905 -2.531 -4.073 1.00 0.00 N ATOM 0 H ARG A 3 -3.371 -2.192 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.939 -4.488 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.703 -3.494 -6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.609 -4.896 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.253 -2.212 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.807 -2.569 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.058 -4.493 -5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.305 -4.454 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.514 -1.990 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.614 -5.285 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.278 -4.947 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.653 -1.564 -3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.864 -2.849 -3.931 1.00 0.00 H new ATOM 51 N VAL A 4 -3.347 -6.204 -4.974 1.00 0.00 N ATOM 52 CA VAL A 4 -2.272 -7.147 -5.257 1.00 0.00 C ATOM 53 C VAL A 4 -1.829 -7.056 -6.712 1.00 0.00 C ATOM 54 O VAL A 4 -0.641 -6.915 -7.002 1.00 0.00 O ATOM 55 CB VAL A 4 -2.702 -8.595 -4.953 1.00 0.00 C ATOM 56 CG1 VAL A 4 -1.536 -9.551 -5.153 1.00 0.00 C ATOM 57 CG2 VAL A 4 -3.252 -8.701 -3.538 1.00 0.00 C ATOM 0 H VAL A 4 -4.224 -6.638 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.437 -6.879 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.494 -8.874 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.858 -10.569 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.192 -9.494 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.721 -9.276 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.551 -9.730 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.483 -8.403 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.117 -8.046 -3.434 1.00 0.00 H new ATOM 67 N ASP A 5 -2.792 -7.136 -7.624 1.00 0.00 N ATOM 68 CA ASP A 5 -2.501 -7.061 -9.051 1.00 0.00 C ATOM 69 C ASP A 5 -3.534 -6.199 -9.771 1.00 0.00 C ATOM 70 O ASP A 5 -4.596 -5.899 -9.225 1.00 0.00 O ATOM 71 CB ASP A 5 -2.473 -8.462 -9.663 1.00 0.00 C ATOM 72 CG ASP A 5 -1.616 -8.532 -10.912 1.00 0.00 C ATOM 73 OD1 ASP A 5 -1.016 -7.500 -11.277 1.00 0.00 O ATOM 74 OD2 ASP A 5 -1.547 -9.619 -11.524 1.00 0.00 O ATOM 0 H ASP A 5 -3.780 -7.253 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.520 -6.601 -9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.094 -9.170 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.490 -8.769 -9.906 1.00 0.00 H new ATOM 79 N ILE A 6 -3.214 -5.803 -10.999 1.00 0.00 N ATOM 80 CA ILE A 6 -4.114 -4.976 -11.793 1.00 0.00 C ATOM 81 C ILE A 6 -5.494 -5.616 -11.905 1.00 0.00 C ATOM 82 O ILE A 6 -5.615 -6.813 -12.166 1.00 0.00 O ATOM 83 CB ILE A 6 -3.556 -4.735 -13.208 1.00 0.00 C ATOM 84 CG1 ILE A 6 -2.178 -4.075 -13.131 1.00 0.00 C ATOM 85 CG2 ILE A 6 -4.516 -3.876 -14.017 1.00 0.00 C ATOM 86 CD1 ILE A 6 -1.032 -5.046 -13.309 1.00 0.00 C ATOM 0 H ILE A 6 -2.339 -6.042 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.200 -4.019 -11.278 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.450 -5.697 -13.709 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.111 -3.302 -13.897 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.076 -3.578 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.107 -3.715 -15.015 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.478 -4.382 -14.096 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.651 -2.915 -13.520 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.086 -4.508 -13.243 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.074 -5.805 -12.528 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.109 -5.525 -14.285 1.00 0.00 H new ATOM 98 N HIS A 7 -6.532 -4.809 -11.707 1.00 0.00 N ATOM 99 CA HIS A 7 -7.904 -5.296 -11.789 1.00 0.00 C ATOM 100 C HIS A 7 -8.561 -4.856 -13.094 1.00 0.00 C ATOM 101 O HIS A 7 -9.143 -5.668 -13.812 1.00 0.00 O ATOM 102 CB HIS A 7 -8.719 -4.790 -10.598 1.00 0.00 C ATOM 103 CG HIS A 7 -9.882 -5.667 -10.251 1.00 0.00 C ATOM 104 ND1 HIS A 7 -11.195 -5.276 -10.412 1.00 0.00 N ATOM 105 CD2 HIS A 7 -9.925 -6.924 -9.751 1.00 0.00 C ATOM 106 CE1 HIS A 7 -11.994 -6.253 -10.024 1.00 0.00 C ATOM 107 NE2 HIS A 7 -11.248 -7.265 -9.619 1.00 0.00 N ATOM 0 H HIS A 7 -6.449 -3.816 -11.489 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.878 -6.385 -11.766 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.065 -4.708 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.084 -3.787 -10.818 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.076 -7.544 -9.502 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.074 -6.229 -10.036 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.598 -8.155 -9.266 1.00 0.00 H new ATOM 115 N VAL A 8 -8.462 -3.565 -13.394 1.00 0.00 N ATOM 116 CA VAL A 8 -9.046 -3.017 -14.612 1.00 0.00 C ATOM 117 C VAL A 8 -8.415 -3.640 -15.852 1.00 0.00 C ATOM 118 O VAL A 8 -7.550 -4.510 -15.750 1.00 0.00 O ATOM 119 CB VAL A 8 -8.876 -1.487 -14.677 1.00 0.00 C ATOM 120 CG1 VAL A 8 -9.779 -0.806 -13.661 1.00 0.00 C ATOM 121 CG2 VAL A 8 -7.421 -1.103 -14.452 1.00 0.00 C ATOM 0 H VAL A 8 -7.983 -2.879 -12.810 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.109 -3.257 -14.589 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.168 -1.148 -15.671 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.645 0.274 -13.722 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.819 -1.055 -13.873 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.521 -1.148 -12.659 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.319 -0.019 -14.501 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.100 -1.454 -13.471 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.801 -1.561 -15.222 1.00 0.00 H new ATOM 131 N TRP A 9 -8.854 -3.190 -17.022 1.00 0.00 N ATOM 132 CA TRP A 9 -8.331 -3.704 -18.283 1.00 0.00 C ATOM 133 C TRP A 9 -8.321 -2.616 -19.352 1.00 0.00 C ATOM 134 O TRP A 9 -9.350 -2.003 -19.637 1.00 0.00 O ATOM 135 CB TRP A 9 -9.166 -4.894 -18.758 1.00 0.00 C ATOM 136 CG TRP A 9 -8.405 -5.843 -19.633 1.00 0.00 C ATOM 137 CD1 TRP A 9 -7.386 -6.670 -19.254 1.00 0.00 C ATOM 138 CD2 TRP A 9 -8.600 -6.060 -21.035 1.00 0.00 C ATOM 139 NE1 TRP A 9 -6.937 -7.388 -20.335 1.00 0.00 N ATOM 140 CE2 TRP A 9 -7.666 -7.034 -21.439 1.00 0.00 C ATOM 141 CE3 TRP A 9 -9.475 -5.530 -21.987 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -7.582 -7.484 -22.754 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -9.391 -5.977 -23.291 1.00 0.00 C ATOM 144 CH2 TRP A 9 -8.451 -6.947 -23.665 1.00 0.00 C ATOM 0 H TRP A 9 -9.570 -2.471 -17.124 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.305 -4.032 -18.115 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.542 -5.434 -17.889 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.034 -4.525 -19.304 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.992 -6.748 -18.252 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -6.182 -8.074 -20.318 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -10.204 -4.784 -21.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -6.857 -8.230 -23.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.061 -5.572 -24.035 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -8.412 -7.277 -24.692 1.00 0.00 H new ATOM 155 N ASP A 10 -7.152 -2.381 -19.939 1.00 0.00 N ATOM 156 CA ASP A 10 -7.009 -1.367 -20.978 1.00 0.00 C ATOM 157 C ASP A 10 -7.538 -0.019 -20.498 1.00 0.00 C ATOM 158 O ASP A 10 -8.359 0.610 -21.164 1.00 0.00 O ATOM 159 CB ASP A 10 -7.749 -1.797 -22.245 1.00 0.00 C ATOM 160 CG ASP A 10 -6.961 -2.802 -23.062 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.453 -3.779 -22.473 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.854 -2.613 -24.292 1.00 0.00 O ATOM 0 H ASP A 10 -6.291 -2.878 -19.713 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.948 -1.261 -21.204 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.711 -2.230 -21.971 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.957 -0.919 -22.857 1.00 0.00 H new ATOM 167 N GLY A 11 -7.061 0.419 -19.336 1.00 0.00 N ATOM 168 CA GLY A 11 -7.498 1.688 -18.786 1.00 0.00 C ATOM 169 C GLY A 11 -8.753 1.556 -17.948 1.00 0.00 C ATOM 170 O GLY A 11 -8.803 2.028 -16.812 1.00 0.00 O ATOM 0 H GLY A 11 -6.380 -0.083 -18.766 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.700 2.110 -18.175 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.681 2.389 -19.600 1.00 0.00 H new ATOM 174 N VAL A 12 -9.773 0.913 -18.509 1.00 0.00 N ATOM 175 CA VAL A 12 -11.035 0.720 -17.805 1.00 0.00 C ATOM 176 C VAL A 12 -11.727 -0.560 -18.260 1.00 0.00 C ATOM 177 O VAL A 12 -11.981 -0.752 -19.450 1.00 0.00 O ATOM 178 CB VAL A 12 -11.987 1.911 -18.023 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.461 3.151 -17.317 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.178 2.174 -19.509 1.00 0.00 C ATOM 0 H VAL A 12 -9.750 0.517 -19.449 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.798 0.644 -16.744 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.957 1.662 -17.593 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.147 3.982 -17.482 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.380 2.954 -16.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.479 3.407 -17.714 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.853 3.019 -19.645 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.215 2.403 -19.965 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.603 1.289 -19.983 1.00 0.00 H new ATOM 190 N TYR A 13 -12.032 -1.433 -17.306 1.00 0.00 N ATOM 191 CA TYR A 13 -12.694 -2.696 -17.608 1.00 0.00 C ATOM 192 C TYR A 13 -14.023 -2.458 -18.318 1.00 0.00 C ATOM 193 O TYR A 13 -14.807 -1.596 -17.919 1.00 0.00 O ATOM 194 CB TYR A 13 -12.924 -3.496 -16.325 1.00 0.00 C ATOM 195 CG TYR A 13 -13.564 -4.845 -16.558 1.00 0.00 C ATOM 196 CD1 TYR A 13 -13.063 -5.718 -17.515 1.00 0.00 C ATOM 197 CD2 TYR A 13 -14.671 -5.247 -15.821 1.00 0.00 C ATOM 198 CE1 TYR A 13 -13.645 -6.952 -17.733 1.00 0.00 C ATOM 199 CE2 TYR A 13 -15.260 -6.479 -16.030 1.00 0.00 C ATOM 200 CZ TYR A 13 -14.744 -7.328 -16.988 1.00 0.00 C ATOM 201 OH TYR A 13 -15.326 -8.556 -17.200 1.00 0.00 O ATOM 0 H TYR A 13 -11.831 -1.289 -16.316 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.045 -3.267 -18.272 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.969 -3.639 -15.820 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.556 -2.915 -15.653 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.203 -5.427 -18.099 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.078 -4.585 -15.071 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.242 -7.618 -18.482 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.119 -6.776 -15.447 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.088 -8.666 -16.593 1.00 0.00 H new ATOM 211 N ILE A 14 -14.270 -3.230 -19.371 1.00 0.00 N ATOM 212 CA ILE A 14 -15.505 -3.105 -20.136 1.00 0.00 C ATOM 213 C ILE A 14 -16.668 -3.780 -19.416 1.00 0.00 C ATOM 214 O ILE A 14 -16.823 -5.000 -19.474 1.00 0.00 O ATOM 215 CB ILE A 14 -15.361 -3.717 -21.541 1.00 0.00 C ATOM 216 CG1 ILE A 14 -14.242 -3.017 -22.314 1.00 0.00 C ATOM 217 CG2 ILE A 14 -16.677 -3.620 -22.299 1.00 0.00 C ATOM 218 CD1 ILE A 14 -12.872 -3.606 -22.060 1.00 0.00 C ATOM 0 H ILE A 14 -13.632 -3.948 -19.714 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.710 -2.039 -20.233 1.00 0.00 H new ATOM 0 HB ILE A 14 -15.101 -4.770 -21.437 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -14.460 -3.071 -23.381 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -14.230 -1.961 -22.044 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -16.559 -4.057 -23.291 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -17.451 -4.160 -21.754 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -16.965 -2.573 -22.396 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -12.128 -3.060 -22.641 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.633 -3.528 -20.999 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.866 -4.655 -22.357 1.00 0.00 H new ATOM 230 N ARG A 15 -17.483 -2.979 -18.739 1.00 0.00 N ATOM 231 CA ARG A 15 -18.633 -3.499 -18.008 1.00 0.00 C ATOM 232 C ARG A 15 -19.572 -4.258 -18.941 1.00 0.00 C ATOM 233 O ARG A 15 -19.772 -3.867 -20.090 1.00 0.00 O ATOM 234 CB ARG A 15 -19.388 -2.357 -17.325 1.00 0.00 C ATOM 235 CG ARG A 15 -19.656 -1.172 -18.238 1.00 0.00 C ATOM 236 CD ARG A 15 -20.928 -0.439 -17.840 1.00 0.00 C ATOM 237 NE ARG A 15 -21.480 0.339 -18.946 1.00 0.00 N ATOM 238 CZ ARG A 15 -20.997 1.516 -19.329 1.00 0.00 C ATOM 239 NH1 ARG A 15 -19.958 2.047 -18.698 1.00 0.00 N ATOM 240 NH2 ARG A 15 -21.553 2.164 -20.344 1.00 0.00 N ATOM 0 H ARG A 15 -17.369 -1.967 -18.681 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.268 -4.190 -17.248 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.338 -2.736 -16.947 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.814 -2.018 -16.463 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.811 -0.484 -18.201 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.741 -1.517 -19.268 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.670 -1.160 -17.498 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.717 0.223 -17.000 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.280 -0.042 -19.452 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.528 1.552 -17.917 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.589 2.951 -18.994 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -22.352 1.759 -20.831 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.181 3.068 -20.637 1.00 0.00 H new ATOM 254 N GLY A 16 -20.145 -5.347 -18.437 1.00 0.00 N ATOM 255 CA GLY A 16 -21.055 -6.144 -19.239 1.00 0.00 C ATOM 256 C GLY A 16 -20.449 -6.559 -20.564 1.00 0.00 C ATOM 257 O GLY A 16 -20.680 -5.916 -21.589 1.00 0.00 O ATOM 0 H GLY A 16 -19.995 -5.691 -17.489 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -21.342 -7.034 -18.680 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.966 -5.575 -19.422 1.00 0.00 H new ATOM 261 N ARG A 17 -19.669 -7.635 -20.546 1.00 0.00 N ATOM 262 CA ARG A 17 -19.025 -8.133 -21.755 1.00 0.00 C ATOM 263 C ARG A 17 -20.056 -8.708 -22.723 1.00 0.00 C ATOM 264 O ARG A 17 -20.620 -9.775 -22.481 1.00 0.00 O ATOM 265 CB ARG A 17 -17.988 -9.202 -21.404 1.00 0.00 C ATOM 266 CG ARG A 17 -17.268 -9.773 -22.614 1.00 0.00 C ATOM 267 CD ARG A 17 -16.214 -10.791 -22.207 1.00 0.00 C ATOM 268 NE ARG A 17 -15.381 -11.198 -23.335 1.00 0.00 N ATOM 269 CZ ARG A 17 -14.363 -10.480 -23.793 1.00 0.00 C ATOM 270 NH1 ARG A 17 -14.052 -9.324 -23.223 1.00 0.00 N ATOM 271 NH2 ARG A 17 -13.651 -10.918 -24.825 1.00 0.00 N ATOM 0 H ARG A 17 -19.468 -8.179 -19.707 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.523 -7.296 -22.240 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.253 -8.773 -20.723 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.482 -10.013 -20.869 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.991 -10.243 -23.280 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.797 -8.965 -23.174 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.584 -10.367 -21.425 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.702 -11.668 -21.782 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.593 -12.083 -23.796 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.596 -8.984 -22.430 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.269 -8.775 -23.578 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.886 -11.807 -25.266 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.869 -10.365 -25.176 1.00 0.00 H new TER 285 ARG A 17