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+ -140:sc= -0.299 (180deg=-2.08!) 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 3.280 -5.459 -5.259 1.00 0.00 N ATOM 2 CA LEU A 1 2.099 -5.431 -4.403 1.00 0.00 C ATOM 3 C LEU A 1 0.854 -5.068 -5.206 1.00 0.00 C ATOM 4 O LEU A 1 0.478 -3.900 -5.293 1.00 0.00 O ATOM 5 CB LEU A 1 2.294 -4.432 -3.262 1.00 0.00 C ATOM 6 CG LEU A 1 3.120 -4.923 -2.073 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.606 -4.828 -2.380 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.780 -4.126 -0.822 1.00 0.00 C ATOM 0 H1 LEU A 1 3.884 -6.262 -4.991 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.987 -5.562 -6.252 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.812 -4.573 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 1 1.961 -6.428 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.771 -3.539 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.312 -4.132 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 1 2.874 -5.969 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.178 -5.182 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.838 -5.443 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.869 -3.791 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.377 -4.489 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.997 -3.072 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.722 -4.246 -0.591 1.00 0.00 H new ATOM 20 N GLY A 2 0.216 -6.078 -5.791 1.00 0.00 N ATOM 21 CA GLY A 2 -0.981 -5.844 -6.577 1.00 0.00 C ATOM 22 C GLY A 2 -2.069 -5.150 -5.783 1.00 0.00 C ATOM 23 O GLY A 2 -1.992 -5.060 -4.558 1.00 0.00 O ATOM 0 H GLY A 2 0.507 -7.054 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.728 -5.238 -7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.359 -6.796 -6.950 1.00 0.00 H new ATOM 27 N ARG A 3 -3.086 -4.655 -6.482 1.00 0.00 N ATOM 28 CA ARG A 3 -4.193 -3.963 -5.835 1.00 0.00 C ATOM 29 C ARG A 3 -5.409 -4.876 -5.713 1.00 0.00 C ATOM 30 O ARG A 3 -5.641 -5.735 -6.564 1.00 0.00 O ATOM 31 CB ARG A 3 -4.565 -2.704 -6.621 1.00 0.00 C ATOM 32 CG ARG A 3 -3.364 -1.871 -7.040 1.00 0.00 C ATOM 33 CD ARG A 3 -2.838 -2.298 -8.402 1.00 0.00 C ATOM 34 NE ARG A 3 -2.129 -1.215 -9.078 1.00 0.00 N ATOM 35 CZ ARG A 3 -1.332 -1.399 -10.124 1.00 0.00 C ATOM 36 NH1 ARG A 3 -1.143 -2.618 -10.612 1.00 0.00 N ATOM 37 NH2 ARG A 3 -0.722 -0.363 -10.686 1.00 0.00 N ATOM 0 H ARG A 3 -3.165 -4.721 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.873 -3.677 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.124 -2.993 -7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.229 -2.089 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.643 -0.818 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.574 -1.970 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.169 -3.150 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.669 -2.631 -9.024 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.253 -0.265 -8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.610 -3.417 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.530 -2.756 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.865 0.576 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.110 -0.506 -11.489 1.00 0.00 H new ATOM 51 N VAL A 4 -6.183 -4.685 -4.649 1.00 0.00 N ATOM 52 CA VAL A 4 -7.375 -5.491 -4.416 1.00 0.00 C ATOM 53 C VAL A 4 -8.412 -5.268 -5.511 1.00 0.00 C ATOM 54 O VAL A 4 -8.716 -6.175 -6.286 1.00 0.00 O ATOM 55 CB VAL A 4 -8.011 -5.171 -3.050 1.00 0.00 C ATOM 56 CG1 VAL A 4 -9.171 -6.113 -2.767 1.00 0.00 C ATOM 57 CG2 VAL A 4 -6.967 -5.250 -1.946 1.00 0.00 C ATOM 0 H VAL A 4 -6.005 -3.979 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.058 -6.534 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.400 -4.153 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.608 -5.872 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.928 -6.002 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.810 -7.142 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.433 -5.021 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.546 -6.255 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.173 -4.530 -2.144 1.00 0.00 H new ATOM 67 N ASP A 5 -8.951 -4.056 -5.570 1.00 0.00 N ATOM 68 CA ASP A 5 -9.953 -3.712 -6.572 1.00 0.00 C ATOM 69 C ASP A 5 -9.512 -2.502 -7.389 1.00 0.00 C ATOM 70 O ASP A 5 -8.935 -1.555 -6.853 1.00 0.00 O ATOM 71 CB ASP A 5 -11.298 -3.428 -5.902 1.00 0.00 C ATOM 72 CG ASP A 5 -12.136 -4.680 -5.730 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.548 -5.775 -5.612 1.00 0.00 O ATOM 74 OD2 ASP A 5 -13.379 -4.564 -5.715 1.00 0.00 O ATOM 0 H ASP A 5 -8.711 -3.294 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.064 -4.562 -7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.126 -2.973 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.852 -2.703 -6.499 1.00 0.00 H new ATOM 79 N ILE A 6 -9.787 -2.540 -8.689 1.00 0.00 N ATOM 80 CA ILE A 6 -9.418 -1.446 -9.579 1.00 0.00 C ATOM 81 C ILE A 6 -10.641 -0.886 -10.298 1.00 0.00 C ATOM 82 O ILE A 6 -11.452 -1.636 -10.842 1.00 0.00 O ATOM 83 CB ILE A 6 -8.384 -1.898 -10.627 1.00 0.00 C ATOM 84 CG1 ILE A 6 -7.151 -2.487 -9.938 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.990 -0.731 -11.520 1.00 0.00 C ATOM 86 CD1 ILE A 6 -7.249 -3.977 -9.694 1.00 0.00 C ATOM 0 H ILE A 6 -10.264 -3.316 -9.149 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.977 -0.668 -8.956 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.834 -2.671 -11.249 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.272 -2.284 -10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.000 -1.980 -8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.259 -1.066 -12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.873 -0.351 -12.034 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.555 0.062 -10.912 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.341 -4.326 -9.203 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.109 -4.186 -9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.368 -4.494 -10.646 1.00 0.00 H new ATOM 98 N HIS A 7 -10.767 0.437 -10.296 1.00 0.00 N ATOM 99 CA HIS A 7 -11.891 1.099 -10.950 1.00 0.00 C ATOM 100 C HIS A 7 -11.922 0.770 -12.440 1.00 0.00 C ATOM 101 O HIS A 7 -12.888 0.191 -12.938 1.00 0.00 O ATOM 102 CB HIS A 7 -11.804 2.612 -10.751 1.00 0.00 C ATOM 103 CG HIS A 7 -13.109 3.241 -10.371 1.00 0.00 C ATOM 104 ND1 HIS A 7 -13.393 3.672 -9.092 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.209 3.514 -11.110 1.00 0.00 C ATOM 106 CE1 HIS A 7 -14.611 4.180 -9.060 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.129 4.097 -10.273 1.00 0.00 N ATOM 0 H HIS A 7 -10.105 1.072 -9.849 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.812 0.733 -10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.067 2.827 -9.977 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.443 3.071 -11.671 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.339 3.311 -12.163 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.101 4.593 -8.191 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.060 4.414 -10.544 1.00 0.00 H new ATOM 115 N VAL A 8 -10.860 1.145 -13.146 1.00 0.00 N ATOM 116 CA VAL A 8 -10.766 0.890 -14.579 1.00 0.00 C ATOM 117 C VAL A 8 -9.421 0.270 -14.939 1.00 0.00 C ATOM 118 O VAL A 8 -8.399 0.582 -14.329 1.00 0.00 O ATOM 119 CB VAL A 8 -10.958 2.183 -15.393 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.382 2.697 -15.251 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.955 3.240 -14.956 1.00 0.00 C ATOM 0 H VAL A 8 -10.053 1.626 -12.749 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.564 0.191 -14.829 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.782 1.959 -16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.499 3.611 -15.833 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.079 1.943 -15.616 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.590 2.906 -14.202 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.104 4.147 -15.541 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.098 3.462 -13.899 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.943 2.869 -15.115 1.00 0.00 H new ATOM 131 N TRP A 9 -9.430 -0.609 -15.935 1.00 0.00 N ATOM 132 CA TRP A 9 -8.209 -1.274 -16.378 1.00 0.00 C ATOM 133 C TRP A 9 -7.812 -0.809 -17.775 1.00 0.00 C ATOM 134 O TRP A 9 -8.558 -0.997 -18.736 1.00 0.00 O ATOM 135 CB TRP A 9 -8.397 -2.792 -16.366 1.00 0.00 C ATOM 136 CG TRP A 9 -7.107 -3.549 -16.279 1.00 0.00 C ATOM 137 CD1 TRP A 9 -6.438 -3.903 -15.142 1.00 0.00 C ATOM 138 CD2 TRP A 9 -6.329 -4.044 -17.375 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.292 -4.588 -15.464 1.00 0.00 N ATOM 140 CE2 TRP A 9 -5.202 -4.689 -16.828 1.00 0.00 C ATOM 141 CE3 TRP A 9 -6.475 -4.008 -18.764 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -4.230 -5.290 -17.622 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -5.509 -4.604 -19.551 1.00 0.00 C ATOM 144 CH2 TRP A 9 -4.398 -5.239 -18.979 1.00 0.00 C ATOM 0 H TRP A 9 -10.268 -0.878 -16.451 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.409 -1.009 -15.686 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.029 -3.066 -15.521 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.926 -3.093 -17.270 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.763 -3.677 -14.137 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.617 -4.961 -14.796 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.328 -3.523 -19.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.373 -5.779 -17.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.611 -4.580 -20.626 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -3.660 -5.697 -19.622 1.00 0.00 H new ATOM 155 N ASP A 10 -6.635 -0.203 -17.880 1.00 0.00 N ATOM 156 CA ASP A 10 -6.139 0.287 -19.161 1.00 0.00 C ATOM 157 C ASP A 10 -7.159 1.209 -19.822 1.00 0.00 C ATOM 158 O ASP A 10 -7.374 1.148 -21.032 1.00 0.00 O ATOM 159 CB ASP A 10 -5.815 -0.885 -20.089 1.00 0.00 C ATOM 160 CG ASP A 10 -4.537 -1.599 -19.695 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.303 -1.769 -18.481 1.00 0.00 O ATOM 162 OD2 ASP A 10 -3.771 -1.987 -20.602 1.00 0.00 O ATOM 0 H ASP A 10 -6.006 -0.039 -17.094 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.228 0.856 -18.976 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.643 -1.594 -20.076 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.723 -0.520 -21.112 1.00 0.00 H new ATOM 167 N GLY A 11 -7.787 2.062 -19.018 1.00 0.00 N ATOM 168 CA GLY A 11 -8.778 2.983 -19.543 1.00 0.00 C ATOM 169 C GLY A 11 -10.194 2.579 -19.181 1.00 0.00 C ATOM 170 O GLY A 11 -10.975 3.396 -18.693 1.00 0.00 O ATOM 0 H GLY A 11 -7.627 2.131 -18.013 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.579 3.983 -19.159 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.684 3.034 -20.628 1.00 0.00 H new ATOM 174 N VAL A 12 -10.527 1.315 -19.421 1.00 0.00 N ATOM 175 CA VAL A 12 -11.858 0.804 -19.118 1.00 0.00 C ATOM 176 C VAL A 12 -11.797 -0.644 -18.646 1.00 0.00 C ATOM 177 O VAL A 12 -11.094 -1.470 -19.230 1.00 0.00 O ATOM 178 CB VAL A 12 -12.786 0.893 -20.344 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.974 2.342 -20.767 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.234 0.062 -21.492 1.00 0.00 C ATOM 0 H VAL A 12 -9.893 0.626 -19.825 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.261 1.427 -18.320 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.761 0.490 -20.070 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.632 2.385 -21.635 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.417 2.906 -19.946 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.007 2.775 -21.024 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.903 0.137 -22.350 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.247 0.433 -21.768 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.156 -0.980 -21.182 1.00 0.00 H new ATOM 190 N TYR A 13 -12.537 -0.947 -17.585 1.00 0.00 N ATOM 191 CA TYR A 13 -12.566 -2.296 -17.033 1.00 0.00 C ATOM 192 C TYR A 13 -13.228 -3.268 -18.004 1.00 0.00 C ATOM 193 O TYR A 13 -14.377 -3.078 -18.404 1.00 0.00 O ATOM 194 CB TYR A 13 -13.310 -2.306 -15.696 1.00 0.00 C ATOM 195 CG TYR A 13 -13.095 -3.569 -14.893 1.00 0.00 C ATOM 196 CD1 TYR A 13 -13.795 -4.732 -15.191 1.00 0.00 C ATOM 197 CD2 TYR A 13 -12.194 -3.599 -13.837 1.00 0.00 C ATOM 198 CE1 TYR A 13 -13.602 -5.888 -14.460 1.00 0.00 C ATOM 199 CE2 TYR A 13 -11.994 -4.751 -13.101 1.00 0.00 C ATOM 200 CZ TYR A 13 -12.700 -5.893 -13.416 1.00 0.00 C ATOM 201 OH TYR A 13 -12.505 -7.042 -12.685 1.00 0.00 O ATOM 0 H TYR A 13 -13.125 -0.276 -17.090 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.537 -2.618 -16.871 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.987 -1.450 -15.104 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.377 -2.181 -15.882 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.502 -4.732 -16.008 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.640 -2.706 -13.587 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.154 -6.783 -14.704 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.288 -4.757 -12.283 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.837 -6.877 -11.988 1.00 0.00 H new ATOM 211 N ILE A 14 -12.495 -4.311 -18.378 1.00 0.00 N ATOM 212 CA ILE A 14 -13.010 -5.315 -19.301 1.00 0.00 C ATOM 213 C ILE A 14 -13.953 -6.281 -18.591 1.00 0.00 C ATOM 214 O ILE A 14 -13.512 -7.212 -17.917 1.00 0.00 O ATOM 215 CB ILE A 14 -11.869 -6.116 -19.955 1.00 0.00 C ATOM 216 CG1 ILE A 14 -10.938 -5.181 -20.730 1.00 0.00 C ATOM 217 CG2 ILE A 14 -12.435 -7.189 -20.874 1.00 0.00 C ATOM 218 CD1 ILE A 14 -9.846 -4.573 -19.877 1.00 0.00 C ATOM 0 H ILE A 14 -11.543 -4.483 -18.056 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.558 -4.780 -20.077 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.291 -6.604 -19.170 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.481 -5.734 -21.551 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.529 -4.380 -21.175 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.617 -7.747 -21.329 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.061 -7.869 -20.297 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.033 -6.720 -21.655 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.224 -3.922 -20.492 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.295 -3.992 -19.071 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.231 -5.367 -19.453 1.00 0.00 H new ATOM 230 N ARG A 15 -15.253 -6.054 -18.750 1.00 0.00 N ATOM 231 CA ARG A 15 -16.258 -6.905 -18.126 1.00 0.00 C ATOM 232 C ARG A 15 -16.444 -8.197 -18.916 1.00 0.00 C ATOM 233 O ARG A 15 -16.496 -8.183 -20.145 1.00 0.00 O ATOM 234 CB ARG A 15 -17.592 -6.162 -18.021 1.00 0.00 C ATOM 235 CG ARG A 15 -17.857 -5.578 -16.643 1.00 0.00 C ATOM 236 CD ARG A 15 -18.071 -6.670 -15.607 1.00 0.00 C ATOM 237 NE ARG A 15 -19.290 -6.458 -14.831 1.00 0.00 N ATOM 238 CZ ARG A 15 -20.507 -6.735 -15.285 1.00 0.00 C ATOM 239 NH1 ARG A 15 -20.667 -7.232 -16.504 1.00 0.00 N ATOM 240 NH2 ARG A 15 -21.568 -6.514 -14.520 1.00 0.00 N ATOM 0 H ARG A 15 -15.634 -5.288 -19.305 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.911 -7.159 -17.124 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.609 -5.358 -18.757 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.401 -6.846 -18.278 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.017 -4.951 -16.344 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.736 -4.935 -16.682 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.123 -7.638 -16.106 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.214 -6.704 -14.934 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.202 -6.076 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.854 -7.403 -17.096 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.603 -7.444 -16.850 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.450 -6.131 -13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.502 -6.727 -14.870 1.00 0.00 H new ATOM 254 N GLY A 16 -16.543 -9.314 -18.200 1.00 0.00 N ATOM 255 CA GLY A 16 -16.721 -10.598 -18.851 1.00 0.00 C ATOM 256 C GLY A 16 -15.590 -10.927 -19.805 1.00 0.00 C ATOM 257 O GLY A 16 -14.498 -11.301 -19.377 1.00 0.00 O ATOM 0 H GLY A 16 -16.503 -9.352 -17.181 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -16.792 -11.379 -18.094 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.664 -10.597 -19.397 1.00 0.00 H new ATOM 261 N ARG A 17 -15.852 -10.790 -21.100 1.00 0.00 N ATOM 262 CA ARG A 17 -14.848 -11.077 -22.117 1.00 0.00 C ATOM 263 C ARG A 17 -13.929 -9.878 -22.330 1.00 0.00 C ATOM 264 O ARG A 17 -12.759 -9.904 -21.948 1.00 0.00 O ATOM 265 CB ARG A 17 -15.522 -11.457 -23.437 1.00 0.00 C ATOM 266 CG ARG A 17 -14.649 -12.308 -24.344 1.00 0.00 C ATOM 267 CD ARG A 17 -13.790 -11.448 -25.258 1.00 0.00 C ATOM 268 NE ARG A 17 -12.504 -11.119 -24.651 1.00 0.00 N ATOM 269 CZ ARG A 17 -11.699 -10.164 -25.105 1.00 0.00 C ATOM 270 NH1 ARG A 17 -12.047 -9.449 -26.165 1.00 0.00 N ATOM 271 NH2 ARG A 17 -10.545 -9.924 -24.497 1.00 0.00 N ATOM 0 H ARG A 17 -16.751 -10.482 -21.470 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.246 -11.916 -21.769 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.444 -11.998 -23.222 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.803 -10.547 -23.967 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.009 -12.949 -23.738 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.278 -12.964 -24.946 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.623 -11.973 -26.198 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.324 -10.528 -25.497 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.207 -11.651 -23.833 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.934 -9.631 -26.634 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.428 -8.716 -26.512 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.275 -10.473 -23.681 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.928 -9.191 -24.846 1.00 0.00 H new TER 285 ARG A 17