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+ -146:sc= -0.0258 (180deg=-0.584) 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 1.515 0.206 0.111 1.00 0.00 N ATOM 2 CA LEU A 1 2.075 1.000 -0.976 1.00 0.00 C ATOM 3 C LEU A 1 1.270 0.812 -2.258 1.00 0.00 C ATOM 4 O LEU A 1 1.041 1.763 -3.005 1.00 0.00 O ATOM 5 CB LEU A 1 3.535 0.615 -1.216 1.00 0.00 C ATOM 6 CG LEU A 1 4.580 1.442 -0.466 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.773 0.907 0.944 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.901 1.446 -1.223 1.00 0.00 C ATOM 0 H1 LEU A 1 1.637 0.714 1.010 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.502 0.047 -0.062 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.006 -0.710 0.161 1.00 0.00 H new ATOM 0 HA LEU A 1 2.026 2.050 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.664 -0.432 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.739 0.691 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 1 4.221 2.469 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.520 1.508 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.828 0.957 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.109 -0.129 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.633 2.039 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.265 0.424 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.752 1.878 -2.213 1.00 0.00 H new ATOM 20 N GLY A 2 0.841 -0.422 -2.506 1.00 0.00 N ATOM 21 CA GLY A 2 0.064 -0.712 -3.697 1.00 0.00 C ATOM 22 C GLY A 2 -1.005 -1.757 -3.452 1.00 0.00 C ATOM 23 O GLY A 2 -0.997 -2.434 -2.424 1.00 0.00 O ATOM 0 H GLY A 2 1.018 -1.226 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.404 0.205 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.731 -1.057 -4.487 1.00 0.00 H new ATOM 27 N ARG A 3 -1.930 -1.889 -4.397 1.00 0.00 N ATOM 28 CA ARG A 3 -3.013 -2.857 -4.277 1.00 0.00 C ATOM 29 C ARG A 3 -2.746 -4.082 -5.147 1.00 0.00 C ATOM 30 O ARG A 3 -2.141 -3.979 -6.214 1.00 0.00 O ATOM 31 CB ARG A 3 -4.345 -2.217 -4.674 1.00 0.00 C ATOM 32 CG ARG A 3 -4.559 -0.836 -4.076 1.00 0.00 C ATOM 33 CD ARG A 3 -6.038 -0.513 -3.936 1.00 0.00 C ATOM 34 NE ARG A 3 -6.259 0.866 -3.507 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.448 1.458 -3.520 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.518 0.795 -3.937 1.00 0.00 N ATOM 37 NH2 ARG A 3 -7.568 2.716 -3.114 1.00 0.00 N ATOM 0 H ARG A 3 -1.951 -1.337 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.067 -3.176 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.394 -2.145 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.160 -2.870 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.080 -0.783 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.080 -0.087 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.537 -0.680 -4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.491 -1.194 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.456 1.404 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.429 -0.172 -4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.430 1.252 -3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.747 3.228 -2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.481 3.170 -3.124 1.00 0.00 H new ATOM 51 N VAL A 4 -3.201 -5.242 -4.683 1.00 0.00 N ATOM 52 CA VAL A 4 -3.012 -6.487 -5.418 1.00 0.00 C ATOM 53 C VAL A 4 -3.483 -6.349 -6.861 1.00 0.00 C ATOM 54 O VAL A 4 -2.762 -6.696 -7.796 1.00 0.00 O ATOM 55 CB VAL A 4 -3.767 -7.652 -4.752 1.00 0.00 C ATOM 56 CG1 VAL A 4 -3.583 -8.934 -5.550 1.00 0.00 C ATOM 57 CG2 VAL A 4 -3.301 -7.837 -3.315 1.00 0.00 C ATOM 0 H VAL A 4 -3.703 -5.345 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.944 -6.703 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.830 -7.411 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.124 -9.746 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.970 -8.793 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.523 -9.183 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.845 -8.664 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.233 -8.055 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.491 -6.924 -2.751 1.00 0.00 H new ATOM 67 N ASP A 5 -4.698 -5.841 -7.035 1.00 0.00 N ATOM 68 CA ASP A 5 -5.266 -5.656 -8.365 1.00 0.00 C ATOM 69 C ASP A 5 -6.338 -4.570 -8.352 1.00 0.00 C ATOM 70 O ASP A 5 -6.667 -4.021 -7.300 1.00 0.00 O ATOM 71 CB ASP A 5 -5.860 -6.969 -8.877 1.00 0.00 C ATOM 72 CG ASP A 5 -7.093 -7.388 -8.101 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.124 -7.168 -6.873 1.00 0.00 O ATOM 74 OD2 ASP A 5 -8.027 -7.938 -8.722 1.00 0.00 O ATOM 0 H ASP A 5 -5.309 -5.550 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.465 -5.343 -9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.117 -6.862 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.108 -7.755 -8.810 1.00 0.00 H new ATOM 79 N ILE A 6 -6.877 -4.264 -9.527 1.00 0.00 N ATOM 80 CA ILE A 6 -7.912 -3.244 -9.651 1.00 0.00 C ATOM 81 C ILE A 6 -9.228 -3.851 -10.124 1.00 0.00 C ATOM 82 O ILE A 6 -9.241 -4.857 -10.835 1.00 0.00 O ATOM 83 CB ILE A 6 -7.491 -2.131 -10.628 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.068 -1.661 -10.318 1.00 0.00 C ATOM 85 CG2 ILE A 6 -8.466 -0.966 -10.556 1.00 0.00 C ATOM 86 CD1 ILE A 6 -5.888 -1.172 -8.898 1.00 0.00 C ATOM 0 H ILE A 6 -6.614 -4.708 -10.407 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.050 -2.812 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.509 -2.532 -11.641 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.375 -2.482 -10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.801 -0.859 -11.006 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.155 -0.187 -11.252 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.465 -1.311 -10.821 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.478 -0.563 -9.543 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.856 -0.855 -8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.556 -0.330 -8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.123 -1.978 -8.203 1.00 0.00 H new ATOM 98 N HIS A 7 -10.335 -3.231 -9.728 1.00 0.00 N ATOM 99 CA HIS A 7 -11.658 -3.708 -10.115 1.00 0.00 C ATOM 100 C HIS A 7 -11.767 -3.839 -11.631 1.00 0.00 C ATOM 101 O HIS A 7 -12.154 -4.887 -12.147 1.00 0.00 O ATOM 102 CB HIS A 7 -12.738 -2.759 -9.594 1.00 0.00 C ATOM 103 CG HIS A 7 -14.080 -3.405 -9.439 1.00 0.00 C ATOM 104 ND1 HIS A 7 -15.143 -3.144 -10.278 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.529 -4.308 -8.537 1.00 0.00 C ATOM 106 CE1 HIS A 7 -16.188 -3.857 -9.897 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.841 -4.572 -8.842 1.00 0.00 N ATOM 0 H HIS A 7 -10.342 -2.398 -9.140 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.806 -4.693 -9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.424 -2.358 -8.630 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.828 -1.914 -10.277 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.960 -4.741 -7.727 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.160 -3.855 -10.368 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.449 -5.216 -8.336 1.00 0.00 H new ATOM 115 N VAL A 8 -11.424 -2.768 -12.339 1.00 0.00 N ATOM 116 CA VAL A 8 -11.483 -2.763 -13.796 1.00 0.00 C ATOM 117 C VAL A 8 -10.436 -3.698 -14.391 1.00 0.00 C ATOM 118 O VAL A 8 -9.716 -4.383 -13.664 1.00 0.00 O ATOM 119 CB VAL A 8 -11.270 -1.346 -14.362 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.395 -0.422 -13.922 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.919 -0.798 -13.930 1.00 0.00 C ATOM 0 H VAL A 8 -11.102 -1.892 -11.927 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.478 -3.111 -14.074 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.282 -1.402 -15.451 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.228 0.575 -14.331 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.347 -0.809 -14.286 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.417 -0.369 -12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.785 0.204 -14.339 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.875 -0.755 -12.842 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.127 -1.449 -14.300 1.00 0.00 H new ATOM 131 N TRP A 9 -10.357 -3.722 -15.716 1.00 0.00 N ATOM 132 CA TRP A 9 -9.398 -4.573 -16.410 1.00 0.00 C ATOM 133 C TRP A 9 -8.526 -3.754 -17.355 1.00 0.00 C ATOM 134 O TRP A 9 -9.034 -3.038 -18.218 1.00 0.00 O ATOM 135 CB TRP A 9 -10.127 -5.669 -17.189 1.00 0.00 C ATOM 136 CG TRP A 9 -10.601 -6.798 -16.324 1.00 0.00 C ATOM 137 CD1 TRP A 9 -11.896 -7.154 -16.078 1.00 0.00 C ATOM 138 CD2 TRP A 9 -9.784 -7.717 -15.590 1.00 0.00 C ATOM 139 NE1 TRP A 9 -11.933 -8.238 -15.235 1.00 0.00 N ATOM 140 CE2 TRP A 9 -10.651 -8.603 -14.922 1.00 0.00 C ATOM 141 CE3 TRP A 9 -8.404 -7.878 -15.434 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -10.181 -9.633 -14.111 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -7.940 -8.900 -14.629 1.00 0.00 C ATOM 144 CH2 TRP A 9 -8.826 -9.768 -13.976 1.00 0.00 C ATOM 0 H TRP A 9 -10.946 -3.161 -16.332 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.754 -5.036 -15.662 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.982 -5.231 -17.704 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.461 -6.064 -17.956 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.763 -6.657 -16.486 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.779 -8.697 -14.897 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.713 -7.215 -15.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.862 -10.302 -13.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -6.876 -9.033 -14.500 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -8.432 -10.558 -13.355 1.00 0.00 H new ATOM 155 N ASP A 10 -7.213 -3.864 -17.188 1.00 0.00 N ATOM 156 CA ASP A 10 -6.271 -3.134 -18.028 1.00 0.00 C ATOM 157 C ASP A 10 -6.545 -1.634 -17.974 1.00 0.00 C ATOM 158 O ASP A 10 -6.310 -0.915 -18.944 1.00 0.00 O ATOM 159 CB ASP A 10 -6.354 -3.628 -19.473 1.00 0.00 C ATOM 160 CG ASP A 10 -5.563 -4.903 -19.695 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.378 -4.942 -19.302 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.130 -5.861 -20.260 1.00 0.00 O ATOM 0 H ASP A 10 -6.776 -4.452 -16.478 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.266 -3.316 -17.647 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.398 -3.801 -19.736 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.982 -2.852 -20.141 1.00 0.00 H new ATOM 167 N GLY A 11 -7.045 -1.169 -16.833 1.00 0.00 N ATOM 168 CA GLY A 11 -7.344 0.242 -16.675 1.00 0.00 C ATOM 169 C GLY A 11 -8.540 0.677 -17.499 1.00 0.00 C ATOM 170 O GLY A 11 -8.705 1.863 -17.788 1.00 0.00 O ATOM 0 H GLY A 11 -7.248 -1.744 -16.016 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.535 0.454 -15.623 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.473 0.830 -16.966 1.00 0.00 H new ATOM 174 N VAL A 12 -9.375 -0.283 -17.881 1.00 0.00 N ATOM 175 CA VAL A 12 -10.561 0.007 -18.677 1.00 0.00 C ATOM 176 C VAL A 12 -11.684 -0.979 -18.371 1.00 0.00 C ATOM 177 O VAL A 12 -11.486 -2.193 -18.410 1.00 0.00 O ATOM 178 CB VAL A 12 -10.250 -0.040 -20.185 1.00 0.00 C ATOM 179 CG1 VAL A 12 -9.389 1.147 -20.589 1.00 0.00 C ATOM 180 CG2 VAL A 12 -9.570 -1.351 -20.548 1.00 0.00 C ATOM 0 H VAL A 12 -9.252 -1.269 -17.652 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.882 1.014 -18.410 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.189 0.019 -20.735 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.179 1.097 -21.657 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.918 2.073 -20.366 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.451 1.122 -20.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.358 -1.367 -21.617 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.637 -1.443 -19.991 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.227 -2.184 -20.296 1.00 0.00 H new ATOM 190 N TYR A 13 -12.862 -0.448 -18.066 1.00 0.00 N ATOM 191 CA TYR A 13 -14.017 -1.280 -17.750 1.00 0.00 C ATOM 192 C TYR A 13 -14.445 -2.101 -18.963 1.00 0.00 C ATOM 193 O TYR A 13 -14.521 -1.586 -20.079 1.00 0.00 O ATOM 194 CB TYR A 13 -15.182 -0.413 -17.270 1.00 0.00 C ATOM 195 CG TYR A 13 -15.784 0.448 -18.358 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.271 1.708 -18.639 1.00 0.00 C ATOM 197 CD2 TYR A 13 -16.866 0.000 -19.106 1.00 0.00 C ATOM 198 CE1 TYR A 13 -15.818 2.497 -19.631 1.00 0.00 C ATOM 199 CE2 TYR A 13 -17.420 0.782 -20.101 1.00 0.00 C ATOM 200 CZ TYR A 13 -16.892 2.030 -20.360 1.00 0.00 C ATOM 201 OH TYR A 13 -17.440 2.813 -21.350 1.00 0.00 O ATOM 0 H TYR A 13 -13.043 0.555 -18.031 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.731 -1.965 -16.952 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.958 -1.058 -16.857 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.837 0.229 -16.460 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.429 2.077 -18.071 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -17.281 -0.977 -18.906 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.407 3.475 -19.835 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.261 0.419 -20.673 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.188 2.337 -21.768 1.00 0.00 H new ATOM 211 N ILE A 14 -14.724 -3.380 -18.735 1.00 0.00 N ATOM 212 CA ILE A 14 -15.146 -4.272 -19.808 1.00 0.00 C ATOM 213 C ILE A 14 -16.543 -4.825 -19.546 1.00 0.00 C ATOM 214 O ILE A 14 -16.841 -5.287 -18.444 1.00 0.00 O ATOM 215 CB ILE A 14 -14.165 -5.446 -19.983 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.736 -4.925 -20.147 1.00 0.00 C ATOM 217 CG2 ILE A 14 -14.565 -6.297 -21.179 1.00 0.00 C ATOM 218 CD1 ILE A 14 -12.564 -3.993 -21.326 1.00 0.00 C ATOM 0 H ILE A 14 -14.665 -3.822 -17.817 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.158 -3.681 -20.723 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.204 -6.069 -19.089 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.441 -4.404 -19.236 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.060 -5.772 -20.262 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -13.862 -7.123 -21.289 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.569 -6.693 -21.024 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -14.551 -5.686 -22.081 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.527 -3.663 -21.381 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.827 -4.517 -22.245 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -13.214 -3.127 -21.203 1.00 0.00 H new ATOM 230 N ARG A 15 -17.394 -4.776 -20.565 1.00 0.00 N ATOM 231 CA ARG A 15 -18.759 -5.273 -20.445 1.00 0.00 C ATOM 232 C ARG A 15 -19.283 -5.754 -21.795 1.00 0.00 C ATOM 233 O ARG A 15 -19.195 -5.044 -22.795 1.00 0.00 O ATOM 234 CB ARG A 15 -19.675 -4.181 -19.890 1.00 0.00 C ATOM 235 CG ARG A 15 -21.141 -4.580 -19.845 1.00 0.00 C ATOM 236 CD ARG A 15 -21.951 -3.630 -18.977 1.00 0.00 C ATOM 237 NE ARG A 15 -23.261 -4.179 -18.639 1.00 0.00 N ATOM 238 CZ ARG A 15 -24.297 -4.174 -19.470 1.00 0.00 C ATOM 239 NH1 ARG A 15 -24.176 -3.651 -20.682 1.00 0.00 N ATOM 240 NH2 ARG A 15 -25.457 -4.693 -19.089 1.00 0.00 N ATOM 0 H ARG A 15 -17.162 -4.397 -21.483 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.752 -6.117 -19.755 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.347 -3.920 -18.884 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.570 -3.285 -20.502 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.548 -4.587 -20.856 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -21.231 -5.595 -19.458 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.400 -3.417 -18.061 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -22.079 -2.682 -19.499 1.00 0.00 H new ATOM 0 HE ARG A 15 -23.387 -4.589 -17.714 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -23.286 -3.251 -20.978 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -24.973 -3.648 -21.318 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -25.554 -5.096 -18.157 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -26.252 -4.689 -19.728 1.00 0.00 H new ATOM 254 N GLY A 16 -19.830 -6.966 -21.814 1.00 0.00 N ATOM 255 CA GLY A 16 -20.359 -7.521 -23.046 1.00 0.00 C ATOM 256 C GLY A 16 -19.324 -7.569 -24.153 1.00 0.00 C ATOM 257 O GLY A 16 -18.429 -8.414 -24.138 1.00 0.00 O ATOM 0 H GLY A 16 -19.916 -7.573 -20.999 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.731 -8.528 -22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.210 -6.924 -23.374 1.00 0.00 H new ATOM 261 N ARG A 17 -19.448 -6.661 -25.115 1.00 0.00 N ATOM 262 CA ARG A 17 -18.517 -6.605 -26.236 1.00 0.00 C ATOM 263 C ARG A 17 -17.141 -6.133 -25.777 1.00 0.00 C ATOM 264 O ARG A 17 -16.180 -6.902 -25.772 1.00 0.00 O ATOM 265 CB ARG A 17 -19.052 -5.672 -27.324 1.00 0.00 C ATOM 266 CG ARG A 17 -18.310 -5.790 -28.646 1.00 0.00 C ATOM 267 CD ARG A 17 -19.213 -5.455 -29.823 1.00 0.00 C ATOM 268 NE ARG A 17 -18.780 -6.117 -31.051 1.00 0.00 N ATOM 269 CZ ARG A 17 -19.505 -6.150 -32.163 1.00 0.00 C ATOM 270 NH1 ARG A 17 -20.692 -5.562 -32.202 1.00 0.00 N ATOM 271 NH2 ARG A 17 -19.043 -6.773 -33.240 1.00 0.00 N ATOM 0 H ARG A 17 -20.183 -5.954 -25.141 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.419 -7.611 -26.645 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -20.108 -5.888 -27.489 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.988 -4.642 -26.972 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.450 -5.120 -28.643 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.924 -6.803 -28.759 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.236 -5.753 -29.592 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.223 -4.376 -29.977 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.871 -6.579 -31.055 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -21.051 -5.082 -31.376 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.247 -5.589 -33.058 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.130 -7.227 -33.214 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.601 -6.798 -34.094 1.00 0.00 H new TER 285 ARG A 17