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+ 171:sc= -0.904 (180deg=-0.979) USER MOD Single : A 7 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.45) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.328 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 1 2.094 0.000 -1.242 1.00 0.00 C ATOM 3 C LEU A 1 1.544 -1.034 -2.220 1.00 0.00 C ATOM 4 O LEU A 1 1.645 -0.869 -3.435 1.00 0.00 O ATOM 5 CB LEU A 1 3.569 -0.287 -0.955 1.00 0.00 C ATOM 6 CG LEU A 1 3.864 -1.569 -0.176 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.961 -2.757 -1.121 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.146 -1.420 0.629 1.00 0.00 C ATOM 0 H1 LEU A 1 1.808 0.597 0.704 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.375 0.375 -0.180 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.255 -0.972 0.363 1.00 0.00 H new ATOM 0 HA LEU A 1 2.004 0.987 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.101 -0.332 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.981 0.555 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 1 3.042 -1.748 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.171 -3.661 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.018 -2.876 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.764 -2.587 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.341 -2.342 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.978 -1.217 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.040 -0.595 1.333 1.00 0.00 H new ATOM 20 N GLY A 2 0.959 -2.099 -1.681 1.00 0.00 N ATOM 21 CA GLY A 2 0.399 -3.143 -2.520 1.00 0.00 C ATOM 22 C GLY A 2 -1.109 -3.044 -2.640 1.00 0.00 C ATOM 23 O GLY A 2 -1.757 -2.355 -1.852 1.00 0.00 O ATOM 0 H GLY A 2 0.863 -2.258 -0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.844 -3.084 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.665 -4.117 -2.109 1.00 0.00 H new ATOM 27 N ARG A 3 -1.668 -3.735 -3.628 1.00 0.00 N ATOM 28 CA ARG A 3 -3.109 -3.720 -3.849 1.00 0.00 C ATOM 29 C ARG A 3 -3.616 -5.109 -4.224 1.00 0.00 C ATOM 30 O ARG A 3 -2.829 -6.030 -4.444 1.00 0.00 O ATOM 31 CB ARG A 3 -3.467 -2.720 -4.951 1.00 0.00 C ATOM 32 CG ARG A 3 -2.783 -1.372 -4.796 1.00 0.00 C ATOM 33 CD ARG A 3 -3.267 -0.378 -5.840 1.00 0.00 C ATOM 34 NE ARG A 3 -2.524 -0.494 -7.092 1.00 0.00 N ATOM 35 CZ ARG A 3 -2.837 0.174 -8.197 1.00 0.00 C ATOM 36 NH1 ARG A 3 -3.873 1.002 -8.204 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.113 0.014 -9.297 1.00 0.00 N ATOM 0 H ARG A 3 -1.146 -4.312 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.591 -3.415 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.197 -3.146 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.547 -2.571 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.977 -0.977 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.704 -1.498 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.328 -0.541 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.165 0.635 -5.451 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.721 -1.122 -7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.432 1.127 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.111 1.514 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.316 -0.622 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.354 0.527 -10.145 1.00 0.00 H new ATOM 51 N VAL A 4 -4.936 -5.253 -4.295 1.00 0.00 N ATOM 52 CA VAL A 4 -5.548 -6.530 -4.643 1.00 0.00 C ATOM 53 C VAL A 4 -6.187 -6.473 -6.026 1.00 0.00 C ATOM 54 O VAL A 4 -7.400 -6.627 -6.168 1.00 0.00 O ATOM 55 CB VAL A 4 -6.617 -6.939 -3.613 1.00 0.00 C ATOM 56 CG1 VAL A 4 -7.091 -8.361 -3.871 1.00 0.00 C ATOM 57 CG2 VAL A 4 -6.075 -6.798 -2.198 1.00 0.00 C ATOM 0 H VAL A 4 -5.602 -4.501 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.751 -7.274 -4.643 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.472 -6.271 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.846 -8.632 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.521 -8.426 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.246 -9.046 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.844 -7.091 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.203 -7.440 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.790 -5.761 -2.019 1.00 0.00 H new ATOM 67 N ASP A 5 -5.362 -6.253 -7.044 1.00 0.00 N ATOM 68 CA ASP A 5 -5.845 -6.177 -8.418 1.00 0.00 C ATOM 69 C ASP A 5 -6.758 -4.970 -8.607 1.00 0.00 C ATOM 70 O ASP A 5 -7.420 -4.526 -7.668 1.00 0.00 O ATOM 71 CB ASP A 5 -6.592 -7.460 -8.789 1.00 0.00 C ATOM 72 CG ASP A 5 -5.850 -8.708 -8.353 1.00 0.00 C ATOM 73 OD1 ASP A 5 -4.603 -8.671 -8.306 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.517 -9.722 -8.059 1.00 0.00 O ATOM 0 H ASP A 5 -4.355 -6.124 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.983 -6.064 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.580 -7.448 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.744 -7.489 -9.868 1.00 0.00 H new ATOM 79 N ILE A 6 -6.787 -4.442 -9.826 1.00 0.00 N ATOM 80 CA ILE A 6 -7.619 -3.286 -10.138 1.00 0.00 C ATOM 81 C ILE A 6 -8.871 -3.700 -10.903 1.00 0.00 C ATOM 82 O ILE A 6 -8.824 -4.581 -11.763 1.00 0.00 O ATOM 83 CB ILE A 6 -6.846 -2.244 -10.967 1.00 0.00 C ATOM 84 CG1 ILE A 6 -5.540 -1.867 -10.263 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.704 -1.010 -11.200 1.00 0.00 C ATOM 86 CD1 ILE A 6 -4.369 -2.741 -10.653 1.00 0.00 C ATOM 0 H ILE A 6 -6.244 -4.796 -10.614 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.909 -2.840 -9.187 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.602 -2.680 -11.936 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.300 -0.829 -10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.687 -1.930 -9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.144 -0.283 -11.787 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.608 -1.292 -11.739 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.976 -0.569 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.478 -2.416 -10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.588 -3.778 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.196 -2.660 -11.726 1.00 0.00 H new ATOM 98 N HIS A 7 -9.991 -3.058 -10.587 1.00 0.00 N ATOM 99 CA HIS A 7 -11.257 -3.358 -11.246 1.00 0.00 C ATOM 100 C HIS A 7 -11.158 -3.113 -12.749 1.00 0.00 C ATOM 101 O HIS A 7 -11.320 -4.034 -13.550 1.00 0.00 O ATOM 102 CB HIS A 7 -12.380 -2.507 -10.652 1.00 0.00 C ATOM 103 CG HIS A 7 -13.534 -3.311 -10.139 1.00 0.00 C ATOM 104 ND1 HIS A 7 -13.378 -4.489 -9.439 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.868 -3.101 -10.227 1.00 0.00 C ATOM 106 CE1 HIS A 7 -14.567 -4.969 -9.119 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.488 -4.145 -9.585 1.00 0.00 N ATOM 0 H HIS A 7 -10.048 -2.326 -9.878 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.484 -4.411 -11.081 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.977 -1.905 -9.838 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.740 -1.814 -11.412 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.355 -2.268 -10.712 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.754 -5.880 -8.570 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.496 -4.265 -9.484 1.00 0.00 H new ATOM 115 N VAL A 8 -10.891 -1.866 -13.124 1.00 0.00 N ATOM 116 CA VAL A 8 -10.770 -1.501 -14.531 1.00 0.00 C ATOM 117 C VAL A 8 -9.586 -2.206 -15.182 1.00 0.00 C ATOM 118 O VAL A 8 -8.659 -2.642 -14.499 1.00 0.00 O ATOM 119 CB VAL A 8 -10.606 0.021 -14.703 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.839 0.752 -14.196 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.355 0.506 -13.985 1.00 0.00 C ATOM 0 H VAL A 8 -10.754 -1.092 -12.474 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.691 -1.818 -15.021 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.496 0.239 -15.765 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.704 1.826 -14.326 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.713 0.425 -14.759 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.985 0.530 -13.139 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.254 1.583 -14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.433 0.276 -12.922 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.480 0.006 -14.401 1.00 0.00 H new ATOM 131 N TRP A 9 -9.623 -2.313 -16.505 1.00 0.00 N ATOM 132 CA TRP A 9 -8.551 -2.966 -17.249 1.00 0.00 C ATOM 133 C TRP A 9 -8.294 -2.252 -18.571 1.00 0.00 C ATOM 134 O TRP A 9 -9.220 -2.006 -19.345 1.00 0.00 O ATOM 135 CB TRP A 9 -8.901 -4.432 -17.506 1.00 0.00 C ATOM 136 CG TRP A 9 -7.699 -5.298 -17.736 1.00 0.00 C ATOM 137 CD1 TRP A 9 -6.931 -5.350 -18.864 1.00 0.00 C ATOM 138 CD2 TRP A 9 -7.129 -6.236 -16.817 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.918 -6.264 -18.701 1.00 0.00 N ATOM 140 CE2 TRP A 9 -6.017 -6.820 -17.453 1.00 0.00 C ATOM 141 CE3 TRP A 9 -7.449 -6.637 -15.517 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -5.227 -7.785 -16.834 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -6.663 -7.594 -14.903 1.00 0.00 C ATOM 144 CH2 TRP A 9 -5.563 -8.159 -15.561 1.00 0.00 C ATOM 0 H TRP A 9 -10.383 -1.957 -17.085 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.643 -2.917 -16.649 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.461 -4.819 -16.655 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.557 -4.495 -18.374 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.096 -4.760 -19.753 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -5.207 -6.492 -19.397 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.295 -6.207 -15.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.379 -8.223 -17.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -6.901 -7.912 -13.899 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.968 -8.904 -15.054 1.00 0.00 H new ATOM 155 N ASP A 10 -7.033 -1.922 -18.825 1.00 0.00 N ATOM 156 CA ASP A 10 -6.654 -1.237 -20.056 1.00 0.00 C ATOM 157 C ASP A 10 -7.305 0.140 -20.133 1.00 0.00 C ATOM 158 O ASP A 10 -7.578 0.649 -21.220 1.00 0.00 O ATOM 159 CB ASP A 10 -7.053 -2.073 -21.273 1.00 0.00 C ATOM 160 CG ASP A 10 -6.393 -1.589 -22.549 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.645 -0.592 -22.488 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.625 -2.208 -23.609 1.00 0.00 O ATOM 0 H ASP A 10 -6.255 -2.118 -18.195 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.572 -1.108 -20.053 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.782 -3.114 -21.100 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.136 -2.041 -21.393 1.00 0.00 H new ATOM 167 N GLY A 11 -7.552 0.739 -18.972 1.00 0.00 N ATOM 168 CA GLY A 11 -8.170 2.052 -18.931 1.00 0.00 C ATOM 169 C GLY A 11 -9.595 2.006 -18.416 1.00 0.00 C ATOM 170 O GLY A 11 -9.938 2.693 -17.454 1.00 0.00 O ATOM 0 H GLY A 11 -7.335 0.339 -18.059 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.578 2.709 -18.294 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.162 2.485 -19.931 1.00 0.00 H new ATOM 174 N VAL A 12 -10.429 1.194 -19.060 1.00 0.00 N ATOM 175 CA VAL A 12 -11.825 1.061 -18.662 1.00 0.00 C ATOM 176 C VAL A 12 -12.271 -0.396 -18.699 1.00 0.00 C ATOM 177 O VAL A 12 -11.844 -1.165 -19.561 1.00 0.00 O ATOM 178 CB VAL A 12 -12.749 1.893 -19.571 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.585 3.378 -19.286 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.469 1.589 -21.035 1.00 0.00 C ATOM 0 H VAL A 12 -10.161 0.619 -19.859 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.900 1.434 -17.641 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.782 1.619 -19.357 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.246 3.949 -19.938 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.840 3.579 -18.245 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.552 3.672 -19.470 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.131 2.185 -21.663 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.432 1.833 -21.265 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.644 0.530 -21.227 1.00 0.00 H new ATOM 190 N TYR A 13 -13.131 -0.770 -17.759 1.00 0.00 N ATOM 191 CA TYR A 13 -13.634 -2.136 -17.682 1.00 0.00 C ATOM 192 C TYR A 13 -14.549 -2.447 -18.862 1.00 0.00 C ATOM 193 O TYR A 13 -15.645 -1.897 -18.973 1.00 0.00 O ATOM 194 CB TYR A 13 -14.386 -2.352 -16.368 1.00 0.00 C ATOM 195 CG TYR A 13 -14.995 -3.730 -16.238 1.00 0.00 C ATOM 196 CD1 TYR A 13 -16.283 -3.988 -16.690 1.00 0.00 C ATOM 197 CD2 TYR A 13 -14.281 -4.775 -15.664 1.00 0.00 C ATOM 198 CE1 TYR A 13 -16.844 -5.245 -16.572 1.00 0.00 C ATOM 199 CE2 TYR A 13 -14.833 -6.036 -15.544 1.00 0.00 C ATOM 200 CZ TYR A 13 -16.114 -6.266 -15.999 1.00 0.00 C ATOM 201 OH TYR A 13 -16.668 -7.520 -15.882 1.00 0.00 O ATOM 0 H TYR A 13 -13.495 -0.146 -17.039 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.780 -2.813 -17.719 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.702 -2.187 -15.536 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.176 -1.606 -16.284 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.856 -3.192 -17.142 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.278 -4.598 -15.306 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.848 -5.427 -16.926 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.264 -6.837 -15.096 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.023 -8.124 -15.458 1.00 0.00 H new ATOM 211 N ILE A 14 -14.091 -3.332 -19.741 1.00 0.00 N ATOM 212 CA ILE A 14 -14.868 -3.719 -20.912 1.00 0.00 C ATOM 213 C ILE A 14 -16.230 -4.273 -20.509 1.00 0.00 C ATOM 214 O ILE A 14 -16.363 -4.935 -19.479 1.00 0.00 O ATOM 215 CB ILE A 14 -14.127 -4.771 -21.757 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.748 -4.251 -22.165 1.00 0.00 C ATOM 217 CG2 ILE A 14 -14.947 -5.135 -22.986 1.00 0.00 C ATOM 218 CD1 ILE A 14 -11.840 -5.321 -22.729 1.00 0.00 C ATOM 0 H ILE A 14 -13.185 -3.795 -19.664 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.008 -2.818 -21.510 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.991 -5.669 -21.155 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.871 -3.463 -22.907 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.268 -3.799 -21.297 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.410 -5.880 -23.574 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.909 -5.543 -22.674 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -15.110 -4.244 -23.592 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.880 -4.880 -22.996 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.686 -6.099 -21.981 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.299 -5.757 -23.617 1.00 0.00 H new ATOM 230 N ARG A 15 -17.240 -4.000 -21.329 1.00 0.00 N ATOM 231 CA ARG A 15 -18.593 -4.473 -21.058 1.00 0.00 C ATOM 232 C ARG A 15 -18.698 -5.978 -21.284 1.00 0.00 C ATOM 233 O ARG A 15 -18.017 -6.537 -22.143 1.00 0.00 O ATOM 234 CB ARG A 15 -19.599 -3.741 -21.949 1.00 0.00 C ATOM 235 CG ARG A 15 -21.046 -4.097 -21.652 1.00 0.00 C ATOM 236 CD ARG A 15 -22.007 -3.126 -22.319 1.00 0.00 C ATOM 237 NE ARG A 15 -23.402 -3.448 -22.029 1.00 0.00 N ATOM 238 CZ ARG A 15 -24.430 -2.920 -22.683 1.00 0.00 C ATOM 239 NH1 ARG A 15 -24.221 -2.049 -23.661 1.00 0.00 N ATOM 240 NH2 ARG A 15 -25.670 -3.264 -22.361 1.00 0.00 N ATOM 0 H ARG A 15 -17.147 -3.454 -22.186 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.823 -4.263 -20.013 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.465 -2.666 -21.827 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.383 -3.972 -22.992 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.251 -5.110 -21.999 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -21.210 -4.090 -20.574 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.791 -2.113 -21.980 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.848 -3.142 -23.397 1.00 0.00 H new ATOM 0 HE ARG A 15 -23.597 -4.115 -21.283 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -23.269 -1.783 -23.912 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -25.012 -1.645 -24.162 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -25.835 -3.935 -21.610 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -26.459 -2.858 -22.864 1.00 0.00 H new ATOM 254 N GLY A 16 -19.557 -6.630 -20.505 1.00 0.00 N ATOM 255 CA GLY A 16 -19.735 -8.064 -20.635 1.00 0.00 C ATOM 256 C GLY A 16 -18.435 -8.827 -20.476 1.00 0.00 C ATOM 257 O GLY A 16 -17.953 -9.020 -19.359 1.00 0.00 O ATOM 0 H GLY A 16 -20.132 -6.190 -19.787 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.448 -8.408 -19.886 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.166 -8.286 -21.611 1.00 0.00 H new ATOM 261 N ARG A 17 -17.865 -9.262 -21.595 1.00 0.00 N ATOM 262 CA ARG A 17 -16.614 -10.011 -21.574 1.00 0.00 C ATOM 263 C ARG A 17 -15.418 -9.074 -21.715 1.00 0.00 C ATOM 264 O ARG A 17 -14.642 -8.898 -20.776 1.00 0.00 O ATOM 265 CB ARG A 17 -16.598 -11.049 -22.698 1.00 0.00 C ATOM 266 CG ARG A 17 -15.537 -12.122 -22.520 1.00 0.00 C ATOM 267 CD ARG A 17 -15.904 -13.088 -21.404 1.00 0.00 C ATOM 268 NE ARG A 17 -14.940 -14.179 -21.286 1.00 0.00 N ATOM 269 CZ ARG A 17 -14.954 -15.068 -20.299 1.00 0.00 C ATOM 270 NH1 ARG A 17 -15.877 -14.995 -19.349 1.00 0.00 N ATOM 271 NH2 ARG A 17 -14.044 -16.032 -20.260 1.00 0.00 N ATOM 0 H ARG A 17 -18.249 -9.109 -22.527 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.541 -10.523 -20.615 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.577 -11.524 -22.756 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.433 -10.541 -23.648 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.414 -12.672 -23.453 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.578 -11.654 -22.297 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.957 -12.547 -20.459 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.896 -13.499 -21.592 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.217 -14.263 -22.000 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.578 -14.255 -19.375 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.885 -15.679 -18.592 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.332 -16.091 -20.988 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.056 -16.714 -19.502 1.00 0.00 H new TER 285 ARG A 17