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+ -170:sc= 0 (180deg=-0.0853) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.450 -0.920 -2.394 1.00 0.00 N ATOM 2 CA LEU A 1 2.620 -2.227 -3.020 1.00 0.00 C ATOM 3 C LEU A 1 1.510 -2.495 -4.031 1.00 0.00 C ATOM 4 O LEU A 1 1.756 -3.027 -5.112 1.00 0.00 O ATOM 5 CB LEU A 1 2.633 -3.326 -1.956 1.00 0.00 C ATOM 6 CG LEU A 1 3.454 -4.573 -2.289 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.906 -5.257 -3.531 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.920 -4.210 -2.480 1.00 0.00 C ATOM 0 H1 LEU A 1 3.299 -0.687 -1.841 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.307 -0.199 -3.130 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.622 -0.941 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 1 3.574 -2.229 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.015 -2.901 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.604 -3.633 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 1 3.378 -5.269 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.503 -6.142 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.871 -5.551 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.951 -4.569 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.490 -5.109 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.014 -3.495 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.307 -3.766 -1.563 1.00 0.00 H new ATOM 20 N GLY A 2 0.286 -2.121 -3.671 1.00 0.00 N ATOM 21 CA GLY A 2 -0.844 -2.327 -4.558 1.00 0.00 C ATOM 22 C GLY A 2 -2.030 -2.953 -3.851 1.00 0.00 C ATOM 23 O GLY A 2 -2.090 -2.969 -2.622 1.00 0.00 O ATOM 0 H GLY A 2 0.057 -1.679 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.144 -1.371 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.540 -2.967 -5.386 1.00 0.00 H new ATOM 27 N ARG A 3 -2.977 -3.467 -4.629 1.00 0.00 N ATOM 28 CA ARG A 3 -4.168 -4.094 -4.070 1.00 0.00 C ATOM 29 C ARG A 3 -4.473 -5.411 -4.778 1.00 0.00 C ATOM 30 O ARG A 3 -3.931 -5.694 -5.846 1.00 0.00 O ATOM 31 CB ARG A 3 -5.368 -3.152 -4.185 1.00 0.00 C ATOM 32 CG ARG A 3 -5.122 -1.777 -3.584 1.00 0.00 C ATOM 33 CD ARG A 3 -6.356 -0.894 -3.690 1.00 0.00 C ATOM 34 NE ARG A 3 -6.447 -0.236 -4.991 1.00 0.00 N ATOM 35 CZ ARG A 3 -5.771 0.864 -5.306 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.959 1.424 -4.421 1.00 0.00 N ATOM 37 NH2 ARG A 3 -5.907 1.405 -6.510 1.00 0.00 N ATOM 0 H ARG A 3 -2.942 -3.461 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.977 -4.303 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.630 -3.038 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.226 -3.608 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.837 -1.882 -2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.286 -1.299 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.249 -1.497 -3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.331 -0.140 -2.903 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.062 -0.643 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.851 1.011 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.442 2.268 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.531 0.977 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.388 2.249 -6.751 1.00 0.00 H new ATOM 51 N VAL A 4 -5.344 -6.214 -4.174 1.00 0.00 N ATOM 52 CA VAL A 4 -5.721 -7.501 -4.746 1.00 0.00 C ATOM 53 C VAL A 4 -6.572 -7.317 -5.998 1.00 0.00 C ATOM 54 O VAL A 4 -6.829 -8.272 -6.731 1.00 0.00 O ATOM 55 CB VAL A 4 -6.499 -8.359 -3.732 1.00 0.00 C ATOM 56 CG1 VAL A 4 -6.689 -9.772 -4.262 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.784 -8.377 -2.389 1.00 0.00 C ATOM 0 H VAL A 4 -5.801 -5.996 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.796 -8.014 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.484 -7.915 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.241 -10.363 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.247 -9.738 -5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.715 -10.229 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.348 -8.988 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.785 -8.796 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.705 -7.360 -2.005 1.00 0.00 H new ATOM 67 N ASP A 5 -7.004 -6.084 -6.237 1.00 0.00 N ATOM 68 CA ASP A 5 -7.825 -5.774 -7.402 1.00 0.00 C ATOM 69 C ASP A 5 -7.717 -4.297 -7.765 1.00 0.00 C ATOM 70 O ASP A 5 -7.606 -3.439 -6.889 1.00 0.00 O ATOM 71 CB ASP A 5 -9.286 -6.141 -7.136 1.00 0.00 C ATOM 72 CG ASP A 5 -9.999 -5.103 -6.293 1.00 0.00 C ATOM 73 OD1 ASP A 5 -9.585 -4.894 -5.133 1.00 0.00 O ATOM 74 OD2 ASP A 5 -10.970 -4.498 -6.793 1.00 0.00 O ATOM 0 H ASP A 5 -6.800 -5.283 -5.640 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.458 -6.364 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.808 -6.254 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.329 -7.106 -6.632 1.00 0.00 H new ATOM 79 N ILE A 6 -7.749 -4.008 -9.062 1.00 0.00 N ATOM 80 CA ILE A 6 -7.654 -2.634 -9.540 1.00 0.00 C ATOM 81 C ILE A 6 -9.018 -2.109 -9.978 1.00 0.00 C ATOM 82 O ILE A 6 -9.861 -2.867 -10.459 1.00 0.00 O ATOM 83 CB ILE A 6 -6.669 -2.514 -10.718 1.00 0.00 C ATOM 84 CG1 ILE A 6 -5.333 -3.169 -10.362 1.00 0.00 C ATOM 85 CG2 ILE A 6 -6.466 -1.054 -11.093 1.00 0.00 C ATOM 86 CD1 ILE A 6 -5.266 -4.638 -10.718 1.00 0.00 C ATOM 0 H ILE A 6 -7.840 -4.706 -9.800 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.286 -2.035 -8.707 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.090 -3.034 -11.579 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.530 -2.642 -10.877 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.155 -3.054 -9.293 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.767 -0.986 -11.927 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.421 -0.617 -11.383 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.064 -0.511 -10.238 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.291 -5.036 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.046 -5.178 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.412 -4.759 -11.791 1.00 0.00 H new ATOM 98 N HIS A 7 -9.227 -0.808 -9.809 1.00 0.00 N ATOM 99 CA HIS A 7 -10.488 -0.180 -10.188 1.00 0.00 C ATOM 100 C HIS A 7 -10.847 -0.514 -11.633 1.00 0.00 C ATOM 101 O HIS A 7 -11.864 -1.156 -11.898 1.00 0.00 O ATOM 102 CB HIS A 7 -10.401 1.336 -10.009 1.00 0.00 C ATOM 103 CG HIS A 7 -11.727 1.985 -9.754 1.00 0.00 C ATOM 104 ND1 HIS A 7 -12.063 2.562 -8.548 1.00 0.00 N ATOM 105 CD2 HIS A 7 -12.802 2.148 -10.560 1.00 0.00 C ATOM 106 CE1 HIS A 7 -13.288 3.050 -8.622 1.00 0.00 C ATOM 107 NE2 HIS A 7 -13.759 2.813 -9.833 1.00 0.00 N ATOM 0 H HIS A 7 -8.540 -0.167 -9.412 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.271 -0.570 -9.538 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.731 1.558 -9.178 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.957 1.774 -10.903 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.891 1.817 -11.584 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.815 3.557 -7.827 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.683 3.080 -10.173 1.00 0.00 H new ATOM 115 N VAL A 8 -10.007 -0.073 -12.564 1.00 0.00 N ATOM 116 CA VAL A 8 -10.236 -0.326 -13.982 1.00 0.00 C ATOM 117 C VAL A 8 -9.215 -1.314 -14.536 1.00 0.00 C ATOM 118 O VAL A 8 -8.342 -1.791 -13.811 1.00 0.00 O ATOM 119 CB VAL A 8 -10.170 0.977 -14.801 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.397 1.836 -14.537 1.00 0.00 C ATOM 121 CG2 VAL A 8 -8.894 1.742 -14.484 1.00 0.00 C ATOM 0 H VAL A 8 -9.162 0.461 -12.362 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.235 -0.753 -14.071 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.158 0.720 -15.860 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.333 2.752 -15.124 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.294 1.286 -14.820 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.444 2.087 -13.477 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.864 2.660 -15.072 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.873 1.990 -13.423 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.029 1.125 -14.730 1.00 0.00 H new ATOM 131 N TRP A 9 -9.332 -1.616 -15.824 1.00 0.00 N ATOM 132 CA TRP A 9 -8.419 -2.548 -16.475 1.00 0.00 C ATOM 133 C TRP A 9 -8.098 -2.093 -17.895 1.00 0.00 C ATOM 134 O TRP A 9 -8.990 -1.973 -18.735 1.00 0.00 O ATOM 135 CB TRP A 9 -9.024 -3.953 -16.502 1.00 0.00 C ATOM 136 CG TRP A 9 -8.065 -5.004 -16.974 1.00 0.00 C ATOM 137 CD1 TRP A 9 -8.240 -5.862 -18.022 1.00 0.00 C ATOM 138 CD2 TRP A 9 -6.784 -5.309 -16.412 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.145 -6.682 -18.146 1.00 0.00 N ATOM 140 CE2 TRP A 9 -6.237 -6.362 -17.171 1.00 0.00 C ATOM 141 CE3 TRP A 9 -6.045 -4.794 -15.344 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -4.987 -6.908 -16.893 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -4.804 -5.337 -15.069 1.00 0.00 C ATOM 144 CH2 TRP A 9 -4.285 -6.384 -15.842 1.00 0.00 C ATOM 0 H TRP A 9 -10.049 -1.229 -16.438 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.492 -2.570 -15.901 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.371 -4.211 -15.501 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.899 -3.952 -17.152 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.111 -5.891 -18.660 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -7.027 -7.411 -18.850 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.436 -3.986 -14.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.586 -7.717 -17.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.225 -4.948 -14.245 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -3.311 -6.786 -15.603 1.00 0.00 H new ATOM 155 N ASP A 10 -6.820 -1.840 -18.155 1.00 0.00 N ATOM 156 CA ASP A 10 -6.381 -1.399 -19.474 1.00 0.00 C ATOM 157 C ASP A 10 -7.139 -0.148 -19.909 1.00 0.00 C ATOM 158 O ASP A 10 -7.560 -0.034 -21.059 1.00 0.00 O ATOM 159 CB ASP A 10 -6.582 -2.515 -20.501 1.00 0.00 C ATOM 160 CG ASP A 10 -5.718 -2.329 -21.734 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.139 -1.589 -22.647 1.00 0.00 O ATOM 162 OD2 ASP A 10 -4.621 -2.924 -21.785 1.00 0.00 O ATOM 0 H ASP A 10 -6.070 -1.933 -17.470 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.320 -1.157 -19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.351 -3.475 -20.040 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.631 -2.548 -20.797 1.00 0.00 H new ATOM 167 N GLY A 11 -7.310 0.787 -18.979 1.00 0.00 N ATOM 168 CA GLY A 11 -8.018 2.016 -19.285 1.00 0.00 C ATOM 169 C GLY A 11 -9.429 2.025 -18.731 1.00 0.00 C ATOM 170 O GLY A 11 -9.793 2.908 -17.953 1.00 0.00 O ATOM 0 H GLY A 11 -6.971 0.715 -18.020 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.465 2.862 -18.876 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.054 2.151 -20.366 1.00 0.00 H new ATOM 174 N VAL A 12 -10.228 1.042 -19.133 1.00 0.00 N ATOM 175 CA VAL A 12 -11.607 0.940 -18.673 1.00 0.00 C ATOM 176 C VAL A 12 -12.060 -0.514 -18.610 1.00 0.00 C ATOM 177 O VAL A 12 -11.755 -1.309 -19.499 1.00 0.00 O ATOM 178 CB VAL A 12 -12.564 1.725 -19.590 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.395 3.222 -19.381 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.332 1.351 -21.046 1.00 0.00 C ATOM 0 H VAL A 12 -9.943 0.304 -19.777 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.639 1.371 -17.672 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.589 1.460 -19.330 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.079 3.760 -20.037 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.616 3.472 -18.343 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.369 3.508 -19.613 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.016 1.915 -21.680 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.304 1.586 -21.323 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.509 0.284 -21.180 1.00 0.00 H new ATOM 190 N TYR A 13 -12.790 -0.855 -17.554 1.00 0.00 N ATOM 191 CA TYR A 13 -13.283 -2.215 -17.373 1.00 0.00 C ATOM 192 C TYR A 13 -14.286 -2.581 -18.464 1.00 0.00 C ATOM 193 O TYR A 13 -15.180 -1.798 -18.787 1.00 0.00 O ATOM 194 CB TYR A 13 -13.934 -2.366 -15.997 1.00 0.00 C ATOM 195 CG TYR A 13 -14.151 -3.804 -15.583 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.101 -4.594 -16.218 1.00 0.00 C ATOM 197 CD2 TYR A 13 -13.405 -4.372 -14.558 1.00 0.00 C ATOM 198 CE1 TYR A 13 -15.303 -5.908 -15.843 1.00 0.00 C ATOM 199 CE2 TYR A 13 -13.599 -5.686 -14.177 1.00 0.00 C ATOM 200 CZ TYR A 13 -14.550 -6.450 -14.822 1.00 0.00 C ATOM 201 OH TYR A 13 -14.747 -7.759 -14.447 1.00 0.00 O ATOM 0 H TYR A 13 -13.053 -0.208 -16.810 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.433 -2.894 -17.442 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.309 -1.873 -15.253 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.894 -1.849 -16.000 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.692 -4.174 -17.018 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.661 -3.776 -14.050 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.047 -6.508 -16.346 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.010 -6.113 -13.379 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.136 -7.985 -13.715 1.00 0.00 H new ATOM 211 N ILE A 14 -14.129 -3.774 -19.026 1.00 0.00 N ATOM 212 CA ILE A 14 -15.020 -4.245 -20.079 1.00 0.00 C ATOM 213 C ILE A 14 -15.760 -5.508 -19.650 1.00 0.00 C ATOM 214 O ILE A 14 -15.167 -6.582 -19.551 1.00 0.00 O ATOM 215 CB ILE A 14 -14.250 -4.532 -21.382 1.00 0.00 C ATOM 216 CG1 ILE A 14 -13.379 -3.332 -21.760 1.00 0.00 C ATOM 217 CG2 ILE A 14 -15.219 -4.865 -22.507 1.00 0.00 C ATOM 218 CD1 ILE A 14 -14.170 -2.072 -22.031 1.00 0.00 C ATOM 0 H ILE A 14 -13.393 -4.432 -18.770 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.741 -3.448 -20.261 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.600 -5.392 -21.221 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.670 -3.140 -20.955 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.795 -3.582 -22.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.660 -5.065 -23.421 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.801 -5.746 -22.237 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -15.891 -4.022 -22.670 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -13.488 -1.263 -22.293 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -14.860 -2.246 -22.857 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -14.733 -1.797 -21.139 1.00 0.00 H new ATOM 230 N ARG A 15 -17.057 -5.370 -19.398 1.00 0.00 N ATOM 231 CA ARG A 15 -17.878 -6.500 -18.981 1.00 0.00 C ATOM 232 C ARG A 15 -18.174 -7.422 -20.160 1.00 0.00 C ATOM 233 O ARG A 15 -18.308 -6.970 -21.296 1.00 0.00 O ATOM 234 CB ARG A 15 -19.188 -6.006 -18.365 1.00 0.00 C ATOM 235 CG ARG A 15 -19.107 -5.775 -16.864 1.00 0.00 C ATOM 236 CD ARG A 15 -20.452 -5.360 -16.291 1.00 0.00 C ATOM 237 NE ARG A 15 -20.366 -5.038 -14.869 1.00 0.00 N ATOM 238 CZ ARG A 15 -21.421 -4.975 -14.064 1.00 0.00 C ATOM 239 NH1 ARG A 15 -22.636 -5.210 -14.539 1.00 0.00 N ATOM 240 NH2 ARG A 15 -21.261 -4.677 -12.781 1.00 0.00 N ATOM 0 H ARG A 15 -17.562 -4.487 -19.475 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.322 -7.064 -18.232 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.480 -5.076 -18.852 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.973 -6.734 -18.570 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.766 -6.686 -16.372 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.367 -5.003 -16.653 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.827 -4.494 -16.837 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.172 -6.165 -16.437 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.445 -4.851 -14.472 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.763 -5.440 -15.525 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.444 -5.161 -13.919 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.327 -4.496 -12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.072 -4.629 -12.164 1.00 0.00 H new ATOM 254 N GLY A 16 -18.274 -8.719 -19.880 1.00 0.00 N ATOM 255 CA GLY A 16 -18.553 -9.684 -20.928 1.00 0.00 C ATOM 256 C GLY A 16 -17.495 -9.682 -22.014 1.00 0.00 C ATOM 257 O GLY A 16 -16.390 -10.186 -21.814 1.00 0.00 O ATOM 0 H GLY A 16 -18.167 -9.118 -18.947 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.620 -10.681 -20.492 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.524 -9.464 -21.371 1.00 0.00 H new ATOM 261 N ARG A 17 -17.835 -9.116 -23.167 1.00 0.00 N ATOM 262 CA ARG A 17 -16.907 -9.054 -24.290 1.00 0.00 C ATOM 263 C ARG A 17 -16.174 -7.715 -24.316 1.00 0.00 C ATOM 264 O ARG A 17 -16.576 -6.791 -25.023 1.00 0.00 O ATOM 265 CB ARG A 17 -17.654 -9.265 -25.608 1.00 0.00 C ATOM 266 CG ARG A 17 -16.749 -9.661 -26.764 1.00 0.00 C ATOM 267 CD ARG A 17 -16.357 -11.128 -26.686 1.00 0.00 C ATOM 268 NE ARG A 17 -17.346 -11.994 -27.323 1.00 0.00 N ATOM 269 CZ ARG A 17 -17.394 -13.309 -27.147 1.00 0.00 C ATOM 270 NH1 ARG A 17 -16.514 -13.908 -26.356 1.00 0.00 N ATOM 271 NH2 ARG A 17 -18.324 -14.029 -27.761 1.00 0.00 N ATOM 0 H ARG A 17 -18.746 -8.694 -23.348 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.171 -9.849 -24.166 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.410 -10.038 -25.468 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.181 -8.347 -25.868 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.258 -9.469 -27.709 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.852 -9.042 -26.754 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.388 -11.270 -27.165 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.241 -11.417 -25.641 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.038 -11.565 -27.937 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.798 -13.358 -25.881 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.553 -14.918 -26.223 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.003 -13.572 -28.369 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.359 -15.039 -27.625 1.00 0.00 H new TER 285 ARG A 17