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=-0.0769) USER MOD Single : A 7 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.03) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.295 -3.180 -1.691 1.00 0.00 N ATOM 2 CA LEU A 1 1.989 -2.707 -1.244 1.00 0.00 C ATOM 3 C LEU A 1 1.078 -2.420 -2.434 1.00 0.00 C ATOM 4 O LEU A 1 1.509 -1.851 -3.436 1.00 0.00 O ATOM 5 CB LEU A 1 2.146 -1.446 -0.392 1.00 0.00 C ATOM 6 CG LEU A 1 2.756 -1.646 0.996 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.308 -0.334 1.530 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.725 -2.224 1.954 1.00 0.00 C ATOM 0 H1 LEU A 1 3.836 -3.528 -0.874 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.169 -3.952 -2.377 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.812 -2.398 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 1 1.532 -3.491 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.765 -0.736 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.164 -0.987 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 1 3.580 -2.355 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.738 -0.496 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.079 0.038 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.503 0.398 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.177 -2.359 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.880 -1.541 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.379 -3.187 1.578 1.00 0.00 H new ATOM 20 N GLY A 2 -0.186 -2.816 -2.314 1.00 0.00 N ATOM 21 CA GLY A 2 -1.138 -2.590 -3.386 1.00 0.00 C ATOM 22 C GLY A 2 -2.351 -3.494 -3.283 1.00 0.00 C ATOM 23 O GLY A 2 -2.580 -4.121 -2.249 1.00 0.00 O ATOM 0 H GLY A 2 -0.567 -3.289 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.461 -1.549 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.647 -2.754 -4.345 1.00 0.00 H new ATOM 27 N ARG A 3 -3.130 -3.560 -4.357 1.00 0.00 N ATOM 28 CA ARG A 3 -4.328 -4.391 -4.382 1.00 0.00 C ATOM 29 C ARG A 3 -4.134 -5.596 -5.298 1.00 0.00 C ATOM 30 O ARG A 3 -3.072 -5.770 -5.897 1.00 0.00 O ATOM 31 CB ARG A 3 -5.533 -3.572 -4.847 1.00 0.00 C ATOM 32 CG ARG A 3 -5.774 -2.320 -4.021 1.00 0.00 C ATOM 33 CD ARG A 3 -6.278 -2.661 -2.627 1.00 0.00 C ATOM 34 NE ARG A 3 -7.004 -1.549 -2.020 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.786 -1.676 -0.954 1.00 0.00 C ATOM 36 NH1 ARG A 3 -7.942 -2.861 -0.380 1.00 0.00 N ATOM 37 NH2 ARG A 3 -8.415 -0.617 -0.460 1.00 0.00 N ATOM 0 H ARG A 3 -2.953 -3.048 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.511 -4.751 -3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.388 -3.287 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.424 -4.199 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.849 -1.749 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.501 -1.684 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.930 -3.533 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.434 -2.932 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.905 -0.624 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.461 -3.678 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.543 -2.956 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.298 0.296 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.015 -0.716 0.359 1.00 0.00 H new ATOM 51 N VAL A 4 -5.167 -6.426 -5.403 1.00 0.00 N ATOM 52 CA VAL A 4 -5.111 -7.614 -6.246 1.00 0.00 C ATOM 53 C VAL A 4 -6.038 -7.478 -7.449 1.00 0.00 C ATOM 54 O VAL A 4 -5.994 -8.290 -8.374 1.00 0.00 O ATOM 55 CB VAL A 4 -5.494 -8.881 -5.457 1.00 0.00 C ATOM 56 CG1 VAL A 4 -5.215 -10.128 -6.282 1.00 0.00 C ATOM 57 CG2 VAL A 4 -4.748 -8.929 -4.133 1.00 0.00 C ATOM 0 H VAL A 4 -6.053 -6.297 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.082 -7.708 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.563 -8.847 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.492 -11.013 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.799 -10.094 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.154 -10.172 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.030 -9.830 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.674 -8.940 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.004 -8.051 -3.539 1.00 0.00 H new ATOM 67 N ASP A 5 -6.875 -6.447 -7.431 1.00 0.00 N ATOM 68 CA ASP A 5 -7.812 -6.203 -8.521 1.00 0.00 C ATOM 69 C ASP A 5 -8.098 -4.712 -8.669 1.00 0.00 C ATOM 70 O ASP A 5 -8.201 -3.989 -7.678 1.00 0.00 O ATOM 71 CB ASP A 5 -9.117 -6.964 -8.281 1.00 0.00 C ATOM 72 CG ASP A 5 -8.984 -8.447 -8.568 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.390 -9.162 -7.734 1.00 0.00 O ATOM 74 OD2 ASP A 5 -9.475 -8.892 -9.626 1.00 0.00 O ATOM 0 H ASP A 5 -6.924 -5.766 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.357 -6.561 -9.445 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.431 -6.824 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.900 -6.544 -8.912 1.00 0.00 H new ATOM 79 N ILE A 6 -8.223 -4.259 -9.912 1.00 0.00 N ATOM 80 CA ILE A 6 -8.497 -2.855 -10.189 1.00 0.00 C ATOM 81 C ILE A 6 -9.897 -2.671 -10.765 1.00 0.00 C ATOM 82 O ILE A 6 -10.410 -3.542 -11.468 1.00 0.00 O ATOM 83 CB ILE A 6 -7.468 -2.264 -11.170 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.045 -2.558 -10.691 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.682 -0.765 -11.323 1.00 0.00 C ATOM 86 CD1 ILE A 6 -5.490 -3.864 -11.212 1.00 0.00 C ATOM 0 H ILE A 6 -8.139 -4.844 -10.743 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.426 -2.326 -9.239 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.607 -2.733 -12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.390 -1.744 -11.003 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.034 -2.577 -9.601 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.947 -0.362 -12.020 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.685 -0.578 -11.706 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.567 -0.280 -10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.478 -4.007 -10.832 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.122 -4.687 -10.879 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.469 -3.841 -12.302 1.00 0.00 H new ATOM 98 N HIS A 7 -10.509 -1.530 -10.464 1.00 0.00 N ATOM 99 CA HIS A 7 -11.850 -1.230 -10.954 1.00 0.00 C ATOM 100 C HIS A 7 -11.889 -1.254 -12.479 1.00 0.00 C ATOM 101 O HIS A 7 -12.703 -1.955 -13.078 1.00 0.00 O ATOM 102 CB HIS A 7 -12.309 0.136 -10.442 1.00 0.00 C ATOM 103 CG HIS A 7 -13.545 0.075 -9.598 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.520 1.050 -9.620 1.00 0.00 N ATOM 105 CD2 HIS A 7 -13.962 -0.853 -8.706 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.483 0.725 -8.776 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.169 -0.426 -8.209 1.00 0.00 N ATOM 0 H HIS A 7 -10.098 -0.799 -9.884 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.527 -1.997 -10.579 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.504 0.586 -9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.492 0.791 -11.294 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.443 -1.760 -8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.375 1.302 -8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.732 -0.918 -7.515 1.00 0.00 H new ATOM 115 N VAL A 8 -11.003 -0.482 -13.101 1.00 0.00 N ATOM 116 CA VAL A 8 -10.935 -0.415 -14.556 1.00 0.00 C ATOM 117 C VAL A 8 -9.646 -1.041 -15.076 1.00 0.00 C ATOM 118 O VAL A 8 -8.826 -1.532 -14.300 1.00 0.00 O ATOM 119 CB VAL A 8 -11.025 1.039 -15.056 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.371 1.647 -14.691 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.884 1.869 -14.488 1.00 0.00 C ATOM 0 H VAL A 8 -10.322 0.106 -12.620 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.788 -0.976 -14.938 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.937 1.037 -16.142 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.416 2.674 -15.052 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.170 1.065 -15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.493 1.638 -13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.963 2.893 -14.852 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.938 1.865 -13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.932 1.444 -14.805 1.00 0.00 H new ATOM 131 N TRP A 9 -9.474 -1.019 -16.392 1.00 0.00 N ATOM 132 CA TRP A 9 -8.283 -1.584 -17.016 1.00 0.00 C ATOM 133 C TRP A 9 -8.192 -1.179 -18.483 1.00 0.00 C ATOM 134 O TRP A 9 -9.208 -1.073 -19.171 1.00 0.00 O ATOM 135 CB TRP A 9 -8.293 -3.109 -16.895 1.00 0.00 C ATOM 136 CG TRP A 9 -6.933 -3.725 -17.032 1.00 0.00 C ATOM 137 CD1 TRP A 9 -6.536 -4.633 -17.971 1.00 0.00 C ATOM 138 CD2 TRP A 9 -5.794 -3.479 -16.201 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.218 -4.967 -17.774 1.00 0.00 N ATOM 140 CE2 TRP A 9 -4.739 -4.271 -16.695 1.00 0.00 C ATOM 141 CE3 TRP A 9 -5.560 -2.664 -15.090 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -3.474 -4.272 -16.115 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -4.304 -2.667 -14.514 1.00 0.00 C ATOM 144 CH2 TRP A 9 -3.273 -3.465 -15.028 1.00 0.00 C ATOM 0 H TRP A 9 -10.143 -0.616 -17.048 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.410 -1.191 -16.495 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.714 -3.387 -15.929 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.950 -3.523 -17.660 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.165 -5.030 -18.754 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.683 -5.626 -18.339 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.347 -2.043 -14.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.679 -4.888 -16.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.114 -2.044 -13.653 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.301 -3.443 -14.557 1.00 0.00 H new ATOM 155 N ASP A 10 -6.972 -0.954 -18.957 1.00 0.00 N ATOM 156 CA ASP A 10 -6.750 -0.562 -20.343 1.00 0.00 C ATOM 157 C ASP A 10 -7.606 0.646 -20.710 1.00 0.00 C ATOM 158 O ASP A 10 -8.204 0.692 -21.785 1.00 0.00 O ATOM 159 CB ASP A 10 -7.062 -1.728 -21.282 1.00 0.00 C ATOM 160 CG ASP A 10 -6.225 -1.694 -22.546 1.00 0.00 C ATOM 161 OD1 ASP A 10 -6.536 -0.880 -23.441 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.261 -2.481 -22.642 1.00 0.00 O ATOM 0 H ASP A 10 -6.121 -1.037 -18.401 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.701 -0.288 -20.453 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.887 -2.668 -20.759 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.119 -1.703 -21.549 1.00 0.00 H new ATOM 167 N GLY A 11 -7.662 1.622 -19.809 1.00 0.00 N ATOM 168 CA GLY A 11 -8.450 2.816 -20.056 1.00 0.00 C ATOM 169 C GLY A 11 -9.871 2.689 -19.545 1.00 0.00 C ATOM 170 O GLY A 11 -10.377 3.583 -18.866 1.00 0.00 O ATOM 0 H GLY A 11 -7.176 1.607 -18.912 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.970 3.670 -19.577 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.469 3.020 -21.127 1.00 0.00 H new ATOM 174 N VAL A 12 -10.519 1.575 -19.872 1.00 0.00 N ATOM 175 CA VAL A 12 -11.891 1.335 -19.443 1.00 0.00 C ATOM 176 C VAL A 12 -12.155 -0.155 -19.255 1.00 0.00 C ATOM 177 O VAL A 12 -11.688 -0.982 -20.038 1.00 0.00 O ATOM 178 CB VAL A 12 -12.904 1.901 -20.455 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.774 3.413 -20.552 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.713 1.252 -21.818 1.00 0.00 C ATOM 0 H VAL A 12 -10.115 0.825 -20.433 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.018 1.847 -18.489 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.910 1.669 -20.105 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.498 3.795 -21.272 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.964 3.858 -19.575 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.767 3.671 -20.878 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.437 1.663 -22.521 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.704 1.452 -22.178 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.861 0.176 -21.732 1.00 0.00 H new ATOM 190 N TYR A 13 -12.907 -0.490 -18.213 1.00 0.00 N ATOM 191 CA TYR A 13 -13.232 -1.881 -17.920 1.00 0.00 C ATOM 192 C TYR A 13 -13.853 -2.563 -19.136 1.00 0.00 C ATOM 193 O TYR A 13 -14.718 -1.996 -19.805 1.00 0.00 O ATOM 194 CB TYR A 13 -14.190 -1.964 -16.731 1.00 0.00 C ATOM 195 CG TYR A 13 -15.536 -1.326 -16.992 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.740 0.030 -16.767 1.00 0.00 C ATOM 197 CD2 TYR A 13 -16.605 -2.080 -17.462 1.00 0.00 C ATOM 198 CE1 TYR A 13 -16.968 0.617 -17.003 1.00 0.00 C ATOM 199 CE2 TYR A 13 -17.836 -1.501 -17.703 1.00 0.00 C ATOM 200 CZ TYR A 13 -18.012 -0.153 -17.472 1.00 0.00 C ATOM 201 OH TYR A 13 -19.238 0.427 -17.709 1.00 0.00 O ATOM 0 H TYR A 13 -13.303 0.183 -17.557 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.306 -2.398 -17.669 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.339 -3.011 -16.467 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.729 -1.481 -15.869 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.924 0.636 -16.401 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.471 -3.136 -17.642 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.110 1.672 -16.821 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -18.656 -2.101 -18.070 1.00 0.00 H new ATOM 0 HH TYR A 13 -19.863 -0.252 -18.037 1.00 0.00 H new ATOM 211 N ILE A 14 -13.406 -3.782 -19.415 1.00 0.00 N ATOM 212 CA ILE A 14 -13.918 -4.543 -20.548 1.00 0.00 C ATOM 213 C ILE A 14 -15.278 -5.155 -20.230 1.00 0.00 C ATOM 214 O ILE A 14 -15.539 -5.555 -19.095 1.00 0.00 O ATOM 215 CB ILE A 14 -12.946 -5.664 -20.959 1.00 0.00 C ATOM 216 CG1 ILE A 14 -11.567 -5.083 -21.277 1.00 0.00 C ATOM 217 CG2 ILE A 14 -13.494 -6.428 -22.156 1.00 0.00 C ATOM 218 CD1 ILE A 14 -10.648 -5.016 -20.078 1.00 0.00 C ATOM 0 H ILE A 14 -12.690 -4.264 -18.872 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.023 -3.843 -21.377 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.843 -6.359 -20.125 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.097 -5.689 -22.052 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.690 -4.080 -21.687 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.796 -7.217 -22.435 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -14.456 -6.870 -21.896 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.623 -5.745 -22.995 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.689 -4.594 -20.378 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.097 -4.386 -19.310 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.495 -6.019 -19.681 1.00 0.00 H new ATOM 230 N ARG A 15 -16.140 -5.226 -21.239 1.00 0.00 N ATOM 231 CA ARG A 15 -17.473 -5.790 -21.067 1.00 0.00 C ATOM 232 C ARG A 15 -17.400 -7.171 -20.422 1.00 0.00 C ATOM 233 O ARG A 15 -16.517 -7.969 -20.737 1.00 0.00 O ATOM 234 CB ARG A 15 -18.189 -5.883 -22.416 1.00 0.00 C ATOM 235 CG ARG A 15 -17.696 -7.025 -23.290 1.00 0.00 C ATOM 236 CD ARG A 15 -18.371 -7.016 -24.652 1.00 0.00 C ATOM 237 NE ARG A 15 -17.720 -6.095 -25.580 1.00 0.00 N ATOM 238 CZ ARG A 15 -18.024 -6.015 -26.870 1.00 0.00 C ATOM 239 NH1 ARG A 15 -18.964 -6.796 -27.383 1.00 0.00 N ATOM 240 NH2 ARG A 15 -17.387 -5.151 -27.651 1.00 0.00 N ATOM 0 H ARG A 15 -15.939 -4.900 -22.184 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.037 -5.129 -20.409 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.258 -6.005 -22.243 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.058 -4.943 -22.953 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.616 -6.947 -23.417 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.890 -7.975 -22.793 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.356 -8.022 -25.070 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.418 -6.734 -24.536 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.992 -5.480 -25.217 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.456 -7.461 -26.786 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.195 -6.732 -28.374 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.663 -4.548 -27.260 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.621 -5.090 -28.642 1.00 0.00 H new ATOM 254 N GLY A 16 -18.334 -7.447 -19.517 1.00 0.00 N ATOM 255 CA GLY A 16 -18.357 -8.731 -18.841 1.00 0.00 C ATOM 256 C GLY A 16 -17.076 -9.009 -18.080 1.00 0.00 C ATOM 257 O GLY A 16 -16.879 -8.501 -16.976 1.00 0.00 O ATOM 0 H GLY A 16 -19.076 -6.804 -19.240 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.200 -8.759 -18.150 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.519 -9.521 -19.574 1.00 0.00 H new ATOM 261 N ARG A 17 -16.203 -9.819 -18.670 1.00 0.00 N ATOM 262 CA ARG A 17 -14.935 -10.166 -18.039 1.00 0.00 C ATOM 263 C ARG A 17 -13.915 -9.044 -18.215 1.00 0.00 C ATOM 264 O ARG A 17 -13.277 -8.931 -19.261 1.00 0.00 O ATOM 265 CB ARG A 17 -14.386 -11.466 -18.629 1.00 0.00 C ATOM 266 CG ARG A 17 -13.409 -12.185 -17.714 1.00 0.00 C ATOM 267 CD ARG A 17 -11.982 -11.710 -17.939 1.00 0.00 C ATOM 268 NE ARG A 17 -11.469 -12.118 -19.245 1.00 0.00 N ATOM 269 CZ ARG A 17 -10.177 -12.143 -19.552 1.00 0.00 C ATOM 270 NH1 ARG A 17 -9.271 -11.786 -18.652 1.00 0.00 N ATOM 271 NH2 ARG A 17 -9.789 -12.526 -20.761 1.00 0.00 N ATOM 0 H ARG A 17 -16.350 -10.247 -19.584 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.115 -10.306 -16.973 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.218 -12.133 -18.854 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.890 -11.245 -19.574 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.690 -12.016 -16.675 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.468 -13.259 -17.889 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.944 -10.624 -17.858 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.339 -12.111 -17.155 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.140 -12.399 -19.960 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.566 -11.491 -17.721 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.280 -11.806 -18.891 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.483 -12.802 -21.456 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.797 -12.545 -20.996 1.00 0.00 H new TER 285 ARG A 17