USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 170 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 ARG N :NH3+ 180:sc= -0.166 (180deg=-0.166) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.786 -6.740 1.443 1.00 3.25 N ATOM 2 CA ARG A 1 8.171 -6.084 0.199 1.00 74.21 C ATOM 3 C ARG A 1 8.277 -7.096 -0.939 1.00 41.41 C ATOM 4 O ARG A 1 8.480 -6.727 -2.095 1.00 14.30 O ATOM 5 CB ARG A 1 9.504 -5.355 0.373 1.00 24.25 C ATOM 6 CG ARG A 1 9.396 -3.845 0.238 1.00 33.23 C ATOM 7 CD ARG A 1 8.885 -3.206 1.519 1.00 45.24 C ATOM 8 NE ARG A 1 9.809 -3.398 2.633 1.00 22.42 N ATOM 9 CZ ARG A 1 9.607 -2.905 3.849 1.00 4.12 C ATOM 10 NH1 ARG A 1 8.517 -2.195 4.107 1.00 14.31 N ATOM 11 NH2 ARG A 1 10.494 -3.122 4.811 1.00 41.41 N ATOM 0 H1 ARG A 1 7.720 -6.033 2.203 1.00 3.25 H new ATOM 0 H2 ARG A 1 6.863 -7.203 1.320 1.00 3.25 H new ATOM 0 H3 ARG A 1 8.500 -7.453 1.695 1.00 3.25 H new ATOM 0 HA ARG A 1 7.398 -5.358 -0.054 1.00 74.21 H new ATOM 0 HB2 ARG A 1 9.914 -5.595 1.354 1.00 24.25 H new ATOM 0 HB3 ARG A 1 10.211 -5.728 -0.368 1.00 24.25 H new ATOM 0 HG2 ARG A 1 10.373 -3.430 -0.012 1.00 33.23 H new ATOM 0 HG3 ARG A 1 8.725 -3.599 -0.585 1.00 33.23 H new ATOM 0 HD2 ARG A 1 8.731 -2.139 1.356 1.00 45.24 H new ATOM 0 HD3 ARG A 1 7.915 -3.633 1.775 1.00 45.24 H new ATOM 0 HE ARG A 1 10.657 -3.941 2.468 1.00 22.42 H new ATOM 0 HH11 ARG A 1 7.832 -2.027 3.370 1.00 14.31 H new ATOM 0 HH12 ARG A 1 8.364 -1.817 5.042 1.00 14.31 H new ATOM 0 HH21 ARG A 1 11.333 -3.668 4.617 1.00 41.41 H new ATOM 0 HH22 ARG A 1 10.337 -2.742 5.745 1.00 41.41 H new ATOM 25 N MET A 2 8.140 -8.374 -0.601 1.00 31.30 N ATOM 26 CA MET A 2 8.219 -9.439 -1.593 1.00 3.14 C ATOM 27 C MET A 2 6.974 -9.456 -2.474 1.00 32.23 C ATOM 28 O MET A 2 6.915 -10.178 -3.471 1.00 74.43 O ATOM 29 CB MET A 2 8.390 -10.795 -0.906 1.00 3.41 C ATOM 30 CG MET A 2 7.166 -11.236 -0.118 1.00 55.14 C ATOM 31 SD MET A 2 7.401 -12.827 0.697 1.00 11.11 S ATOM 32 CE MET A 2 7.311 -12.341 2.419 1.00 21.10 C ATOM 0 H MET A 2 7.974 -8.697 0.352 1.00 31.30 H new ATOM 0 HA MET A 2 9.087 -9.248 -2.224 1.00 3.14 H new ATOM 0 HB2 MET A 2 8.618 -11.549 -1.660 1.00 3.41 H new ATOM 0 HB3 MET A 2 9.247 -10.747 -0.234 1.00 3.41 H new ATOM 0 HG2 MET A 2 6.929 -10.480 0.631 1.00 55.14 H new ATOM 0 HG3 MET A 2 6.310 -11.299 -0.789 1.00 55.14 H new ATOM 0 HE1 MET A 2 7.439 -13.219 3.052 1.00 21.10 H new ATOM 0 HE2 MET A 2 8.099 -11.620 2.635 1.00 21.10 H new ATOM 0 HE3 MET A 2 6.340 -11.888 2.619 1.00 21.10 H new ATOM 42 N LEU A 3 5.979 -8.658 -2.100 1.00 22.31 N ATOM 43 CA LEU A 3 4.735 -8.582 -2.856 1.00 71.35 C ATOM 44 C LEU A 3 4.689 -7.315 -3.704 1.00 74.20 C ATOM 45 O LEU A 3 3.925 -7.226 -4.666 1.00 2.13 O ATOM 46 CB LEU A 3 3.535 -8.617 -1.906 1.00 44.15 C ATOM 47 CG LEU A 3 2.792 -9.950 -1.814 1.00 5.43 C ATOM 48 CD1 LEU A 3 2.166 -10.118 -0.439 1.00 2.01 C ATOM 49 CD2 LEU A 3 1.730 -10.044 -2.900 1.00 15.10 C ATOM 0 H LEU A 3 6.010 -8.055 -1.278 1.00 22.31 H new ATOM 0 HA LEU A 3 4.690 -9.444 -3.521 1.00 71.35 H new ATOM 0 HB2 LEU A 3 3.879 -8.346 -0.908 1.00 44.15 H new ATOM 0 HB3 LEU A 3 2.827 -7.850 -2.219 1.00 44.15 H new ATOM 0 HG LEU A 3 3.510 -10.756 -1.965 1.00 5.43 H new ATOM 0 HD11 LEU A 3 1.641 -11.072 -0.392 1.00 2.01 H new ATOM 0 HD12 LEU A 3 2.947 -10.095 0.321 1.00 2.01 H new ATOM 0 HD13 LEU A 3 1.460 -9.307 -0.259 1.00 2.01 H new ATOM 0 HD21 LEU A 3 1.211 -10.999 -2.820 1.00 15.10 H new ATOM 0 HD22 LEU A 3 1.014 -9.231 -2.780 1.00 15.10 H new ATOM 0 HD23 LEU A 3 2.203 -9.969 -3.879 1.00 15.10 H new ATOM 61 N LEU A 4 5.512 -6.337 -3.341 1.00 4.24 N ATOM 62 CA LEU A 4 5.568 -5.074 -4.069 1.00 14.15 C ATOM 63 C LEU A 4 6.644 -5.115 -5.149 1.00 1.42 C ATOM 64 O LEU A 4 6.575 -4.387 -6.140 1.00 3.24 O ATOM 65 CB LEU A 4 5.840 -3.918 -3.106 1.00 30.54 C ATOM 66 CG LEU A 4 4.611 -3.290 -2.448 1.00 62.44 C ATOM 67 CD1 LEU A 4 3.783 -2.535 -3.476 1.00 50.14 C ATOM 68 CD2 LEU A 4 3.771 -4.355 -1.760 1.00 3.25 C ATOM 0 H LEU A 4 6.150 -6.394 -2.547 1.00 4.24 H new ATOM 0 HA LEU A 4 4.602 -4.918 -4.550 1.00 14.15 H new ATOM 0 HB2 LEU A 4 6.506 -4.275 -2.320 1.00 30.54 H new ATOM 0 HB3 LEU A 4 6.376 -3.138 -3.648 1.00 30.54 H new ATOM 0 HG LEU A 4 4.949 -2.581 -1.693 1.00 62.44 H new ATOM 0 HD11 LEU A 4 2.912 -2.095 -2.990 1.00 50.14 H new ATOM 0 HD12 LEU A 4 4.388 -1.745 -3.921 1.00 50.14 H new ATOM 0 HD13 LEU A 4 3.454 -3.223 -4.255 1.00 50.14 H new ATOM 0 HD21 LEU A 4 2.901 -3.889 -1.297 1.00 3.25 H new ATOM 0 HD22 LEU A 4 3.442 -5.090 -2.495 1.00 3.25 H new ATOM 0 HD23 LEU A 4 4.368 -4.850 -0.994 1.00 3.25 H new ATOM 80 N THR A 5 7.639 -5.975 -4.953 1.00 72.32 N ATOM 81 CA THR A 5 8.731 -6.113 -5.910 1.00 1.25 C ATOM 82 C THR A 5 8.240 -6.719 -7.219 1.00 31.42 C ATOM 83 O THR A 5 8.380 -6.133 -8.292 1.00 23.20 O ATOM 84 CB THR A 5 9.865 -6.988 -5.345 1.00 75.33 C ATOM 85 OG1 THR A 5 10.803 -6.174 -4.631 1.00 23.11 O ATOM 86 CG2 THR A 5 10.581 -7.733 -6.462 1.00 41.43 C ATOM 0 H THR A 5 7.711 -6.587 -4.140 1.00 72.32 H new ATOM 0 HA THR A 5 9.116 -5.111 -6.099 1.00 1.25 H new ATOM 0 HB THR A 5 9.426 -7.718 -4.665 1.00 75.33 H new ATOM 0 HG1 THR A 5 11.520 -6.738 -4.273 1.00 23.11 H new ATOM 0 HG21 THR A 5 11.378 -8.345 -6.039 1.00 41.43 H new ATOM 0 HG22 THR A 5 9.871 -8.373 -6.985 1.00 41.43 H new ATOM 0 HG23 THR A 5 11.007 -7.015 -7.163 1.00 41.43 H new ATOM 94 N PRO A 6 7.651 -7.920 -7.131 1.00 1.53 N ATOM 95 CA PRO A 6 7.126 -8.632 -8.301 1.00 21.21 C ATOM 96 C PRO A 6 5.888 -7.957 -8.883 1.00 64.41 C ATOM 97 O PRO A 6 5.568 -8.131 -10.060 1.00 40.14 O ATOM 98 CB PRO A 6 6.771 -10.014 -7.747 1.00 35.44 C ATOM 99 CG PRO A 6 6.522 -9.786 -6.296 1.00 64.23 C ATOM 100 CD PRO A 6 7.450 -8.677 -5.884 1.00 52.34 C ATOM 0 HA PRO A 6 7.846 -8.658 -9.119 1.00 21.21 H new ATOM 0 HB2 PRO A 6 5.890 -10.424 -8.240 1.00 35.44 H new ATOM 0 HB3 PRO A 6 7.583 -10.724 -7.903 1.00 35.44 H new ATOM 0 HG2 PRO A 6 5.482 -9.511 -6.117 1.00 64.23 H new ATOM 0 HG3 PRO A 6 6.716 -10.691 -5.720 1.00 64.23 H new ATOM 0 HD2 PRO A 6 7.012 -8.056 -5.103 1.00 52.34 H new ATOM 0 HD3 PRO A 6 8.391 -9.065 -5.493 1.00 52.34 H new ATOM 108 N LEU A 7 5.194 -7.186 -8.052 1.00 21.35 N ATOM 109 CA LEU A 7 3.991 -6.485 -8.484 1.00 72.14 C ATOM 110 C LEU A 7 4.342 -5.153 -9.139 1.00 45.14 C ATOM 111 O LEU A 7 3.548 -4.592 -9.893 1.00 51.41 O ATOM 112 CB LEU A 7 3.059 -6.251 -7.294 1.00 50.45 C ATOM 113 CG LEU A 7 1.727 -5.570 -7.609 1.00 14.24 C ATOM 114 CD1 LEU A 7 0.562 -6.470 -7.224 1.00 34.12 C ATOM 115 CD2 LEU A 7 1.628 -4.231 -6.891 1.00 4.22 C ATOM 0 H LEU A 7 5.444 -7.031 -7.075 1.00 21.35 H new ATOM 0 HA LEU A 7 3.482 -7.107 -9.220 1.00 72.14 H new ATOM 0 HB2 LEU A 7 2.851 -7.213 -6.827 1.00 50.45 H new ATOM 0 HB3 LEU A 7 3.588 -5.647 -6.557 1.00 50.45 H new ATOM 0 HG LEU A 7 1.680 -5.388 -8.683 1.00 14.24 H new ATOM 0 HD11 LEU A 7 -0.377 -5.968 -7.456 1.00 34.12 H new ATOM 0 HD12 LEU A 7 0.623 -7.403 -7.784 1.00 34.12 H new ATOM 0 HD13 LEU A 7 0.605 -6.684 -6.156 1.00 34.12 H new ATOM 0 HD21 LEU A 7 0.673 -3.761 -7.127 1.00 4.22 H new ATOM 0 HD22 LEU A 7 1.698 -4.389 -5.815 1.00 4.22 H new ATOM 0 HD23 LEU A 7 2.442 -3.583 -7.216 1.00 4.22 H new ATOM 127 N ALA A 8 5.539 -4.653 -8.846 1.00 64.32 N ATOM 128 CA ALA A 8 5.997 -3.389 -9.410 1.00 74.44 C ATOM 129 C ALA A 8 6.715 -3.608 -10.737 1.00 12.33 C ATOM 130 O ALA A 8 7.363 -2.703 -11.261 1.00 64.31 O ATOM 131 CB ALA A 8 6.911 -2.673 -8.425 1.00 52.52 C ATOM 0 H ALA A 8 6.208 -5.104 -8.222 1.00 64.32 H new ATOM 0 HA ALA A 8 5.123 -2.765 -9.599 1.00 74.44 H new ATOM 0 HB1 ALA A 8 7.246 -1.731 -8.858 1.00 52.52 H new ATOM 0 HB2 ALA A 8 6.367 -2.475 -7.502 1.00 52.52 H new ATOM 0 HB3 ALA A 8 7.776 -3.301 -8.209 1.00 52.52 H new ATOM 137 N LYS A 9 6.596 -4.817 -11.276 1.00 54.43 N ATOM 138 CA LYS A 9 7.232 -5.156 -12.543 1.00 4.02 C ATOM 139 C LYS A 9 6.284 -5.955 -13.432 1.00 20.15 C ATOM 140 O LYS A 9 6.687 -6.481 -14.470 1.00 15.54 O ATOM 141 CB LYS A 9 8.513 -5.957 -12.297 1.00 2.30 C ATOM 142 CG LYS A 9 9.486 -5.272 -11.353 1.00 2.15 C ATOM 143 CD LYS A 9 10.156 -4.078 -12.013 1.00 3.21 C ATOM 144 CE LYS A 9 11.331 -4.506 -12.877 1.00 31.04 C ATOM 145 NZ LYS A 9 11.262 -3.913 -14.242 1.00 51.11 N ATOM 0 H LYS A 9 6.064 -5.579 -10.854 1.00 54.43 H new ATOM 0 HA LYS A 9 7.484 -4.226 -13.053 1.00 4.02 H new ATOM 0 HB2 LYS A 9 8.249 -6.932 -11.888 1.00 2.30 H new ATOM 0 HB3 LYS A 9 9.009 -6.135 -13.251 1.00 2.30 H new ATOM 0 HG2 LYS A 9 8.957 -4.945 -10.458 1.00 2.15 H new ATOM 0 HG3 LYS A 9 10.245 -5.985 -11.031 1.00 2.15 H new ATOM 0 HD2 LYS A 9 9.429 -3.544 -12.625 1.00 3.21 H new ATOM 0 HD3 LYS A 9 10.500 -3.383 -11.247 1.00 3.21 H new ATOM 0 HE2 LYS A 9 12.263 -4.206 -12.397 1.00 31.04 H new ATOM 0 HE3 LYS A 9 11.348 -5.593 -12.954 1.00 31.04 H new ATOM 0 HZ1 LYS A 9 12.081 -4.229 -14.800 1.00 51.11 H new ATOM 0 HZ2 LYS A 9 10.385 -4.220 -14.710 1.00 51.11 H new ATOM 0 HZ3 LYS A 9 11.272 -2.875 -14.171 1.00 51.11 H new ATOM 159 N ILE A 10 5.024 -6.040 -13.018 1.00 15.11 N ATOM 160 CA ILE A 10 4.019 -6.772 -13.779 1.00 22.21 C ATOM 161 C ILE A 10 2.906 -5.845 -14.255 1.00 11.20 C ATOM 162 O ILE A 10 2.162 -6.175 -15.178 1.00 24.21 O ATOM 163 CB ILE A 10 3.402 -7.911 -12.946 1.00 31.23 C ATOM 164 CG1 ILE A 10 2.769 -7.353 -11.669 1.00 14.42 C ATOM 165 CG2 ILE A 10 4.458 -8.953 -12.608 1.00 53.45 C ATOM 166 CD1 ILE A 10 1.340 -6.892 -11.854 1.00 5.43 C ATOM 0 H ILE A 10 4.675 -5.611 -12.161 1.00 15.11 H new ATOM 0 HA ILE A 10 4.527 -7.199 -14.644 1.00 22.21 H new ATOM 0 HB ILE A 10 2.622 -8.391 -13.537 1.00 31.23 H new ATOM 0 HG12 ILE A 10 2.798 -8.119 -10.894 1.00 14.42 H new ATOM 0 HG13 ILE A 10 3.369 -6.516 -11.312 1.00 14.42 H new ATOM 0 HG21 ILE A 10 4.006 -9.751 -12.019 1.00 53.45 H new ATOM 0 HG22 ILE A 10 4.867 -9.368 -13.529 1.00 53.45 H new ATOM 0 HG23 ILE A 10 5.258 -8.487 -12.033 1.00 53.45 H new ATOM 0 HD11 ILE A 10 0.956 -6.509 -10.909 1.00 5.43 H new ATOM 0 HD12 ILE A 10 1.307 -6.103 -12.605 1.00 5.43 H new ATOM 0 HD13 ILE A 10 0.726 -7.731 -12.182 1.00 5.43 H new ATOM 178 N ILE A 11 2.801 -4.683 -13.621 1.00 45.23 N ATOM 179 CA ILE A 11 1.781 -3.705 -13.982 1.00 65.15 C ATOM 180 C ILE A 11 1.962 -3.228 -15.418 1.00 2.31 C ATOM 181 O ILE A 11 1.053 -2.641 -16.006 1.00 14.04 O ATOM 182 CB ILE A 11 1.810 -2.487 -13.040 1.00 11.33 C ATOM 183 CG1 ILE A 11 2.986 -1.573 -13.389 1.00 72.33 C ATOM 184 CG2 ILE A 11 1.896 -2.940 -11.590 1.00 10.44 C ATOM 185 CD1 ILE A 11 4.337 -2.227 -13.199 1.00 14.32 C ATOM 0 H ILE A 11 3.409 -4.395 -12.855 1.00 45.23 H new ATOM 0 HA ILE A 11 0.817 -4.204 -13.886 1.00 65.15 H new ATOM 0 HB ILE A 11 0.886 -1.924 -13.170 1.00 11.33 H new ATOM 0 HG12 ILE A 11 2.890 -1.251 -14.426 1.00 72.33 H new ATOM 0 HG13 ILE A 11 2.935 -0.677 -12.771 1.00 72.33 H new ATOM 0 HG21 ILE A 11 1.916 -2.068 -10.937 1.00 10.44 H new ATOM 0 HG22 ILE A 11 1.029 -3.555 -11.349 1.00 10.44 H new ATOM 0 HG23 ILE A 11 2.805 -3.523 -11.444 1.00 10.44 H new ATOM 0 HD11 ILE A 11 5.124 -1.521 -13.465 1.00 14.32 H new ATOM 0 HD12 ILE A 11 4.454 -2.524 -12.157 1.00 14.32 H new ATOM 0 HD13 ILE A 11 4.408 -3.107 -13.838 1.00 14.32 H new ATOM 197 N ALA A 12 3.139 -3.484 -15.978 1.00 34.21 N ATOM 198 CA ALA A 12 3.437 -3.084 -17.347 1.00 21.10 C ATOM 199 C ALA A 12 3.876 -4.280 -18.185 1.00 61.51 C ATOM 200 O ALA A 12 3.580 -4.358 -19.378 1.00 63.12 O ATOM 201 CB ALA A 12 4.511 -2.006 -17.360 1.00 72.21 C ATOM 0 H ALA A 12 3.902 -3.967 -15.504 1.00 34.21 H new ATOM 0 HA ALA A 12 2.526 -2.679 -17.788 1.00 21.10 H new ATOM 0 HB1 ALA A 12 4.724 -1.717 -18.389 1.00 72.21 H new ATOM 0 HB2 ALA A 12 4.161 -1.137 -16.804 1.00 72.21 H new ATOM 0 HB3 ALA A 12 5.419 -2.392 -16.896 1.00 72.21 H new ATOM 207 N HIS A 13 4.587 -5.210 -17.555 1.00 31.40 N ATOM 208 CA HIS A 13 5.067 -6.403 -18.243 1.00 35.20 C ATOM 209 C HIS A 13 3.933 -7.085 -19.003 1.00 2.41 C ATOM 210 O HIS A 13 4.136 -7.612 -20.097 1.00 61.44 O ATOM 211 CB HIS A 13 5.687 -7.379 -17.243 1.00 23.13 C ATOM 212 CG HIS A 13 6.243 -8.616 -17.880 1.00 32.54 C ATOM 213 ND1 HIS A 13 7.426 -8.632 -18.587 1.00 0.51 N ATOM 214 CD2 HIS A 13 5.771 -9.884 -17.912 1.00 53.03 C ATOM 215 CE1 HIS A 13 7.658 -9.854 -19.028 1.00 52.41 C ATOM 216 NE2 HIS A 13 6.668 -10.635 -18.631 1.00 31.34 N ATOM 0 H HIS A 13 4.843 -5.160 -16.569 1.00 31.40 H new ATOM 0 HA HIS A 13 5.829 -6.098 -18.960 1.00 35.20 H new ATOM 0 HB2 HIS A 13 6.483 -6.871 -16.698 1.00 23.13 H new ATOM 0 HB3 HIS A 13 4.932 -7.665 -16.511 1.00 23.13 H new ATOM 0 HD2 HIS A 13 4.858 -10.239 -17.457 1.00 53.03 H new ATOM 0 HE1 HIS A 13 8.511 -10.163 -19.613 1.00 52.41 H new ATOM 0 HE2 HIS A 13 6.584 -11.633 -18.827 1.00 31.34 H new ATOM 224 N ILE A 14 2.742 -7.072 -18.415 1.00 61.11 N ATOM 225 CA ILE A 14 1.577 -7.689 -19.037 1.00 73.32 C ATOM 226 C ILE A 14 1.167 -6.942 -20.301 1.00 5.44 C ATOM 227 O ILE A 14 0.737 -7.549 -21.281 1.00 20.14 O ATOM 228 CB ILE A 14 0.379 -7.733 -18.069 1.00 10.22 C ATOM 229 CG1 ILE A 14 0.014 -6.321 -17.611 1.00 32.20 C ATOM 230 CG2 ILE A 14 0.697 -8.619 -16.873 1.00 41.14 C ATOM 231 CD1 ILE A 14 -0.764 -6.288 -16.314 1.00 54.11 C ATOM 0 H ILE A 14 2.558 -6.641 -17.509 1.00 61.11 H new ATOM 0 HA ILE A 14 1.862 -8.708 -19.297 1.00 73.32 H new ATOM 0 HB ILE A 14 -0.478 -8.157 -18.593 1.00 10.22 H new ATOM 0 HG12 ILE A 14 0.928 -5.739 -17.492 1.00 32.20 H new ATOM 0 HG13 ILE A 14 -0.574 -5.836 -18.390 1.00 32.20 H new ATOM 0 HG21 ILE A 14 -0.159 -8.640 -16.198 1.00 41.14 H new ATOM 0 HG22 ILE A 14 0.913 -9.631 -17.217 1.00 41.14 H new ATOM 0 HG23 ILE A 14 1.565 -8.222 -16.346 1.00 41.14 H new ATOM 0 HD11 ILE A 14 -0.988 -5.254 -16.050 1.00 54.11 H new ATOM 0 HD12 ILE A 14 -1.695 -6.842 -16.434 1.00 54.11 H new ATOM 0 HD13 ILE A 14 -0.170 -6.744 -15.522 1.00 54.11 H new ATOM 243 N ARG A 15 1.307 -5.620 -20.272 1.00 64.20 N ATOM 244 CA ARG A 15 0.952 -4.789 -21.416 1.00 31.31 C ATOM 245 C ARG A 15 2.058 -4.810 -22.467 1.00 4.10 C ATOM 246 O ARG A 15 1.829 -4.477 -23.629 1.00 63.10 O ATOM 247 CB ARG A 15 0.689 -3.350 -20.966 1.00 72.34 C ATOM 248 CG ARG A 15 -0.739 -2.889 -21.207 1.00 53.11 C ATOM 249 CD ARG A 15 -0.777 -1.524 -21.876 1.00 4.22 C ATOM 250 NE ARG A 15 -0.382 -0.455 -20.964 1.00 14.14 N ATOM 251 CZ ARG A 15 -0.429 0.834 -21.278 1.00 33.52 C ATOM 252 NH1 ARG A 15 -0.851 1.214 -22.476 1.00 73.40 N ATOM 253 NH2 ARG A 15 -0.051 1.748 -20.393 1.00 51.14 N ATOM 0 H ARG A 15 1.664 -5.102 -19.469 1.00 64.20 H new ATOM 0 HA ARG A 15 0.044 -5.195 -21.861 1.00 31.31 H new ATOM 0 HB2 ARG A 15 0.916 -3.263 -19.903 1.00 72.34 H new ATOM 0 HB3 ARG A 15 1.371 -2.683 -21.493 1.00 72.34 H new ATOM 0 HG2 ARG A 15 -1.257 -3.616 -21.832 1.00 53.11 H new ATOM 0 HG3 ARG A 15 -1.274 -2.846 -20.258 1.00 53.11 H new ATOM 0 HD2 ARG A 15 -0.114 -1.526 -22.741 1.00 4.22 H new ATOM 0 HD3 ARG A 15 -1.783 -1.330 -22.247 1.00 4.22 H new ATOM 0 HE ARG A 15 -0.052 -0.713 -20.034 1.00 14.14 H new ATOM 0 HH11 ARG A 15 -1.141 0.515 -23.160 1.00 73.40 H new ATOM 0 HH12 ARG A 15 -0.886 2.205 -22.714 1.00 73.40 H new ATOM 0 HH21 ARG A 15 0.276 1.460 -19.471 1.00 51.14 H new ATOM 0 HH22 ARG A 15 -0.087 2.738 -20.635 1.00 51.14 H new ATOM 267 N GLU A 16 3.258 -5.203 -22.049 1.00 75.33 N ATOM 268 CA GLU A 16 4.399 -5.266 -22.954 1.00 44.22 C ATOM 269 C GLU A 16 4.495 -6.638 -23.613 1.00 55.11 C ATOM 270 O GLU A 16 4.920 -6.758 -24.763 1.00 15.12 O ATOM 271 CB GLU A 16 5.694 -4.957 -22.201 1.00 71.22 C ATOM 272 CG GLU A 16 6.475 -3.792 -22.785 1.00 42.34 C ATOM 273 CD GLU A 16 7.928 -3.788 -22.351 1.00 23.10 C ATOM 274 OE1 GLU A 16 8.344 -4.740 -21.658 1.00 54.33 O ATOM 275 OE2 GLU A 16 8.649 -2.831 -22.703 1.00 4.33 O ATOM 0 H GLU A 16 3.464 -5.482 -21.090 1.00 75.33 H new ATOM 0 HA GLU A 16 4.254 -4.518 -23.733 1.00 44.22 H new ATOM 0 HB2 GLU A 16 5.456 -4.738 -21.160 1.00 71.22 H new ATOM 0 HB3 GLU A 16 6.326 -5.845 -22.203 1.00 71.22 H new ATOM 0 HG2 GLU A 16 6.425 -3.835 -23.873 1.00 42.34 H new ATOM 0 HG3 GLU A 16 6.006 -2.856 -22.481 1.00 42.34 H new ATOM 282 N ILE A 17 4.101 -7.672 -22.876 1.00 22.12 N ATOM 283 CA ILE A 17 4.142 -9.035 -23.388 1.00 61.13 C ATOM 284 C ILE A 17 2.871 -9.371 -24.161 1.00 61.54 C ATOM 285 O ILE A 17 2.900 -10.147 -25.116 1.00 3.41 O ATOM 286 CB ILE A 17 4.324 -10.058 -22.252 1.00 61.44 C ATOM 287 CG1 ILE A 17 3.112 -10.035 -21.317 1.00 74.43 C ATOM 288 CG2 ILE A 17 5.602 -9.769 -21.478 1.00 61.53 C ATOM 289 CD1 ILE A 17 2.115 -11.139 -21.594 1.00 51.33 C ATOM 0 H ILE A 17 3.750 -7.590 -21.922 1.00 22.12 H new ATOM 0 HA ILE A 17 4.999 -9.094 -24.059 1.00 61.13 H new ATOM 0 HB ILE A 17 4.404 -11.053 -22.689 1.00 61.44 H new ATOM 0 HG12 ILE A 17 3.457 -10.118 -20.286 1.00 74.43 H new ATOM 0 HG13 ILE A 17 2.610 -9.072 -21.409 1.00 74.43 H new ATOM 0 HG21 ILE A 17 5.716 -10.501 -20.678 1.00 61.53 H new ATOM 0 HG22 ILE A 17 6.457 -9.831 -22.151 1.00 61.53 H new ATOM 0 HG23 ILE A 17 5.549 -8.768 -21.049 1.00 61.53 H new ATOM 0 HD11 ILE A 17 1.283 -11.062 -20.894 1.00 51.33 H new ATOM 0 HD12 ILE A 17 1.742 -11.045 -22.614 1.00 51.33 H new ATOM 0 HD13 ILE A 17 2.601 -12.107 -21.474 1.00 51.33 H new ATOM 301 N ALA A 18 1.757 -8.781 -23.742 1.00 13.23 N ATOM 302 CA ALA A 18 0.476 -9.015 -24.397 1.00 22.32 C ATOM 303 C ALA A 18 0.166 -7.915 -25.407 1.00 34.24 C ATOM 304 O ALA A 18 -0.607 -8.116 -26.343 1.00 61.34 O ATOM 305 CB ALA A 18 -0.636 -9.112 -23.362 1.00 62.43 C ATOM 0 H ALA A 18 1.715 -8.137 -22.952 1.00 13.23 H new ATOM 0 HA ALA A 18 0.539 -9.960 -24.937 1.00 22.32 H new ATOM 0 HB1 ALA A 18 -1.587 -9.287 -23.865 1.00 62.43 H new ATOM 0 HB2 ALA A 18 -0.428 -9.938 -22.681 1.00 62.43 H new ATOM 0 HB3 ALA A 18 -0.690 -8.181 -22.798 1.00 62.43 H new ATOM 311 N GLY A 19 0.776 -6.749 -25.210 1.00 53.23 N ATOM 312 CA GLY A 19 0.552 -5.634 -26.113 1.00 24.31 C ATOM 313 C GLY A 19 1.784 -5.291 -26.927 1.00 54.33 C ATOM 314 O GLY A 19 2.888 -5.209 -26.389 1.00 34.04 O ATOM 0 H GLY A 19 1.420 -6.557 -24.443 1.00 53.23 H new ATOM 0 HA2 GLY A 19 -0.270 -5.876 -26.787 1.00 24.31 H new ATOM 0 HA3 GLY A 19 0.246 -4.760 -25.538 1.00 24.31 H new TER 318 GLY A 19