USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=2 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+ -178:sc= -0.145 (180deg=-0.169) 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= 0 X(o=0,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.372 -1.402 0.748 1.00 3.25 N ATOM 2 CA ARG A 1 3.153 -1.117 -0.450 1.00 74.21 C ATOM 3 C ARG A 1 3.947 -2.345 -0.888 1.00 41.41 C ATOM 4 O ARG A 1 4.587 -2.339 -1.939 1.00 14.30 O ATOM 5 CB ARG A 1 4.104 0.054 -0.197 1.00 24.25 C ATOM 6 CG ARG A 1 4.025 1.143 -1.255 1.00 33.23 C ATOM 7 CD ARG A 1 4.777 2.393 -0.825 1.00 45.24 C ATOM 8 NE ARG A 1 3.870 3.480 -0.465 1.00 22.42 N ATOM 9 CZ ARG A 1 3.114 4.128 -1.343 1.00 4.12 C ATOM 10 NH1 ARG A 1 3.155 3.800 -2.627 1.00 14.31 N ATOM 11 NH2 ARG A 1 2.314 5.106 -0.938 1.00 41.41 N ATOM 0 H1 ARG A 1 1.815 -0.563 1.007 1.00 3.25 H new ATOM 0 H2 ARG A 1 1.731 -2.200 0.563 1.00 3.25 H new ATOM 0 H3 ARG A 1 3.013 -1.647 1.530 1.00 3.25 H new ATOM 0 HA ARG A 1 2.461 -0.850 -1.249 1.00 74.21 H new ATOM 0 HB2 ARG A 1 3.880 0.489 0.777 1.00 24.25 H new ATOM 0 HB3 ARG A 1 5.126 -0.322 -0.151 1.00 24.25 H new ATOM 0 HG2 ARG A 1 4.440 0.772 -2.192 1.00 33.23 H new ATOM 0 HG3 ARG A 1 2.981 1.392 -1.445 1.00 33.23 H new ATOM 0 HD2 ARG A 1 5.416 2.157 0.026 1.00 45.24 H new ATOM 0 HD3 ARG A 1 5.431 2.719 -1.634 1.00 45.24 H new ATOM 0 HE ARG A 1 3.814 3.756 0.515 1.00 22.42 H new ATOM 0 HH11 ARG A 1 3.768 3.048 -2.942 1.00 14.31 H new ATOM 0 HH12 ARG A 1 2.573 4.299 -3.300 1.00 14.31 H new ATOM 0 HH21 ARG A 1 2.279 5.361 0.049 1.00 41.41 H new ATOM 0 HH22 ARG A 1 1.734 5.603 -1.614 1.00 41.41 H new ATOM 25 N MET A 2 3.898 -3.395 -0.075 1.00 31.30 N ATOM 26 CA MET A 2 4.611 -4.630 -0.379 1.00 3.14 C ATOM 27 C MET A 2 3.928 -5.387 -1.514 1.00 32.23 C ATOM 28 O MET A 2 4.458 -6.376 -2.022 1.00 74.43 O ATOM 29 CB MET A 2 4.692 -5.517 0.864 1.00 3.41 C ATOM 30 CG MET A 2 5.876 -6.470 0.854 1.00 55.14 C ATOM 31 SD MET A 2 5.744 -7.755 2.113 1.00 11.11 S ATOM 32 CE MET A 2 6.518 -6.944 3.509 1.00 21.10 C ATOM 0 H MET A 2 3.372 -3.415 0.799 1.00 31.30 H new ATOM 0 HA MET A 2 5.621 -4.368 -0.696 1.00 3.14 H new ATOM 0 HB2 MET A 2 4.753 -4.884 1.749 1.00 3.41 H new ATOM 0 HB3 MET A 2 3.772 -6.095 0.949 1.00 3.41 H new ATOM 0 HG2 MET A 2 5.954 -6.936 -0.128 1.00 55.14 H new ATOM 0 HG3 MET A 2 6.794 -5.904 1.013 1.00 55.14 H new ATOM 0 HE1 MET A 2 6.513 -7.615 4.368 1.00 21.10 H new ATOM 0 HE2 MET A 2 7.546 -6.687 3.256 1.00 21.10 H new ATOM 0 HE3 MET A 2 5.967 -6.036 3.754 1.00 21.10 H new ATOM 42 N LEU A 3 2.750 -4.917 -1.907 1.00 22.31 N ATOM 43 CA LEU A 3 1.994 -5.549 -2.983 1.00 71.35 C ATOM 44 C LEU A 3 2.120 -4.753 -4.278 1.00 74.20 C ATOM 45 O LEU A 3 1.872 -5.275 -5.366 1.00 2.13 O ATOM 46 CB LEU A 3 0.521 -5.677 -2.591 1.00 44.15 C ATOM 47 CG LEU A 3 0.060 -7.070 -2.158 1.00 5.43 C ATOM 48 CD1 LEU A 3 -0.729 -6.992 -0.860 1.00 2.01 C ATOM 49 CD2 LEU A 3 -0.773 -7.719 -3.252 1.00 15.10 C ATOM 0 H LEU A 3 2.297 -4.100 -1.497 1.00 22.31 H new ATOM 0 HA LEU A 3 2.408 -6.544 -3.148 1.00 71.35 H new ATOM 0 HB2 LEU A 3 0.321 -4.980 -1.777 1.00 44.15 H new ATOM 0 HB3 LEU A 3 -0.088 -5.361 -3.438 1.00 44.15 H new ATOM 0 HG LEU A 3 0.942 -7.687 -1.986 1.00 5.43 H new ATOM 0 HD11 LEU A 3 -1.049 -7.992 -0.568 1.00 2.01 H new ATOM 0 HD12 LEU A 3 -0.100 -6.569 -0.077 1.00 2.01 H new ATOM 0 HD13 LEU A 3 -1.605 -6.359 -1.004 1.00 2.01 H new ATOM 0 HD21 LEU A 3 -1.092 -8.709 -2.927 1.00 15.10 H new ATOM 0 HD22 LEU A 3 -1.649 -7.104 -3.456 1.00 15.10 H new ATOM 0 HD23 LEU A 3 -0.175 -7.810 -4.159 1.00 15.10 H new ATOM 61 N LEU A 4 2.508 -3.489 -4.155 1.00 4.24 N ATOM 62 CA LEU A 4 2.669 -2.621 -5.316 1.00 14.15 C ATOM 63 C LEU A 4 4.117 -2.613 -5.793 1.00 1.42 C ATOM 64 O LEU A 4 4.399 -2.315 -6.954 1.00 3.24 O ATOM 65 CB LEU A 4 2.222 -1.198 -4.978 1.00 30.54 C ATOM 66 CG LEU A 4 0.947 -1.073 -4.145 1.00 62.44 C ATOM 67 CD1 LEU A 4 0.646 0.387 -3.843 1.00 50.14 C ATOM 68 CD2 LEU A 4 -0.226 -1.722 -4.865 1.00 3.25 C ATOM 0 H LEU A 4 2.717 -3.042 -3.262 1.00 4.24 H new ATOM 0 HA LEU A 4 2.044 -3.010 -6.120 1.00 14.15 H new ATOM 0 HB2 LEU A 4 3.032 -0.702 -4.442 1.00 30.54 H new ATOM 0 HB3 LEU A 4 2.077 -0.653 -5.911 1.00 30.54 H new ATOM 0 HG LEU A 4 1.102 -1.594 -3.200 1.00 62.44 H new ATOM 0 HD11 LEU A 4 -0.265 0.455 -3.249 1.00 50.14 H new ATOM 0 HD12 LEU A 4 1.476 0.822 -3.286 1.00 50.14 H new ATOM 0 HD13 LEU A 4 0.512 0.932 -4.778 1.00 50.14 H new ATOM 0 HD21 LEU A 4 -1.125 -1.624 -4.257 1.00 3.25 H new ATOM 0 HD22 LEU A 4 -0.381 -1.230 -5.825 1.00 3.25 H new ATOM 0 HD23 LEU A 4 -0.013 -2.778 -5.029 1.00 3.25 H new ATOM 80 N THR A 5 5.035 -2.945 -4.889 1.00 72.32 N ATOM 81 CA THR A 5 6.454 -2.977 -5.216 1.00 1.25 C ATOM 82 C THR A 5 6.771 -4.112 -6.181 1.00 31.42 C ATOM 83 O THR A 5 7.293 -3.901 -7.276 1.00 23.20 O ATOM 84 CB THR A 5 7.319 -3.138 -3.951 1.00 75.33 C ATOM 85 OG1 THR A 5 7.636 -1.851 -3.407 1.00 23.11 O ATOM 86 CG2 THR A 5 8.603 -3.891 -4.266 1.00 41.43 C ATOM 0 H THR A 5 4.819 -3.196 -3.924 1.00 72.32 H new ATOM 0 HA THR A 5 6.690 -2.024 -5.690 1.00 1.25 H new ATOM 0 HB THR A 5 6.750 -3.711 -3.219 1.00 75.33 H new ATOM 0 HG1 THR A 5 8.184 -1.962 -2.602 1.00 23.11 H new ATOM 0 HG21 THR A 5 9.197 -3.993 -3.358 1.00 41.43 H new ATOM 0 HG22 THR A 5 8.359 -4.881 -4.653 1.00 41.43 H new ATOM 0 HG23 THR A 5 9.174 -3.340 -5.014 1.00 41.43 H new ATOM 94 N PRO A 6 6.445 -5.347 -5.771 1.00 1.53 N ATOM 95 CA PRO A 6 6.685 -6.542 -6.587 1.00 21.21 C ATOM 96 C PRO A 6 5.773 -6.602 -7.808 1.00 64.41 C ATOM 97 O PRO A 6 6.111 -7.219 -8.818 1.00 40.14 O ATOM 98 CB PRO A 6 6.372 -7.694 -5.628 1.00 35.44 C ATOM 99 CG PRO A 6 5.424 -7.115 -4.636 1.00 64.23 C ATOM 100 CD PRO A 6 5.818 -5.672 -4.478 1.00 52.34 C ATOM 0 HA PRO A 6 7.698 -6.566 -6.988 1.00 21.21 H new ATOM 0 HB2 PRO A 6 5.927 -8.538 -6.155 1.00 35.44 H new ATOM 0 HB3 PRO A 6 7.276 -8.062 -5.143 1.00 35.44 H new ATOM 0 HG2 PRO A 6 4.395 -7.202 -4.983 1.00 64.23 H new ATOM 0 HG3 PRO A 6 5.485 -7.642 -3.684 1.00 64.23 H new ATOM 0 HD2 PRO A 6 4.953 -5.039 -4.280 1.00 52.34 H new ATOM 0 HD3 PRO A 6 6.512 -5.533 -3.649 1.00 52.34 H new ATOM 108 N LEU A 7 4.615 -5.958 -7.708 1.00 21.35 N ATOM 109 CA LEU A 7 3.654 -5.937 -8.805 1.00 72.14 C ATOM 110 C LEU A 7 3.924 -4.766 -9.744 1.00 45.14 C ATOM 111 O LEU A 7 3.464 -4.754 -10.885 1.00 51.41 O ATOM 112 CB LEU A 7 2.228 -5.851 -8.258 1.00 50.45 C ATOM 113 CG LEU A 7 1.115 -6.272 -9.218 1.00 14.24 C ATOM 114 CD1 LEU A 7 0.943 -7.783 -9.208 1.00 34.12 C ATOM 115 CD2 LEU A 7 -0.192 -5.582 -8.854 1.00 4.22 C ATOM 0 H LEU A 7 4.319 -5.444 -6.878 1.00 21.35 H new ATOM 0 HA LEU A 7 3.764 -6.863 -9.370 1.00 72.14 H new ATOM 0 HB2 LEU A 7 2.165 -6.473 -7.365 1.00 50.45 H new ATOM 0 HB3 LEU A 7 2.041 -4.824 -7.945 1.00 50.45 H new ATOM 0 HG LEU A 7 1.396 -5.966 -10.226 1.00 14.24 H new ATOM 0 HD11 LEU A 7 0.146 -8.063 -9.897 1.00 34.12 H new ATOM 0 HD12 LEU A 7 1.874 -8.257 -9.518 1.00 34.12 H new ATOM 0 HD13 LEU A 7 0.685 -8.113 -8.202 1.00 34.12 H new ATOM 0 HD21 LEU A 7 -0.973 -5.893 -9.548 1.00 4.22 H new ATOM 0 HD22 LEU A 7 -0.478 -5.857 -7.839 1.00 4.22 H new ATOM 0 HD23 LEU A 7 -0.062 -4.501 -8.915 1.00 4.22 H new ATOM 127 N ALA A 8 4.672 -3.783 -9.255 1.00 64.32 N ATOM 128 CA ALA A 8 5.005 -2.609 -10.051 1.00 74.44 C ATOM 129 C ALA A 8 5.581 -3.008 -11.404 1.00 12.33 C ATOM 130 O ALA A 8 5.416 -2.298 -12.396 1.00 64.31 O ATOM 131 CB ALA A 8 5.988 -1.722 -9.298 1.00 52.52 C ATOM 0 H ALA A 8 5.059 -3.776 -8.311 1.00 64.32 H new ATOM 0 HA ALA A 8 4.087 -2.048 -10.227 1.00 74.44 H new ATOM 0 HB1 ALA A 8 6.228 -0.849 -9.904 1.00 52.52 H new ATOM 0 HB2 ALA A 8 5.540 -1.399 -8.358 1.00 52.52 H new ATOM 0 HB3 ALA A 8 6.900 -2.283 -9.092 1.00 52.52 H new ATOM 137 N LYS A 9 6.259 -4.150 -11.439 1.00 54.43 N ATOM 138 CA LYS A 9 6.859 -4.646 -12.673 1.00 4.02 C ATOM 139 C LYS A 9 5.802 -5.262 -13.583 1.00 20.15 C ATOM 140 O LYS A 9 5.566 -4.777 -14.691 1.00 15.54 O ATOM 141 CB LYS A 9 7.940 -5.683 -12.356 1.00 2.30 C ATOM 142 CG LYS A 9 9.232 -5.469 -13.126 1.00 2.15 C ATOM 143 CD LYS A 9 10.391 -5.154 -12.194 1.00 3.21 C ATOM 144 CE LYS A 9 10.421 -3.678 -11.822 1.00 31.04 C ATOM 145 NZ LYS A 9 11.769 -3.253 -11.354 1.00 51.11 N ATOM 0 H LYS A 9 6.407 -4.750 -10.627 1.00 54.43 H new ATOM 0 HA LYS A 9 7.313 -3.802 -13.192 1.00 4.02 H new ATOM 0 HB2 LYS A 9 8.155 -5.657 -11.288 1.00 2.30 H new ATOM 0 HB3 LYS A 9 7.554 -6.678 -12.579 1.00 2.30 H new ATOM 0 HG2 LYS A 9 9.463 -6.362 -13.706 1.00 2.15 H new ATOM 0 HG3 LYS A 9 9.102 -4.652 -13.836 1.00 2.15 H new ATOM 0 HD2 LYS A 9 10.307 -5.757 -11.290 1.00 3.21 H new ATOM 0 HD3 LYS A 9 11.330 -5.429 -12.674 1.00 3.21 H new ATOM 0 HE2 LYS A 9 10.131 -3.080 -12.686 1.00 31.04 H new ATOM 0 HE3 LYS A 9 9.687 -3.485 -11.039 1.00 31.04 H new ATOM 0 HZ1 LYS A 9 11.749 -2.242 -11.110 1.00 51.11 H new ATOM 0 HZ2 LYS A 9 12.036 -3.806 -10.515 1.00 51.11 H new ATOM 0 HZ3 LYS A 9 12.465 -3.413 -12.110 1.00 51.11 H new ATOM 159 N ILE A 10 5.169 -6.330 -13.110 1.00 15.11 N ATOM 160 CA ILE A 10 4.135 -7.008 -13.883 1.00 22.21 C ATOM 161 C ILE A 10 3.069 -6.025 -14.356 1.00 11.20 C ATOM 162 O ILE A 10 2.407 -6.253 -15.370 1.00 24.21 O ATOM 163 CB ILE A 10 3.461 -8.124 -13.062 1.00 31.23 C ATOM 164 CG1 ILE A 10 3.135 -9.320 -13.959 1.00 14.42 C ATOM 165 CG2 ILE A 10 2.201 -7.599 -12.391 1.00 53.45 C ATOM 166 CD1 ILE A 10 4.361 -10.027 -14.492 1.00 5.43 C ATOM 0 H ILE A 10 5.353 -6.744 -12.196 1.00 15.11 H new ATOM 0 HA ILE A 10 4.627 -7.451 -14.749 1.00 22.21 H new ATOM 0 HB ILE A 10 4.152 -8.453 -12.286 1.00 31.23 H new ATOM 0 HG12 ILE A 10 2.531 -10.032 -13.396 1.00 14.42 H new ATOM 0 HG13 ILE A 10 2.528 -8.980 -14.798 1.00 14.42 H new ATOM 0 HG21 ILE A 10 1.736 -8.399 -11.815 1.00 53.45 H new ATOM 0 HG22 ILE A 10 2.459 -6.775 -11.726 1.00 53.45 H new ATOM 0 HG23 ILE A 10 1.504 -7.247 -13.151 1.00 53.45 H new ATOM 0 HD11 ILE A 10 4.054 -10.864 -15.119 1.00 5.43 H new ATOM 0 HD12 ILE A 10 4.955 -9.330 -15.082 1.00 5.43 H new ATOM 0 HD13 ILE A 10 4.958 -10.398 -13.659 1.00 5.43 H new ATOM 178 N ILE A 11 2.910 -4.932 -13.618 1.00 45.23 N ATOM 179 CA ILE A 11 1.926 -3.914 -13.964 1.00 65.15 C ATOM 180 C ILE A 11 2.091 -3.460 -15.411 1.00 2.31 C ATOM 181 O ILE A 11 1.137 -3.006 -16.041 1.00 14.04 O ATOM 182 CB ILE A 11 2.036 -2.688 -13.039 1.00 11.33 C ATOM 183 CG1 ILE A 11 0.644 -2.139 -12.716 1.00 72.33 C ATOM 184 CG2 ILE A 11 2.899 -1.613 -13.681 1.00 10.44 C ATOM 185 CD1 ILE A 11 -0.200 -3.082 -11.886 1.00 14.32 C ATOM 0 H ILE A 11 3.450 -4.729 -12.777 1.00 45.23 H new ATOM 0 HA ILE A 11 0.943 -4.369 -13.837 1.00 65.15 H new ATOM 0 HB ILE A 11 2.510 -2.997 -12.107 1.00 11.33 H new ATOM 0 HG12 ILE A 11 0.750 -1.194 -12.183 1.00 72.33 H new ATOM 0 HG13 ILE A 11 0.122 -1.922 -13.648 1.00 72.33 H new ATOM 0 HG21 ILE A 11 2.966 -0.754 -13.014 1.00 10.44 H new ATOM 0 HG22 ILE A 11 3.898 -2.009 -13.864 1.00 10.44 H new ATOM 0 HG23 ILE A 11 2.453 -1.304 -14.626 1.00 10.44 H new ATOM 0 HD11 ILE A 11 -1.172 -2.628 -11.695 1.00 14.32 H new ATOM 0 HD12 ILE A 11 -0.337 -4.019 -12.426 1.00 14.32 H new ATOM 0 HD13 ILE A 11 0.300 -3.279 -10.938 1.00 14.32 H new ATOM 197 N ALA A 12 3.308 -3.587 -15.930 1.00 34.21 N ATOM 198 CA ALA A 12 3.597 -3.195 -17.304 1.00 21.10 C ATOM 199 C ALA A 12 3.999 -4.400 -18.147 1.00 61.51 C ATOM 200 O ALA A 12 3.775 -4.426 -19.357 1.00 63.12 O ATOM 201 CB ALA A 12 4.693 -2.139 -17.331 1.00 72.21 C ATOM 0 H ALA A 12 4.109 -3.958 -15.420 1.00 34.21 H new ATOM 0 HA ALA A 12 2.689 -2.772 -17.734 1.00 21.10 H new ATOM 0 HB1 ALA A 12 4.899 -1.855 -18.363 1.00 72.21 H new ATOM 0 HB2 ALA A 12 4.367 -1.262 -16.771 1.00 72.21 H new ATOM 0 HB3 ALA A 12 5.598 -2.543 -16.878 1.00 72.21 H new ATOM 207 N HIS A 13 4.595 -5.396 -17.500 1.00 31.40 N ATOM 208 CA HIS A 13 5.029 -6.606 -18.191 1.00 35.20 C ATOM 209 C HIS A 13 3.888 -7.203 -19.010 1.00 2.41 C ATOM 210 O HIS A 13 4.106 -7.740 -20.096 1.00 61.44 O ATOM 211 CB HIS A 13 5.544 -7.636 -17.185 1.00 23.13 C ATOM 212 CG HIS A 13 6.612 -8.528 -17.736 1.00 32.54 C ATOM 213 ND1 HIS A 13 6.374 -9.478 -18.708 1.00 0.51 N ATOM 214 CD2 HIS A 13 7.933 -8.611 -17.448 1.00 53.03 C ATOM 215 CE1 HIS A 13 7.501 -10.106 -18.992 1.00 52.41 C ATOM 216 NE2 HIS A 13 8.462 -9.599 -18.241 1.00 31.34 N ATOM 0 H HIS A 13 4.789 -5.390 -16.499 1.00 31.40 H new ATOM 0 HA HIS A 13 5.838 -6.337 -18.870 1.00 35.20 H new ATOM 0 HB2 HIS A 13 5.933 -7.115 -16.310 1.00 23.13 H new ATOM 0 HB3 HIS A 13 4.709 -8.249 -16.846 1.00 23.13 H new ATOM 0 HD2 HIS A 13 8.470 -8.011 -16.728 1.00 53.03 H new ATOM 0 HE1 HIS A 13 7.617 -10.899 -19.716 1.00 52.41 H new ATOM 0 HE2 HIS A 13 9.438 -9.894 -18.249 1.00 31.34 H new ATOM 224 N ILE A 14 2.673 -7.104 -18.481 1.00 61.11 N ATOM 225 CA ILE A 14 1.498 -7.634 -19.163 1.00 73.32 C ATOM 226 C ILE A 14 1.146 -6.793 -20.386 1.00 5.44 C ATOM 227 O ILE A 14 0.692 -7.316 -21.403 1.00 20.14 O ATOM 228 CB ILE A 14 0.279 -7.691 -18.225 1.00 10.22 C ATOM 229 CG1 ILE A 14 -0.060 -6.291 -17.709 1.00 32.20 C ATOM 230 CG2 ILE A 14 0.548 -8.638 -17.064 1.00 41.14 C ATOM 231 CD1 ILE A 14 -0.845 -6.298 -16.417 1.00 54.11 C ATOM 0 H ILE A 14 2.476 -6.662 -17.583 1.00 61.11 H new ATOM 0 HA ILE A 14 1.748 -8.646 -19.481 1.00 73.32 H new ATOM 0 HB ILE A 14 -0.576 -8.068 -18.786 1.00 10.22 H new ATOM 0 HG12 ILE A 14 0.865 -5.734 -17.560 1.00 32.20 H new ATOM 0 HG13 ILE A 14 -0.633 -5.761 -18.470 1.00 32.20 H new ATOM 0 HG21 ILE A 14 -0.323 -8.668 -16.409 1.00 41.14 H new ATOM 0 HG22 ILE A 14 0.747 -9.638 -17.449 1.00 41.14 H new ATOM 0 HG23 ILE A 14 1.413 -8.287 -16.501 1.00 41.14 H new ATOM 0 HD11 ILE A 14 -1.050 -5.272 -16.110 1.00 54.11 H new ATOM 0 HD12 ILE A 14 -1.786 -6.827 -16.566 1.00 54.11 H new ATOM 0 HD13 ILE A 14 -0.266 -6.800 -15.642 1.00 54.11 H new ATOM 243 N ARG A 15 1.361 -5.485 -20.278 1.00 64.20 N ATOM 244 CA ARG A 15 1.067 -4.571 -21.375 1.00 31.31 C ATOM 245 C ARG A 15 2.152 -4.638 -22.445 1.00 4.10 C ATOM 246 O ARG A 15 2.006 -4.070 -23.527 1.00 63.10 O ATOM 247 CB ARG A 15 0.940 -3.138 -20.852 1.00 72.34 C ATOM 248 CG ARG A 15 -0.465 -2.779 -20.395 1.00 53.11 C ATOM 249 CD ARG A 15 -1.207 -1.978 -21.452 1.00 4.22 C ATOM 250 NE ARG A 15 -2.286 -1.180 -20.876 1.00 14.14 N ATOM 251 CZ ARG A 15 -3.275 -0.656 -21.593 1.00 33.52 C ATOM 252 NH1 ARG A 15 -3.321 -0.846 -22.903 1.00 73.40 N ATOM 253 NH2 ARG A 15 -4.220 0.059 -20.996 1.00 51.14 N ATOM 0 H ARG A 15 1.737 -5.036 -19.443 1.00 64.20 H new ATOM 0 HA ARG A 15 0.120 -4.874 -21.823 1.00 31.31 H new ATOM 0 HB2 ARG A 15 1.630 -3.002 -20.019 1.00 72.34 H new ATOM 0 HB3 ARG A 15 1.246 -2.445 -21.636 1.00 72.34 H new ATOM 0 HG2 ARG A 15 -1.020 -3.690 -20.171 1.00 53.11 H new ATOM 0 HG3 ARG A 15 -0.412 -2.203 -19.471 1.00 53.11 H new ATOM 0 HD2 ARG A 15 -0.506 -1.322 -21.968 1.00 4.22 H new ATOM 0 HD3 ARG A 15 -1.617 -2.657 -22.200 1.00 4.22 H new ATOM 0 HE ARG A 15 -2.280 -1.016 -19.869 1.00 14.14 H new ATOM 0 HH11 ARG A 15 -2.596 -1.396 -23.364 1.00 73.40 H new ATOM 0 HH12 ARG A 15 -4.081 -0.443 -23.450 1.00 73.40 H new ATOM 0 HH21 ARG A 15 -4.187 0.206 -19.987 1.00 51.14 H new ATOM 0 HH22 ARG A 15 -4.979 0.461 -21.546 1.00 51.14 H new ATOM 267 N GLU A 16 3.239 -5.336 -22.135 1.00 75.33 N ATOM 268 CA GLU A 16 4.349 -5.477 -23.071 1.00 44.22 C ATOM 269 C GLU A 16 4.380 -6.879 -23.673 1.00 55.11 C ATOM 270 O GLU A 16 4.630 -7.048 -24.866 1.00 15.12 O ATOM 271 CB GLU A 16 5.677 -5.183 -22.369 1.00 71.22 C ATOM 272 CG GLU A 16 6.687 -4.470 -23.253 1.00 42.34 C ATOM 273 CD GLU A 16 7.183 -3.173 -22.644 1.00 23.10 C ATOM 274 OE1 GLU A 16 7.248 -3.088 -21.399 1.00 54.33 O ATOM 275 OE2 GLU A 16 7.505 -2.243 -23.411 1.00 4.33 O ATOM 0 H GLU A 16 3.375 -5.813 -21.244 1.00 75.33 H new ATOM 0 HA GLU A 16 4.204 -4.758 -23.877 1.00 44.22 H new ATOM 0 HB2 GLU A 16 5.485 -4.573 -21.486 1.00 71.22 H new ATOM 0 HB3 GLU A 16 6.110 -6.121 -22.020 1.00 71.22 H new ATOM 0 HG2 GLU A 16 7.536 -5.130 -23.434 1.00 42.34 H new ATOM 0 HG3 GLU A 16 6.233 -4.262 -24.222 1.00 42.34 H new ATOM 282 N ILE A 17 4.124 -7.880 -22.838 1.00 22.12 N ATOM 283 CA ILE A 17 4.121 -9.267 -23.287 1.00 61.13 C ATOM 284 C ILE A 17 2.903 -9.561 -24.155 1.00 61.54 C ATOM 285 O ILE A 17 2.952 -10.411 -25.044 1.00 3.41 O ATOM 286 CB ILE A 17 4.138 -10.244 -22.097 1.00 61.44 C ATOM 287 CG1 ILE A 17 4.493 -11.654 -22.572 1.00 74.43 C ATOM 288 CG2 ILE A 17 2.791 -10.240 -21.389 1.00 61.53 C ATOM 289 CD1 ILE A 17 5.884 -11.765 -23.154 1.00 51.33 C ATOM 0 H ILE A 17 3.916 -7.757 -21.847 1.00 22.12 H new ATOM 0 HA ILE A 17 5.027 -9.410 -23.876 1.00 61.13 H new ATOM 0 HB ILE A 17 4.899 -9.918 -21.388 1.00 61.44 H new ATOM 0 HG12 ILE A 17 4.403 -12.344 -21.733 1.00 74.43 H new ATOM 0 HG13 ILE A 17 3.768 -11.969 -23.323 1.00 74.43 H new ATOM 0 HG21 ILE A 17 2.819 -10.936 -20.550 1.00 61.53 H new ATOM 0 HG22 ILE A 17 2.576 -9.237 -21.021 1.00 61.53 H new ATOM 0 HG23 ILE A 17 2.012 -10.545 -22.088 1.00 61.53 H new ATOM 0 HD11 ILE A 17 6.066 -12.792 -23.469 1.00 51.33 H new ATOM 0 HD12 ILE A 17 5.973 -11.101 -24.014 1.00 51.33 H new ATOM 0 HD13 ILE A 17 6.618 -11.482 -22.399 1.00 51.33 H new ATOM 301 N ALA A 18 1.810 -8.852 -23.891 1.00 13.23 N ATOM 302 CA ALA A 18 0.580 -9.034 -24.651 1.00 22.32 C ATOM 303 C ALA A 18 0.205 -7.762 -25.403 1.00 34.24 C ATOM 304 O ALA A 18 -0.593 -7.794 -26.338 1.00 61.34 O ATOM 305 CB ALA A 18 -0.553 -9.456 -23.728 1.00 62.43 C ATOM 0 H ALA A 18 1.752 -8.147 -23.157 1.00 13.23 H new ATOM 0 HA ALA A 18 0.750 -9.822 -25.385 1.00 22.32 H new ATOM 0 HB1 ALA A 18 -1.466 -9.588 -24.309 1.00 62.43 H new ATOM 0 HB2 ALA A 18 -0.294 -10.396 -23.240 1.00 62.43 H new ATOM 0 HB3 ALA A 18 -0.712 -8.687 -22.972 1.00 62.43 H new ATOM 311 N GLY A 19 0.788 -6.641 -24.988 1.00 53.23 N ATOM 312 CA GLY A 19 0.502 -5.373 -25.633 1.00 24.31 C ATOM 313 C GLY A 19 1.688 -4.837 -26.409 1.00 54.33 C ATOM 314 O GLY A 19 2.608 -5.582 -26.744 1.00 34.04 O ATOM 0 H GLY A 19 1.453 -6.589 -24.217 1.00 53.23 H new ATOM 0 HA2 GLY A 19 -0.345 -5.495 -26.308 1.00 24.31 H new ATOM 0 HA3 GLY A 19 0.206 -4.644 -24.879 1.00 24.31 H new TER 318 GLY A 19