USER MOD reduce.3.24.130724 H: found=0, std=0, add=166, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 166 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 Set 1.1: A 18 LYS NZ :NH3+ 129:sc= -0.07 (180deg=0) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 180:sc= -1.01 (180deg=-0.982) USER MOD Single : A 1 ILE N :NH3+ -116:sc= -2.83 (180deg=-5.91!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.517 -3.797 1.358 1.00 0.00 N ATOM 2 CA ILE A 1 11.509 -4.588 0.572 1.00 0.00 C ATOM 3 C ILE A 1 12.801 -3.797 0.374 1.00 0.00 C ATOM 4 O ILE A 1 13.858 -4.181 0.874 1.00 0.00 O ATOM 5 CB ILE A 1 10.957 -4.996 -0.815 1.00 0.00 C ATOM 6 CG1 ILE A 1 9.596 -5.686 -0.685 1.00 0.00 C ATOM 7 CG2 ILE A 1 11.942 -5.912 -1.529 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.580 -5.210 -1.700 1.00 0.00 C ATOM 0 H1 ILE A 1 10.328 -4.277 2.261 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.899 -2.847 1.543 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.632 -3.715 0.818 1.00 0.00 H new ATOM 0 HA ILE A 1 11.711 -5.491 1.147 1.00 0.00 H new ATOM 0 HB ILE A 1 10.825 -4.089 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.731 -6.762 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 1 9.204 -5.514 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 1 11.540 -6.190 -2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 1 12.891 -5.392 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 1 12.102 -6.810 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 1 7.640 -5.740 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.416 -4.139 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.951 -5.407 -2.706 1.00 0.00 H new ATOM 22 N ILE A 2 12.706 -2.690 -0.358 1.00 0.00 N ATOM 23 CA ILE A 2 13.864 -1.843 -0.621 1.00 0.00 C ATOM 24 C ILE A 2 13.512 -0.368 -0.453 1.00 0.00 C ATOM 25 O ILE A 2 13.941 0.480 -1.237 1.00 0.00 O ATOM 26 CB ILE A 2 14.418 -2.072 -2.043 1.00 0.00 C ATOM 27 CG1 ILE A 2 14.512 -3.569 -2.346 1.00 0.00 C ATOM 28 CG2 ILE A 2 15.780 -1.410 -2.193 1.00 0.00 C ATOM 29 CD1 ILE A 2 14.680 -3.880 -3.817 1.00 0.00 C ATOM 0 H ILE A 2 11.838 -2.359 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 2 14.630 -2.116 0.105 1.00 0.00 H new ATOM 0 HB ILE A 2 13.733 -1.619 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 2 15.353 -3.990 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.612 -4.063 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.158 -1.580 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.685 -0.339 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.474 -1.837 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.739 -4.959 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.827 -3.489 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 2 15.595 -3.416 -4.185 1.00 0.00 H new ATOM 41 N GLY A 3 12.725 -0.068 0.577 1.00 0.00 N ATOM 42 CA GLY A 3 12.323 1.303 0.836 1.00 0.00 C ATOM 43 C GLY A 3 11.039 1.377 1.647 1.00 0.00 C ATOM 44 O GLY A 3 10.035 0.778 1.267 1.00 0.00 O ATOM 0 H GLY A 3 12.358 -0.752 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 3 13.120 1.819 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.184 1.825 -0.111 1.00 0.00 H new ATOM 48 N PRO A 4 11.040 2.097 2.783 1.00 0.00 N ATOM 49 CA PRO A 4 9.853 2.221 3.639 1.00 0.00 C ATOM 50 C PRO A 4 8.635 2.745 2.892 1.00 0.00 C ATOM 51 O PRO A 4 7.497 2.520 3.302 1.00 0.00 O ATOM 52 CB PRO A 4 10.283 3.220 4.715 1.00 0.00 C ATOM 53 CG PRO A 4 11.771 3.155 4.733 1.00 0.00 C ATOM 54 CD PRO A 4 12.193 2.834 3.327 1.00 0.00 C ATOM 0 HA PRO A 4 9.546 1.252 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.935 4.226 4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.865 2.957 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.198 4.103 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.119 2.391 5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.399 3.738 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.101 2.231 3.308 1.00 0.00 H new ATOM 62 N VAL A 5 8.883 3.448 1.800 1.00 0.00 N ATOM 63 CA VAL A 5 7.809 4.017 0.992 1.00 0.00 C ATOM 64 C VAL A 5 6.792 2.954 0.594 1.00 0.00 C ATOM 65 O VAL A 5 5.599 3.088 0.870 1.00 0.00 O ATOM 66 CB VAL A 5 8.362 4.679 -0.282 1.00 0.00 C ATOM 67 CG1 VAL A 5 7.258 5.413 -1.029 1.00 0.00 C ATOM 68 CG2 VAL A 5 9.504 5.623 0.060 1.00 0.00 C ATOM 0 H VAL A 5 9.821 3.641 1.449 1.00 0.00 H new ATOM 0 HA VAL A 5 7.318 4.771 1.607 1.00 0.00 H new ATOM 0 HB VAL A 5 8.750 3.897 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.670 5.874 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.477 4.707 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.835 6.185 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.883 6.082 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.144 6.400 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.305 5.065 0.544 1.00 0.00 H new ATOM 78 N LEU A 6 7.271 1.894 -0.047 1.00 0.00 N ATOM 79 CA LEU A 6 6.405 0.805 -0.476 1.00 0.00 C ATOM 80 C LEU A 6 5.619 0.244 0.704 1.00 0.00 C ATOM 81 O LEU A 6 4.524 -0.292 0.536 1.00 0.00 O ATOM 82 CB LEU A 6 7.221 -0.305 -1.142 1.00 0.00 C ATOM 83 CG LEU A 6 8.099 -1.126 -0.197 1.00 0.00 C ATOM 84 CD1 LEU A 6 7.297 -2.254 0.438 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.307 -1.673 -0.944 1.00 0.00 C ATOM 0 H LEU A 6 8.256 1.767 -0.281 1.00 0.00 H new ATOM 0 HA LEU A 6 5.699 1.203 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.535 -0.981 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.857 0.142 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 6 8.454 -0.475 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.940 -2.826 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.465 -1.835 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.910 -2.910 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.924 -2.256 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.971 -2.310 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.892 -0.845 -1.345 1.00 0.00 H new ATOM 97 N GLY A 7 6.182 0.382 1.902 1.00 0.00 N ATOM 98 CA GLY A 7 5.519 -0.107 3.090 1.00 0.00 C ATOM 99 C GLY A 7 4.357 0.774 3.466 1.00 0.00 C ATOM 100 O GLY A 7 3.360 0.303 4.012 1.00 0.00 O ATOM 0 H GLY A 7 7.086 0.825 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.167 -1.125 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.230 -0.148 3.915 1.00 0.00 H new ATOM 104 N LEU A 8 4.481 2.061 3.160 1.00 0.00 N ATOM 105 CA LEU A 8 3.423 3.005 3.460 1.00 0.00 C ATOM 106 C LEU A 8 2.302 2.862 2.446 1.00 0.00 C ATOM 107 O LEU A 8 1.132 2.742 2.809 1.00 0.00 O ATOM 108 CB LEU A 8 3.955 4.440 3.465 1.00 0.00 C ATOM 109 CG LEU A 8 5.263 4.646 4.229 1.00 0.00 C ATOM 110 CD1 LEU A 8 5.675 6.111 4.202 1.00 0.00 C ATOM 111 CD2 LEU A 8 5.128 4.153 5.664 1.00 0.00 C ATOM 0 H LEU A 8 5.300 2.468 2.707 1.00 0.00 H new ATOM 0 HA LEU A 8 3.036 2.786 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.101 4.760 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.194 5.091 3.896 1.00 0.00 H new ATOM 0 HG LEU A 8 6.042 4.063 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.608 6.237 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.816 6.430 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.897 6.717 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.069 4.308 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.335 4.707 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.884 3.091 5.662 1.00 0.00 H new ATOM 123 N VAL A 9 2.670 2.842 1.169 1.00 0.00 N ATOM 124 CA VAL A 9 1.692 2.679 0.106 1.00 0.00 C ATOM 125 C VAL A 9 0.998 1.333 0.253 1.00 0.00 C ATOM 126 O VAL A 9 -0.182 1.188 -0.065 1.00 0.00 O ATOM 127 CB VAL A 9 2.341 2.768 -1.287 1.00 0.00 C ATOM 128 CG1 VAL A 9 1.274 2.763 -2.374 1.00 0.00 C ATOM 129 CG2 VAL A 9 3.214 4.010 -1.388 1.00 0.00 C ATOM 0 H VAL A 9 3.634 2.936 0.849 1.00 0.00 H new ATOM 0 HA VAL A 9 0.968 3.489 0.193 1.00 0.00 H new ATOM 0 HB VAL A 9 2.976 1.894 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.751 2.827 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.695 1.841 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.611 3.618 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.665 4.058 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.604 4.898 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.999 3.965 -0.633 1.00 0.00 H new ATOM 139 N GLY A 10 1.741 0.354 0.770 1.00 0.00 N ATOM 140 CA GLY A 10 1.183 -0.963 0.987 1.00 0.00 C ATOM 141 C GLY A 10 0.036 -0.907 1.968 1.00 0.00 C ATOM 142 O GLY A 10 -0.922 -1.674 1.870 1.00 0.00 O ATOM 0 H GLY A 10 2.719 0.455 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.837 -1.376 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.956 -1.633 1.363 1.00 0.00 H new ATOM 146 N SER A 11 0.133 0.028 2.910 1.00 0.00 N ATOM 147 CA SER A 11 -0.903 0.214 3.912 1.00 0.00 C ATOM 148 C SER A 11 -2.179 0.713 3.251 1.00 0.00 C ATOM 149 O SER A 11 -3.253 0.138 3.432 1.00 0.00 O ATOM 150 CB SER A 11 -0.440 1.210 4.978 1.00 0.00 C ATOM 151 OG SER A 11 -1.266 1.148 6.128 1.00 0.00 O ATOM 0 H SER A 11 0.922 0.668 2.997 1.00 0.00 H new ATOM 0 HA SER A 11 -1.102 -0.744 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.592 0.996 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.457 2.220 4.568 1.00 0.00 H new ATOM 0 HG SER A 11 -0.948 1.793 6.794 1.00 0.00 H new ATOM 157 N ALA A 12 -2.045 1.775 2.461 1.00 0.00 N ATOM 158 CA ALA A 12 -3.179 2.339 1.746 1.00 0.00 C ATOM 159 C ALA A 12 -3.611 1.404 0.629 1.00 0.00 C ATOM 160 O ALA A 12 -4.715 1.507 0.095 1.00 0.00 O ATOM 161 CB ALA A 12 -2.832 3.714 1.194 1.00 0.00 C ATOM 0 H ALA A 12 -1.162 2.260 2.302 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.010 2.453 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.692 4.120 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.566 4.379 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.989 3.629 0.508 1.00 0.00 H new ATOM 167 N LEU A 13 -2.719 0.488 0.296 1.00 0.00 N ATOM 168 CA LEU A 13 -2.959 -0.497 -0.742 1.00 0.00 C ATOM 169 C LEU A 13 -3.951 -1.552 -0.273 1.00 0.00 C ATOM 170 O LEU A 13 -4.678 -2.130 -1.078 1.00 0.00 O ATOM 171 CB LEU A 13 -1.645 -1.153 -1.133 1.00 0.00 C ATOM 172 CG LEU A 13 -0.954 -0.547 -2.354 1.00 0.00 C ATOM 173 CD1 LEU A 13 0.407 -1.191 -2.570 1.00 0.00 C ATOM 174 CD2 LEU A 13 -1.826 -0.706 -3.591 1.00 0.00 C ATOM 0 H LEU A 13 -1.804 0.407 0.740 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.387 0.007 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.963 -1.098 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.828 -2.210 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.804 0.518 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.885 -0.747 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.031 -1.026 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.282 -2.262 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.320 -0.269 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.007 -1.765 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.777 -0.198 -3.433 1.00 0.00 H new ATOM 186 N GLY A 14 -3.983 -1.788 1.036 1.00 0.00 N ATOM 187 CA GLY A 14 -4.901 -2.762 1.587 1.00 0.00 C ATOM 188 C GLY A 14 -6.228 -2.124 1.910 1.00 0.00 C ATOM 189 O GLY A 14 -7.280 -2.757 1.810 1.00 0.00 O ATOM 0 H GLY A 14 -3.389 -1.321 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.047 -3.574 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.474 -3.201 2.489 1.00 0.00 H new ATOM 193 N GLY A 15 -6.172 -0.852 2.282 1.00 0.00 N ATOM 194 CA GLY A 15 -7.371 -0.118 2.601 1.00 0.00 C ATOM 195 C GLY A 15 -8.140 0.264 1.354 1.00 0.00 C ATOM 196 O GLY A 15 -9.370 0.249 1.341 1.00 0.00 O ATOM 0 H GLY A 15 -5.308 -0.316 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.006 -0.721 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.110 0.782 3.158 1.00 0.00 H new ATOM 200 N LEU A 16 -7.404 0.584 0.293 1.00 0.00 N ATOM 201 CA LEU A 16 -8.005 0.949 -0.981 1.00 0.00 C ATOM 202 C LEU A 16 -8.489 -0.300 -1.705 1.00 0.00 C ATOM 203 O LEU A 16 -9.260 -0.226 -2.661 1.00 0.00 O ATOM 204 CB LEU A 16 -6.986 1.680 -1.851 1.00 0.00 C ATOM 205 CG LEU A 16 -6.733 3.142 -1.474 1.00 0.00 C ATOM 206 CD1 LEU A 16 -5.352 3.580 -1.935 1.00 0.00 C ATOM 207 CD2 LEU A 16 -7.805 4.039 -2.073 1.00 0.00 C ATOM 0 H LEU A 16 -6.384 0.597 0.294 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.853 1.607 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.040 1.141 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.324 1.642 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.777 3.231 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.190 4.622 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.595 2.956 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.280 3.476 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.610 5.075 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.792 3.946 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.783 3.740 -1.695 1.00 0.00 H new ATOM 219 N LEU A 17 -8.013 -1.445 -1.232 1.00 0.00 N ATOM 220 CA LEU A 17 -8.350 -2.734 -1.799 1.00 0.00 C ATOM 221 C LEU A 17 -9.761 -3.136 -1.419 1.00 0.00 C ATOM 222 O LEU A 17 -10.382 -3.969 -2.078 1.00 0.00 O ATOM 223 CB LEU A 17 -7.362 -3.791 -1.304 1.00 0.00 C ATOM 224 CG LEU A 17 -7.072 -4.944 -2.270 1.00 0.00 C ATOM 225 CD1 LEU A 17 -8.338 -5.736 -2.566 1.00 0.00 C ATOM 226 CD2 LEU A 17 -6.444 -4.421 -3.556 1.00 0.00 C ATOM 0 H LEU A 17 -7.377 -1.500 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.291 -2.660 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.420 -3.296 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.745 -4.210 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.360 -5.617 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.106 -6.549 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.735 -6.148 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.081 -5.079 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.245 -5.255 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.128 -3.722 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.509 -3.912 -3.323 1.00 0.00 H new ATOM 238 N LYS A 18 -10.251 -2.559 -0.332 1.00 0.00 N ATOM 239 CA LYS A 18 -11.568 -2.883 0.152 1.00 0.00 C ATOM 240 C LYS A 18 -12.644 -2.484 -0.857 1.00 0.00 C ATOM 241 O LYS A 18 -13.531 -3.278 -1.169 1.00 0.00 O ATOM 242 CB LYS A 18 -11.793 -2.265 1.548 1.00 0.00 C ATOM 243 CG LYS A 18 -12.793 -1.115 1.611 1.00 0.00 C ATOM 244 CD LYS A 18 -12.177 0.135 2.220 1.00 0.00 C ATOM 245 CE LYS A 18 -12.071 1.251 1.194 1.00 0.00 C ATOM 246 NZ LYS A 18 -13.090 2.314 1.424 1.00 0.00 N ATOM 0 H LYS A 18 -9.751 -1.866 0.225 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.647 -3.964 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.130 -3.052 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.835 -1.909 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.153 -0.891 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.659 -1.418 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.783 0.468 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.187 -0.098 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.074 1.689 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.197 0.838 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.624 3.243 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.791 2.295 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.567 2.147 2.333 1.00 0.00 H new ATOM 260 N LYS A 19 -12.561 -1.261 -1.375 1.00 0.00 N ATOM 261 CA LYS A 19 -13.533 -0.788 -2.352 1.00 0.00 C ATOM 262 C LYS A 19 -13.056 -1.050 -3.781 1.00 0.00 C ATOM 263 O LYS A 19 -13.825 -0.929 -4.734 1.00 0.00 O ATOM 264 CB LYS A 19 -13.826 0.703 -2.135 1.00 0.00 C ATOM 265 CG LYS A 19 -13.092 1.633 -3.085 1.00 0.00 C ATOM 266 CD LYS A 19 -11.590 1.430 -3.019 1.00 0.00 C ATOM 267 CE LYS A 19 -10.977 2.043 -1.777 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.786 3.173 -1.237 1.00 0.00 N ATOM 0 H LYS A 19 -11.836 -0.585 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 19 -14.458 -1.346 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.898 0.869 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.562 0.967 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.438 1.460 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.331 2.668 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.369 0.363 -3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.128 1.869 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.874 1.275 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.973 2.398 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.323 3.557 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.863 3.920 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.737 2.832 -0.989 1.00 0.00 H new ATOM 282 N ILE A 20 -11.773 -1.379 -3.922 1.00 0.00 N ATOM 283 CA ILE A 20 -11.186 -1.623 -5.232 1.00 0.00 C ATOM 284 C ILE A 20 -12.005 -2.636 -6.034 1.00 0.00 C ATOM 285 O ILE A 20 -12.678 -3.481 -5.406 1.00 0.00 O ATOM 286 CB ILE A 20 -9.719 -2.104 -5.119 1.00 0.00 C ATOM 287 CG1 ILE A 20 -8.915 -1.639 -6.333 1.00 0.00 C ATOM 288 CG2 ILE A 20 -9.643 -3.616 -4.976 1.00 0.00 C ATOM 289 CD1 ILE A 20 -7.546 -1.099 -5.982 1.00 0.00 C ATOM 290 OXT ILE A 20 -11.966 -2.575 -7.281 1.00 0.00 O ATOM 0 H ILE A 20 -11.123 -1.482 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 20 -11.197 -0.671 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 20 -9.287 -1.663 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.801 -2.474 -7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.478 -0.866 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.600 -3.922 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.179 -3.924 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.096 -4.087 -5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.033 -0.788 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.652 -0.243 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.965 -1.876 -5.485 1.00 0.00 H new TER 302 ILE A 20