USER MOD reduce.3.24.130724 H: found=0, std=0, add=166, rem=0, adj=4 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 Single : A 1 ILE N :NH3+ -151:sc= -0.226 (180deg=-0.93) USER MOD Single : A 11 SER OG : rot 87:sc= 0.0884 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= -0.211 (180deg=-0.254) USER MOD Single : A 19 LYS NZ :NH3+ -146:sc= -1.44 (180deg=-2.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 15.049 0.033 5.043 1.00 0.00 N ATOM 2 CA ILE A 1 15.353 -1.189 4.253 1.00 0.00 C ATOM 3 C ILE A 1 14.579 -1.200 2.941 1.00 0.00 C ATOM 4 O ILE A 1 13.348 -1.223 2.934 1.00 0.00 O ATOM 5 CB ILE A 1 15.013 -2.465 5.046 1.00 0.00 C ATOM 6 CG1 ILE A 1 15.598 -2.386 6.457 1.00 0.00 C ATOM 7 CG2 ILE A 1 15.532 -3.696 4.318 1.00 0.00 C ATOM 8 CD1 ILE A 1 15.235 -3.567 7.331 1.00 0.00 C ATOM 0 H1 ILE A 1 15.871 0.281 5.630 1.00 0.00 H new ATOM 0 H2 ILE A 1 14.835 0.820 4.397 1.00 0.00 H new ATOM 0 H3 ILE A 1 14.228 -0.145 5.656 1.00 0.00 H new ATOM 0 HA ILE A 1 16.422 -1.173 4.041 1.00 0.00 H new ATOM 0 HB ILE A 1 13.929 -2.546 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 1 16.684 -2.316 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 1 15.250 -1.470 6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 1 15.284 -4.589 4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 1 15.071 -3.757 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 1 16.614 -3.624 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 1 15.684 -3.442 8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 1 14.151 -3.626 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 1 15.608 -4.485 6.876 1.00 0.00 H new ATOM 22 N ILE A 2 15.311 -1.181 1.830 1.00 0.00 N ATOM 23 CA ILE A 2 14.698 -1.185 0.506 1.00 0.00 C ATOM 24 C ILE A 2 13.979 0.131 0.229 1.00 0.00 C ATOM 25 O ILE A 2 14.377 0.895 -0.650 1.00 0.00 O ATOM 26 CB ILE A 2 13.697 -2.346 0.345 1.00 0.00 C ATOM 27 CG1 ILE A 2 14.327 -3.664 0.799 1.00 0.00 C ATOM 28 CG2 ILE A 2 13.232 -2.447 -1.101 1.00 0.00 C ATOM 29 CD1 ILE A 2 13.310 -4.728 1.153 1.00 0.00 C ATOM 0 H ILE A 2 16.331 -1.163 1.821 1.00 0.00 H new ATOM 0 HA ILE A 2 15.508 -1.315 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 2 12.830 -2.146 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.974 -4.040 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.961 -3.475 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.526 -3.271 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.746 -1.516 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.091 -2.626 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.827 -5.635 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.678 -4.371 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.692 -4.945 0.282 1.00 0.00 H new ATOM 41 N GLY A 3 12.918 0.388 0.985 1.00 0.00 N ATOM 42 CA GLY A 3 12.157 1.611 0.808 1.00 0.00 C ATOM 43 C GLY A 3 10.782 1.530 1.448 1.00 0.00 C ATOM 44 O GLY A 3 9.997 0.643 1.114 1.00 0.00 O ATOM 0 H GLY A 3 12.571 -0.230 1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.708 2.446 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.049 1.818 -0.257 1.00 0.00 H new ATOM 48 N PRO A 4 10.455 2.442 2.383 1.00 0.00 N ATOM 49 CA PRO A 4 9.153 2.444 3.061 1.00 0.00 C ATOM 50 C PRO A 4 7.985 2.624 2.096 1.00 0.00 C ATOM 51 O PRO A 4 6.829 2.403 2.458 1.00 0.00 O ATOM 52 CB PRO A 4 9.239 3.636 4.021 1.00 0.00 C ATOM 53 CG PRO A 4 10.697 3.912 4.170 1.00 0.00 C ATOM 54 CD PRO A 4 11.322 3.532 2.859 1.00 0.00 C ATOM 0 HA PRO A 4 8.964 1.493 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.713 4.503 3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.782 3.401 4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.875 4.963 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.123 3.332 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.337 4.369 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.353 3.202 2.984 1.00 0.00 H new ATOM 62 N VAL A 5 8.291 3.025 0.870 1.00 0.00 N ATOM 63 CA VAL A 5 7.265 3.236 -0.144 1.00 0.00 C ATOM 64 C VAL A 5 6.515 1.944 -0.444 1.00 0.00 C ATOM 65 O VAL A 5 5.292 1.883 -0.333 1.00 0.00 O ATOM 66 CB VAL A 5 7.874 3.769 -1.453 1.00 0.00 C ATOM 67 CG1 VAL A 5 6.778 4.203 -2.415 1.00 0.00 C ATOM 68 CG2 VAL A 5 8.836 4.915 -1.172 1.00 0.00 C ATOM 0 H VAL A 5 9.242 3.211 0.552 1.00 0.00 H new ATOM 0 HA VAL A 5 6.571 3.974 0.258 1.00 0.00 H new ATOM 0 HB VAL A 5 8.438 2.963 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.228 4.577 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.137 3.352 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.182 4.992 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.255 5.277 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.301 5.726 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.641 4.564 -0.527 1.00 0.00 H new ATOM 78 N LEU A 6 7.260 0.912 -0.821 1.00 0.00 N ATOM 79 CA LEU A 6 6.674 -0.381 -1.136 1.00 0.00 C ATOM 80 C LEU A 6 5.878 -0.920 0.047 1.00 0.00 C ATOM 81 O LEU A 6 4.928 -1.683 -0.126 1.00 0.00 O ATOM 82 CB LEU A 6 7.766 -1.379 -1.528 1.00 0.00 C ATOM 83 CG LEU A 6 8.684 -1.820 -0.385 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.098 -3.025 0.335 1.00 0.00 C ATOM 85 CD2 LEU A 6 10.078 -2.134 -0.910 1.00 0.00 C ATOM 0 H LEU A 6 8.275 0.948 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 6 5.995 -0.248 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.292 -2.263 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.377 -0.935 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 6 8.764 -1.000 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.764 -3.325 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.122 -2.765 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.987 -3.851 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.716 -2.446 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.018 -2.937 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.499 -1.244 -1.378 1.00 0.00 H new ATOM 97 N GLY A 7 6.276 -0.519 1.250 1.00 0.00 N ATOM 98 CA GLY A 7 5.598 -0.970 2.443 1.00 0.00 C ATOM 99 C GLY A 7 4.329 -0.196 2.708 1.00 0.00 C ATOM 100 O GLY A 7 3.345 -0.753 3.195 1.00 0.00 O ATOM 0 H GLY A 7 7.059 0.113 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.361 -2.029 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.267 -0.871 3.298 1.00 0.00 H new ATOM 104 N LEU A 8 4.348 1.097 2.399 1.00 0.00 N ATOM 105 CA LEU A 8 3.184 1.934 2.630 1.00 0.00 C ATOM 106 C LEU A 8 2.117 1.718 1.562 1.00 0.00 C ATOM 107 O LEU A 8 0.926 1.661 1.870 1.00 0.00 O ATOM 108 CB LEU A 8 3.576 3.411 2.721 1.00 0.00 C ATOM 109 CG LEU A 8 3.707 4.121 1.382 1.00 0.00 C ATOM 110 CD1 LEU A 8 2.384 4.758 0.978 1.00 0.00 C ATOM 111 CD2 LEU A 8 4.815 5.162 1.431 1.00 0.00 C ATOM 0 H LEU A 8 5.149 1.580 1.993 1.00 0.00 H new ATOM 0 HA LEU A 8 2.755 1.639 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.832 3.933 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.525 3.488 3.251 1.00 0.00 H new ATOM 0 HG LEU A 8 3.971 3.380 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.500 5.260 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.619 3.986 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.084 5.484 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.892 5.658 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.587 5.900 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.762 4.675 1.665 1.00 0.00 H new ATOM 123 N VAL A 9 2.541 1.586 0.310 1.00 0.00 N ATOM 124 CA VAL A 9 1.601 1.368 -0.780 1.00 0.00 C ATOM 125 C VAL A 9 0.893 0.032 -0.607 1.00 0.00 C ATOM 126 O VAL A 9 -0.316 -0.071 -0.811 1.00 0.00 O ATOM 127 CB VAL A 9 2.296 1.406 -2.154 1.00 0.00 C ATOM 128 CG1 VAL A 9 1.290 1.147 -3.268 1.00 0.00 C ATOM 129 CG2 VAL A 9 2.995 2.742 -2.359 1.00 0.00 C ATOM 0 H VAL A 9 3.520 1.626 0.028 1.00 0.00 H new ATOM 0 HA VAL A 9 0.873 2.179 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 9 3.048 0.618 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.798 1.178 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.837 0.166 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.514 1.912 -3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.481 2.752 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.262 3.547 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.743 2.885 -1.579 1.00 0.00 H new ATOM 139 N GLY A 10 1.651 -0.986 -0.208 1.00 0.00 N ATOM 140 CA GLY A 10 1.072 -2.296 0.006 1.00 0.00 C ATOM 141 C GLY A 10 0.033 -2.266 1.104 1.00 0.00 C ATOM 142 O GLY A 10 -0.891 -3.078 1.123 1.00 0.00 O ATOM 0 H GLY A 10 2.653 -0.925 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.616 -2.650 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.858 -3.005 0.266 1.00 0.00 H new ATOM 146 N SER A 11 0.177 -1.306 2.011 1.00 0.00 N ATOM 147 CA SER A 11 -0.762 -1.150 3.111 1.00 0.00 C ATOM 148 C SER A 11 -2.005 -0.430 2.618 1.00 0.00 C ATOM 149 O SER A 11 -3.130 -0.845 2.893 1.00 0.00 O ATOM 150 CB SER A 11 -0.121 -0.375 4.263 1.00 0.00 C ATOM 151 OG SER A 11 0.764 -1.199 5.002 1.00 0.00 O ATOM 0 H SER A 11 0.936 -0.625 2.004 1.00 0.00 H new ATOM 0 HA SER A 11 -1.040 -2.137 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.421 0.485 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.898 0.012 4.922 1.00 0.00 H new ATOM 0 HG SER A 11 1.653 -1.178 4.589 1.00 0.00 H new ATOM 157 N ALA A 12 -1.787 0.636 1.855 1.00 0.00 N ATOM 158 CA ALA A 12 -2.883 1.400 1.286 1.00 0.00 C ATOM 159 C ALA A 12 -3.539 0.619 0.156 1.00 0.00 C ATOM 160 O ALA A 12 -4.588 1.003 -0.360 1.00 0.00 O ATOM 161 CB ALA A 12 -2.391 2.750 0.789 1.00 0.00 C ATOM 0 H ALA A 12 -0.859 0.988 1.618 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.626 1.574 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.226 3.308 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.964 3.310 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.630 2.600 0.023 1.00 0.00 H new ATOM 167 N LEU A 13 -2.905 -0.487 -0.218 1.00 0.00 N ATOM 168 CA LEU A 13 -3.400 -1.345 -1.277 1.00 0.00 C ATOM 169 C LEU A 13 -4.607 -2.140 -0.794 1.00 0.00 C ATOM 170 O LEU A 13 -5.568 -2.345 -1.536 1.00 0.00 O ATOM 171 CB LEU A 13 -2.271 -2.273 -1.755 1.00 0.00 C ATOM 172 CG LEU A 13 -2.399 -3.744 -1.348 1.00 0.00 C ATOM 173 CD1 LEU A 13 -3.448 -4.446 -2.199 1.00 0.00 C ATOM 174 CD2 LEU A 13 -1.054 -4.451 -1.465 1.00 0.00 C ATOM 0 H LEU A 13 -2.035 -0.810 0.206 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.724 -0.734 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.219 -2.220 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.325 -1.891 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.719 -3.785 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.524 -5.490 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.413 -3.957 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.159 -4.394 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.165 -5.495 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.704 -4.399 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.330 -3.965 -0.811 1.00 0.00 H new ATOM 186 N GLY A 14 -4.561 -2.564 0.465 1.00 0.00 N ATOM 187 CA GLY A 14 -5.666 -3.304 1.033 1.00 0.00 C ATOM 188 C GLY A 14 -6.690 -2.359 1.612 1.00 0.00 C ATOM 189 O GLY A 14 -7.877 -2.675 1.691 1.00 0.00 O ATOM 0 H GLY A 14 -3.778 -2.407 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.128 -3.926 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.301 -3.975 1.810 1.00 0.00 H new ATOM 193 N GLY A 15 -6.215 -1.181 2.001 1.00 0.00 N ATOM 194 CA GLY A 15 -7.083 -0.174 2.556 1.00 0.00 C ATOM 195 C GLY A 15 -7.902 0.516 1.485 1.00 0.00 C ATOM 196 O GLY A 15 -9.091 0.764 1.669 1.00 0.00 O ATOM 0 H GLY A 15 -5.234 -0.909 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.751 -0.632 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.487 0.566 3.090 1.00 0.00 H new ATOM 200 N LEU A 16 -7.268 0.807 0.350 1.00 0.00 N ATOM 201 CA LEU A 16 -7.952 1.451 -0.761 1.00 0.00 C ATOM 202 C LEU A 16 -8.803 0.432 -1.505 1.00 0.00 C ATOM 203 O LEU A 16 -9.734 0.782 -2.229 1.00 0.00 O ATOM 204 CB LEU A 16 -6.934 2.077 -1.716 1.00 0.00 C ATOM 205 CG LEU A 16 -7.512 3.087 -2.712 1.00 0.00 C ATOM 206 CD1 LEU A 16 -6.879 4.456 -2.516 1.00 0.00 C ATOM 207 CD2 LEU A 16 -7.311 2.605 -4.141 1.00 0.00 C ATOM 0 H LEU A 16 -6.283 0.606 0.179 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.597 2.238 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.163 2.573 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.445 1.279 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.583 3.175 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.303 5.159 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.077 4.807 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.802 4.385 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.728 3.336 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.246 2.485 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.815 1.648 -4.276 1.00 0.00 H new ATOM 219 N LEU A 17 -8.460 -0.834 -1.307 1.00 0.00 N ATOM 220 CA LEU A 17 -9.147 -1.942 -1.930 1.00 0.00 C ATOM 221 C LEU A 17 -10.469 -2.217 -1.237 1.00 0.00 C ATOM 222 O LEU A 17 -11.370 -2.832 -1.808 1.00 0.00 O ATOM 223 CB LEU A 17 -8.251 -3.187 -1.901 1.00 0.00 C ATOM 224 CG LEU A 17 -8.942 -4.514 -2.227 1.00 0.00 C ATOM 225 CD1 LEU A 17 -9.218 -4.625 -3.720 1.00 0.00 C ATOM 226 CD2 LEU A 17 -8.089 -5.682 -1.754 1.00 0.00 C ATOM 0 H LEU A 17 -7.689 -1.116 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.363 -1.684 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.435 -3.041 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.803 -3.266 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.897 -4.544 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.709 -5.575 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.865 -3.805 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.278 -4.574 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.592 -6.619 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.121 -5.652 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.942 -5.612 -0.676 1.00 0.00 H new ATOM 238 N LYS A 18 -10.567 -1.784 0.011 1.00 0.00 N ATOM 239 CA LYS A 18 -11.758 -2.012 0.793 1.00 0.00 C ATOM 240 C LYS A 18 -12.976 -1.334 0.164 1.00 0.00 C ATOM 241 O LYS A 18 -14.016 -1.966 -0.022 1.00 0.00 O ATOM 242 CB LYS A 18 -11.523 -1.572 2.254 1.00 0.00 C ATOM 243 CG LYS A 18 -12.356 -0.388 2.729 1.00 0.00 C ATOM 244 CD LYS A 18 -11.496 0.682 3.379 1.00 0.00 C ATOM 245 CE LYS A 18 -11.391 1.910 2.492 1.00 0.00 C ATOM 246 NZ LYS A 18 -12.341 2.980 2.907 1.00 0.00 N ATOM 0 H LYS A 18 -9.831 -1.273 0.498 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.976 -3.080 0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.726 -2.421 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.469 -1.323 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.893 0.041 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.106 -0.733 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.923 0.961 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.500 0.284 3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.372 2.296 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.591 1.629 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.145 3.847 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.316 2.669 2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.225 3.172 3.923 1.00 0.00 H new ATOM 260 N LYS A 19 -12.845 -0.052 -0.168 1.00 0.00 N ATOM 261 CA LYS A 19 -13.945 0.686 -0.775 1.00 0.00 C ATOM 262 C LYS A 19 -13.871 0.638 -2.300 1.00 0.00 C ATOM 263 O LYS A 19 -14.806 1.043 -2.991 1.00 0.00 O ATOM 264 CB LYS A 19 -13.955 2.133 -0.262 1.00 0.00 C ATOM 265 CG LYS A 19 -13.385 3.152 -1.234 1.00 0.00 C ATOM 266 CD LYS A 19 -11.965 2.807 -1.637 1.00 0.00 C ATOM 267 CE LYS A 19 -10.994 3.018 -0.498 1.00 0.00 C ATOM 268 NZ LYS A 19 -10.094 4.180 -0.740 1.00 0.00 N ATOM 0 H LYS A 19 -11.994 0.492 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 19 -14.882 0.210 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.981 2.413 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.387 2.179 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.014 3.199 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.404 4.141 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.922 1.768 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.668 3.422 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.549 3.176 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.395 2.118 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.159 3.986 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.997 4.337 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.497 5.030 -0.297 1.00 0.00 H new ATOM 282 N ILE A 20 -12.740 0.163 -2.812 1.00 0.00 N ATOM 283 CA ILE A 20 -12.518 0.084 -4.249 1.00 0.00 C ATOM 284 C ILE A 20 -13.717 -0.528 -4.975 1.00 0.00 C ATOM 285 O ILE A 20 -13.871 -0.266 -6.186 1.00 0.00 O ATOM 286 CB ILE A 20 -11.244 -0.726 -4.571 1.00 0.00 C ATOM 287 CG1 ILE A 20 -10.726 -0.371 -5.966 1.00 0.00 C ATOM 288 CG2 ILE A 20 -11.505 -2.223 -4.460 1.00 0.00 C ATOM 289 CD1 ILE A 20 -10.092 1.001 -6.043 1.00 0.00 C ATOM 290 OXT ILE A 20 -14.490 -1.263 -4.324 1.00 0.00 O ATOM 0 H ILE A 20 -11.960 -0.174 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 20 -12.388 1.106 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.480 -0.464 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.995 -1.118 -6.275 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -11.552 -0.421 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.591 -2.770 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -11.824 -2.463 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.287 -2.509 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.747 1.186 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.826 1.757 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.245 1.049 -5.359 1.00 0.00 H new TER 302 ILE A 20