USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 184 hydrogens (2 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 PHE N :NH3+ -104:sc= 0.237 (180deg=-0.0642) USER MOD Single : A 7 ASN : amide:sc= -0.397 K(o=-0.4,f=-3.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -4.36! (180deg=-5.02!) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= -0.179 (180deg=-0.944) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.933 0.990 -6.170 1.00 0.00 N ATOM 2 CA PHE A 1 5.567 -0.348 -5.634 1.00 0.00 C ATOM 3 C PHE A 1 6.553 -0.747 -4.535 1.00 0.00 C ATOM 4 O PHE A 1 6.840 -1.932 -4.351 1.00 0.00 O ATOM 5 CB PHE A 1 5.587 -1.390 -6.766 1.00 0.00 C ATOM 6 CG PHE A 1 6.919 -1.350 -7.478 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.166 -0.377 -8.454 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.908 -2.289 -7.160 1.00 0.00 C ATOM 9 CE1 PHE A 1 8.402 -0.339 -9.108 1.00 0.00 C ATOM 10 CE2 PHE A 1 9.145 -2.250 -7.817 1.00 0.00 C ATOM 11 CZ PHE A 1 9.392 -1.276 -8.791 1.00 0.00 C ATOM 0 H1 PHE A 1 5.278 1.705 -5.795 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.904 1.226 -5.882 1.00 0.00 H new ATOM 0 H3 PHE A 1 5.873 0.976 -7.208 1.00 0.00 H new ATOM 0 HA PHE A 1 4.562 -0.305 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 1 5.412 -2.386 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.781 -1.189 -7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.402 0.345 -8.702 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.718 -3.042 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 1 8.592 0.414 -9.858 1.00 0.00 H new ATOM 0 HE2 PHE A 1 9.909 -2.973 -7.571 1.00 0.00 H new ATOM 0 HZ PHE A 1 10.345 -1.247 -9.297 1.00 0.00 H new ATOM 23 N LEU A 2 7.069 0.239 -3.806 1.00 0.00 N ATOM 24 CA LEU A 2 8.014 -0.036 -2.731 1.00 0.00 C ATOM 25 C LEU A 2 7.402 0.355 -1.387 1.00 0.00 C ATOM 26 O LEU A 2 7.617 1.469 -0.903 1.00 0.00 O ATOM 27 CB LEU A 2 9.310 0.755 -2.956 1.00 0.00 C ATOM 28 CG LEU A 2 10.339 -0.105 -3.705 1.00 0.00 C ATOM 29 CD1 LEU A 2 10.690 -1.356 -2.891 1.00 0.00 C ATOM 30 CD2 LEU A 2 9.768 -0.533 -5.059 1.00 0.00 C ATOM 0 H LEU A 2 6.851 1.226 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 2 8.241 -1.102 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.097 1.659 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.721 1.073 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 2 11.241 0.489 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.420 -1.953 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.110 -1.059 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.789 -1.947 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.501 -1.143 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.858 -1.113 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.537 0.352 -5.653 1.00 0.00 H new ATOM 42 N PRO A 3 6.648 -0.527 -0.777 1.00 0.00 N ATOM 43 CA PRO A 3 6.008 -0.247 0.539 1.00 0.00 C ATOM 44 C PRO A 3 7.023 0.251 1.569 1.00 0.00 C ATOM 45 O PRO A 3 8.224 -0.015 1.463 1.00 0.00 O ATOM 46 CB PRO A 3 5.396 -1.581 0.980 1.00 0.00 C ATOM 47 CG PRO A 3 5.742 -2.599 -0.063 1.00 0.00 C ATOM 48 CD PRO A 3 6.320 -1.869 -1.278 1.00 0.00 C ATOM 0 HA PRO A 3 5.261 0.542 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.787 -1.880 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.315 -1.491 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.466 -3.313 0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.856 -3.166 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.205 -2.377 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.599 -1.823 -2.094 1.00 0.00 H new ATOM 56 N ILE A 4 6.531 0.978 2.562 1.00 0.00 N ATOM 57 CA ILE A 4 7.397 1.526 3.604 1.00 0.00 C ATOM 58 C ILE A 4 8.273 0.442 4.217 1.00 0.00 C ATOM 59 O ILE A 4 9.374 0.722 4.688 1.00 0.00 O ATOM 60 CB ILE A 4 6.555 2.194 4.701 1.00 0.00 C ATOM 61 CG1 ILE A 4 5.421 3.014 4.071 1.00 0.00 C ATOM 62 CG2 ILE A 4 7.446 3.125 5.527 1.00 0.00 C ATOM 63 CD1 ILE A 4 5.990 3.953 3.002 1.00 0.00 C ATOM 0 H ILE A 4 5.542 1.203 2.671 1.00 0.00 H new ATOM 0 HA ILE A 4 8.044 2.272 3.142 1.00 0.00 H new ATOM 0 HB ILE A 4 6.128 1.421 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.682 2.348 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.908 3.592 4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.851 3.601 6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.249 2.548 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.873 3.890 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.180 4.532 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.712 4.630 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.483 3.366 2.227 1.00 0.00 H new ATOM 75 N ILE A 5 7.792 -0.788 4.209 1.00 0.00 N ATOM 76 CA ILE A 5 8.562 -1.890 4.774 1.00 0.00 C ATOM 77 C ILE A 5 9.832 -2.138 3.960 1.00 0.00 C ATOM 78 O ILE A 5 10.895 -2.410 4.519 1.00 0.00 O ATOM 79 CB ILE A 5 7.711 -3.166 4.807 1.00 0.00 C ATOM 80 CG1 ILE A 5 6.360 -2.863 5.470 1.00 0.00 C ATOM 81 CG2 ILE A 5 8.436 -4.238 5.620 1.00 0.00 C ATOM 82 CD1 ILE A 5 5.221 -3.176 4.496 1.00 0.00 C ATOM 0 H ILE A 5 6.885 -1.051 3.824 1.00 0.00 H new ATOM 0 HA ILE A 5 8.847 -1.620 5.791 1.00 0.00 H new ATOM 0 HB ILE A 5 7.550 -3.520 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.248 -3.457 6.377 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.318 -1.815 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.833 -5.146 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.400 -4.455 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.593 -3.879 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.265 -2.959 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.328 -2.562 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.258 -4.230 4.220 1.00 0.00 H new ATOM 94 N ILE A 6 9.710 -2.052 2.641 1.00 0.00 N ATOM 95 CA ILE A 6 10.845 -2.281 1.758 1.00 0.00 C ATOM 96 C ILE A 6 11.791 -1.090 1.759 1.00 0.00 C ATOM 97 O ILE A 6 12.956 -1.215 1.386 1.00 0.00 O ATOM 98 CB ILE A 6 10.367 -2.564 0.328 1.00 0.00 C ATOM 99 CG1 ILE A 6 8.932 -3.103 0.344 1.00 0.00 C ATOM 100 CG2 ILE A 6 11.283 -3.605 -0.321 1.00 0.00 C ATOM 101 CD1 ILE A 6 8.828 -4.301 1.293 1.00 0.00 C ATOM 0 H ILE A 6 8.839 -1.826 2.161 1.00 0.00 H new ATOM 0 HA ILE A 6 11.385 -3.151 2.132 1.00 0.00 H new ATOM 0 HB ILE A 6 10.396 -1.635 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.245 -2.318 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.636 -3.400 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.943 -3.806 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.304 -3.224 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.255 -4.527 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.804 -4.675 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.502 -5.090 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.104 -3.992 2.301 1.00 0.00 H new ATOM 113 N ASN A 7 11.296 0.062 2.186 1.00 0.00 N ATOM 114 CA ASN A 7 12.129 1.263 2.228 1.00 0.00 C ATOM 115 C ASN A 7 13.345 0.988 3.086 1.00 0.00 C ATOM 116 O ASN A 7 14.477 1.295 2.713 1.00 0.00 O ATOM 117 CB ASN A 7 11.352 2.437 2.827 1.00 0.00 C ATOM 118 CG ASN A 7 10.932 3.417 1.739 1.00 0.00 C ATOM 119 OD1 ASN A 7 11.313 3.268 0.577 1.00 0.00 O ATOM 120 ND2 ASN A 7 10.169 4.423 2.048 1.00 0.00 N ATOM 0 H ASN A 7 10.336 0.195 2.505 1.00 0.00 H new ATOM 0 HA ASN A 7 12.428 1.521 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.470 2.067 3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.969 2.949 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.886 5.088 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.853 4.547 3.010 1.00 0.00 H new ATOM 127 N LEU A 8 13.091 0.382 4.229 1.00 0.00 N ATOM 128 CA LEU A 8 14.151 0.017 5.151 1.00 0.00 C ATOM 129 C LEU A 8 15.187 -0.809 4.410 1.00 0.00 C ATOM 130 O LEU A 8 16.395 -0.570 4.502 1.00 0.00 O ATOM 131 CB LEU A 8 13.562 -0.830 6.278 1.00 0.00 C ATOM 132 CG LEU A 8 12.760 0.026 7.267 1.00 0.00 C ATOM 133 CD1 LEU A 8 11.998 1.131 6.533 1.00 0.00 C ATOM 134 CD2 LEU A 8 11.759 -0.880 7.982 1.00 0.00 C ATOM 0 H LEU A 8 12.154 0.130 4.544 1.00 0.00 H new ATOM 0 HA LEU A 8 14.611 0.916 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.917 -1.600 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.366 -1.342 6.807 1.00 0.00 H new ATOM 0 HG LEU A 8 13.443 0.490 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.436 1.726 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.705 1.772 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.309 0.684 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.177 -0.291 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.090 -1.332 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.295 -1.665 8.516 1.00 0.00 H new ATOM 146 N LYS A 9 14.683 -1.775 3.657 1.00 0.00 N ATOM 147 CA LYS A 9 15.536 -2.654 2.869 1.00 0.00 C ATOM 148 C LYS A 9 16.174 -1.854 1.747 1.00 0.00 C ATOM 149 O LYS A 9 17.372 -1.964 1.483 1.00 0.00 O ATOM 150 CB LYS A 9 14.706 -3.803 2.281 1.00 0.00 C ATOM 151 CG LYS A 9 13.589 -4.201 3.260 1.00 0.00 C ATOM 152 CD LYS A 9 14.192 -4.612 4.609 1.00 0.00 C ATOM 153 CE LYS A 9 13.117 -4.546 5.700 1.00 0.00 C ATOM 154 NZ LYS A 9 13.601 -5.277 6.903 1.00 0.00 N1+ ATOM 0 H LYS A 9 13.685 -1.971 3.574 1.00 0.00 H new ATOM 0 HA LYS A 9 16.313 -3.074 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.274 -3.499 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.348 -4.661 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.902 -3.366 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.009 -5.026 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.596 -5.622 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.022 -3.952 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.900 -3.508 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.188 -4.987 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.877 -5.237 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.787 -6.270 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.477 -4.836 7.248 1.00 0.00 H new ATOM 168 N ALA A 10 15.355 -1.039 1.102 1.00 0.00 N ATOM 169 CA ALA A 10 15.816 -0.193 0.016 1.00 0.00 C ATOM 170 C ALA A 10 16.983 0.653 0.499 1.00 0.00 C ATOM 171 O ALA A 10 18.012 0.765 -0.170 1.00 0.00 O ATOM 172 CB ALA A 10 14.677 0.712 -0.452 1.00 0.00 C ATOM 0 H ALA A 10 14.362 -0.946 1.314 1.00 0.00 H new ATOM 0 HA ALA A 10 16.140 -0.815 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.027 1.345 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.845 0.100 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.345 1.337 0.377 1.00 0.00 H new ATOM 178 N LEU A 11 16.817 1.239 1.679 1.00 0.00 N ATOM 179 CA LEU A 11 17.868 2.059 2.263 1.00 0.00 C ATOM 180 C LEU A 11 19.099 1.201 2.518 1.00 0.00 C ATOM 181 O LEU A 11 20.227 1.624 2.269 1.00 0.00 O ATOM 182 CB LEU A 11 17.391 2.684 3.579 1.00 0.00 C ATOM 183 CG LEU A 11 17.578 4.205 3.528 1.00 0.00 C ATOM 184 CD1 LEU A 11 16.412 4.841 2.768 1.00 0.00 C ATOM 185 CD2 LEU A 11 17.614 4.772 4.951 1.00 0.00 C ATOM 0 H LEU A 11 15.972 1.162 2.245 1.00 0.00 H new ATOM 0 HA LEU A 11 18.118 2.860 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.342 2.443 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.952 2.267 4.415 1.00 0.00 H new ATOM 0 HG LEU A 11 18.516 4.430 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.547 5.922 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.381 4.446 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.476 4.608 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.747 5.853 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.677 4.541 5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.443 4.326 5.500 1.00 0.00 H new ATOM 197 N ALA A 12 18.871 -0.021 3.002 1.00 0.00 N ATOM 198 CA ALA A 12 19.978 -0.931 3.265 1.00 0.00 C ATOM 199 C ALA A 12 20.747 -1.163 1.975 1.00 0.00 C ATOM 200 O ALA A 12 21.978 -1.126 1.956 1.00 0.00 O ATOM 201 CB ALA A 12 19.465 -2.270 3.812 1.00 0.00 C ATOM 0 H ALA A 12 17.946 -0.395 3.215 1.00 0.00 H new ATOM 0 HA ALA A 12 20.632 -0.485 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 12 20.309 -2.933 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.922 -2.099 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 12 18.799 -2.730 3.082 1.00 0.00 H new ATOM 207 N ALA A 13 20.012 -1.365 0.883 1.00 0.00 N ATOM 208 CA ALA A 13 20.642 -1.567 -0.414 1.00 0.00 C ATOM 209 C ALA A 13 21.461 -0.334 -0.742 1.00 0.00 C ATOM 210 O ALA A 13 22.623 -0.425 -1.130 1.00 0.00 O ATOM 211 CB ALA A 13 19.581 -1.789 -1.500 1.00 0.00 C ATOM 0 H ALA A 13 18.992 -1.393 0.872 1.00 0.00 H new ATOM 0 HA ALA A 13 21.280 -2.450 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 13 20.071 -1.938 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 13 18.988 -2.670 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 13 18.930 -0.917 -1.556 1.00 0.00 H new ATOM 217 N LEU A 14 20.849 0.820 -0.539 1.00 0.00 N ATOM 218 CA LEU A 14 21.523 2.074 -0.777 1.00 0.00 C ATOM 219 C LEU A 14 22.793 2.117 0.058 1.00 0.00 C ATOM 220 O LEU A 14 23.888 2.347 -0.459 1.00 0.00 O ATOM 221 CB LEU A 14 20.580 3.216 -0.395 1.00 0.00 C ATOM 222 CG LEU A 14 21.354 4.513 -0.175 1.00 0.00 C ATOM 223 CD1 LEU A 14 20.479 5.668 -0.631 1.00 0.00 C ATOM 224 CD2 LEU A 14 21.682 4.687 1.313 1.00 0.00 C ATOM 0 H LEU A 14 19.888 0.909 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 14 21.794 2.176 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.839 3.359 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.035 2.955 0.512 1.00 0.00 H new ATOM 0 HG LEU A 14 22.286 4.487 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.011 6.608 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.240 5.548 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.557 5.678 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.234 5.616 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.757 4.722 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.289 3.847 1.652 1.00 0.00 H new ATOM 236 N ALA A 15 22.642 1.876 1.352 1.00 0.00 N ATOM 237 CA ALA A 15 23.788 1.874 2.254 1.00 0.00 C ATOM 238 C ALA A 15 24.836 0.894 1.748 1.00 0.00 C ATOM 239 O ALA A 15 26.023 1.203 1.710 1.00 0.00 O ATOM 240 CB ALA A 15 23.349 1.469 3.661 1.00 0.00 C ATOM 0 H ALA A 15 21.746 1.681 1.800 1.00 0.00 H new ATOM 0 HA ALA A 15 24.213 2.877 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 15 24.212 1.471 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 15 22.606 2.177 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 15 22.915 0.470 3.633 1.00 0.00 H new ATOM 246 N LYS A 16 24.382 -0.288 1.352 1.00 0.00 N ATOM 247 CA LYS A 16 25.288 -1.307 0.838 1.00 0.00 C ATOM 248 C LYS A 16 25.859 -0.872 -0.513 1.00 0.00 C ATOM 249 O LYS A 16 26.887 -1.388 -0.953 1.00 0.00 O ATOM 250 CB LYS A 16 24.554 -2.649 0.690 1.00 0.00 C ATOM 251 CG LYS A 16 24.679 -3.501 1.974 1.00 0.00 C ATOM 252 CD LYS A 16 24.382 -2.656 3.226 1.00 0.00 C ATOM 253 CE LYS A 16 25.671 -2.069 3.850 1.00 0.00 C ATOM 254 NZ LYS A 16 26.900 -2.651 3.227 1.00 0.00 N1+ ATOM 0 H LYS A 16 23.400 -0.564 1.376 1.00 0.00 H new ATOM 0 HA LYS A 16 26.108 -1.432 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.501 -2.468 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 24.965 -3.200 -0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.987 -4.342 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.684 -3.918 2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.705 -1.844 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.869 -3.271 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.676 -0.986 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.678 -2.265 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.732 -2.098 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 27.014 -3.637 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.811 -2.623 2.191 1.00 0.00 H new ATOM 268 N LYS A 17 25.191 0.080 -1.164 1.00 0.00 N ATOM 269 CA LYS A 17 25.649 0.573 -2.457 1.00 0.00 C ATOM 270 C LYS A 17 26.805 1.539 -2.255 1.00 0.00 C ATOM 271 O LYS A 17 27.798 1.508 -2.982 1.00 0.00 O ATOM 272 CB LYS A 17 24.499 1.288 -3.182 1.00 0.00 C ATOM 273 CG LYS A 17 24.881 1.537 -4.646 1.00 0.00 C ATOM 274 CD LYS A 17 24.848 3.040 -4.948 1.00 0.00 C ATOM 275 CE LYS A 17 23.421 3.581 -4.819 1.00 0.00 C ATOM 276 NZ LYS A 17 22.487 2.718 -5.596 1.00 0.00 N1+ ATOM 0 H LYS A 17 24.338 0.520 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 17 25.983 -0.270 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.593 0.683 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 17 24.279 2.234 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 17 25.877 1.140 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.191 1.010 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.508 3.570 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.223 3.223 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.124 3.604 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.375 4.606 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.626 3.255 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.948 2.413 -6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.234 1.883 -5.030 1.00 0.00 H new ATOM 290 N ILE A 18 26.661 2.399 -1.260 1.00 0.00 N ATOM 291 CA ILE A 18 27.691 3.382 -0.950 1.00 0.00 C ATOM 292 C ILE A 18 28.628 2.864 0.137 1.00 0.00 C ATOM 293 O ILE A 18 29.672 3.465 0.408 1.00 0.00 O ATOM 294 CB ILE A 18 27.028 4.689 -0.513 1.00 0.00 C ATOM 295 CG1 ILE A 18 26.289 4.487 0.825 1.00 0.00 C ATOM 296 CG2 ILE A 18 26.030 5.114 -1.595 1.00 0.00 C ATOM 297 CD1 ILE A 18 24.894 5.123 0.765 1.00 0.00 C ATOM 0 H ILE A 18 25.842 2.438 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 18 28.289 3.563 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 18 27.787 5.460 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.202 3.423 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 18 26.864 4.932 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 18 25.547 6.046 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 18 26.557 5.262 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 18 25.275 4.338 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 18 24.384 4.972 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 18 24.989 6.191 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 18 24.316 4.658 -0.034 1.00 0.00 H new ATOM 309 N LEU A 19 28.243 1.752 0.758 1.00 0.00 N ATOM 310 CA LEU A 19 29.030 1.143 1.825 1.00 0.00 C ATOM 311 C LEU A 19 28.777 -0.361 1.854 1.00 0.00 C ATOM 312 O LEU A 19 28.519 -0.942 2.913 1.00 0.00 O ATOM 313 CB LEU A 19 28.643 1.785 3.167 1.00 0.00 C ATOM 314 CG LEU A 19 29.781 2.690 3.650 1.00 0.00 C ATOM 315 CD1 LEU A 19 29.238 3.720 4.647 1.00 0.00 C ATOM 316 CD2 LEU A 19 30.857 1.842 4.335 1.00 0.00 C ATOM 0 H LEU A 19 27.382 1.251 0.537 1.00 0.00 H new ATOM 0 HA LEU A 19 30.092 1.310 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 19 27.727 2.365 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 28.441 1.011 3.907 1.00 0.00 H new ATOM 0 HG LEU A 19 30.213 3.207 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 30.051 4.361 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 19 28.475 4.329 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.801 3.204 5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.666 2.488 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.422 1.322 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 19 31.251 1.112 3.627 1.00 0.00 H new HETATM 328 N NH2 A 20 28.827 -1.032 0.742 1.00 0.00 N TER 331 NH2 A 20