USER MOD reduce.3.24.130724 H: found=0, std=0, add=166, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 168 hydrogens (8 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 NoAdj-H: A 6 ORN H2 : A 6 ORN N : A 5 SER C :(H bumps) USER MOD NoAdj-H: A 10 ASNHD21 : A 10 ASN ND2 : A 6 ORN CD :(H bumps) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.41 K(o=-0.41,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.369) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.008 14.253 -15.402 1.00 0.00 N ATOM 2 CA GLU A 1 4.498 15.617 -15.070 1.00 0.00 C ATOM 3 C GLU A 1 4.354 15.882 -13.599 1.00 0.00 C ATOM 4 O GLU A 1 3.251 16.106 -13.099 1.00 0.00 O ATOM 5 CB GLU A 1 3.683 16.672 -15.847 1.00 0.00 C ATOM 6 CG GLU A 1 4.198 18.106 -15.627 1.00 0.00 C ATOM 7 CD GLU A 1 3.373 19.071 -16.473 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.442 18.600 -17.181 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.665 20.293 -16.421 1.00 0.00 O ATOM 0 H1 GLU A 1 4.114 14.085 -16.423 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.562 13.547 -14.875 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.005 14.171 -15.140 1.00 0.00 H new ATOM 0 HA GLU A 1 5.550 15.680 -15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.716 16.438 -16.911 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.638 16.615 -15.541 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.125 18.374 -14.573 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.251 18.173 -15.900 1.00 0.00 H new ATOM 18 N MET A 2 5.488 15.865 -12.866 1.00 0.00 N ATOM 19 CA MET A 2 5.447 16.107 -11.448 1.00 0.00 C ATOM 20 C MET A 2 6.503 17.091 -11.115 1.00 0.00 C ATOM 21 O MET A 2 7.472 17.272 -11.849 1.00 0.00 O ATOM 22 CB MET A 2 5.708 14.867 -10.585 1.00 0.00 C ATOM 23 CG MET A 2 4.553 13.862 -10.618 1.00 0.00 C ATOM 24 SD MET A 2 4.870 12.387 -9.601 1.00 0.00 S ATOM 25 CE MET A 2 3.197 11.705 -9.781 1.00 0.00 C ATOM 0 H MET A 2 6.418 15.687 -13.245 1.00 0.00 H new ATOM 0 HA MET A 2 4.437 16.453 -11.229 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.619 14.377 -10.929 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.883 15.178 -9.555 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.643 14.350 -10.268 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.374 13.555 -11.649 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.126 10.766 -9.231 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.470 12.414 -9.384 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.989 11.525 -10.836 1.00 0.00 H new ATOM 35 N ARG A 3 6.313 17.753 -9.963 1.00 0.00 N ATOM 36 CA ARG A 3 7.250 18.732 -9.516 1.00 0.00 C ATOM 37 C ARG A 3 7.967 18.185 -8.351 1.00 0.00 C ATOM 38 O ARG A 3 9.195 18.154 -8.299 1.00 0.00 O ATOM 39 CB ARG A 3 6.561 20.030 -9.111 1.00 0.00 C ATOM 40 CG ARG A 3 7.535 21.076 -8.574 1.00 0.00 C ATOM 41 CD ARG A 3 6.916 22.472 -8.499 1.00 0.00 C ATOM 42 NE ARG A 3 5.789 22.447 -7.519 1.00 0.00 N ATOM 43 CZ ARG A 3 4.990 23.545 -7.357 1.00 0.00 C ATOM 44 NH1 ARG A 3 5.223 24.677 -8.084 1.00 0.00 N ATOM 45 NH2 ARG A 3 3.960 23.508 -6.464 1.00 0.00 N ATOM 0 H ARG A 3 5.515 17.612 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 3 7.934 18.958 -10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.034 20.440 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.810 19.815 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.871 20.778 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.417 21.108 -9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.666 23.201 -8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.555 22.778 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 3 5.614 21.607 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.995 24.705 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.625 25.494 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.787 22.663 -5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.362 24.325 -6.341 1.00 0.00 H new ATOM 59 N LEU A 4 7.181 17.747 -7.384 1.00 0.00 N ATOM 60 CA LEU A 4 7.694 17.157 -6.197 1.00 0.00 C ATOM 61 C LEU A 4 8.478 15.954 -6.631 1.00 0.00 C ATOM 62 O LEU A 4 9.556 15.678 -6.124 1.00 0.00 O ATOM 63 CB LEU A 4 6.553 16.702 -5.269 1.00 0.00 C ATOM 64 CG LEU A 4 5.196 17.362 -5.594 1.00 0.00 C ATOM 65 CD1 LEU A 4 4.441 16.582 -6.692 1.00 0.00 C ATOM 66 CD2 LEU A 4 4.334 17.500 -4.329 1.00 0.00 C ATOM 0 H LEU A 4 6.163 17.799 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 4 8.304 17.875 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.448 15.619 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.821 16.930 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 4 5.399 18.362 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.490 17.072 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.042 16.560 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.258 15.562 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.384 17.968 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.150 16.513 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.857 18.117 -3.598 1.00 0.00 H new ATOM 78 N SER A 5 7.932 15.255 -7.641 1.00 0.00 N ATOM 79 CA SER A 5 8.556 14.069 -8.195 1.00 0.00 C ATOM 80 C SER A 5 8.729 13.024 -7.119 1.00 0.00 C ATOM 81 O SER A 5 7.775 12.336 -6.767 1.00 0.00 O ATOM 82 CB SER A 5 9.923 14.335 -8.861 1.00 0.00 C ATOM 83 OG SER A 5 9.744 15.089 -10.053 1.00 0.00 O ATOM 0 H SER A 5 7.049 15.505 -8.086 1.00 0.00 H new ATOM 0 HA SER A 5 7.884 13.717 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.573 14.876 -8.173 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.416 13.390 -9.089 1.00 0.00 H new ATOM 0 HG SER A 5 10.616 15.255 -10.469 1.00 0.00 H new HETATM 89 N ORN A 6 9.973 12.858 -6.585 1.00 0.00 N HETATM 90 CA ORN A 6 10.200 11.880 -5.538 1.00 0.00 C HETATM 91 CB ORN A 6 11.345 10.886 -5.829 1.00 0.00 C HETATM 92 CG ORN A 6 11.059 9.491 -5.246 1.00 0.00 C HETATM 93 CD ORN A 6 12.194 8.974 -4.349 1.00 0.00 C HETATM 94 C ORN A 6 10.523 12.636 -4.280 1.00 0.00 C HETATM 95 O ORN A 6 11.117 12.091 -3.356 1.00 0.00 O HETATM 0 HG3 ORN A 6 10.135 9.526 -4.670 1.00 0.00 H new HETATM 0 HG2 ORN A 6 10.899 8.787 -6.063 1.00 0.00 H new HETATM 0 HB3 ORN A 6 11.491 10.806 -6.906 1.00 0.00 H new HETATM 0 HB2 ORN A 6 12.275 11.271 -5.409 1.00 0.00 H new HETATM 0 HA ORN A 6 9.296 11.277 -5.455 1.00 0.00 H new HETATM 0 H ORN A 6 10.550 12.848 -7.426 1.00 0.00 H new ATOM 104 N PHE A 7 10.089 13.929 -4.265 1.00 0.00 N ATOM 105 CA PHE A 7 10.214 14.865 -3.205 1.00 0.00 C ATOM 106 C PHE A 7 10.684 14.226 -1.940 1.00 0.00 C ATOM 107 O PHE A 7 11.880 14.010 -1.745 1.00 0.00 O ATOM 108 CB PHE A 7 8.859 15.600 -2.953 1.00 0.00 C ATOM 109 CG PHE A 7 7.554 14.872 -3.164 1.00 0.00 C ATOM 110 CD1 PHE A 7 6.498 15.274 -2.403 1.00 0.00 C ATOM 111 CD2 PHE A 7 7.334 13.870 -4.098 1.00 0.00 C ATOM 112 CE1 PHE A 7 5.285 14.712 -2.541 1.00 0.00 C ATOM 113 CE2 PHE A 7 6.105 13.310 -4.229 1.00 0.00 C ATOM 114 CZ PHE A 7 5.082 13.733 -3.444 1.00 0.00 C ATOM 0 H PHE A 7 9.614 14.334 -5.072 1.00 0.00 H new ATOM 0 HA PHE A 7 10.967 15.590 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.869 15.954 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.845 16.482 -3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.638 16.059 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.146 13.533 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.466 15.048 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.941 12.529 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.105 13.285 -3.543 1.00 0.00 H new ATOM 124 N PHE A 8 9.751 13.982 -1.016 1.00 0.00 N ATOM 125 CA PHE A 8 10.121 13.359 0.236 1.00 0.00 C ATOM 126 C PHE A 8 9.279 12.133 0.347 1.00 0.00 C ATOM 127 O PHE A 8 9.424 11.343 1.280 1.00 0.00 O ATOM 128 CB PHE A 8 9.863 14.296 1.439 1.00 0.00 C ATOM 129 CG PHE A 8 9.463 15.553 0.893 1.00 0.00 C ATOM 130 CD1 PHE A 8 8.149 15.836 0.774 1.00 0.00 C ATOM 131 CD2 PHE A 8 10.408 16.341 0.313 1.00 0.00 C ATOM 132 CE1 PHE A 8 7.768 16.895 0.057 1.00 0.00 C ATOM 133 CE2 PHE A 8 10.031 17.426 -0.369 1.00 0.00 C ATOM 134 CZ PHE A 8 8.704 17.692 -0.511 1.00 0.00 C ATOM 0 H PHE A 8 8.760 14.203 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 8 11.186 13.128 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 8 9.087 13.890 2.088 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.762 14.405 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.412 15.211 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.455 16.091 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.718 17.115 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.770 18.084 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.393 18.552 -1.085 1.00 0.00 H new ATOM 144 N ARG A 9 8.400 11.953 -0.683 1.00 0.00 N ATOM 145 CA ARG A 9 7.465 10.846 -0.772 1.00 0.00 C ATOM 146 C ARG A 9 8.179 9.523 -0.649 1.00 0.00 C ATOM 147 O ARG A 9 7.539 8.483 -0.500 1.00 0.00 O ATOM 148 CB ARG A 9 6.678 10.877 -2.096 1.00 0.00 C ATOM 149 CG ARG A 9 5.613 9.786 -2.207 1.00 0.00 C ATOM 150 CD ARG A 9 4.694 9.989 -3.417 1.00 0.00 C ATOM 151 NE ARG A 9 3.716 8.859 -3.465 1.00 0.00 N ATOM 152 CZ ARG A 9 4.036 7.689 -4.099 1.00 0.00 C ATOM 153 NH1 ARG A 9 5.240 7.557 -4.728 1.00 0.00 N ATOM 154 NH2 ARG A 9 3.146 6.653 -4.105 1.00 0.00 N ATOM 0 H ARG A 9 8.339 12.595 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 9 6.764 10.955 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.199 11.851 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.377 10.775 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.099 8.813 -2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.014 9.773 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.169 10.941 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.279 10.023 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 9 2.803 8.961 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.904 8.331 -4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.476 6.684 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.245 6.752 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.383 5.780 -4.577 1.00 0.00 H new ATOM 168 N ASN A 10 9.530 9.522 -0.699 1.00 0.00 N ATOM 169 CA ASN A 10 10.267 8.294 -0.529 1.00 0.00 C ATOM 170 C ASN A 10 9.876 7.760 0.829 1.00 0.00 C ATOM 171 O ASN A 10 9.771 6.550 1.028 1.00 0.00 O ATOM 172 CB ASN A 10 11.802 8.482 -0.519 1.00 0.00 C ATOM 173 CG ASN A 10 12.407 8.834 -1.879 1.00 0.00 C ATOM 174 OD1 ASN A 10 13.563 9.249 -1.946 1.00 0.00 O ATOM 175 ND2 ASN A 10 11.632 8.666 -2.991 1.00 0.00 N ATOM 0 H ASN A 10 10.104 10.351 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 10 10.030 7.636 -1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.054 9.269 0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.265 7.565 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.677 8.320 -2.899 1.00 0.00 H new ATOM 181 N PHE A 11 9.667 8.685 1.803 1.00 0.00 N ATOM 182 CA PHE A 11 9.274 8.289 3.130 1.00 0.00 C ATOM 183 C PHE A 11 7.838 8.722 3.340 1.00 0.00 C ATOM 184 O PHE A 11 6.954 7.881 3.489 1.00 0.00 O ATOM 185 CB PHE A 11 10.151 8.916 4.234 1.00 0.00 C ATOM 186 CG PHE A 11 10.015 8.244 5.563 1.00 0.00 C ATOM 187 CD1 PHE A 11 10.584 7.006 5.781 1.00 0.00 C ATOM 188 CD2 PHE A 11 9.315 8.847 6.587 1.00 0.00 C ATOM 189 CE1 PHE A 11 10.455 6.385 7.000 1.00 0.00 C ATOM 190 CE2 PHE A 11 9.187 8.223 7.805 1.00 0.00 C ATOM 191 CZ PHE A 11 9.757 6.993 8.012 1.00 0.00 C ATOM 0 H PHE A 11 9.769 9.691 1.671 1.00 0.00 H new ATOM 0 HA PHE A 11 9.393 7.208 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.195 8.878 3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.889 9.969 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.135 6.522 4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.864 9.816 6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.904 5.416 7.161 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.636 8.702 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.656 6.504 8.970 1.00 0.00 H new ATOM 201 N ILE A 12 7.567 10.061 3.333 1.00 0.00 N ATOM 202 CA ILE A 12 6.258 10.564 3.539 1.00 0.00 C ATOM 203 C ILE A 12 6.299 11.883 2.876 1.00 0.00 C ATOM 204 O ILE A 12 7.250 12.216 2.197 1.00 0.00 O ATOM 205 CB ILE A 12 5.856 10.771 4.979 1.00 0.00 C ATOM 206 CG1 ILE A 12 6.888 11.615 5.755 1.00 0.00 C ATOM 207 CG2 ILE A 12 5.636 9.395 5.629 1.00 0.00 C ATOM 208 CD1 ILE A 12 6.521 13.102 5.781 1.00 0.00 C ATOM 0 H ILE A 12 8.273 10.781 3.182 1.00 0.00 H new ATOM 0 HA ILE A 12 5.531 9.847 3.157 1.00 0.00 H new ATOM 0 HB ILE A 12 4.927 11.340 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.963 11.244 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.870 11.493 5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.345 9.527 6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.848 8.863 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.560 8.818 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.278 13.654 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.473 13.483 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.551 13.229 6.262 1.00 0.00 H new ATOM 220 N LEU A 13 5.288 12.690 3.082 1.00 0.00 N ATOM 221 CA LEU A 13 5.283 13.960 2.439 1.00 0.00 C ATOM 222 C LEU A 13 4.228 14.813 3.084 1.00 0.00 C ATOM 223 O LEU A 13 4.277 16.038 3.010 1.00 0.00 O ATOM 224 CB LEU A 13 5.084 13.792 0.901 1.00 0.00 C ATOM 225 CG LEU A 13 3.744 14.278 0.307 1.00 0.00 C ATOM 226 CD1 LEU A 13 2.515 13.696 1.020 1.00 0.00 C ATOM 227 CD2 LEU A 13 3.717 15.817 0.204 1.00 0.00 C ATOM 0 H LEU A 13 4.483 12.490 3.675 1.00 0.00 H new ATOM 0 HA LEU A 13 6.243 14.462 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.890 14.324 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.198 12.735 0.659 1.00 0.00 H new ATOM 0 HG LEU A 13 3.679 13.884 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.608 14.079 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.531 12.609 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.532 13.987 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.764 16.137 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.839 16.250 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.529 16.153 -0.441 1.00 0.00 H new ATOM 239 N GLN A 14 3.275 14.177 3.801 1.00 0.00 N ATOM 240 CA GLN A 14 2.219 14.924 4.429 1.00 0.00 C ATOM 241 C GLN A 14 2.749 15.602 5.648 1.00 0.00 C ATOM 242 O GLN A 14 3.725 15.173 6.259 1.00 0.00 O ATOM 243 CB GLN A 14 1.003 14.071 4.813 1.00 0.00 C ATOM 244 CG GLN A 14 0.238 13.639 3.568 1.00 0.00 C ATOM 245 CD GLN A 14 -0.988 12.832 3.976 1.00 0.00 C ATOM 246 OE1 GLN A 14 -0.878 11.772 4.578 1.00 0.00 O ATOM 247 NE2 GLN A 14 -2.196 13.342 3.629 1.00 0.00 N ATOM 0 H GLN A 14 3.234 13.168 3.944 1.00 0.00 H new ATOM 0 HA GLN A 14 1.872 15.649 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.329 13.192 5.369 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.346 14.640 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.065 14.514 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.881 13.041 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.250 14.229 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.050 12.839 3.870 1.00 0.00 H new ATOM 256 N ARG A 15 2.052 16.685 6.038 1.00 0.00 N ATOM 257 CA ARG A 15 2.457 17.482 7.165 1.00 0.00 C ATOM 258 C ARG A 15 1.989 16.822 8.430 1.00 0.00 C ATOM 259 O ARG A 15 2.236 17.317 9.528 1.00 0.00 O ATOM 260 CB ARG A 15 1.869 18.907 7.102 1.00 0.00 C ATOM 261 CG ARG A 15 2.656 19.833 6.162 1.00 0.00 C ATOM 262 CD ARG A 15 2.749 19.315 4.711 1.00 0.00 C ATOM 263 NE ARG A 15 1.372 19.026 4.189 1.00 0.00 N ATOM 264 CZ ARG A 15 0.586 20.036 3.702 1.00 0.00 C ATOM 265 NH1 ARG A 15 1.040 21.322 3.699 1.00 0.00 N ATOM 266 NH2 ARG A 15 -0.656 19.751 3.214 1.00 0.00 N ATOM 0 H ARG A 15 1.205 17.013 5.574 1.00 0.00 H new ATOM 0 HA ARG A 15 3.544 17.560 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.833 18.853 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.860 19.336 8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.185 20.816 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.664 19.964 6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.239 20.057 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.359 18.412 4.675 1.00 0.00 H new ATOM 0 HE ARG A 15 1.019 18.069 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.969 21.536 4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.450 22.070 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.995 18.789 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.245 20.500 2.850 1.00 0.00 H new ATOM 280 N LYS A 16 1.296 15.676 8.301 1.00 0.00 N ATOM 281 CA LYS A 16 0.823 14.968 9.467 1.00 0.00 C ATOM 282 C LYS A 16 1.934 14.067 9.898 1.00 0.00 C ATOM 283 O LYS A 16 1.893 13.468 10.970 1.00 0.00 O ATOM 284 CB LYS A 16 -0.379 14.050 9.185 1.00 0.00 C ATOM 285 CG LYS A 16 -1.563 14.772 8.551 1.00 0.00 C ATOM 286 CD LYS A 16 -2.787 13.861 8.432 1.00 0.00 C ATOM 287 CE LYS A 16 -2.543 12.681 7.488 1.00 0.00 C ATOM 288 NZ LYS A 16 -3.768 11.860 7.362 1.00 0.00 N ATOM 0 H LYS A 16 1.062 15.240 7.409 1.00 0.00 H new ATOM 0 HA LYS A 16 0.519 15.712 10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.062 13.242 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.702 13.591 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.818 15.647 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.281 15.133 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.054 13.484 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.636 14.442 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.241 13.048 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.724 12.068 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.587 11.063 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.039 11.495 8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.540 12.444 6.981 1.00 0.00 H new ATOM 302 N LYS A 17 2.964 13.965 9.043 1.00 0.00 N ATOM 303 CA LYS A 17 4.067 13.092 9.312 1.00 0.00 C ATOM 304 C LYS A 17 5.326 13.949 9.500 1.00 0.00 C ATOM 305 O LYS A 17 6.166 13.581 10.365 1.00 0.00 O ATOM 306 CB LYS A 17 4.292 12.121 8.140 1.00 0.00 C ATOM 307 CG LYS A 17 3.443 10.859 8.274 1.00 0.00 C ATOM 308 CD LYS A 17 2.733 10.486 6.969 1.00 0.00 C ATOM 309 CE LYS A 17 1.297 11.010 6.908 1.00 0.00 C ATOM 310 NZ LYS A 17 0.397 10.138 7.694 1.00 0.00 N ATOM 311 OXT LYS A 17 5.465 14.974 8.780 1.00 0.00 O ATOM 0 H LYS A 17 3.036 14.484 8.168 1.00 0.00 H new ATOM 0 HA LYS A 17 3.854 12.510 10.209 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.052 12.622 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.346 11.846 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.078 10.030 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.700 11.007 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.297 10.885 6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.725 9.401 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.258 12.028 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.961 11.050 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.537 10.102 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.796 9.179 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.298 10.519 8.657 1.00 0.00 H new TER 325 LYS A 17