USER MOD reduce.3.24.130724 H: found=0, std=0, add=168, rem=0, adj=4 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 NoAdj-H: A 10 ASNHD21 : A 10 ASN ND2 : A 6 LYS CE :(H bumps) USER MOD Single : A 1 GLU N :NH3+ 167:sc= -0.0295 (180deg=-0.416) USER MOD Single : A 2 MET CE :methyl 138:sc= -0.0463 (180deg=-0.642) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00126) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.969 -1.033 4.937 1.00 0.00 N ATOM 2 CA GLU A 1 3.075 -0.585 6.042 1.00 0.00 C ATOM 3 C GLU A 1 3.834 -0.456 7.336 1.00 0.00 C ATOM 4 O GLU A 1 3.268 -0.600 8.419 1.00 0.00 O ATOM 5 CB GLU A 1 1.927 -1.601 6.235 1.00 0.00 C ATOM 6 CG GLU A 1 2.424 -3.015 6.587 1.00 0.00 C ATOM 7 CD GLU A 1 1.227 -3.952 6.695 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.075 -3.476 6.502 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.450 -5.160 6.971 1.00 0.00 O ATOM 0 H1 GLU A 1 3.393 -1.324 4.121 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.594 -0.251 4.658 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.544 -1.837 5.260 1.00 0.00 H new ATOM 0 HA GLU A 1 2.671 0.390 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.266 -1.247 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.334 -1.648 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.113 -3.372 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.974 -2.997 7.528 1.00 0.00 H new ATOM 18 N MET A 2 5.151 -0.166 7.244 1.00 0.00 N ATOM 19 CA MET A 2 5.956 -0.025 8.428 1.00 0.00 C ATOM 20 C MET A 2 6.681 1.281 8.313 1.00 0.00 C ATOM 21 O MET A 2 7.120 1.669 7.231 1.00 0.00 O ATOM 22 CB MET A 2 7.004 -1.146 8.588 1.00 0.00 C ATOM 23 CG MET A 2 6.367 -2.513 8.862 1.00 0.00 C ATOM 24 SD MET A 2 7.580 -3.868 8.895 1.00 0.00 S ATOM 25 CE MET A 2 8.352 -3.367 10.462 1.00 0.00 C ATOM 0 H MET A 2 5.652 -0.031 6.366 1.00 0.00 H new ATOM 0 HA MET A 2 5.298 -0.076 9.296 1.00 0.00 H new ATOM 0 HB2 MET A 2 7.608 -1.206 7.683 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.679 -0.893 9.406 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.843 -2.479 9.817 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.620 -2.720 8.096 1.00 0.00 H new ATOM 0 HE1 MET A 2 8.541 -4.250 11.073 1.00 0.00 H new ATOM 0 HE2 MET A 2 9.295 -2.859 10.257 1.00 0.00 H new ATOM 0 HE3 MET A 2 7.685 -2.691 10.997 1.00 0.00 H new ATOM 35 N ARG A 3 6.836 1.989 9.455 1.00 0.00 N ATOM 36 CA ARG A 3 7.522 3.268 9.444 1.00 0.00 C ATOM 37 C ARG A 3 8.995 3.018 9.318 1.00 0.00 C ATOM 38 O ARG A 3 9.749 3.913 8.960 1.00 0.00 O ATOM 39 CB ARG A 3 7.300 4.138 10.703 1.00 0.00 C ATOM 40 CG ARG A 3 8.029 5.488 10.613 1.00 0.00 C ATOM 41 CD ARG A 3 7.626 6.453 11.731 1.00 0.00 C ATOM 42 NE ARG A 3 6.205 6.861 11.517 1.00 0.00 N ATOM 43 CZ ARG A 3 5.582 7.687 12.409 1.00 0.00 C ATOM 44 NH1 ARG A 3 6.259 8.149 13.501 1.00 0.00 N ATOM 45 NH2 ARG A 3 4.284 8.051 12.206 1.00 0.00 N ATOM 0 H ARG A 3 6.498 1.691 10.370 1.00 0.00 H new ATOM 0 HA ARG A 3 7.104 3.821 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.233 4.312 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.649 3.597 11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.105 5.319 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.816 5.948 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.740 5.974 12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.276 7.328 11.728 1.00 0.00 H new ATOM 0 HE ARG A 3 5.697 6.521 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.231 7.877 13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.793 8.766 14.167 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.780 7.707 11.389 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.817 8.668 12.871 1.00 0.00 H new ATOM 59 N LEU A 4 9.448 1.778 9.617 1.00 0.00 N ATOM 60 CA LEU A 4 10.860 1.464 9.530 1.00 0.00 C ATOM 61 C LEU A 4 11.367 1.860 8.163 1.00 0.00 C ATOM 62 O LEU A 4 12.525 2.250 8.009 1.00 0.00 O ATOM 63 CB LEU A 4 11.169 -0.031 9.751 1.00 0.00 C ATOM 64 CG LEU A 4 12.393 -0.254 10.657 1.00 0.00 C ATOM 65 CD1 LEU A 4 12.767 -1.742 10.731 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.591 0.601 10.211 1.00 0.00 C ATOM 0 H LEU A 4 8.854 1.003 9.914 1.00 0.00 H new ATOM 0 HA LEU A 4 11.357 2.020 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.300 -0.516 10.195 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.343 -0.509 8.787 1.00 0.00 H new ATOM 0 HG LEU A 4 12.118 0.070 11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.635 -1.867 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.928 -2.308 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.004 -2.108 9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.436 0.417 10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.866 0.337 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.320 1.656 10.252 1.00 0.00 H new ATOM 78 N SER A 5 10.499 1.776 7.128 1.00 0.00 N ATOM 79 CA SER A 5 10.902 2.181 5.805 1.00 0.00 C ATOM 80 C SER A 5 10.775 3.677 5.773 1.00 0.00 C ATOM 81 O SER A 5 9.899 4.228 5.111 1.00 0.00 O ATOM 82 CB SER A 5 10.019 1.597 4.684 1.00 0.00 C ATOM 83 OG SER A 5 10.208 0.190 4.597 1.00 0.00 O ATOM 0 H SER A 5 9.540 1.436 7.202 1.00 0.00 H new ATOM 0 HA SER A 5 11.913 1.818 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.971 1.819 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.269 2.065 3.732 1.00 0.00 H new ATOM 0 HG SER A 5 9.642 -0.173 3.884 1.00 0.00 H new ATOM 89 N LYS A 6 11.667 4.360 6.522 1.00 0.00 N ATOM 90 CA LYS A 6 11.638 5.797 6.599 1.00 0.00 C ATOM 91 C LYS A 6 13.035 6.280 6.506 1.00 0.00 C ATOM 92 O LYS A 6 13.394 7.065 5.634 1.00 0.00 O ATOM 93 CB LYS A 6 11.081 6.299 7.950 1.00 0.00 C ATOM 94 CG LYS A 6 11.519 7.730 8.335 1.00 0.00 C ATOM 95 CD LYS A 6 11.345 8.754 7.207 1.00 0.00 C ATOM 96 CE LYS A 6 12.214 10.009 7.402 1.00 0.00 C ATOM 0 H LYS A 6 12.405 3.922 7.072 1.00 0.00 H new ATOM 0 HA LYS A 6 10.999 6.165 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.992 6.264 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.397 5.613 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.943 8.056 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.566 7.711 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.598 8.286 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.297 9.049 7.148 1.00 0.00 H new ATOM 107 N PHE A 7 13.860 5.767 7.414 1.00 0.00 N ATOM 108 CA PHE A 7 15.226 6.162 7.510 1.00 0.00 C ATOM 109 C PHE A 7 15.901 6.036 6.173 1.00 0.00 C ATOM 110 O PHE A 7 16.671 6.912 5.784 1.00 0.00 O ATOM 111 CB PHE A 7 15.930 5.250 8.487 1.00 0.00 C ATOM 112 CG PHE A 7 15.287 5.232 9.804 1.00 0.00 C ATOM 113 CD1 PHE A 7 14.456 4.191 10.127 1.00 0.00 C ATOM 114 CD2 PHE A 7 15.488 6.250 10.700 1.00 0.00 C ATOM 115 CE1 PHE A 7 13.833 4.162 11.332 1.00 0.00 C ATOM 116 CE2 PHE A 7 14.858 6.220 11.908 1.00 0.00 C ATOM 117 CZ PHE A 7 14.033 5.174 12.216 1.00 0.00 C ATOM 0 H PHE A 7 13.580 5.064 8.098 1.00 0.00 H new ATOM 0 HA PHE A 7 15.273 7.199 7.843 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.951 4.238 8.083 1.00 0.00 H new ATOM 0 HB3 PHE A 7 16.966 5.571 8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.296 3.391 9.420 1.00 0.00 H new ATOM 0 HD2 PHE A 7 16.143 7.072 10.450 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.182 3.339 11.587 1.00 0.00 H new ATOM 0 HE2 PHE A 7 15.010 7.019 12.619 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.534 5.152 13.174 1.00 0.00 H new ATOM 127 N PHE A 8 15.629 4.941 5.428 1.00 0.00 N ATOM 128 CA PHE A 8 16.251 4.793 4.140 1.00 0.00 C ATOM 129 C PHE A 8 15.295 5.238 3.073 1.00 0.00 C ATOM 130 O PHE A 8 15.701 5.473 1.941 1.00 0.00 O ATOM 131 CB PHE A 8 16.727 3.368 3.825 1.00 0.00 C ATOM 132 CG PHE A 8 15.776 2.318 4.256 1.00 0.00 C ATOM 133 CD1 PHE A 8 14.775 1.893 3.418 1.00 0.00 C ATOM 134 CD2 PHE A 8 15.889 1.768 5.509 1.00 0.00 C ATOM 135 CE1 PHE A 8 13.900 0.926 3.830 1.00 0.00 C ATOM 136 CE2 PHE A 8 15.016 0.805 5.920 1.00 0.00 C ATOM 137 CZ PHE A 8 14.019 0.381 5.083 1.00 0.00 C ATOM 0 H PHE A 8 15.003 4.184 5.703 1.00 0.00 H new ATOM 0 HA PHE A 8 17.145 5.415 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 8 16.893 3.278 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 8 17.688 3.199 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.678 2.323 2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 8 16.674 2.100 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.115 0.591 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 8 15.111 0.376 6.907 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.327 -0.382 5.409 1.00 0.00 H new ATOM 147 N ARG A 9 13.994 5.366 3.407 1.00 0.00 N ATOM 148 CA ARG A 9 13.023 5.814 2.436 1.00 0.00 C ATOM 149 C ARG A 9 13.334 7.238 2.098 1.00 0.00 C ATOM 150 O ARG A 9 13.246 7.648 0.941 1.00 0.00 O ATOM 151 CB ARG A 9 11.582 5.741 2.949 1.00 0.00 C ATOM 152 CG ARG A 9 10.565 6.124 1.883 1.00 0.00 C ATOM 153 CD ARG A 9 10.197 7.600 1.949 1.00 0.00 C ATOM 154 NE ARG A 9 9.058 7.855 1.018 1.00 0.00 N ATOM 155 CZ ARG A 9 8.553 9.116 0.877 1.00 0.00 C ATOM 156 NH1 ARG A 9 9.090 10.152 1.587 1.00 0.00 N ATOM 157 NH2 ARG A 9 7.513 9.340 0.025 1.00 0.00 N ATOM 0 H ARG A 9 13.614 5.165 4.332 1.00 0.00 H new ATOM 0 HA ARG A 9 13.091 5.156 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.375 4.729 3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.471 6.403 3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.970 5.895 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.666 5.520 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.921 7.875 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.054 8.215 1.674 1.00 0.00 H new ATOM 0 HE ARG A 9 8.655 7.084 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.869 9.984 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.712 11.093 1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.113 8.566 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.135 10.281 -0.081 1.00 0.00 H new ATOM 171 N ASN A 10 13.719 8.026 3.126 1.00 0.00 N ATOM 172 CA ASN A 10 14.045 9.413 2.919 1.00 0.00 C ATOM 173 C ASN A 10 15.198 9.470 1.955 1.00 0.00 C ATOM 174 O ASN A 10 15.266 10.366 1.116 1.00 0.00 O ATOM 175 CB ASN A 10 14.425 10.139 4.226 1.00 0.00 C ATOM 176 CG ASN A 10 13.211 10.296 5.141 1.00 0.00 C ATOM 177 OD1 ASN A 10 12.148 10.729 4.698 1.00 0.00 O ATOM 178 ND2 ASN A 10 13.367 9.926 6.447 1.00 0.00 N ATOM 0 H ASN A 10 13.804 7.708 4.091 1.00 0.00 H new ATOM 0 HA ASN A 10 13.165 9.922 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.204 9.579 4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.838 11.120 3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.266 9.572 6.773 1.00 0.00 H new ATOM 184 N PHE A 11 16.154 8.514 2.071 1.00 0.00 N ATOM 185 CA PHE A 11 17.260 8.482 1.148 1.00 0.00 C ATOM 186 C PHE A 11 16.706 8.106 -0.203 1.00 0.00 C ATOM 187 O PHE A 11 16.917 8.818 -1.182 1.00 0.00 O ATOM 188 CB PHE A 11 18.352 7.459 1.531 1.00 0.00 C ATOM 189 CG PHE A 11 19.340 8.004 2.505 1.00 0.00 C ATOM 190 CD1 PHE A 11 19.353 7.580 3.816 1.00 0.00 C ATOM 191 CD2 PHE A 11 20.254 8.952 2.100 1.00 0.00 C ATOM 192 CE1 PHE A 11 20.266 8.094 4.706 1.00 0.00 C ATOM 193 CE2 PHE A 11 21.165 9.466 2.988 1.00 0.00 C ATOM 194 CZ PHE A 11 21.172 9.038 4.292 1.00 0.00 C ATOM 0 H PHE A 11 16.162 7.784 2.783 1.00 0.00 H new ATOM 0 HA PHE A 11 17.733 9.464 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 11 17.880 6.573 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 11 18.876 7.139 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.641 6.839 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 11 20.253 9.293 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.270 7.755 5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.878 10.208 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.889 9.443 4.991 1.00 0.00 H new ATOM 204 N ILE A 12 15.962 6.969 -0.262 1.00 0.00 N ATOM 205 CA ILE A 12 15.357 6.524 -1.487 1.00 0.00 C ATOM 206 C ILE A 12 14.770 5.164 -1.240 1.00 0.00 C ATOM 207 O ILE A 12 15.382 4.303 -0.609 1.00 0.00 O ATOM 208 CB ILE A 12 16.314 6.423 -2.647 1.00 0.00 C ATOM 209 CG1 ILE A 12 15.588 5.920 -3.898 1.00 0.00 C ATOM 210 CG2 ILE A 12 17.496 5.509 -2.259 1.00 0.00 C ATOM 211 CD1 ILE A 12 16.435 6.093 -5.146 1.00 0.00 C ATOM 0 H ILE A 12 15.783 6.364 0.539 1.00 0.00 H new ATOM 0 HA ILE A 12 14.610 7.268 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 12 16.711 7.410 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.335 4.867 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.650 6.462 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.189 5.435 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 12 18.013 5.929 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.122 4.516 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.886 5.725 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.666 7.149 -5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.362 5.530 -5.038 1.00 0.00 H new ATOM 223 N LEU A 13 13.539 4.950 -1.745 1.00 0.00 N ATOM 224 CA LEU A 13 12.882 3.685 -1.583 1.00 0.00 C ATOM 225 C LEU A 13 12.501 3.214 -2.953 1.00 0.00 C ATOM 226 O LEU A 13 11.762 3.884 -3.671 1.00 0.00 O ATOM 227 CB LEU A 13 11.604 3.779 -0.728 1.00 0.00 C ATOM 228 CG LEU A 13 10.855 2.441 -0.604 1.00 0.00 C ATOM 229 CD1 LEU A 13 11.739 1.368 0.050 1.00 0.00 C ATOM 230 CD2 LEU A 13 9.536 2.620 0.162 1.00 0.00 C ATOM 0 H LEU A 13 13.001 5.646 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 13 13.561 3.003 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.867 4.134 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.937 4.522 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 13 10.613 2.098 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.182 0.434 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.631 1.212 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.032 1.696 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.025 1.660 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.745 2.998 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.900 3.329 -0.369 1.00 0.00 H new ATOM 242 N GLN A 14 13.016 2.032 -3.346 1.00 0.00 N ATOM 243 CA GLN A 14 12.705 1.483 -4.638 1.00 0.00 C ATOM 244 C GLN A 14 12.440 0.038 -4.407 1.00 0.00 C ATOM 245 O GLN A 14 12.557 -0.791 -5.310 1.00 0.00 O ATOM 246 CB GLN A 14 13.850 1.615 -5.658 1.00 0.00 C ATOM 247 CG GLN A 14 14.070 3.067 -6.089 1.00 0.00 C ATOM 248 CD GLN A 14 15.332 3.143 -6.940 1.00 0.00 C ATOM 249 OE1 GLN A 14 16.270 2.375 -6.753 1.00 0.00 O ATOM 250 NE2 GLN A 14 15.359 4.093 -7.905 1.00 0.00 N ATOM 0 H GLN A 14 13.641 1.460 -2.778 1.00 0.00 H new ATOM 0 HA GLN A 14 11.860 2.027 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 14 14.769 1.223 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.627 1.007 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.211 3.426 -6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.166 3.710 -5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.560 4.714 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 14 16.178 4.187 -8.505 1.00 0.00 H new ATOM 259 N ARG A 15 12.056 -0.292 -3.159 1.00 0.00 N ATOM 260 CA ARG A 15 11.794 -1.659 -2.814 1.00 0.00 C ATOM 261 C ARG A 15 10.386 -1.982 -3.229 1.00 0.00 C ATOM 262 O ARG A 15 9.501 -2.156 -2.391 1.00 0.00 O ATOM 263 CB ARG A 15 11.936 -1.957 -1.307 1.00 0.00 C ATOM 264 CG ARG A 15 13.358 -1.722 -0.783 1.00 0.00 C ATOM 265 CD ARG A 15 14.361 -2.744 -1.329 1.00 0.00 C ATOM 266 NE ARG A 15 15.673 -2.520 -0.652 1.00 0.00 N ATOM 267 CZ ARG A 15 16.753 -3.295 -0.966 1.00 0.00 C ATOM 268 NH1 ARG A 15 16.640 -4.280 -1.904 1.00 0.00 N ATOM 269 NH2 ARG A 15 17.946 -3.083 -0.340 1.00 0.00 N ATOM 0 H ARG A 15 11.928 0.375 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 15 12.535 -2.270 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.241 -1.328 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.651 -2.992 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.682 -0.718 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.353 -1.769 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.007 -3.759 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.467 -2.633 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 15 15.763 -1.784 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.748 -4.439 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.448 -4.858 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 15 18.030 -2.347 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 15 18.754 -3.661 -0.573 1.00 0.00 H new ATOM 283 N LYS A 16 10.151 -2.059 -4.559 1.00 0.00 N ATOM 284 CA LYS A 16 8.840 -2.366 -5.073 1.00 0.00 C ATOM 285 C LYS A 16 8.474 -3.760 -4.642 1.00 0.00 C ATOM 286 O LYS A 16 7.347 -4.022 -4.226 1.00 0.00 O ATOM 287 CB LYS A 16 8.782 -2.298 -6.613 1.00 0.00 C ATOM 288 CG LYS A 16 7.393 -2.604 -7.179 1.00 0.00 C ATOM 289 CD LYS A 16 6.345 -1.560 -6.775 1.00 0.00 C ATOM 290 CE LYS A 16 5.024 -1.731 -7.527 1.00 0.00 C ATOM 291 NZ LYS A 16 4.371 -3.001 -7.142 1.00 0.00 N ATOM 0 H LYS A 16 10.862 -1.910 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 16 8.144 -1.625 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.089 -1.304 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.500 -3.005 -7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.451 -2.652 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.073 -3.587 -6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.161 -1.632 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.740 -0.562 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.362 -0.893 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.206 -1.720 -8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.467 -3.094 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.991 -3.799 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.195 -3.004 -6.117 1.00 0.00 H new ATOM 305 N LYS A 17 9.443 -4.691 -4.737 1.00 0.00 N ATOM 306 CA LYS A 17 9.189 -6.058 -4.353 1.00 0.00 C ATOM 307 C LYS A 17 9.679 -6.236 -2.910 1.00 0.00 C ATOM 308 O LYS A 17 10.857 -5.879 -2.634 1.00 0.00 O ATOM 309 CB LYS A 17 9.928 -7.080 -5.241 1.00 0.00 C ATOM 310 CG LYS A 17 9.410 -7.088 -6.682 1.00 0.00 C ATOM 311 CD LYS A 17 10.146 -8.101 -7.562 1.00 0.00 C ATOM 312 CE LYS A 17 9.629 -8.111 -9.001 1.00 0.00 C ATOM 313 NZ LYS A 17 10.377 -9.098 -9.809 1.00 0.00 N ATOM 314 OXT LYS A 17 8.881 -6.737 -2.071 1.00 0.00 O ATOM 0 H LYS A 17 10.389 -4.508 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 17 8.120 -6.243 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.994 -6.851 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.817 -8.076 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.345 -7.319 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.520 -6.092 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.211 -7.870 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.037 -9.097 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.566 -8.353 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.734 -7.118 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.015 -9.094 -10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.387 -8.849 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.256 -10.046 -9.399 1.00 0.00 H new TER 328 LYS A 17