USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 154 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 11 GLN : amide:sc= 1.49 X(o=2.1,f=1.8) USER MOD Set 1.2: A 14 GLN : amide:sc= 0.651 X(o=2.1,f=1.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 177:sc= 0 (180deg=-0.0179) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc=-0.00814 (180deg=-0.154) USER MOD Single : A 19 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD ----------------------------------------------------------------- ATOM 53 N ILE A 4 1.490 2.572 5.572 1.00 10.00 N ATOM 54 CA ILE A 4 1.642 1.119 5.676 1.00 10.00 C ATOM 55 C ILE A 4 2.693 0.701 6.704 1.00 10.00 C ATOM 56 O ILE A 4 2.414 -0.072 7.617 1.00 10.00 O ATOM 57 CB ILE A 4 1.911 0.461 4.301 1.00 10.00 C ATOM 58 CG1 ILE A 4 2.445 1.372 3.175 1.00 10.00 C ATOM 59 CG2 ILE A 4 0.619 -0.194 3.799 1.00 10.00 C ATOM 60 CD1 ILE A 4 3.755 2.115 3.451 1.00 10.00 C ATOM 0 HA ILE A 4 0.684 0.748 6.039 1.00 10.00 H new ATOM 0 HB ILE A 4 2.716 -0.245 4.503 1.00 10.00 H new ATOM 0 HG12 ILE A 4 2.582 0.763 2.281 1.00 10.00 H new ATOM 0 HG13 ILE A 4 1.678 2.111 2.943 1.00 10.00 H new ATOM 0 HG21 ILE A 4 0.800 -0.660 2.830 1.00 10.00 H new ATOM 0 HG22 ILE A 4 0.295 -0.952 4.512 1.00 10.00 H new ATOM 0 HG23 ILE A 4 -0.158 0.564 3.697 1.00 10.00 H new ATOM 0 HD11 ILE A 4 4.020 2.719 2.583 1.00 10.00 H new ATOM 0 HD12 ILE A 4 3.630 2.762 4.319 1.00 10.00 H new ATOM 0 HD13 ILE A 4 4.548 1.394 3.647 1.00 10.00 H new ATOM 72 N PHE A 5 3.890 1.255 6.548 1.00 10.00 N ATOM 73 CA PHE A 5 4.968 1.180 7.520 1.00 10.00 C ATOM 74 C PHE A 5 5.434 2.612 7.770 1.00 10.00 C ATOM 75 O PHE A 5 6.625 2.853 7.948 1.00 10.00 O ATOM 76 CB PHE A 5 6.101 0.301 6.967 1.00 10.00 C ATOM 77 CG PHE A 5 5.631 -1.000 6.340 1.00 10.00 C ATOM 78 CD1 PHE A 5 4.976 -1.962 7.129 1.00 10.00 C ATOM 79 CD2 PHE A 5 5.734 -1.192 4.948 1.00 10.00 C ATOM 80 CE1 PHE A 5 4.442 -3.119 6.535 1.00 10.00 C ATOM 81 CE2 PHE A 5 5.205 -2.351 4.355 1.00 10.00 C ATOM 82 CZ PHE A 5 4.559 -3.316 5.148 1.00 10.00 C ATOM 0 H PHE A 5 4.142 1.785 5.714 1.00 10.00 H new ATOM 0 HA PHE A 5 4.642 0.728 8.457 1.00 10.00 H new ATOM 0 HB2 PHE A 5 6.657 0.870 6.222 1.00 10.00 H new ATOM 0 HB3 PHE A 5 6.795 0.072 7.775 1.00 10.00 H new ATOM 0 HD1 PHE A 5 4.883 -1.812 8.194 1.00 10.00 H new ATOM 0 HD2 PHE A 5 6.220 -0.447 4.336 1.00 10.00 H new ATOM 0 HE1 PHE A 5 3.942 -3.857 7.145 1.00 10.00 H new ATOM 0 HE2 PHE A 5 5.295 -2.501 3.289 1.00 10.00 H new ATOM 0 HZ PHE A 5 4.153 -4.207 4.692 1.00 10.00 H new ATOM 92 N THR A 6 4.483 3.552 7.706 1.00 10.00 N ATOM 93 CA THR A 6 4.733 4.987 7.679 1.00 10.00 C ATOM 94 C THR A 6 5.540 5.338 6.421 1.00 10.00 C ATOM 95 O THR A 6 6.757 5.160 6.369 1.00 10.00 O ATOM 96 CB THR A 6 5.388 5.466 8.980 1.00 10.00 C ATOM 97 OG1 THR A 6 4.680 4.936 10.083 1.00 10.00 O ATOM 98 CG2 THR A 6 5.337 6.995 9.073 1.00 10.00 C ATOM 0 H THR A 6 3.490 3.321 7.671 1.00 10.00 H new ATOM 0 HA THR A 6 3.787 5.525 7.621 1.00 10.00 H new ATOM 0 HB THR A 6 6.425 5.131 8.988 1.00 10.00 H new ATOM 0 HG1 THR A 6 5.098 5.239 10.916 1.00 10.00 H new ATOM 0 HG21 THR A 6 5.806 7.319 10.002 1.00 10.00 H new ATOM 0 HG22 THR A 6 5.870 7.429 8.227 1.00 10.00 H new ATOM 0 HG23 THR A 6 4.299 7.326 9.056 1.00 10.00 H new ATOM 106 N TYR A 7 4.844 5.822 5.384 1.00 10.00 N ATOM 107 CA TYR A 7 5.391 6.002 4.044 1.00 10.00 C ATOM 108 C TYR A 7 6.777 6.642 4.027 1.00 10.00 C ATOM 109 O TYR A 7 7.644 6.193 3.290 1.00 10.00 O ATOM 110 CB TYR A 7 4.420 6.795 3.168 1.00 10.00 C ATOM 111 CG TYR A 7 4.908 6.969 1.744 1.00 10.00 C ATOM 112 CD1 TYR A 7 4.946 5.859 0.879 1.00 10.00 C ATOM 113 CD2 TYR A 7 5.495 8.185 1.345 1.00 10.00 C ATOM 114 CE1 TYR A 7 5.572 5.961 -0.374 1.00 10.00 C ATOM 115 CE2 TYR A 7 6.121 8.286 0.090 1.00 10.00 C ATOM 116 CZ TYR A 7 6.165 7.173 -0.766 1.00 10.00 C ATOM 117 OH TYR A 7 6.797 7.273 -1.969 1.00 10.00 O ATOM 0 H TYR A 7 3.866 6.103 5.460 1.00 10.00 H new ATOM 0 HA TYR A 7 5.517 5.001 3.632 1.00 10.00 H new ATOM 0 HB2 TYR A 7 3.455 6.288 3.155 1.00 10.00 H new ATOM 0 HB3 TYR A 7 4.258 7.777 3.613 1.00 10.00 H new ATOM 0 HD1 TYR A 7 4.492 4.926 1.180 1.00 10.00 H new ATOM 0 HD2 TYR A 7 5.464 9.041 2.003 1.00 10.00 H new ATOM 0 HE1 TYR A 7 5.598 5.108 -1.036 1.00 10.00 H new ATOM 0 HE2 TYR A 7 6.568 9.220 -0.216 1.00 10.00 H new ATOM 0 HH TYR A 7 7.149 8.181 -2.079 1.00 10.00 H new ATOM 127 N GLY A 8 6.989 7.682 4.832 1.00 10.00 N ATOM 128 CA GLY A 8 8.286 8.335 4.944 1.00 10.00 C ATOM 129 C GLY A 8 9.404 7.328 5.227 1.00 10.00 C ATOM 130 O GLY A 8 10.431 7.313 4.546 1.00 10.00 O ATOM 0 H GLY A 8 6.266 8.093 5.423 1.00 10.00 H new ATOM 0 HA2 GLY A 8 8.504 8.871 4.021 1.00 10.00 H new ATOM 0 HA3 GLY A 8 8.253 9.076 5.743 1.00 10.00 H new ATOM 134 N GLU A 9 9.213 6.483 6.243 1.00 10.00 N ATOM 135 CA GLU A 9 10.191 5.480 6.630 1.00 10.00 C ATOM 136 C GLU A 9 10.355 4.477 5.496 1.00 10.00 C ATOM 137 O GLU A 9 11.477 4.159 5.117 1.00 10.00 O ATOM 138 CB GLU A 9 9.782 4.762 7.926 1.00 10.00 C ATOM 139 CG GLU A 9 9.971 5.614 9.190 1.00 10.00 C ATOM 140 CD GLU A 9 8.779 6.507 9.521 1.00 10.00 C ATOM 141 OE1 GLU A 9 8.501 7.425 8.719 1.00 10.00 O ATOM 142 OE2 GLU A 9 8.164 6.260 10.580 1.00 10.00 O ATOM 0 H GLU A 9 8.371 6.480 6.818 1.00 10.00 H new ATOM 0 HA GLU A 9 11.141 5.978 6.822 1.00 10.00 H new ATOM 0 HB2 GLU A 9 8.736 4.465 7.852 1.00 10.00 H new ATOM 0 HB3 GLU A 9 10.367 3.847 8.024 1.00 10.00 H new ATOM 0 HG2 GLU A 9 10.163 4.953 10.036 1.00 10.00 H new ATOM 0 HG3 GLU A 9 10.856 6.238 9.066 1.00 10.00 H new ATOM 149 N LEU A 10 9.240 3.983 4.953 1.00 10.00 N ATOM 150 CA LEU A 10 9.268 3.035 3.842 1.00 10.00 C ATOM 151 C LEU A 10 10.114 3.590 2.688 1.00 10.00 C ATOM 152 O LEU A 10 11.055 2.949 2.225 1.00 10.00 O ATOM 153 CB LEU A 10 7.826 2.696 3.424 1.00 10.00 C ATOM 154 CG LEU A 10 7.656 1.627 2.327 1.00 10.00 C ATOM 155 CD1 LEU A 10 7.836 2.181 0.907 1.00 10.00 C ATOM 156 CD2 LEU A 10 8.554 0.403 2.540 1.00 10.00 C ATOM 0 H LEU A 10 8.301 4.227 5.269 1.00 10.00 H new ATOM 0 HA LEU A 10 9.744 2.105 4.151 1.00 10.00 H new ATOM 0 HB2 LEU A 10 7.284 2.364 4.310 1.00 10.00 H new ATOM 0 HB3 LEU A 10 7.346 3.613 3.082 1.00 10.00 H new ATOM 0 HG LEU A 10 6.620 1.301 2.422 1.00 10.00 H new ATOM 0 HD11 LEU A 10 7.703 1.377 0.183 1.00 10.00 H new ATOM 0 HD12 LEU A 10 7.096 2.960 0.724 1.00 10.00 H new ATOM 0 HD13 LEU A 10 8.837 2.600 0.804 1.00 10.00 H new ATOM 0 HD21 LEU A 10 8.389 -0.314 1.736 1.00 10.00 H new ATOM 0 HD22 LEU A 10 9.599 0.714 2.540 1.00 10.00 H new ATOM 0 HD23 LEU A 10 8.314 -0.063 3.496 1.00 10.00 H new ATOM 168 N GLN A 11 9.796 4.800 2.228 1.00 10.00 N ATOM 169 CA GLN A 11 10.491 5.448 1.129 1.00 10.00 C ATOM 170 C GLN A 11 11.981 5.575 1.470 1.00 10.00 C ATOM 171 O GLN A 11 12.841 5.173 0.689 1.00 10.00 O ATOM 172 CB GLN A 11 9.815 6.794 0.817 1.00 10.00 C ATOM 173 CG GLN A 11 9.917 7.170 -0.667 1.00 10.00 C ATOM 174 CD GLN A 11 11.355 7.348 -1.130 1.00 10.00 C ATOM 175 OE1 GLN A 11 11.892 6.501 -1.839 1.00 10.00 O ATOM 176 NE2 GLN A 11 11.980 8.447 -0.719 1.00 10.00 N ATOM 0 H GLN A 11 9.038 5.360 2.617 1.00 10.00 H new ATOM 0 HA GLN A 11 10.428 4.849 0.221 1.00 10.00 H new ATOM 0 HB2 GLN A 11 8.765 6.745 1.105 1.00 10.00 H new ATOM 0 HB3 GLN A 11 10.275 7.577 1.420 1.00 10.00 H new ATOM 0 HG2 GLN A 11 9.440 6.396 -1.267 1.00 10.00 H new ATOM 0 HG3 GLN A 11 9.366 8.094 -0.842 1.00 10.00 H new ATOM 0 HE21 GLN A 11 11.491 9.122 -0.131 1.00 10.00 H new ATOM 0 HE22 GLN A 11 12.948 8.615 -0.992 1.00 10.00 H new ATOM 185 N ARG A 12 12.300 6.085 2.660 1.00 10.00 N ATOM 186 CA ARG A 12 13.689 6.160 3.097 1.00 10.00 C ATOM 187 C ARG A 12 14.356 4.782 3.123 1.00 10.00 C ATOM 188 O ARG A 12 15.529 4.673 2.778 1.00 10.00 O ATOM 189 CB ARG A 12 13.783 6.880 4.442 1.00 10.00 C ATOM 190 CG ARG A 12 13.547 8.378 4.215 1.00 10.00 C ATOM 191 CD ARG A 12 13.483 9.137 5.541 1.00 10.00 C ATOM 192 NE ARG A 12 12.284 8.764 6.304 1.00 10.00 N ATOM 193 CZ ARG A 12 11.983 9.248 7.516 1.00 10.00 C ATOM 194 NH1 ARG A 12 12.806 10.118 8.113 1.00 10.00 N ATOM 195 NH2 ARG A 12 10.861 8.870 8.135 1.00 10.00 N ATOM 0 H ARG A 12 11.622 6.448 3.330 1.00 10.00 H new ATOM 0 HA ARG A 12 14.246 6.747 2.367 1.00 10.00 H new ATOM 0 HB2 ARG A 12 13.043 6.482 5.136 1.00 10.00 H new ATOM 0 HB3 ARG A 12 14.762 6.716 4.891 1.00 10.00 H new ATOM 0 HG2 ARG A 12 14.348 8.785 3.599 1.00 10.00 H new ATOM 0 HG3 ARG A 12 12.617 8.523 3.665 1.00 10.00 H new ATOM 0 HD2 ARG A 12 14.375 8.923 6.130 1.00 10.00 H new ATOM 0 HD3 ARG A 12 13.478 10.210 5.350 1.00 10.00 H new ATOM 0 HE ARG A 12 11.640 8.094 5.884 1.00 10.00 H new ATOM 0 HH11 ARG A 12 13.663 10.413 7.645 1.00 10.00 H new ATOM 0 HH12 ARG A 12 12.576 10.486 9.036 1.00 10.00 H new ATOM 0 HH21 ARG A 12 10.228 8.209 7.685 1.00 10.00 H new ATOM 0 HH22 ARG A 12 10.638 9.242 9.058 1.00 10.00 H new ATOM 209 N MET A 13 13.635 3.718 3.484 1.00 10.00 N ATOM 210 CA MET A 13 14.171 2.367 3.404 1.00 10.00 C ATOM 211 C MET A 13 14.501 2.015 1.950 1.00 10.00 C ATOM 212 O MET A 13 15.546 1.424 1.699 1.00 10.00 O ATOM 213 CB MET A 13 13.228 1.354 4.069 1.00 10.00 C ATOM 214 CG MET A 13 13.824 -0.061 4.122 1.00 10.00 C ATOM 215 SD MET A 13 15.450 -0.255 4.906 1.00 10.00 S ATOM 216 CE MET A 13 15.098 0.342 6.574 1.00 10.00 C ATOM 0 H MET A 13 12.678 3.771 3.834 1.00 10.00 H new ATOM 0 HA MET A 13 15.104 2.320 3.965 1.00 10.00 H new ATOM 0 HB2 MET A 13 13.000 1.686 5.082 1.00 10.00 H new ATOM 0 HB3 MET A 13 12.286 1.327 3.522 1.00 10.00 H new ATOM 0 HG2 MET A 13 13.118 -0.704 4.647 1.00 10.00 H new ATOM 0 HG3 MET A 13 13.896 -0.434 3.100 1.00 10.00 H new ATOM 0 HE1 MET A 13 15.988 0.235 7.194 1.00 10.00 H new ATOM 0 HE2 MET A 13 14.809 1.392 6.531 1.00 10.00 H new ATOM 0 HE3 MET A 13 14.284 -0.241 7.005 1.00 10.00 H new ATOM 226 N GLN A 14 13.662 2.400 0.979 1.00 10.00 N ATOM 227 CA GLN A 14 14.026 2.233 -0.429 1.00 10.00 C ATOM 228 C GLN A 14 15.369 2.910 -0.703 1.00 10.00 C ATOM 229 O GLN A 14 16.267 2.296 -1.279 1.00 10.00 O ATOM 230 CB GLN A 14 12.975 2.796 -1.400 1.00 10.00 C ATOM 231 CG GLN A 14 11.553 2.285 -1.149 1.00 10.00 C ATOM 232 CD GLN A 14 10.558 2.798 -2.188 1.00 10.00 C ATOM 233 OE1 GLN A 14 9.739 2.036 -2.689 1.00 10.00 O ATOM 234 NE2 GLN A 14 10.601 4.084 -2.533 1.00 10.00 N ATOM 0 H GLN A 14 12.746 2.820 1.139 1.00 10.00 H new ATOM 0 HA GLN A 14 14.088 1.159 -0.605 1.00 10.00 H new ATOM 0 HB2 GLN A 14 12.976 3.884 -1.329 1.00 10.00 H new ATOM 0 HB3 GLN A 14 13.266 2.543 -2.420 1.00 10.00 H new ATOM 0 HG2 GLN A 14 11.555 1.195 -1.159 1.00 10.00 H new ATOM 0 HG3 GLN A 14 11.229 2.595 -0.155 1.00 10.00 H new ATOM 0 HE21 GLN A 14 11.289 4.704 -2.106 1.00 10.00 H new ATOM 0 HE22 GLN A 14 9.946 4.449 -3.224 1.00 10.00 H new ATOM 243 N GLU A 15 15.510 4.172 -0.284 1.00 10.00 N ATOM 244 CA GLU A 15 16.752 4.911 -0.477 1.00 10.00 C ATOM 245 C GLU A 15 17.929 4.168 0.167 1.00 10.00 C ATOM 246 O GLU A 15 18.987 4.030 -0.447 1.00 10.00 O ATOM 247 CB GLU A 15 16.622 6.338 0.070 1.00 10.00 C ATOM 248 CG GLU A 15 15.515 7.114 -0.658 1.00 10.00 C ATOM 249 CD GLU A 15 15.320 8.526 -0.114 1.00 10.00 C ATOM 250 OE1 GLU A 15 15.843 8.810 0.986 1.00 10.00 O ATOM 251 OE2 GLU A 15 14.621 9.293 -0.811 1.00 10.00 O ATOM 0 H GLU A 15 14.777 4.699 0.190 1.00 10.00 H new ATOM 0 HA GLU A 15 16.951 4.983 -1.546 1.00 10.00 H new ATOM 0 HB2 GLU A 15 16.403 6.302 1.137 1.00 10.00 H new ATOM 0 HB3 GLU A 15 17.571 6.861 -0.043 1.00 10.00 H new ATOM 0 HG2 GLU A 15 15.756 7.170 -1.720 1.00 10.00 H new ATOM 0 HG3 GLU A 15 14.577 6.565 -0.572 1.00 10.00 H new ATOM 258 N LYS A 16 17.744 3.684 1.395 1.00 10.00 N ATOM 259 CA LYS A 16 18.738 2.912 2.128 1.00 10.00 C ATOM 260 C LYS A 16 19.153 1.691 1.301 1.00 10.00 C ATOM 261 O LYS A 16 20.336 1.502 1.022 1.00 10.00 O ATOM 262 CB LYS A 16 18.163 2.529 3.504 1.00 10.00 C ATOM 263 CG LYS A 16 19.207 2.178 4.572 1.00 10.00 C ATOM 264 CD LYS A 16 20.036 0.931 4.231 1.00 10.00 C ATOM 265 CE LYS A 16 20.800 0.413 5.454 1.00 10.00 C ATOM 266 NZ LYS A 16 19.900 -0.208 6.443 1.00 10.00 N ATOM 0 H LYS A 16 16.878 3.823 1.916 1.00 10.00 H new ATOM 0 HA LYS A 16 19.638 3.503 2.299 1.00 10.00 H new ATOM 0 HB2 LYS A 16 17.556 3.357 3.870 1.00 10.00 H new ATOM 0 HB3 LYS A 16 17.496 1.677 3.377 1.00 10.00 H new ATOM 0 HG2 LYS A 16 19.879 3.026 4.705 1.00 10.00 H new ATOM 0 HG3 LYS A 16 18.702 2.019 5.525 1.00 10.00 H new ATOM 0 HD2 LYS A 16 19.379 0.148 3.853 1.00 10.00 H new ATOM 0 HD3 LYS A 16 20.741 1.168 3.434 1.00 10.00 H new ATOM 0 HE2 LYS A 16 21.546 -0.315 5.134 1.00 10.00 H new ATOM 0 HE3 LYS A 16 21.339 1.237 5.921 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 20.460 -0.764 7.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 19.378 0.534 6.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 19.227 -0.833 5.955 1.00 10.00 H new ATOM 280 N GLU A 17 18.188 0.865 0.889 1.00 10.00 N ATOM 281 CA GLU A 17 18.478 -0.343 0.131 1.00 10.00 C ATOM 282 C GLU A 17 19.145 -0.010 -1.203 1.00 10.00 C ATOM 283 O GLU A 17 20.063 -0.714 -1.616 1.00 10.00 O ATOM 284 CB GLU A 17 17.212 -1.190 -0.048 1.00 10.00 C ATOM 285 CG GLU A 17 16.667 -1.721 1.289 1.00 10.00 C ATOM 286 CD GLU A 17 17.693 -2.549 2.058 1.00 10.00 C ATOM 287 OE1 GLU A 17 18.107 -3.594 1.512 1.00 10.00 O ATOM 288 OE2 GLU A 17 18.062 -2.114 3.171 1.00 10.00 O ATOM 0 H GLU A 17 17.196 1.017 1.071 1.00 10.00 H new ATOM 0 HA GLU A 17 19.190 -0.943 0.698 1.00 10.00 H new ATOM 0 HB2 GLU A 17 16.444 -0.591 -0.538 1.00 10.00 H new ATOM 0 HB3 GLU A 17 17.430 -2.030 -0.707 1.00 10.00 H new ATOM 0 HG2 GLU A 17 16.349 -0.881 1.906 1.00 10.00 H new ATOM 0 HG3 GLU A 17 15.783 -2.330 1.100 1.00 10.00 H new ATOM 295 N ARG A 18 18.730 1.069 -1.872 1.00 10.00 N ATOM 296 CA ARG A 18 19.436 1.528 -3.059 1.00 10.00 C ATOM 297 C ARG A 18 20.890 1.872 -2.729 1.00 10.00 C ATOM 298 O ARG A 18 21.800 1.422 -3.417 1.00 10.00 O ATOM 299 CB ARG A 18 18.721 2.717 -3.716 1.00 10.00 C ATOM 300 CG ARG A 18 17.568 2.300 -4.644 1.00 10.00 C ATOM 301 CD ARG A 18 17.993 1.360 -5.787 1.00 10.00 C ATOM 302 NE ARG A 18 19.298 1.744 -6.358 1.00 10.00 N ATOM 303 CZ ARG A 18 20.425 1.012 -6.329 1.00 10.00 C ATOM 304 NH1 ARG A 18 20.422 -0.288 -6.022 1.00 10.00 N ATOM 305 NH2 ARG A 18 21.604 1.581 -6.585 1.00 10.00 N ATOM 0 H ARG A 18 17.919 1.631 -1.612 1.00 10.00 H new ATOM 0 HA ARG A 18 19.437 0.711 -3.780 1.00 10.00 H new ATOM 0 HB2 ARG A 18 18.332 3.373 -2.937 1.00 10.00 H new ATOM 0 HB3 ARG A 18 19.446 3.297 -4.288 1.00 10.00 H new ATOM 0 HG2 ARG A 18 16.797 1.808 -4.051 1.00 10.00 H new ATOM 0 HG3 ARG A 18 17.118 3.196 -5.072 1.00 10.00 H new ATOM 0 HD2 ARG A 18 18.046 0.337 -5.415 1.00 10.00 H new ATOM 0 HD3 ARG A 18 17.235 1.375 -6.570 1.00 10.00 H new ATOM 0 HE ARG A 18 19.350 2.652 -6.819 1.00 10.00 H new ATOM 0 HH11 ARG A 18 19.544 -0.757 -5.799 1.00 10.00 H new ATOM 0 HH12 ARG A 18 21.297 -0.811 -6.010 1.00 10.00 H new ATOM 0 HH21 ARG A 18 21.653 2.576 -6.804 1.00 10.00 H new ATOM 0 HH22 ARG A 18 22.456 1.021 -6.562 1.00 10.00 H new ATOM 319 N ASN A 19 21.121 2.653 -1.670 1.00 10.00 N ATOM 320 CA ASN A 19 22.473 3.026 -1.264 1.00 10.00 C ATOM 321 C ASN A 19 23.316 1.784 -0.967 1.00 10.00 C ATOM 322 O ASN A 19 24.480 1.722 -1.361 1.00 10.00 O ATOM 323 CB ASN A 19 22.461 3.983 -0.064 1.00 10.00 C ATOM 324 CG ASN A 19 22.307 5.435 -0.503 1.00 10.00 C ATOM 325 OD1 ASN A 19 23.282 6.176 -0.565 1.00 10.00 O ATOM 326 ND2 ASN A 19 21.088 5.861 -0.814 1.00 10.00 N ATOM 0 H ASN A 19 20.385 3.039 -1.079 1.00 10.00 H new ATOM 0 HA ASN A 19 22.931 3.557 -2.099 1.00 10.00 H new ATOM 0 HB2 ASN A 19 21.643 3.717 0.606 1.00 10.00 H new ATOM 0 HB3 ASN A 19 23.386 3.870 0.501 1.00 10.00 H new ATOM 0 HD21 ASN A 19 20.946 6.826 -1.113 1.00 10.00 H new ATOM 0 HD22 ASN A 19 20.294 5.223 -0.754 1.00 10.00 H new ATOM 333 N LYS A 20 22.733 0.797 -0.284 1.00 10.00 N ATOM 334 CA LYS A 20 23.364 -0.496 -0.060 1.00 10.00 C ATOM 335 C LYS A 20 23.700 -1.150 -1.407 1.00 10.00 C ATOM 336 O LYS A 20 24.824 -1.602 -1.623 1.00 10.00 O ATOM 337 CB LYS A 20 22.428 -1.369 0.791 1.00 10.00 C ATOM 338 CG LYS A 20 23.059 -2.708 1.202 1.00 10.00 C ATOM 339 CD LYS A 20 22.006 -3.675 1.771 1.00 10.00 C ATOM 340 CE LYS A 20 21.304 -3.160 3.034 1.00 10.00 C ATOM 341 NZ LYS A 20 22.253 -2.937 4.137 1.00 10.00 N ATOM 0 H LYS A 20 21.804 0.877 0.130 1.00 10.00 H new ATOM 0 HA LYS A 20 24.301 -0.375 0.484 1.00 10.00 H new ATOM 0 HB2 LYS A 20 22.143 -0.818 1.687 1.00 10.00 H new ATOM 0 HB3 LYS A 20 21.513 -1.562 0.231 1.00 10.00 H new ATOM 0 HG2 LYS A 20 23.544 -3.163 0.339 1.00 10.00 H new ATOM 0 HG3 LYS A 20 23.834 -2.533 1.948 1.00 10.00 H new ATOM 0 HD2 LYS A 20 21.256 -3.871 1.005 1.00 10.00 H new ATOM 0 HD3 LYS A 20 22.486 -4.627 1.997 1.00 10.00 H new ATOM 0 HE2 LYS A 20 20.786 -2.228 2.807 1.00 10.00 H new ATOM 0 HE3 LYS A 20 20.546 -3.878 3.347 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 21.731 -2.671 4.996 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 22.790 -3.810 4.315 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 22.910 -2.172 3.881 1.00 10.00 H new ATOM 355 N GLY A 21 22.724 -1.210 -2.316 1.00 10.00 N ATOM 356 CA GLY A 21 22.858 -1.829 -3.624 1.00 10.00 C ATOM 357 C GLY A 21 23.659 -0.961 -4.595 1.00 10.00 C ATOM 358 O GLY A 21 23.148 -0.570 -5.646 1.00 10.00 O ATOM 0 H GLY A 21 21.797 -0.817 -2.152 1.00 10.00 H new ATOM 0 HA2 GLY A 21 23.347 -2.797 -3.517 1.00 10.00 H new ATOM 0 HA3 GLY A 21 21.867 -2.016 -4.039 1.00 10.00 H new