USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 265 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 132 MET CE :methyl -171:sc= -3.29 (180deg=-3.51!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 92:sc= 1.3 USER MOD Single : A 148 LYS NZ :NH3+ -179:sc= -0.0102 (180deg=-0.0119) USER MOD Single : A 150 LYS NZ :NH3+ -147:sc= -0.207 (180deg=-0.98) USER MOD Single : A 152 THR OG1 : rot 55:sc= 1.12 USER MOD Single : A 159 THR OG1 : rot -89:sc= -0.408 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.200 0.129 4.272 1.00 0.00 N ATOM 77 CA ALA A 130 9.299 1.055 3.154 1.00 0.00 C ATOM 78 C ALA A 130 7.943 1.234 2.483 1.00 0.00 C ATOM 79 O ALA A 130 7.092 0.347 2.534 1.00 0.00 O ATOM 80 CB ALA A 130 10.325 0.570 2.140 1.00 0.00 C ATOM 0 HA ALA A 130 9.626 2.019 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.382 1.278 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.301 0.492 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.028 -0.408 1.761 1.00 0.00 H new ATOM 86 N ALA A 131 7.756 2.380 1.849 1.00 0.00 N ATOM 87 CA ALA A 131 6.509 2.674 1.158 1.00 0.00 C ATOM 88 C ALA A 131 6.738 3.650 0.012 1.00 0.00 C ATOM 89 O ALA A 131 6.765 4.863 0.219 1.00 0.00 O ATOM 90 CB ALA A 131 5.484 3.232 2.134 1.00 0.00 C ATOM 0 H ALA A 131 8.452 3.124 1.798 1.00 0.00 H new ATOM 0 HA ALA A 131 6.124 1.744 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.556 3.447 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.292 2.500 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.868 4.149 2.580 1.00 0.00 H new ATOM 96 N MET A 132 6.907 3.120 -1.201 1.00 0.00 N ATOM 97 CA MET A 132 7.134 3.964 -2.375 1.00 0.00 C ATOM 98 C MET A 132 6.144 5.134 -2.409 1.00 0.00 C ATOM 99 O MET A 132 5.167 5.147 -1.662 1.00 0.00 O ATOM 100 CB MET A 132 7.042 3.136 -3.661 1.00 0.00 C ATOM 101 CG MET A 132 5.759 2.329 -3.792 1.00 0.00 C ATOM 102 SD MET A 132 5.587 1.557 -5.414 1.00 0.00 S ATOM 103 CE MET A 132 7.243 0.925 -5.674 1.00 0.00 C ATOM 0 H MET A 132 6.891 2.119 -1.395 1.00 0.00 H new ATOM 0 HA MET A 132 8.140 4.378 -2.306 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.126 3.805 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.892 2.455 -3.703 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.739 1.557 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.904 2.981 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.338 0.563 -6.698 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.967 1.721 -5.502 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.433 0.106 -4.981 1.00 0.00 H new ATOM 113 N PRO A 133 6.394 6.141 -3.265 1.00 0.00 N ATOM 114 CA PRO A 133 5.531 7.327 -3.376 1.00 0.00 C ATOM 115 C PRO A 133 4.141 6.999 -3.906 1.00 0.00 C ATOM 116 O PRO A 133 3.134 7.429 -3.343 1.00 0.00 O ATOM 117 CB PRO A 133 6.277 8.234 -4.366 1.00 0.00 C ATOM 118 CG PRO A 133 7.664 7.690 -4.433 1.00 0.00 C ATOM 119 CD PRO A 133 7.539 6.217 -4.183 1.00 0.00 C ATOM 0 HA PRO A 133 5.361 7.785 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.802 8.220 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.277 9.270 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.113 7.884 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.305 8.160 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.357 5.664 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.444 5.804 -3.737 1.00 0.00 H new ATOM 127 N ALA A 134 4.092 6.243 -4.995 1.00 0.00 N ATOM 128 CA ALA A 134 2.826 5.864 -5.607 1.00 0.00 C ATOM 129 C ALA A 134 1.898 5.195 -4.596 1.00 0.00 C ATOM 130 O ALA A 134 0.729 5.568 -4.467 1.00 0.00 O ATOM 131 CB ALA A 134 3.083 4.940 -6.787 1.00 0.00 C ATOM 0 H ALA A 134 4.916 5.880 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 134 2.330 6.768 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.133 4.659 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.701 5.454 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.600 4.044 -6.442 1.00 0.00 H new ATOM 137 N ALA A 135 2.427 4.209 -3.882 1.00 0.00 N ATOM 138 CA ALA A 135 1.654 3.484 -2.883 1.00 0.00 C ATOM 139 C ALA A 135 1.348 4.364 -1.678 1.00 0.00 C ATOM 140 O ALA A 135 0.280 4.260 -1.074 1.00 0.00 O ATOM 141 CB ALA A 135 2.395 2.229 -2.455 1.00 0.00 C ATOM 0 H ALA A 135 3.392 3.893 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 135 0.704 3.194 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.807 1.696 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.551 1.585 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.360 2.504 -2.029 1.00 0.00 H new ATOM 147 N ARG A 136 2.290 5.233 -1.338 1.00 0.00 N ATOM 148 CA ARG A 136 2.123 6.140 -0.210 1.00 0.00 C ATOM 149 C ARG A 136 1.021 7.149 -0.496 1.00 0.00 C ATOM 150 O ARG A 136 0.129 7.370 0.324 1.00 0.00 O ATOM 151 CB ARG A 136 3.432 6.878 0.061 1.00 0.00 C ATOM 152 CG ARG A 136 4.258 6.259 1.172 1.00 0.00 C ATOM 153 CD ARG A 136 4.029 6.966 2.498 1.00 0.00 C ATOM 154 NE ARG A 136 4.903 8.127 2.657 1.00 0.00 N ATOM 155 CZ ARG A 136 5.140 8.723 3.823 1.00 0.00 C ATOM 156 NH1 ARG A 136 4.569 8.274 4.935 1.00 0.00 N ATOM 157 NH2 ARG A 136 5.950 9.770 3.880 1.00 0.00 N ATOM 0 H ARG A 136 3.179 5.329 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 136 1.846 5.554 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.025 6.898 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.209 7.913 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 136 4.002 5.204 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.315 6.307 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.988 7.284 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.202 6.267 3.316 1.00 0.00 H new ATOM 0 HE ARG A 136 5.358 8.502 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.945 7.468 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.755 8.735 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.392 10.120 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.131 10.226 4.774 1.00 0.00 H new ATOM 171 N ARG A 137 1.100 7.758 -1.670 1.00 0.00 N ATOM 172 CA ARG A 137 0.120 8.753 -2.087 1.00 0.00 C ATOM 173 C ARG A 137 -1.281 8.160 -2.109 1.00 0.00 C ATOM 174 O ARG A 137 -2.200 8.690 -1.484 1.00 0.00 O ATOM 175 CB ARG A 137 0.473 9.295 -3.471 1.00 0.00 C ATOM 176 CG ARG A 137 -0.393 10.468 -3.902 1.00 0.00 C ATOM 177 CD ARG A 137 -0.133 10.852 -5.350 1.00 0.00 C ATOM 178 NE ARG A 137 -0.133 12.302 -5.540 1.00 0.00 N ATOM 179 CZ ARG A 137 0.887 13.092 -5.215 1.00 0.00 C ATOM 180 NH1 ARG A 137 1.990 12.579 -4.685 1.00 0.00 N ATOM 181 NH2 ARG A 137 0.805 14.400 -5.421 1.00 0.00 N ATOM 0 H ARG A 137 1.835 7.580 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 137 0.140 9.570 -1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.518 9.604 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.375 8.493 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.445 10.210 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.195 11.324 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.827 10.445 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -0.895 10.403 -5.987 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.964 12.733 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 137 2.059 11.574 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.769 13.190 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.040 14.800 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.587 15.006 -5.172 1.00 0.00 H new ATOM 195 N LEU A 138 -1.439 7.056 -2.830 1.00 0.00 N ATOM 196 CA LEU A 138 -2.723 6.398 -2.929 1.00 0.00 C ATOM 197 C LEU A 138 -3.170 5.894 -1.564 1.00 0.00 C ATOM 198 O LEU A 138 -4.342 5.978 -1.220 1.00 0.00 O ATOM 199 CB LEU A 138 -2.635 5.241 -3.919 1.00 0.00 C ATOM 200 CG LEU A 138 -1.740 4.090 -3.486 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.484 3.160 -2.546 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.244 3.334 -4.703 1.00 0.00 C ATOM 0 H LEU A 138 -0.689 6.603 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.461 7.116 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.639 4.855 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.272 5.625 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.881 4.495 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.827 2.343 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.800 3.713 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.360 2.755 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.604 2.511 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.095 2.938 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.676 4.008 -5.344 1.00 0.00 H new ATOM 214 N ALA A 139 -2.227 5.365 -0.788 1.00 0.00 N ATOM 215 CA ALA A 139 -2.537 4.849 0.541 1.00 0.00 C ATOM 216 C ALA A 139 -3.190 5.926 1.399 1.00 0.00 C ATOM 217 O ALA A 139 -4.115 5.651 2.167 1.00 0.00 O ATOM 218 CB ALA A 139 -1.276 4.326 1.212 1.00 0.00 C ATOM 0 H ALA A 139 -1.246 5.283 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.242 4.025 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.523 3.944 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.849 3.524 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.551 5.135 1.305 1.00 0.00 H new ATOM 224 N LYS A 140 -2.701 7.155 1.259 1.00 0.00 N ATOM 225 CA LYS A 140 -3.231 8.284 2.013 1.00 0.00 C ATOM 226 C LYS A 140 -4.556 8.760 1.423 1.00 0.00 C ATOM 227 O LYS A 140 -5.431 9.237 2.147 1.00 0.00 O ATOM 228 CB LYS A 140 -2.221 9.434 2.023 1.00 0.00 C ATOM 229 CG LYS A 140 -2.685 10.645 2.816 1.00 0.00 C ATOM 230 CD LYS A 140 -1.755 11.830 2.620 1.00 0.00 C ATOM 231 CE LYS A 140 -2.429 13.137 3.002 1.00 0.00 C ATOM 232 NZ LYS A 140 -1.529 14.307 2.803 1.00 0.00 N ATOM 0 H LYS A 140 -1.936 7.394 0.628 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.408 7.955 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.280 9.076 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.019 9.738 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.694 10.918 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.734 10.391 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.857 11.693 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.436 11.875 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.331 13.268 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -2.741 13.093 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.027 15.178 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.679 14.195 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -1.251 14.365 1.802 1.00 0.00 H new ATOM 246 N GLU A 141 -4.699 8.628 0.107 1.00 0.00 N ATOM 247 CA GLU A 141 -5.923 9.048 -0.573 1.00 0.00 C ATOM 248 C GLU A 141 -7.014 7.985 -0.444 1.00 0.00 C ATOM 249 O GLU A 141 -8.202 8.279 -0.584 1.00 0.00 O ATOM 250 CB GLU A 141 -5.633 9.331 -2.051 1.00 0.00 C ATOM 251 CG GLU A 141 -6.865 9.718 -2.853 1.00 0.00 C ATOM 252 CD GLU A 141 -6.619 9.687 -4.349 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.611 10.273 -4.797 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.436 9.078 -5.072 1.00 0.00 O ATOM 0 H GLU A 141 -3.987 8.235 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.281 9.961 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.898 10.133 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.182 8.446 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.682 9.039 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.185 10.719 -2.561 1.00 0.00 H new ATOM 261 N LEU A 142 -6.599 6.753 -0.175 1.00 0.00 N ATOM 262 CA LEU A 142 -7.522 5.637 -0.025 1.00 0.00 C ATOM 263 C LEU A 142 -7.901 5.447 1.439 1.00 0.00 C ATOM 264 O LEU A 142 -8.986 4.957 1.752 1.00 0.00 O ATOM 265 CB LEU A 142 -6.879 4.357 -0.562 1.00 0.00 C ATOM 266 CG LEU A 142 -6.978 4.162 -2.077 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.655 3.667 -2.643 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.101 3.193 -2.414 1.00 0.00 C ATOM 0 H LEU A 142 -5.618 6.501 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.426 5.856 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.826 4.353 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.344 3.502 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.204 5.125 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.747 3.535 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.873 4.397 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.396 2.714 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.159 3.065 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.903 2.229 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.047 3.589 -2.045 1.00 0.00 H new ATOM 280 N GLY A 143 -6.992 5.827 2.331 1.00 0.00 N ATOM 281 CA GLY A 143 -7.240 5.683 3.752 1.00 0.00 C ATOM 282 C GLY A 143 -6.970 4.275 4.231 1.00 0.00 C ATOM 283 O GLY A 143 -7.720 3.729 5.041 1.00 0.00 O ATOM 0 H GLY A 143 -6.087 6.233 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.610 6.381 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.275 5.948 3.969 1.00 0.00 H new ATOM 287 N ILE A 144 -5.895 3.685 3.723 1.00 0.00 N ATOM 288 CA ILE A 144 -5.520 2.327 4.093 1.00 0.00 C ATOM 289 C ILE A 144 -4.159 2.307 4.785 1.00 0.00 C ATOM 290 O ILE A 144 -3.178 2.835 4.262 1.00 0.00 O ATOM 291 CB ILE A 144 -5.492 1.407 2.850 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.732 -0.051 3.254 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.178 1.555 2.089 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.511 -0.747 3.812 1.00 0.00 C ATOM 0 H ILE A 144 -5.267 4.127 3.052 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.271 1.953 4.789 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.298 1.712 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.528 -0.084 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.086 -0.604 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.185 0.897 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.062 2.588 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.347 1.286 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.765 -1.774 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.719 -0.749 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.167 -0.221 4.702 1.00 0.00 H new ATOM 306 N ASP A 145 -4.105 1.697 5.965 1.00 0.00 N ATOM 307 CA ASP A 145 -2.860 1.615 6.719 1.00 0.00 C ATOM 308 C ASP A 145 -1.787 0.898 5.907 1.00 0.00 C ATOM 309 O ASP A 145 -1.781 -0.331 5.821 1.00 0.00 O ATOM 310 CB ASP A 145 -3.087 0.882 8.044 1.00 0.00 C ATOM 311 CG ASP A 145 -2.427 1.584 9.214 1.00 0.00 C ATOM 312 OD1 ASP A 145 -3.021 2.551 9.737 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.317 1.168 9.607 1.00 0.00 O ATOM 0 H ASP A 145 -4.905 1.254 6.418 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.521 2.629 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.158 0.799 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.697 -0.133 7.966 1.00 0.00 H new ATOM 318 N ALA A 146 -0.882 1.668 5.311 1.00 0.00 N ATOM 319 CA ALA A 146 0.190 1.095 4.508 1.00 0.00 C ATOM 320 C ALA A 146 1.021 0.118 5.331 1.00 0.00 C ATOM 321 O ALA A 146 1.395 -0.952 4.849 1.00 0.00 O ATOM 322 CB ALA A 146 1.069 2.193 3.931 1.00 0.00 C ATOM 0 H ALA A 146 -0.870 2.686 5.369 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.260 0.544 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.864 1.746 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.467 2.848 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.507 2.773 4.743 1.00 0.00 H new ATOM 328 N SER A 147 1.298 0.482 6.580 1.00 0.00 N ATOM 329 CA SER A 147 2.075 -0.376 7.467 1.00 0.00 C ATOM 330 C SER A 147 1.441 -1.758 7.550 1.00 0.00 C ATOM 331 O SER A 147 2.111 -2.771 7.355 1.00 0.00 O ATOM 332 CB SER A 147 2.183 0.245 8.862 1.00 0.00 C ATOM 333 OG SER A 147 1.238 1.288 9.033 1.00 0.00 O ATOM 0 H SER A 147 0.997 1.362 6.999 1.00 0.00 H new ATOM 0 HA SER A 147 3.080 -0.475 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.022 -0.523 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.190 0.634 9.013 1.00 0.00 H new ATOM 0 HG SER A 147 0.417 0.924 9.425 1.00 0.00 H new ATOM 339 N LYS A 148 0.137 -1.794 7.814 1.00 0.00 N ATOM 340 CA LYS A 148 -0.580 -3.058 7.886 1.00 0.00 C ATOM 341 C LYS A 148 -0.405 -3.817 6.572 1.00 0.00 C ATOM 342 O LYS A 148 -0.399 -5.047 6.543 1.00 0.00 O ATOM 343 CB LYS A 148 -2.064 -2.817 8.205 1.00 0.00 C ATOM 344 CG LYS A 148 -2.986 -2.876 6.997 1.00 0.00 C ATOM 345 CD LYS A 148 -3.337 -4.311 6.649 1.00 0.00 C ATOM 346 CE LYS A 148 -4.729 -4.682 7.135 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.819 -4.676 8.622 1.00 0.00 N ATOM 0 H LYS A 148 -0.438 -0.968 7.980 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.169 -3.665 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.391 -3.559 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.167 -1.840 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.897 -2.315 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.504 -2.399 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.280 -4.448 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.604 -4.984 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.456 -3.981 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.993 -5.671 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.779 -4.951 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.132 -5.351 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.609 -3.722 8.979 1.00 0.00 H new ATOM 361 N VAL A 149 -0.238 -3.059 5.488 1.00 0.00 N ATOM 362 CA VAL A 149 -0.034 -3.635 4.168 1.00 0.00 C ATOM 363 C VAL A 149 1.432 -4.024 3.986 1.00 0.00 C ATOM 364 O VAL A 149 2.217 -3.259 3.433 1.00 0.00 O ATOM 365 CB VAL A 149 -0.442 -2.636 3.062 1.00 0.00 C ATOM 366 CG1 VAL A 149 0.017 -3.107 1.689 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.945 -2.414 3.078 1.00 0.00 C ATOM 0 H VAL A 149 -0.241 -2.039 5.504 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.660 -4.523 4.086 1.00 0.00 H new ATOM 0 HB VAL A 149 0.054 -1.688 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.287 -2.381 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.103 -3.205 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.436 -4.073 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.217 -1.708 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.455 -3.362 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.243 -2.013 4.047 1.00 0.00 H new ATOM 377 N LYS A 150 1.794 -5.212 4.465 1.00 0.00 N ATOM 378 CA LYS A 150 3.170 -5.696 4.364 1.00 0.00 C ATOM 379 C LYS A 150 3.693 -5.587 2.934 1.00 0.00 C ATOM 380 O LYS A 150 3.529 -6.505 2.130 1.00 0.00 O ATOM 381 CB LYS A 150 3.256 -7.147 4.836 1.00 0.00 C ATOM 382 CG LYS A 150 2.324 -8.089 4.090 1.00 0.00 C ATOM 383 CD LYS A 150 1.786 -9.178 5.003 1.00 0.00 C ATOM 384 CE LYS A 150 2.578 -10.468 4.860 1.00 0.00 C ATOM 385 NZ LYS A 150 2.556 -10.981 3.461 1.00 0.00 N ATOM 0 H LYS A 150 1.154 -5.858 4.927 1.00 0.00 H new ATOM 0 HA LYS A 150 3.791 -5.069 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.282 -7.497 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 150 3.024 -7.188 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.493 -7.523 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.856 -8.543 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 150 1.826 -8.839 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.738 -9.366 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 150 3.610 -10.297 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.167 -11.223 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.578 -12.021 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 1.689 -10.658 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 3.386 -10.623 2.947 1.00 0.00 H new ATOM 399 N GLY A 151 4.321 -4.457 2.627 1.00 0.00 N ATOM 400 CA GLY A 151 4.858 -4.242 1.297 1.00 0.00 C ATOM 401 C GLY A 151 5.906 -5.263 0.910 1.00 0.00 C ATOM 402 O GLY A 151 6.715 -5.681 1.739 1.00 0.00 O ATOM 0 H GLY A 151 4.468 -3.685 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.044 -4.273 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.294 -3.244 1.244 1.00 0.00 H new ATOM 406 N THR A 152 5.895 -5.661 -0.358 1.00 0.00 N ATOM 407 CA THR A 152 6.855 -6.639 -0.863 1.00 0.00 C ATOM 408 C THR A 152 7.719 -6.032 -1.971 1.00 0.00 C ATOM 409 O THR A 152 8.406 -6.749 -2.697 1.00 0.00 O ATOM 410 CB THR A 152 6.128 -7.895 -1.376 1.00 0.00 C ATOM 411 OG1 THR A 152 6.407 -8.127 -2.746 1.00 0.00 O ATOM 412 CG2 THR A 152 4.624 -7.828 -1.228 1.00 0.00 C ATOM 0 H THR A 152 5.232 -5.322 -1.055 1.00 0.00 H new ATOM 0 HA THR A 152 7.509 -6.928 -0.040 1.00 0.00 H new ATOM 0 HB THR A 152 6.506 -8.705 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.377 -8.167 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.179 -8.747 -1.610 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.367 -7.711 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.240 -6.978 -1.792 1.00 0.00 H new ATOM 420 N GLY A 153 7.680 -4.707 -2.096 1.00 0.00 N ATOM 421 CA GLY A 153 8.460 -4.039 -3.119 1.00 0.00 C ATOM 422 C GLY A 153 9.940 -3.979 -2.782 1.00 0.00 C ATOM 423 O GLY A 153 10.313 -4.053 -1.611 1.00 0.00 O ATOM 0 H GLY A 153 7.123 -4.088 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.328 -4.559 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.081 -3.026 -3.255 1.00 0.00 H new ATOM 427 N PRO A 154 10.811 -3.837 -3.798 1.00 0.00 N ATOM 428 CA PRO A 154 12.263 -3.768 -3.605 1.00 0.00 C ATOM 429 C PRO A 154 12.664 -2.871 -2.439 1.00 0.00 C ATOM 430 O PRO A 154 12.639 -1.646 -2.546 1.00 0.00 O ATOM 431 CB PRO A 154 12.756 -3.183 -4.926 1.00 0.00 C ATOM 432 CG PRO A 154 11.770 -3.661 -5.934 1.00 0.00 C ATOM 433 CD PRO A 154 10.442 -3.727 -5.223 1.00 0.00 C ATOM 0 HA PRO A 154 12.689 -4.741 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.791 -2.094 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.763 -3.527 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.723 -2.982 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.053 -4.639 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.842 -2.837 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.854 -4.584 -5.551 1.00 0.00 H new ATOM 441 N GLY A 155 13.034 -3.494 -1.326 1.00 0.00 N ATOM 442 CA GLY A 155 13.434 -2.742 -0.152 1.00 0.00 C ATOM 443 C GLY A 155 12.314 -2.627 0.862 1.00 0.00 C ATOM 444 O GLY A 155 12.300 -1.710 1.682 1.00 0.00 O ATOM 0 H GLY A 155 13.064 -4.508 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.294 -3.226 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.753 -1.744 -0.453 1.00 0.00 H new ATOM 448 N GLY A 156 11.370 -3.562 0.804 1.00 0.00 N ATOM 449 CA GLY A 156 10.252 -3.543 1.727 1.00 0.00 C ATOM 450 C GLY A 156 9.275 -2.422 1.438 1.00 0.00 C ATOM 451 O GLY A 156 8.527 -2.004 2.322 1.00 0.00 O ATOM 0 H GLY A 156 11.360 -4.331 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.728 -4.498 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.628 -3.439 2.745 1.00 0.00 H new ATOM 455 N VAL A 157 9.278 -1.921 0.204 1.00 0.00 N ATOM 456 CA VAL A 157 8.381 -0.834 -0.161 1.00 0.00 C ATOM 457 C VAL A 157 7.019 -1.368 -0.579 1.00 0.00 C ATOM 458 O VAL A 157 6.919 -2.192 -1.489 1.00 0.00 O ATOM 459 CB VAL A 157 8.956 0.061 -1.299 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.445 -0.154 -1.486 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.234 -0.163 -2.624 1.00 0.00 C ATOM 0 H VAL A 157 9.884 -2.247 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 157 8.275 -0.216 0.731 1.00 0.00 H new ATOM 0 HB VAL A 157 8.789 1.092 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.807 0.488 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 157 10.967 0.091 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.633 -1.197 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.668 0.482 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.341 -1.205 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.177 0.074 -2.507 1.00 0.00 H new ATOM 471 N ILE A 158 5.965 -0.879 0.063 1.00 0.00 N ATOM 472 CA ILE A 158 4.625 -1.304 -0.296 1.00 0.00 C ATOM 473 C ILE A 158 4.346 -0.864 -1.722 1.00 0.00 C ATOM 474 O ILE A 158 4.272 0.326 -2.015 1.00 0.00 O ATOM 475 CB ILE A 158 3.553 -0.740 0.658 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.595 0.787 0.703 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.739 -1.309 2.054 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.279 1.394 1.133 1.00 0.00 C ATOM 0 H ILE A 158 6.013 -0.199 0.822 1.00 0.00 H new ATOM 0 HA ILE A 158 4.574 -2.390 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 158 2.577 -1.039 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.379 1.105 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.862 1.168 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 158 2.976 -0.902 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.649 -2.395 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.726 -1.039 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.367 2.480 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.497 1.102 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.023 1.038 2.131 1.00 0.00 H new ATOM 490 N THR A 159 4.242 -1.828 -2.620 1.00 0.00 N ATOM 491 CA THR A 159 4.027 -1.516 -4.020 1.00 0.00 C ATOM 492 C THR A 159 2.597 -1.083 -4.279 1.00 0.00 C ATOM 493 O THR A 159 1.682 -1.394 -3.516 1.00 0.00 O ATOM 494 CB THR A 159 4.403 -2.711 -4.893 1.00 0.00 C ATOM 495 OG1 THR A 159 3.670 -3.862 -4.517 1.00 0.00 O ATOM 496 CG2 THR A 159 5.876 -3.051 -4.814 1.00 0.00 C ATOM 0 H THR A 159 4.302 -2.824 -2.407 1.00 0.00 H new ATOM 0 HA THR A 159 4.673 -0.678 -4.282 1.00 0.00 H new ATOM 0 HB THR A 159 4.163 -2.418 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.161 -4.351 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.086 -3.908 -5.454 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.465 -2.196 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.139 -3.294 -3.784 1.00 0.00 H new ATOM 504 N VAL A 160 2.418 -0.339 -5.356 1.00 0.00 N ATOM 505 CA VAL A 160 1.104 0.167 -5.721 1.00 0.00 C ATOM 506 C VAL A 160 0.087 -0.957 -5.811 1.00 0.00 C ATOM 507 O VAL A 160 -1.046 -0.826 -5.345 1.00 0.00 O ATOM 508 CB VAL A 160 1.123 0.935 -7.057 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.212 2.129 -6.945 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.529 1.377 -7.440 1.00 0.00 C ATOM 0 H VAL A 160 3.166 -0.071 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 160 0.816 0.858 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 160 0.774 0.267 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.218 2.680 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.802 1.794 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.560 2.778 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.496 1.914 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.928 2.032 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.171 0.502 -7.541 1.00 0.00 H new ATOM 520 N GLU A 161 0.502 -2.065 -6.401 1.00 0.00 N ATOM 521 CA GLU A 161 -0.363 -3.223 -6.544 1.00 0.00 C ATOM 522 C GLU A 161 -0.687 -3.806 -5.174 1.00 0.00 C ATOM 523 O GLU A 161 -1.740 -4.411 -4.973 1.00 0.00 O ATOM 524 CB GLU A 161 0.305 -4.280 -7.424 1.00 0.00 C ATOM 525 CG GLU A 161 0.012 -4.109 -8.905 1.00 0.00 C ATOM 526 CD GLU A 161 -1.371 -4.602 -9.287 1.00 0.00 C ATOM 527 OE1 GLU A 161 -2.342 -4.246 -8.586 1.00 0.00 O ATOM 528 OE2 GLU A 161 -1.483 -5.341 -10.288 1.00 0.00 O ATOM 0 H GLU A 161 1.437 -2.187 -6.790 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.291 -2.910 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.383 -4.242 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.028 -5.268 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 161 0.104 -3.056 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.760 -4.651 -9.484 1.00 0.00 H new ATOM 535 N ASP A 162 0.227 -3.606 -4.231 1.00 0.00 N ATOM 536 CA ASP A 162 0.040 -4.103 -2.875 1.00 0.00 C ATOM 537 C ASP A 162 -1.081 -3.341 -2.183 1.00 0.00 C ATOM 538 O ASP A 162 -1.962 -3.934 -1.558 1.00 0.00 O ATOM 539 CB ASP A 162 1.333 -3.964 -2.065 1.00 0.00 C ATOM 540 CG ASP A 162 2.375 -5.002 -2.432 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.992 -6.071 -2.953 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.577 -4.745 -2.197 1.00 0.00 O ATOM 0 H ASP A 162 1.102 -3.104 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.227 -5.158 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.748 -2.969 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.101 -4.049 -1.003 1.00 0.00 H new ATOM 547 N VAL A 163 -1.041 -2.020 -2.303 1.00 0.00 N ATOM 548 CA VAL A 163 -2.054 -1.167 -1.686 1.00 0.00 C ATOM 549 C VAL A 163 -3.377 -1.238 -2.438 1.00 0.00 C ATOM 550 O VAL A 163 -4.444 -1.275 -1.831 1.00 0.00 O ATOM 551 CB VAL A 163 -1.636 0.321 -1.625 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.945 0.910 -0.254 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.169 0.529 -1.975 1.00 0.00 C ATOM 0 H VAL A 163 -0.321 -1.515 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.164 -1.551 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.223 0.846 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.644 1.957 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.015 0.836 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.398 0.359 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.072 1.590 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.455 -0.024 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.018 0.169 -2.987 1.00 0.00 H new ATOM 563 N LYS A 164 -3.303 -1.226 -3.762 1.00 0.00 N ATOM 564 CA LYS A 164 -4.496 -1.261 -4.593 1.00 0.00 C ATOM 565 C LYS A 164 -5.316 -2.520 -4.348 1.00 0.00 C ATOM 566 O LYS A 164 -6.533 -2.454 -4.173 1.00 0.00 O ATOM 567 CB LYS A 164 -4.099 -1.163 -6.063 1.00 0.00 C ATOM 568 CG LYS A 164 -4.408 0.187 -6.683 1.00 0.00 C ATOM 569 CD LYS A 164 -4.905 0.045 -8.113 1.00 0.00 C ATOM 570 CE LYS A 164 -4.709 1.330 -8.902 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.827 1.571 -9.855 1.00 0.00 N ATOM 0 H LYS A 164 -2.427 -1.192 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.121 -0.409 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.031 -1.362 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.619 -1.940 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.161 0.699 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.513 0.808 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.373 -0.770 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.962 -0.222 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.631 2.171 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -3.769 1.280 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -5.656 2.456 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -5.885 0.781 -10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -6.721 1.645 -9.329 1.00 0.00 H new