USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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 179:sc= -0.894 (180deg=-0.909) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 87:sc= 0.183 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.0389 USER MOD Single : A 159 THR OG1 : rot -91:sc= -0.544 USER MOD Single : A 164 LYS NZ :NH3+ -149:sc= -0.282 (180deg=-1.21!) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.373 0.230 4.198 1.00 0.00 N ATOM 77 CA ALA A 130 9.407 1.152 3.074 1.00 0.00 C ATOM 78 C ALA A 130 8.029 1.291 2.440 1.00 0.00 C ATOM 79 O ALA A 130 7.214 0.369 2.489 1.00 0.00 O ATOM 80 CB ALA A 130 10.422 0.693 2.039 1.00 0.00 C ATOM 0 HA ALA A 130 9.709 2.130 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.434 1.395 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.412 0.652 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.149 -0.298 1.676 1.00 0.00 H new ATOM 86 N ALA A 131 7.781 2.445 1.841 1.00 0.00 N ATOM 87 CA ALA A 131 6.508 2.712 1.183 1.00 0.00 C ATOM 88 C ALA A 131 6.691 3.686 0.026 1.00 0.00 C ATOM 89 O ALA A 131 6.690 4.901 0.224 1.00 0.00 O ATOM 90 CB ALA A 131 5.501 3.258 2.184 1.00 0.00 C ATOM 0 H ALA A 131 8.447 3.216 1.796 1.00 0.00 H new ATOM 0 HA ALA A 131 6.126 1.774 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.555 3.453 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.345 2.528 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.881 4.185 2.613 1.00 0.00 H new ATOM 96 N MET A 132 6.856 3.152 -1.187 1.00 0.00 N ATOM 97 CA MET A 132 7.047 3.990 -2.370 1.00 0.00 C ATOM 98 C MET A 132 6.029 5.135 -2.404 1.00 0.00 C ATOM 99 O MET A 132 5.062 5.136 -1.641 1.00 0.00 O ATOM 100 CB MET A 132 6.961 3.149 -3.649 1.00 0.00 C ATOM 101 CG MET A 132 5.677 2.345 -3.783 1.00 0.00 C ATOM 102 SD MET A 132 5.409 1.742 -5.461 1.00 0.00 S ATOM 103 CE MET A 132 6.865 0.725 -5.698 1.00 0.00 C ATOM 0 H MET A 132 6.861 2.149 -1.374 1.00 0.00 H new ATOM 0 HA MET A 132 8.043 4.428 -2.314 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.054 3.809 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.809 2.465 -3.678 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.710 1.498 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.832 2.965 -3.484 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.833 0.268 -6.687 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.759 1.343 -5.613 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.891 -0.056 -4.938 1.00 0.00 H new ATOM 113 N PRO A 133 6.245 6.136 -3.276 1.00 0.00 N ATOM 114 CA PRO A 133 5.356 7.300 -3.388 1.00 0.00 C ATOM 115 C PRO A 133 3.968 6.937 -3.904 1.00 0.00 C ATOM 116 O PRO A 133 2.957 7.353 -3.338 1.00 0.00 O ATOM 117 CB PRO A 133 6.072 8.216 -4.393 1.00 0.00 C ATOM 118 CG PRO A 133 7.469 7.699 -4.471 1.00 0.00 C ATOM 119 CD PRO A 133 7.376 6.226 -4.207 1.00 0.00 C ATOM 0 HA PRO A 133 5.185 7.761 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.586 8.185 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.055 9.254 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 133 7.904 7.894 -5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.108 8.188 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.194 5.661 -5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.294 5.834 -3.768 1.00 0.00 H new ATOM 127 N ALA A 134 3.925 6.169 -4.983 1.00 0.00 N ATOM 128 CA ALA A 134 2.661 5.757 -5.583 1.00 0.00 C ATOM 129 C ALA A 134 1.751 5.080 -4.560 1.00 0.00 C ATOM 130 O ALA A 134 0.568 5.409 -4.451 1.00 0.00 O ATOM 131 CB ALA A 134 2.927 4.829 -6.759 1.00 0.00 C ATOM 0 H ALA A 134 4.753 5.817 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 134 2.145 6.649 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.980 4.524 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.527 5.350 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.465 3.947 -6.412 1.00 0.00 H new ATOM 137 N ALA A 135 2.311 4.135 -3.815 1.00 0.00 N ATOM 138 CA ALA A 135 1.556 3.407 -2.802 1.00 0.00 C ATOM 139 C ALA A 135 1.255 4.296 -1.605 1.00 0.00 C ATOM 140 O ALA A 135 0.201 4.185 -0.981 1.00 0.00 O ATOM 141 CB ALA A 135 2.320 2.166 -2.371 1.00 0.00 C ATOM 0 H ALA A 135 3.288 3.854 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 135 0.605 3.098 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.747 1.630 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.478 1.518 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.285 2.458 -1.956 1.00 0.00 H new ATOM 147 N ARG A 136 2.187 5.187 -1.298 1.00 0.00 N ATOM 148 CA ARG A 136 2.027 6.111 -0.186 1.00 0.00 C ATOM 149 C ARG A 136 0.930 7.121 -0.494 1.00 0.00 C ATOM 150 O ARG A 136 0.062 7.398 0.337 1.00 0.00 O ATOM 151 CB ARG A 136 3.345 6.839 0.073 1.00 0.00 C ATOM 152 CG ARG A 136 4.280 6.093 1.009 1.00 0.00 C ATOM 153 CD ARG A 136 3.844 6.227 2.459 1.00 0.00 C ATOM 154 NE ARG A 136 4.504 7.346 3.128 1.00 0.00 N ATOM 155 CZ ARG A 136 4.641 7.447 4.449 1.00 0.00 C ATOM 156 NH1 ARG A 136 4.161 6.502 5.247 1.00 0.00 N ATOM 157 NH2 ARG A 136 5.257 8.497 4.972 1.00 0.00 N ATOM 0 H ARG A 136 3.065 5.289 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 136 1.746 5.548 0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.852 7.004 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.131 7.821 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 136 4.308 5.039 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.293 6.479 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.764 6.365 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.068 5.303 2.992 1.00 0.00 H new ATOM 0 HE ARG A 136 4.883 8.095 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.684 5.693 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.269 6.585 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.626 9.227 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.362 8.575 5.984 1.00 0.00 H new ATOM 171 N ARG A 137 0.979 7.664 -1.705 1.00 0.00 N ATOM 172 CA ARG A 137 0.000 8.645 -2.152 1.00 0.00 C ATOM 173 C ARG A 137 -1.404 8.060 -2.133 1.00 0.00 C ATOM 174 O ARG A 137 -2.308 8.607 -1.501 1.00 0.00 O ATOM 175 CB ARG A 137 0.335 9.118 -3.564 1.00 0.00 C ATOM 176 CG ARG A 137 -0.556 10.247 -4.057 1.00 0.00 C ATOM 177 CD ARG A 137 -0.122 10.742 -5.428 1.00 0.00 C ATOM 178 NE ARG A 137 0.651 11.979 -5.344 1.00 0.00 N ATOM 179 CZ ARG A 137 0.155 13.136 -4.910 1.00 0.00 C ATOM 180 NH1 ARG A 137 -1.110 13.218 -4.520 1.00 0.00 N ATOM 181 NH2 ARG A 137 0.927 14.212 -4.865 1.00 0.00 N ATOM 0 H ARG A 137 1.692 7.439 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 137 0.035 9.492 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.373 9.448 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.251 8.275 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.589 9.903 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.527 11.072 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.476 9.974 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -1.002 10.906 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 137 1.628 11.955 -5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -1.708 12.392 -4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.485 14.107 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 137 1.901 14.154 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 137 0.547 15.098 -4.533 1.00 0.00 H new ATOM 195 N LEU A 138 -1.581 6.943 -2.830 1.00 0.00 N ATOM 196 CA LEU A 138 -2.870 6.287 -2.893 1.00 0.00 C ATOM 197 C LEU A 138 -3.313 5.849 -1.505 1.00 0.00 C ATOM 198 O LEU A 138 -4.481 5.969 -1.155 1.00 0.00 O ATOM 199 CB LEU A 138 -2.789 5.085 -3.830 1.00 0.00 C ATOM 200 CG LEU A 138 -1.924 3.938 -3.331 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.703 3.064 -2.366 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.419 3.120 -4.503 1.00 0.00 C ATOM 0 H LEU A 138 -0.843 6.477 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.607 6.991 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.798 4.710 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.403 5.419 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.067 4.351 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.068 2.249 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.025 3.661 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.577 2.653 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.801 2.301 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.266 2.715 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.826 3.755 -5.161 1.00 0.00 H new ATOM 214 N ALA A 139 -2.372 5.338 -0.715 1.00 0.00 N ATOM 215 CA ALA A 139 -2.679 4.884 0.636 1.00 0.00 C ATOM 216 C ALA A 139 -3.280 6.015 1.462 1.00 0.00 C ATOM 217 O ALA A 139 -4.187 5.798 2.266 1.00 0.00 O ATOM 218 CB ALA A 139 -1.428 4.339 1.308 1.00 0.00 C ATOM 0 H ALA A 139 -1.395 5.229 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.415 4.083 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.673 4.004 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.041 3.499 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.672 5.123 1.360 1.00 0.00 H new ATOM 224 N LYS A 140 -2.771 7.226 1.250 1.00 0.00 N ATOM 225 CA LYS A 140 -3.257 8.398 1.968 1.00 0.00 C ATOM 226 C LYS A 140 -4.589 8.876 1.395 1.00 0.00 C ATOM 227 O LYS A 140 -5.428 9.417 2.117 1.00 0.00 O ATOM 228 CB LYS A 140 -2.226 9.526 1.898 1.00 0.00 C ATOM 229 CG LYS A 140 -2.509 10.668 2.861 1.00 0.00 C ATOM 230 CD LYS A 140 -1.420 10.792 3.915 1.00 0.00 C ATOM 231 CE LYS A 140 -0.387 11.840 3.532 1.00 0.00 C ATOM 232 NZ LYS A 140 -0.072 12.751 4.666 1.00 0.00 N ATOM 0 H LYS A 140 -2.021 7.420 0.586 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.411 8.117 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.238 9.118 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.196 9.918 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.587 11.603 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.471 10.505 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.868 11.055 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.929 9.828 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.526 11.345 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -0.758 12.424 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 0.636 13.450 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.938 13.243 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 0.306 12.198 5.461 1.00 0.00 H new ATOM 246 N GLU A 141 -4.778 8.672 0.095 1.00 0.00 N ATOM 247 CA GLU A 141 -6.010 9.083 -0.575 1.00 0.00 C ATOM 248 C GLU A 141 -7.120 8.054 -0.357 1.00 0.00 C ATOM 249 O GLU A 141 -8.306 8.382 -0.415 1.00 0.00 O ATOM 250 CB GLU A 141 -5.758 9.275 -2.073 1.00 0.00 C ATOM 251 CG GLU A 141 -7.008 9.621 -2.867 1.00 0.00 C ATOM 252 CD GLU A 141 -7.498 11.030 -2.599 1.00 0.00 C ATOM 253 OE1 GLU A 141 -8.171 11.240 -1.569 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.209 11.925 -3.422 1.00 0.00 O ATOM 0 H GLU A 141 -4.095 8.225 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.332 10.031 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.022 10.067 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.323 8.362 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.800 9.509 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.798 8.912 -2.620 1.00 0.00 H new ATOM 261 N LEU A 142 -6.722 6.813 -0.109 1.00 0.00 N ATOM 262 CA LEU A 142 -7.662 5.726 0.116 1.00 0.00 C ATOM 263 C LEU A 142 -7.970 5.581 1.602 1.00 0.00 C ATOM 264 O LEU A 142 -9.052 5.131 1.983 1.00 0.00 O ATOM 265 CB LEU A 142 -7.075 4.418 -0.417 1.00 0.00 C ATOM 266 CG LEU A 142 -7.164 4.232 -1.934 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.858 3.674 -2.483 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.325 3.319 -2.289 1.00 0.00 C ATOM 0 H LEU A 142 -5.742 6.534 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.588 5.953 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -6.027 4.362 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.587 3.586 0.065 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.339 5.206 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.941 3.549 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -5.045 4.364 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.652 2.709 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.374 3.197 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.179 2.346 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.256 3.758 -1.931 1.00 0.00 H new ATOM 280 N GLY A 143 -7.007 5.956 2.436 1.00 0.00 N ATOM 281 CA GLY A 143 -7.185 5.853 3.871 1.00 0.00 C ATOM 282 C GLY A 143 -6.942 4.446 4.371 1.00 0.00 C ATOM 283 O GLY A 143 -7.694 3.933 5.201 1.00 0.00 O ATOM 0 H GLY A 143 -6.105 6.330 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.502 6.539 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.197 6.162 4.134 1.00 0.00 H new ATOM 287 N ILE A 144 -5.890 3.818 3.858 1.00 0.00 N ATOM 288 CA ILE A 144 -5.545 2.458 4.247 1.00 0.00 C ATOM 289 C ILE A 144 -4.171 2.409 4.911 1.00 0.00 C ATOM 290 O ILE A 144 -3.196 2.943 4.382 1.00 0.00 O ATOM 291 CB ILE A 144 -5.567 1.513 3.024 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.847 0.073 3.467 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.263 1.608 2.238 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.609 -0.708 3.854 1.00 0.00 C ATOM 0 H ILE A 144 -5.261 4.231 3.170 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.293 2.123 4.966 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.373 1.826 2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.531 0.092 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.356 -0.452 2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.304 0.934 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.123 2.631 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.429 1.328 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.894 -1.716 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.931 -0.761 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.109 -0.209 4.684 1.00 0.00 H new ATOM 306 N ASP A 145 -4.101 1.769 6.072 1.00 0.00 N ATOM 307 CA ASP A 145 -2.845 1.655 6.802 1.00 0.00 C ATOM 308 C ASP A 145 -1.797 0.928 5.965 1.00 0.00 C ATOM 309 O ASP A 145 -1.813 -0.299 5.864 1.00 0.00 O ATOM 310 CB ASP A 145 -3.063 0.912 8.122 1.00 0.00 C ATOM 311 CG ASP A 145 -2.369 1.590 9.287 1.00 0.00 C ATOM 312 OD1 ASP A 145 -2.533 2.820 9.442 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.663 0.893 10.045 1.00 0.00 O ATOM 0 H ASP A 145 -4.897 1.322 6.527 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.484 2.661 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.132 0.847 8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.694 -0.109 8.027 1.00 0.00 H new ATOM 318 N ALA A 146 -0.888 1.690 5.365 1.00 0.00 N ATOM 319 CA ALA A 146 0.163 1.109 4.537 1.00 0.00 C ATOM 320 C ALA A 146 0.995 0.111 5.334 1.00 0.00 C ATOM 321 O ALA A 146 1.363 -0.949 4.826 1.00 0.00 O ATOM 322 CB ALA A 146 1.048 2.201 3.958 1.00 0.00 C ATOM 0 H ALA A 146 -0.858 2.707 5.436 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.310 0.573 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.827 1.750 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.445 2.872 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.508 2.765 4.769 1.00 0.00 H new ATOM 328 N SER A 147 1.280 0.447 6.589 1.00 0.00 N ATOM 329 CA SER A 147 2.061 -0.434 7.452 1.00 0.00 C ATOM 330 C SER A 147 1.399 -1.802 7.541 1.00 0.00 C ATOM 331 O SER A 147 2.046 -2.829 7.337 1.00 0.00 O ATOM 332 CB SER A 147 2.215 0.174 8.847 1.00 0.00 C ATOM 333 OG SER A 147 1.304 1.242 9.043 1.00 0.00 O ATOM 0 H SER A 147 0.984 1.318 7.029 1.00 0.00 H new ATOM 0 HA SER A 147 3.054 -0.551 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.047 -0.594 9.602 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.235 0.534 8.979 1.00 0.00 H new ATOM 0 HG SER A 147 0.451 0.888 9.370 1.00 0.00 H new ATOM 339 N LYS A 148 0.099 -1.809 7.817 1.00 0.00 N ATOM 340 CA LYS A 148 -0.645 -3.057 7.896 1.00 0.00 C ATOM 341 C LYS A 148 -0.526 -3.803 6.566 1.00 0.00 C ATOM 342 O LYS A 148 -0.595 -5.030 6.518 1.00 0.00 O ATOM 343 CB LYS A 148 -2.109 -2.782 8.276 1.00 0.00 C ATOM 344 CG LYS A 148 -3.108 -2.939 7.142 1.00 0.00 C ATOM 345 CD LYS A 148 -3.602 -4.370 7.061 1.00 0.00 C ATOM 346 CE LYS A 148 -4.855 -4.578 7.898 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.967 -5.164 7.101 1.00 0.00 N ATOM 0 H LYS A 148 -0.456 -0.971 7.988 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.226 -3.691 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.391 -3.456 9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.183 -1.767 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.951 -2.266 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.643 -2.655 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.811 -4.625 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.819 -5.046 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -4.625 -5.234 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.173 -3.624 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.801 -5.289 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -6.204 -4.526 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -5.673 -6.087 6.722 1.00 0.00 H new ATOM 361 N VAL A 149 -0.313 -3.040 5.493 1.00 0.00 N ATOM 362 CA VAL A 149 -0.145 -3.608 4.164 1.00 0.00 C ATOM 363 C VAL A 149 1.309 -4.026 3.958 1.00 0.00 C ATOM 364 O VAL A 149 2.117 -3.259 3.436 1.00 0.00 O ATOM 365 CB VAL A 149 -0.548 -2.594 3.069 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.102 -3.061 1.690 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.048 -2.355 3.096 1.00 0.00 C ATOM 0 H VAL A 149 -0.253 -2.022 5.524 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.795 -4.479 4.085 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.041 -1.652 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.401 -2.326 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.982 -3.172 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.568 -4.020 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.316 -1.639 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.570 -3.295 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.336 -1.959 4.070 1.00 0.00 H new ATOM 377 N LYS A 150 1.637 -5.239 4.389 1.00 0.00 N ATOM 378 CA LYS A 150 2.998 -5.759 4.269 1.00 0.00 C ATOM 379 C LYS A 150 3.533 -5.607 2.849 1.00 0.00 C ATOM 380 O LYS A 150 3.300 -6.457 1.990 1.00 0.00 O ATOM 381 CB LYS A 150 3.038 -7.233 4.675 1.00 0.00 C ATOM 382 CG LYS A 150 2.142 -8.121 3.825 1.00 0.00 C ATOM 383 CD LYS A 150 1.238 -8.991 4.684 1.00 0.00 C ATOM 384 CE LYS A 150 1.965 -10.230 5.183 1.00 0.00 C ATOM 385 NZ LYS A 150 2.458 -10.062 6.578 1.00 0.00 N ATOM 0 H LYS A 150 0.978 -5.884 4.826 1.00 0.00 H new ATOM 0 HA LYS A 150 3.632 -5.177 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.064 -7.593 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.739 -7.322 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.533 -7.501 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.757 -8.754 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 150 0.877 -8.413 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.363 -9.289 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 150 1.294 -11.088 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.806 -10.447 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.947 -10.929 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 3.118 -9.259 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 1.653 -9.881 7.211 1.00 0.00 H new ATOM 399 N GLY A 151 4.255 -4.517 2.612 1.00 0.00 N ATOM 400 CA GLY A 151 4.819 -4.269 1.300 1.00 0.00 C ATOM 401 C GLY A 151 5.847 -5.308 0.901 1.00 0.00 C ATOM 402 O GLY A 151 6.596 -5.805 1.743 1.00 0.00 O ATOM 0 H GLY A 151 4.460 -3.800 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.018 -4.254 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.282 -3.282 1.288 1.00 0.00 H new ATOM 406 N THR A 152 5.884 -5.636 -0.385 1.00 0.00 N ATOM 407 CA THR A 152 6.830 -6.624 -0.896 1.00 0.00 C ATOM 408 C THR A 152 7.777 -6.002 -1.923 1.00 0.00 C ATOM 409 O THR A 152 8.629 -6.689 -2.487 1.00 0.00 O ATOM 410 CB THR A 152 6.084 -7.820 -1.513 1.00 0.00 C ATOM 411 OG1 THR A 152 6.354 -7.931 -2.900 1.00 0.00 O ATOM 412 CG2 THR A 152 4.580 -7.746 -1.349 1.00 0.00 C ATOM 0 H THR A 152 5.271 -5.233 -1.094 1.00 0.00 H new ATOM 0 HA THR A 152 7.427 -6.980 -0.056 1.00 0.00 H new ATOM 0 HB THR A 152 6.453 -8.689 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 152 5.869 -8.700 -3.267 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.120 -8.622 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.331 -7.719 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.205 -6.844 -1.833 1.00 0.00 H new ATOM 420 N GLY A 153 7.623 -4.702 -2.166 1.00 0.00 N ATOM 421 CA GLY A 153 8.473 -4.024 -3.126 1.00 0.00 C ATOM 422 C GLY A 153 9.937 -4.051 -2.725 1.00 0.00 C ATOM 423 O GLY A 153 10.254 -4.119 -1.538 1.00 0.00 O ATOM 0 H GLY A 153 6.926 -4.109 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.358 -4.493 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.146 -2.989 -3.229 1.00 0.00 H new ATOM 427 N PRO A 154 10.859 -3.992 -3.705 1.00 0.00 N ATOM 428 CA PRO A 154 12.304 -4.015 -3.447 1.00 0.00 C ATOM 429 C PRO A 154 12.718 -3.104 -2.296 1.00 0.00 C ATOM 430 O PRO A 154 12.527 -1.890 -2.350 1.00 0.00 O ATOM 431 CB PRO A 154 12.895 -3.518 -4.765 1.00 0.00 C ATOM 432 CG PRO A 154 11.917 -3.960 -5.798 1.00 0.00 C ATOM 433 CD PRO A 154 10.561 -3.894 -5.147 1.00 0.00 C ATOM 0 HA PRO A 154 12.648 -5.005 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 154 13.011 -2.434 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.882 -3.944 -4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.959 -3.315 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.138 -4.973 -6.136 1.00 0.00 H new ATOM 0 HD2 PRO A 154 10.047 -2.963 -5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.918 -4.709 -5.479 1.00 0.00 H new ATOM 441 N GLY A 155 13.290 -3.701 -1.256 1.00 0.00 N ATOM 442 CA GLY A 155 13.724 -2.932 -0.104 1.00 0.00 C ATOM 443 C GLY A 155 12.655 -2.839 0.970 1.00 0.00 C ATOM 444 O GLY A 155 12.868 -2.217 2.011 1.00 0.00 O ATOM 0 H GLY A 155 13.461 -4.704 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.619 -3.389 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 155 14.000 -1.928 -0.425 1.00 0.00 H new ATOM 448 N GLY A 156 11.504 -3.456 0.719 1.00 0.00 N ATOM 449 CA GLY A 156 10.422 -3.425 1.683 1.00 0.00 C ATOM 450 C GLY A 156 9.421 -2.322 1.401 1.00 0.00 C ATOM 451 O GLY A 156 8.706 -1.889 2.304 1.00 0.00 O ATOM 0 H GLY A 156 11.303 -3.976 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.908 -4.386 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.835 -3.289 2.683 1.00 0.00 H new ATOM 455 N VAL A 157 9.370 -1.853 0.155 1.00 0.00 N ATOM 456 CA VAL A 157 8.447 -0.785 -0.199 1.00 0.00 C ATOM 457 C VAL A 157 7.087 -1.342 -0.596 1.00 0.00 C ATOM 458 O VAL A 157 6.988 -2.170 -1.501 1.00 0.00 O ATOM 459 CB VAL A 157 8.989 0.119 -1.346 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.480 -0.063 -1.552 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.254 -0.120 -2.660 1.00 0.00 C ATOM 0 H VAL A 157 9.949 -2.192 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 157 8.342 -0.169 0.694 1.00 0.00 H new ATOM 0 HB VAL A 157 8.805 1.147 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.817 0.585 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.008 0.196 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.688 -1.102 -1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.665 0.532 -3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.376 -1.160 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.194 0.097 -2.529 1.00 0.00 H new ATOM 471 N ILE A 158 6.033 -0.864 0.057 1.00 0.00 N ATOM 472 CA ILE A 158 4.696 -1.310 -0.285 1.00 0.00 C ATOM 473 C ILE A 158 4.387 -0.858 -1.702 1.00 0.00 C ATOM 474 O ILE A 158 4.283 0.336 -1.977 1.00 0.00 O ATOM 475 CB ILE A 158 3.627 -0.784 0.698 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.572 0.744 0.703 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.905 -1.302 2.099 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.242 1.286 1.177 1.00 0.00 C ATOM 0 H ILE A 158 6.080 -0.180 0.812 1.00 0.00 H new ATOM 0 HA ILE A 158 4.666 -2.397 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 158 2.657 -1.152 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.364 1.128 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.770 1.112 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.145 -0.925 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.882 -2.392 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.888 -0.961 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.266 2.376 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.449 0.929 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.052 0.945 2.195 1.00 0.00 H new ATOM 490 N THR A 159 4.291 -1.811 -2.611 1.00 0.00 N ATOM 491 CA THR A 159 4.051 -1.486 -4.005 1.00 0.00 C ATOM 492 C THR A 159 2.609 -1.079 -4.243 1.00 0.00 C ATOM 493 O THR A 159 1.708 -1.420 -3.477 1.00 0.00 O ATOM 494 CB THR A 159 4.437 -2.664 -4.897 1.00 0.00 C ATOM 495 OG1 THR A 159 3.691 -3.819 -4.560 1.00 0.00 O ATOM 496 CG2 THR A 159 5.907 -3.015 -4.798 1.00 0.00 C ATOM 0 H THR A 159 4.375 -2.808 -2.412 1.00 0.00 H new ATOM 0 HA THR A 159 4.677 -0.632 -4.263 1.00 0.00 H new ATOM 0 HB THR A 159 4.218 -2.347 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.179 -4.339 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.124 -3.859 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.507 -2.157 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.149 -3.282 -3.769 1.00 0.00 H new ATOM 504 N VAL A 160 2.405 -0.325 -5.310 1.00 0.00 N ATOM 505 CA VAL A 160 1.078 0.156 -5.655 1.00 0.00 C ATOM 506 C VAL A 160 0.088 -0.990 -5.765 1.00 0.00 C ATOM 507 O VAL A 160 -1.041 -0.896 -5.290 1.00 0.00 O ATOM 508 CB VAL A 160 1.065 0.952 -6.974 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.125 2.121 -6.824 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.456 1.435 -7.365 1.00 0.00 C ATOM 0 H VAL A 160 3.141 -0.033 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 160 0.782 0.823 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 160 0.724 0.294 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.106 2.694 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.878 1.755 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.466 2.760 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.398 1.991 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.850 2.083 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.116 0.577 -7.493 1.00 0.00 H new ATOM 520 N GLU A 161 0.527 -2.076 -6.379 1.00 0.00 N ATOM 521 CA GLU A 161 -0.315 -3.249 -6.540 1.00 0.00 C ATOM 522 C GLU A 161 -0.642 -3.844 -5.178 1.00 0.00 C ATOM 523 O GLU A 161 -1.685 -4.466 -4.989 1.00 0.00 O ATOM 524 CB GLU A 161 0.380 -4.290 -7.420 1.00 0.00 C ATOM 525 CG GLU A 161 -0.217 -4.405 -8.812 1.00 0.00 C ATOM 526 CD GLU A 161 -0.097 -3.119 -9.607 1.00 0.00 C ATOM 527 OE1 GLU A 161 -0.954 -2.229 -9.427 1.00 0.00 O ATOM 528 OE2 GLU A 161 0.854 -3.004 -10.408 1.00 0.00 O ATOM 0 H GLU A 161 1.463 -2.170 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.243 -2.950 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.436 -4.034 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.327 -5.262 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 161 0.282 -5.209 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.268 -4.681 -8.731 1.00 0.00 H new ATOM 535 N ASP A 162 0.257 -3.635 -4.225 1.00 0.00 N ATOM 536 CA ASP A 162 0.064 -4.142 -2.876 1.00 0.00 C ATOM 537 C ASP A 162 -1.069 -3.393 -2.188 1.00 0.00 C ATOM 538 O ASP A 162 -1.952 -3.998 -1.577 1.00 0.00 O ATOM 539 CB ASP A 162 1.351 -4.001 -2.061 1.00 0.00 C ATOM 540 CG ASP A 162 2.419 -4.994 -2.473 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.064 -6.056 -3.026 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.615 -4.708 -2.242 1.00 0.00 O ATOM 0 H ASP A 162 1.126 -3.118 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.196 -5.199 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.739 -2.989 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.123 -4.137 -1.004 1.00 0.00 H new ATOM 547 N VAL A 163 -1.036 -2.069 -2.292 1.00 0.00 N ATOM 548 CA VAL A 163 -2.062 -1.234 -1.673 1.00 0.00 C ATOM 549 C VAL A 163 -3.362 -1.274 -2.476 1.00 0.00 C ATOM 550 O VAL A 163 -4.449 -1.193 -1.907 1.00 0.00 O ATOM 551 CB VAL A 163 -1.637 0.247 -1.533 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.981 0.773 -0.146 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.162 0.467 -1.839 1.00 0.00 C ATOM 0 H VAL A 163 -0.315 -1.552 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.209 -1.651 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.200 0.809 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.675 1.816 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.056 0.697 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.459 0.183 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.080 1.524 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.444 -0.120 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.048 0.155 -2.862 1.00 0.00 H new ATOM 563 N LYS A 164 -3.249 -1.379 -3.799 1.00 0.00 N ATOM 564 CA LYS A 164 -4.425 -1.411 -4.660 1.00 0.00 C ATOM 565 C LYS A 164 -5.267 -2.649 -4.383 1.00 0.00 C ATOM 566 O LYS A 164 -6.484 -2.563 -4.217 1.00 0.00 O ATOM 567 CB LYS A 164 -4.007 -1.348 -6.137 1.00 0.00 C ATOM 568 CG LYS A 164 -4.197 -2.649 -6.898 1.00 0.00 C ATOM 569 CD LYS A 164 -3.789 -2.509 -8.356 1.00 0.00 C ATOM 570 CE LYS A 164 -4.999 -2.340 -9.261 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.970 -3.458 -9.103 1.00 0.00 N ATOM 0 H LYS A 164 -2.359 -1.443 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.038 -0.537 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.581 -0.565 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -2.958 -1.058 -6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.607 -3.436 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.241 -2.956 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.127 -1.651 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.224 -3.389 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -5.493 -1.395 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -4.671 -2.287 -10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -6.460 -3.622 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -5.463 -4.321 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -6.666 -3.212 -8.370 1.00 0.00 H new