USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=4 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 168:sc= -5.04 (180deg=-5.84!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -0.702 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 55:sc= 1.07 USER MOD Single : A 159 THR OG1 : rot -83:sc= -0.0986 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.473 0.150 4.179 1.00 0.00 N ATOM 77 CA ALA A 130 9.512 1.066 3.051 1.00 0.00 C ATOM 78 C ALA A 130 8.130 1.220 2.430 1.00 0.00 C ATOM 79 O ALA A 130 7.312 0.301 2.472 1.00 0.00 O ATOM 80 CB ALA A 130 10.509 0.586 2.007 1.00 0.00 C ATOM 0 HA ALA A 130 9.834 2.041 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.524 1.284 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.503 0.530 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.215 -0.401 1.650 1.00 0.00 H new ATOM 86 N ALA A 131 7.880 2.384 1.850 1.00 0.00 N ATOM 87 CA ALA A 131 6.602 2.661 1.209 1.00 0.00 C ATOM 88 C ALA A 131 6.776 3.632 0.046 1.00 0.00 C ATOM 89 O ALA A 131 6.785 4.847 0.240 1.00 0.00 O ATOM 90 CB ALA A 131 5.612 3.217 2.221 1.00 0.00 C ATOM 0 H ALA A 131 8.547 3.155 1.810 1.00 0.00 H new ATOM 0 HA ALA A 131 6.209 1.724 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.662 3.419 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.459 2.489 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.005 4.142 2.644 1.00 0.00 H new ATOM 96 N MET A 132 6.922 3.091 -1.165 1.00 0.00 N ATOM 97 CA MET A 132 7.102 3.925 -2.355 1.00 0.00 C ATOM 98 C MET A 132 6.085 5.070 -2.381 1.00 0.00 C ATOM 99 O MET A 132 5.124 5.074 -1.613 1.00 0.00 O ATOM 100 CB MET A 132 6.995 3.077 -3.628 1.00 0.00 C ATOM 101 CG MET A 132 5.713 2.266 -3.730 1.00 0.00 C ATOM 102 SD MET A 132 5.444 1.603 -5.385 1.00 0.00 S ATOM 103 CE MET A 132 6.660 0.289 -5.425 1.00 0.00 C ATOM 0 H MET A 132 6.919 2.087 -1.347 1.00 0.00 H new ATOM 0 HA MET A 132 8.100 4.362 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.067 3.733 -4.495 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.846 2.397 -3.671 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.749 1.444 -3.015 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.867 2.894 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.478 -0.349 -6.290 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.659 0.720 -5.495 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.584 -0.305 -4.514 1.00 0.00 H new ATOM 113 N PRO A 133 6.295 6.070 -3.258 1.00 0.00 N ATOM 114 CA PRO A 133 5.406 7.235 -3.366 1.00 0.00 C ATOM 115 C PRO A 133 4.015 6.871 -3.875 1.00 0.00 C ATOM 116 O PRO A 133 3.008 7.302 -3.313 1.00 0.00 O ATOM 117 CB PRO A 133 6.117 8.148 -4.376 1.00 0.00 C ATOM 118 CG PRO A 133 7.514 7.629 -4.464 1.00 0.00 C ATOM 119 CD PRO A 133 7.420 6.156 -4.198 1.00 0.00 C ATOM 0 HA PRO A 133 5.241 7.698 -2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.625 8.117 -5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.104 9.186 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 133 7.942 7.822 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.159 8.118 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.230 5.591 -5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.340 5.763 -3.766 1.00 0.00 H new ATOM 127 N ALA A 134 3.967 6.086 -4.942 1.00 0.00 N ATOM 128 CA ALA A 134 2.698 5.672 -5.532 1.00 0.00 C ATOM 129 C ALA A 134 1.788 5.016 -4.496 1.00 0.00 C ATOM 130 O ALA A 134 0.623 5.393 -4.348 1.00 0.00 O ATOM 131 CB ALA A 134 2.955 4.722 -6.693 1.00 0.00 C ATOM 0 H ALA A 134 4.792 5.722 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 134 2.187 6.561 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.004 4.416 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.556 5.226 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.488 3.843 -6.332 1.00 0.00 H new ATOM 137 N ALA A 135 2.329 4.039 -3.780 1.00 0.00 N ATOM 138 CA ALA A 135 1.573 3.328 -2.757 1.00 0.00 C ATOM 139 C ALA A 135 1.291 4.229 -1.564 1.00 0.00 C ATOM 140 O ALA A 135 0.244 4.127 -0.925 1.00 0.00 O ATOM 141 CB ALA A 135 2.326 2.083 -2.320 1.00 0.00 C ATOM 0 H ALA A 135 3.292 3.720 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 135 0.616 3.027 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.752 1.560 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.471 1.426 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.296 2.369 -1.913 1.00 0.00 H new ATOM 147 N ARG A 136 2.232 5.119 -1.276 1.00 0.00 N ATOM 148 CA ARG A 136 2.093 6.052 -0.167 1.00 0.00 C ATOM 149 C ARG A 136 0.991 7.061 -0.457 1.00 0.00 C ATOM 150 O ARG A 136 0.124 7.319 0.380 1.00 0.00 O ATOM 151 CB ARG A 136 3.414 6.781 0.062 1.00 0.00 C ATOM 152 CG ARG A 136 4.312 6.106 1.082 1.00 0.00 C ATOM 153 CD ARG A 136 3.930 6.489 2.502 1.00 0.00 C ATOM 154 NE ARG A 136 3.961 7.935 2.707 1.00 0.00 N ATOM 155 CZ ARG A 136 3.418 8.548 3.756 1.00 0.00 C ATOM 156 NH1 ARG A 136 2.799 7.844 4.698 1.00 0.00 N ATOM 157 NH2 ARG A 136 3.492 9.867 3.865 1.00 0.00 N ATOM 0 H ARG A 136 3.103 5.214 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 136 1.828 5.493 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.947 6.856 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.205 7.799 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 136 4.247 5.024 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.349 6.385 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.931 6.113 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.613 6.009 3.203 1.00 0.00 H new ATOM 0 HE ARG A 136 4.427 8.509 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.738 6.829 4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.385 8.319 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.965 10.413 3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.076 10.336 4.669 1.00 0.00 H new ATOM 171 N ARG A 137 1.036 7.628 -1.656 1.00 0.00 N ATOM 172 CA ARG A 137 0.052 8.614 -2.081 1.00 0.00 C ATOM 173 C ARG A 137 -1.354 8.034 -2.042 1.00 0.00 C ATOM 174 O ARG A 137 -2.244 8.577 -1.389 1.00 0.00 O ATOM 175 CB ARG A 137 0.364 9.097 -3.496 1.00 0.00 C ATOM 176 CG ARG A 137 -0.564 10.200 -3.980 1.00 0.00 C ATOM 177 CD ARG A 137 -0.734 10.165 -5.491 1.00 0.00 C ATOM 178 NE ARG A 137 -0.139 11.333 -6.136 1.00 0.00 N ATOM 179 CZ ARG A 137 -0.116 11.521 -7.454 1.00 0.00 C ATOM 180 NH1 ARG A 137 -0.653 10.621 -8.269 1.00 0.00 N ATOM 181 NH2 ARG A 137 0.444 12.613 -7.957 1.00 0.00 N ATOM 0 H ARG A 137 1.749 7.420 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 137 0.102 9.456 -1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.392 9.458 -3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.300 8.252 -4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.537 10.094 -3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.166 11.169 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -0.275 9.259 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -1.795 10.117 -5.735 1.00 0.00 H new ATOM 0 HE ARG A 137 0.284 12.046 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -1.086 9.780 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.633 10.770 -9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 137 0.856 13.308 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 137 0.462 12.758 -8.966 1.00 0.00 H new ATOM 195 N LEU A 138 -1.547 6.925 -2.749 1.00 0.00 N ATOM 196 CA LEU A 138 -2.839 6.272 -2.798 1.00 0.00 C ATOM 197 C LEU A 138 -3.270 5.828 -1.407 1.00 0.00 C ATOM 198 O LEU A 138 -4.434 5.951 -1.044 1.00 0.00 O ATOM 199 CB LEU A 138 -2.771 5.076 -3.743 1.00 0.00 C ATOM 200 CG LEU A 138 -1.893 3.930 -3.266 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.655 3.042 -2.300 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.397 3.126 -4.453 1.00 0.00 C ATOM 0 H LEU A 138 -0.820 6.463 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.580 6.980 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.781 4.699 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.403 5.417 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.032 4.343 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.011 2.227 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.970 3.629 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.533 2.631 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.769 2.307 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.249 2.721 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.816 3.771 -5.112 1.00 0.00 H new ATOM 214 N ALA A 139 -2.323 5.309 -0.631 1.00 0.00 N ATOM 215 CA ALA A 139 -2.614 4.845 0.722 1.00 0.00 C ATOM 216 C ALA A 139 -3.235 5.960 1.557 1.00 0.00 C ATOM 217 O ALA A 139 -4.179 5.732 2.313 1.00 0.00 O ATOM 218 CB ALA A 139 -1.348 4.325 1.386 1.00 0.00 C ATOM 0 H ALA A 139 -1.349 5.199 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.334 4.029 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.580 3.982 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.947 3.495 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.609 5.124 1.436 1.00 0.00 H new ATOM 224 N LYS A 140 -2.698 7.167 1.412 1.00 0.00 N ATOM 225 CA LYS A 140 -3.199 8.321 2.150 1.00 0.00 C ATOM 226 C LYS A 140 -4.513 8.821 1.555 1.00 0.00 C ATOM 227 O LYS A 140 -5.357 9.368 2.264 1.00 0.00 O ATOM 228 CB LYS A 140 -2.160 9.444 2.145 1.00 0.00 C ATOM 229 CG LYS A 140 -1.352 9.530 3.430 1.00 0.00 C ATOM 230 CD LYS A 140 -1.191 10.969 3.895 1.00 0.00 C ATOM 231 CE LYS A 140 -1.204 11.068 5.412 1.00 0.00 C ATOM 232 NZ LYS A 140 -0.862 12.440 5.881 1.00 0.00 N ATOM 0 H LYS A 140 -1.916 7.371 0.790 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.384 8.012 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.479 9.294 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.666 10.395 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.844 8.948 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -0.369 9.086 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.255 11.374 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.995 11.578 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -2.190 10.792 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -0.494 10.354 5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -0.882 12.466 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 0.089 12.694 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -1.555 13.118 5.504 1.00 0.00 H new ATOM 246 N GLU A 141 -4.680 8.632 0.249 1.00 0.00 N ATOM 247 CA GLU A 141 -5.893 9.068 -0.437 1.00 0.00 C ATOM 248 C GLU A 141 -7.033 8.073 -0.222 1.00 0.00 C ATOM 249 O GLU A 141 -8.207 8.439 -0.272 1.00 0.00 O ATOM 250 CB GLU A 141 -5.621 9.240 -1.933 1.00 0.00 C ATOM 251 CG GLU A 141 -6.831 9.708 -2.724 1.00 0.00 C ATOM 252 CD GLU A 141 -6.759 11.178 -3.086 1.00 0.00 C ATOM 253 OE1 GLU A 141 -7.171 12.015 -2.255 1.00 0.00 O ATOM 254 OE2 GLU A 141 -6.290 11.494 -4.200 1.00 0.00 O ATOM 0 H GLU A 141 -3.992 8.181 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.194 10.027 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.811 9.958 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.276 8.290 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.915 9.117 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.734 9.525 -2.141 1.00 0.00 H new ATOM 261 N LEU A 142 -6.677 6.814 0.012 1.00 0.00 N ATOM 262 CA LEU A 142 -7.658 5.762 0.229 1.00 0.00 C ATOM 263 C LEU A 142 -8.019 5.652 1.707 1.00 0.00 C ATOM 264 O LEU A 142 -9.132 5.263 2.056 1.00 0.00 O ATOM 265 CB LEU A 142 -7.106 4.431 -0.279 1.00 0.00 C ATOM 266 CG LEU A 142 -7.128 4.261 -1.801 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.819 3.667 -2.296 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.303 3.393 -2.221 1.00 0.00 C ATOM 0 H LEU A 142 -5.708 6.498 0.056 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.564 6.012 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -6.079 4.324 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.680 3.621 0.171 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.246 5.245 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.857 3.555 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.995 4.328 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.665 2.691 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.304 3.282 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.215 2.411 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.234 3.862 -1.903 1.00 0.00 H new ATOM 280 N GLY A 143 -7.071 6.006 2.569 1.00 0.00 N ATOM 281 CA GLY A 143 -7.312 5.949 3.998 1.00 0.00 C ATOM 282 C GLY A 143 -6.897 4.630 4.623 1.00 0.00 C ATOM 283 O GLY A 143 -7.528 4.167 5.574 1.00 0.00 O ATOM 0 H GLY A 143 -6.141 6.331 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.770 6.760 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.372 6.116 4.188 1.00 0.00 H new ATOM 287 N ILE A 144 -5.833 4.024 4.101 1.00 0.00 N ATOM 288 CA ILE A 144 -5.348 2.757 4.637 1.00 0.00 C ATOM 289 C ILE A 144 -3.952 2.905 5.231 1.00 0.00 C ATOM 290 O ILE A 144 -3.138 3.689 4.743 1.00 0.00 O ATOM 291 CB ILE A 144 -5.318 1.642 3.568 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.130 0.283 4.254 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.214 1.900 2.546 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.710 -0.836 3.325 1.00 0.00 C ATOM 0 H ILE A 144 -5.295 4.387 3.314 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.052 2.472 5.419 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.266 1.637 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.381 0.387 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.065 0.003 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.212 1.102 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.392 2.855 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.249 1.927 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.600 -1.759 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -5.468 -0.973 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.758 -0.583 2.857 1.00 0.00 H new ATOM 306 N ASP A 145 -3.681 2.137 6.279 1.00 0.00 N ATOM 307 CA ASP A 145 -2.381 2.171 6.931 1.00 0.00 C ATOM 308 C ASP A 145 -1.376 1.342 6.141 1.00 0.00 C ATOM 309 O ASP A 145 -1.364 0.115 6.235 1.00 0.00 O ATOM 310 CB ASP A 145 -2.490 1.628 8.357 1.00 0.00 C ATOM 311 CG ASP A 145 -1.758 2.492 9.365 1.00 0.00 C ATOM 312 OD1 ASP A 145 -0.650 2.970 9.043 1.00 0.00 O ATOM 313 OD2 ASP A 145 -2.293 2.691 10.476 1.00 0.00 O ATOM 0 H ASP A 145 -4.345 1.484 6.694 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.039 3.205 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.541 1.560 8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.086 0.616 8.389 1.00 0.00 H new ATOM 318 N ALA A 146 -0.534 2.009 5.358 1.00 0.00 N ATOM 319 CA ALA A 146 0.467 1.315 4.556 1.00 0.00 C ATOM 320 C ALA A 146 1.243 0.315 5.404 1.00 0.00 C ATOM 321 O ALA A 146 1.648 -0.743 4.921 1.00 0.00 O ATOM 322 CB ALA A 146 1.412 2.308 3.903 1.00 0.00 C ATOM 0 H ALA A 146 -0.525 3.024 5.262 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.050 0.765 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 146 2.151 1.770 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.845 2.979 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.919 2.889 4.674 1.00 0.00 H new ATOM 328 N SER A 147 1.433 0.650 6.677 1.00 0.00 N ATOM 329 CA SER A 147 2.147 -0.228 7.594 1.00 0.00 C ATOM 330 C SER A 147 1.390 -1.538 7.754 1.00 0.00 C ATOM 331 O SER A 147 1.991 -2.606 7.873 1.00 0.00 O ATOM 332 CB SER A 147 2.331 0.447 8.953 1.00 0.00 C ATOM 333 OG SER A 147 1.320 1.414 9.183 1.00 0.00 O ATOM 0 H SER A 147 1.103 1.520 7.094 1.00 0.00 H new ATOM 0 HA SER A 147 3.133 -0.436 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.306 -0.304 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.311 0.923 8.997 1.00 0.00 H new ATOM 0 HG SER A 147 1.459 1.830 10.059 1.00 0.00 H new ATOM 339 N LYS A 148 0.063 -1.452 7.725 1.00 0.00 N ATOM 340 CA LYS A 148 -0.776 -2.632 7.835 1.00 0.00 C ATOM 341 C LYS A 148 -0.699 -3.429 6.533 1.00 0.00 C ATOM 342 O LYS A 148 -0.984 -4.627 6.500 1.00 0.00 O ATOM 343 CB LYS A 148 -2.219 -2.222 8.168 1.00 0.00 C ATOM 344 CG LYS A 148 -3.143 -2.131 6.967 1.00 0.00 C ATOM 345 CD LYS A 148 -3.687 -3.497 6.606 1.00 0.00 C ATOM 346 CE LYS A 148 -5.118 -3.675 7.085 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.368 -5.054 7.591 1.00 0.00 N ATOM 0 H LYS A 148 -0.450 -0.576 7.626 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.421 -3.268 8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.633 -2.941 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.201 -1.255 8.670 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.967 -1.452 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.603 -1.713 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.645 -3.632 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -3.056 -4.269 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.328 -2.955 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.804 -3.459 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -6.355 -5.134 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -5.192 -5.740 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.731 -5.252 8.389 1.00 0.00 H new ATOM 361 N VAL A 149 -0.285 -2.745 5.468 1.00 0.00 N ATOM 362 CA VAL A 149 -0.134 -3.357 4.159 1.00 0.00 C ATOM 363 C VAL A 149 1.315 -3.790 3.945 1.00 0.00 C ATOM 364 O VAL A 149 2.121 -3.036 3.402 1.00 0.00 O ATOM 365 CB VAL A 149 -0.550 -2.367 3.050 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.180 -2.887 1.669 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.038 -2.079 3.137 1.00 0.00 C ATOM 0 H VAL A 149 -0.047 -1.754 5.493 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.781 -4.233 4.111 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.002 -1.437 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.488 -2.164 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.899 -3.034 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.685 -3.836 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.320 -1.380 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.596 -3.007 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.268 -1.643 4.109 1.00 0.00 H new ATOM 377 N LYS A 150 1.643 -5.001 4.387 1.00 0.00 N ATOM 378 CA LYS A 150 2.999 -5.524 4.255 1.00 0.00 C ATOM 379 C LYS A 150 3.511 -5.389 2.824 1.00 0.00 C ATOM 380 O LYS A 150 3.070 -6.100 1.921 1.00 0.00 O ATOM 381 CB LYS A 150 3.051 -6.984 4.700 1.00 0.00 C ATOM 382 CG LYS A 150 2.073 -7.888 3.970 1.00 0.00 C ATOM 383 CD LYS A 150 2.255 -9.337 4.387 1.00 0.00 C ATOM 384 CE LYS A 150 1.083 -9.834 5.219 1.00 0.00 C ATOM 385 NZ LYS A 150 0.160 -10.694 4.428 1.00 0.00 N ATOM 0 H LYS A 150 0.988 -5.638 4.840 1.00 0.00 H new ATOM 0 HA LYS A 150 3.649 -4.933 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.062 -7.363 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.847 -7.034 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.052 -7.571 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.220 -7.794 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 150 2.362 -9.961 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.177 -9.438 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 150 1.458 -10.396 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 150 0.533 -8.981 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -0.624 -11.011 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -0.219 -10.151 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 0.678 -11.522 4.071 1.00 0.00 H new ATOM 399 N GLY A 151 4.438 -4.459 2.628 1.00 0.00 N ATOM 400 CA GLY A 151 4.993 -4.227 1.310 1.00 0.00 C ATOM 401 C GLY A 151 5.994 -5.284 0.887 1.00 0.00 C ATOM 402 O GLY A 151 6.802 -5.743 1.695 1.00 0.00 O ATOM 0 H GLY A 151 4.816 -3.860 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.182 -4.193 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.477 -3.251 1.294 1.00 0.00 H new ATOM 406 N THR A 152 5.942 -5.661 -0.386 1.00 0.00 N ATOM 407 CA THR A 152 6.855 -6.664 -0.928 1.00 0.00 C ATOM 408 C THR A 152 7.717 -6.069 -2.045 1.00 0.00 C ATOM 409 O THR A 152 8.366 -6.798 -2.795 1.00 0.00 O ATOM 410 CB THR A 152 6.072 -7.885 -1.445 1.00 0.00 C ATOM 411 OG1 THR A 152 6.328 -8.118 -2.819 1.00 0.00 O ATOM 412 CG2 THR A 152 4.570 -7.761 -1.281 1.00 0.00 C ATOM 0 H THR A 152 5.277 -5.287 -1.063 1.00 0.00 H new ATOM 0 HA THR A 152 7.515 -6.991 -0.125 1.00 0.00 H new ATOM 0 HB THR A 152 6.424 -8.714 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.294 -8.201 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.087 -8.658 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.328 -7.645 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.214 -6.891 -1.833 1.00 0.00 H new ATOM 420 N GLY A 153 7.719 -4.742 -2.150 1.00 0.00 N ATOM 421 CA GLY A 153 8.501 -4.081 -3.178 1.00 0.00 C ATOM 422 C GLY A 153 9.985 -4.040 -2.856 1.00 0.00 C ATOM 423 O GLY A 153 10.370 -4.109 -1.688 1.00 0.00 O ATOM 0 H GLY A 153 7.193 -4.115 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.354 -4.597 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.134 -3.063 -3.308 1.00 0.00 H new ATOM 427 N PRO A 154 10.846 -3.920 -3.884 1.00 0.00 N ATOM 428 CA PRO A 154 12.303 -3.870 -3.708 1.00 0.00 C ATOM 429 C PRO A 154 12.731 -2.957 -2.566 1.00 0.00 C ATOM 430 O PRO A 154 12.672 -1.733 -2.679 1.00 0.00 O ATOM 431 CB PRO A 154 12.791 -3.321 -5.047 1.00 0.00 C ATOM 432 CG PRO A 154 11.781 -3.795 -6.033 1.00 0.00 C ATOM 433 CD PRO A 154 10.462 -3.816 -5.305 1.00 0.00 C ATOM 0 HA PRO A 154 12.716 -4.845 -3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.851 -2.233 -5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.787 -3.692 -5.289 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.739 -3.131 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.036 -4.787 -6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.884 -2.912 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.847 -4.660 -5.616 1.00 0.00 H new ATOM 441 N GLY A 155 13.162 -3.563 -1.466 1.00 0.00 N ATOM 442 CA GLY A 155 13.593 -2.793 -0.316 1.00 0.00 C ATOM 443 C GLY A 155 12.505 -2.674 0.735 1.00 0.00 C ATOM 444 O GLY A 155 12.549 -1.787 1.586 1.00 0.00 O ATOM 0 H GLY A 155 13.220 -4.575 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.472 -3.263 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.893 -1.797 -0.640 1.00 0.00 H new ATOM 448 N GLY A 156 11.525 -3.571 0.671 1.00 0.00 N ATOM 449 CA GLY A 156 10.437 -3.546 1.627 1.00 0.00 C ATOM 450 C GLY A 156 9.450 -2.428 1.359 1.00 0.00 C ATOM 451 O GLY A 156 8.729 -2.005 2.262 1.00 0.00 O ATOM 0 H GLY A 156 11.467 -4.313 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.913 -4.502 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.844 -3.433 2.632 1.00 0.00 H new ATOM 455 N VAL A 157 9.413 -1.937 0.121 1.00 0.00 N ATOM 456 CA VAL A 157 8.502 -0.857 -0.224 1.00 0.00 C ATOM 457 C VAL A 157 7.131 -1.399 -0.604 1.00 0.00 C ATOM 458 O VAL A 157 7.011 -2.222 -1.511 1.00 0.00 O ATOM 459 CB VAL A 157 9.044 0.038 -1.379 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.529 -0.166 -1.601 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.290 -0.191 -2.685 1.00 0.00 C ATOM 0 H VAL A 157 9.997 -2.267 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 157 8.415 -0.236 0.668 1.00 0.00 H new ATOM 0 HB VAL A 157 8.879 1.069 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.867 0.476 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.071 0.087 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.719 -1.208 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.702 0.454 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.393 -1.233 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.235 0.042 -2.542 1.00 0.00 H new ATOM 471 N ILE A 158 6.091 -0.920 0.072 1.00 0.00 N ATOM 472 CA ILE A 158 4.746 -1.357 -0.249 1.00 0.00 C ATOM 473 C ILE A 158 4.416 -0.907 -1.662 1.00 0.00 C ATOM 474 O ILE A 158 4.325 0.285 -1.943 1.00 0.00 O ATOM 475 CB ILE A 158 3.697 -0.829 0.757 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.533 0.688 0.660 1.00 0.00 C ATOM 477 CG2 ILE A 158 4.088 -1.220 2.175 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.248 1.176 1.285 1.00 0.00 C ATOM 0 H ILE A 158 6.155 -0.242 0.831 1.00 0.00 H new ATOM 0 HA ILE A 158 4.709 -2.444 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 158 2.739 -1.285 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.378 1.173 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.559 0.986 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.342 -0.843 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 158 4.141 -2.306 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 158 5.061 -0.791 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.184 2.260 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.399 0.716 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.231 0.905 2.341 1.00 0.00 H new ATOM 490 N THR A 159 4.294 -1.864 -2.565 1.00 0.00 N ATOM 491 CA THR A 159 4.036 -1.545 -3.958 1.00 0.00 C ATOM 492 C THR A 159 2.593 -1.125 -4.181 1.00 0.00 C ATOM 493 O THR A 159 1.698 -1.453 -3.403 1.00 0.00 O ATOM 494 CB THR A 159 4.406 -2.727 -4.851 1.00 0.00 C ATOM 495 OG1 THR A 159 3.723 -3.902 -4.448 1.00 0.00 O ATOM 496 CG2 THR A 159 5.893 -3.023 -4.841 1.00 0.00 C ATOM 0 H THR A 159 4.369 -2.861 -2.361 1.00 0.00 H new ATOM 0 HA THR A 159 4.663 -0.695 -4.228 1.00 0.00 H new ATOM 0 HB THR A 159 4.110 -2.439 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.207 -4.324 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.099 -3.872 -5.492 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.440 -2.150 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.210 -3.260 -3.825 1.00 0.00 H new ATOM 504 N VAL A 160 2.384 -0.377 -5.251 1.00 0.00 N ATOM 505 CA VAL A 160 1.058 0.115 -5.590 1.00 0.00 C ATOM 506 C VAL A 160 0.063 -1.030 -5.689 1.00 0.00 C ATOM 507 O VAL A 160 -1.059 -0.937 -5.195 1.00 0.00 O ATOM 508 CB VAL A 160 1.047 0.905 -6.915 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.141 2.102 -6.767 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.446 1.350 -7.323 1.00 0.00 C ATOM 0 H VAL A 160 3.117 -0.096 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 160 0.767 0.790 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 160 0.676 0.250 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.128 2.666 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.869 1.767 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.509 2.739 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.393 1.903 -8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.865 1.991 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.083 0.475 -7.453 1.00 0.00 H new ATOM 520 N GLU A 161 0.492 -2.111 -6.316 1.00 0.00 N ATOM 521 CA GLU A 161 -0.347 -3.288 -6.471 1.00 0.00 C ATOM 522 C GLU A 161 -0.672 -3.880 -5.107 1.00 0.00 C ATOM 523 O GLU A 161 -1.713 -4.513 -4.921 1.00 0.00 O ATOM 524 CB GLU A 161 0.351 -4.332 -7.344 1.00 0.00 C ATOM 525 CG GLU A 161 0.204 -4.075 -8.834 1.00 0.00 C ATOM 526 CD GLU A 161 -0.254 -5.304 -9.596 1.00 0.00 C ATOM 527 OE1 GLU A 161 -1.477 -5.550 -9.645 1.00 0.00 O ATOM 528 OE2 GLU A 161 0.611 -6.017 -10.145 1.00 0.00 O ATOM 0 H GLU A 161 1.421 -2.199 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.275 -2.992 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.411 -4.355 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.054 -5.317 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.511 -3.268 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.159 -3.738 -9.237 1.00 0.00 H new ATOM 535 N ASP A 162 0.227 -3.661 -4.154 1.00 0.00 N ATOM 536 CA ASP A 162 0.045 -4.163 -2.799 1.00 0.00 C ATOM 537 C ASP A 162 -1.084 -3.417 -2.101 1.00 0.00 C ATOM 538 O ASP A 162 -1.979 -4.026 -1.512 1.00 0.00 O ATOM 539 CB ASP A 162 1.336 -4.010 -1.991 1.00 0.00 C ATOM 540 CG ASP A 162 2.381 -5.047 -2.346 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.002 -6.136 -2.825 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.584 -4.766 -2.145 1.00 0.00 O ATOM 0 H ASP A 162 1.091 -3.138 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.212 -5.220 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.748 -3.015 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.104 -4.084 -0.928 1.00 0.00 H new ATOM 547 N VAL A 163 -1.033 -2.092 -2.168 1.00 0.00 N ATOM 548 CA VAL A 163 -2.058 -1.267 -1.535 1.00 0.00 C ATOM 549 C VAL A 163 -3.373 -1.348 -2.303 1.00 0.00 C ATOM 550 O VAL A 163 -4.446 -1.408 -1.707 1.00 0.00 O ATOM 551 CB VAL A 163 -1.656 0.224 -1.422 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.981 0.763 -0.036 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.190 0.458 -1.756 1.00 0.00 C ATOM 0 H VAL A 163 -0.301 -1.569 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.174 -1.669 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.243 0.769 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.691 1.812 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.051 0.671 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.433 0.192 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.040 1.519 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.435 -0.111 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.007 0.134 -2.778 1.00 0.00 H new ATOM 563 N LYS A 164 -3.284 -1.339 -3.632 1.00 0.00 N ATOM 564 CA LYS A 164 -4.470 -1.403 -4.476 1.00 0.00 C ATOM 565 C LYS A 164 -5.273 -2.670 -4.202 1.00 0.00 C ATOM 566 O LYS A 164 -6.484 -2.616 -3.988 1.00 0.00 O ATOM 567 CB LYS A 164 -4.074 -1.308 -5.957 1.00 0.00 C ATOM 568 CG LYS A 164 -4.193 -2.612 -6.725 1.00 0.00 C ATOM 569 CD LYS A 164 -3.846 -2.431 -8.194 1.00 0.00 C ATOM 570 CE LYS A 164 -5.094 -2.398 -9.062 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.553 -3.766 -9.427 1.00 0.00 N ATOM 0 H LYS A 164 -2.403 -1.288 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.109 -0.553 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.700 -0.558 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.045 -0.955 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.531 -3.357 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.209 -2.996 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.286 -1.505 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.197 -3.245 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -5.891 -1.877 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -4.890 -1.829 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -6.406 -3.700 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -4.802 -4.255 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -5.772 -4.301 -8.562 1.00 0.00 H new