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= -0.83 (180deg=-0.915) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 92:sc= 1.31 USER MOD Single : A 148 LYS NZ :NH3+ -174:sc= -0.288 (180deg=-0.348) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 52:sc= 1.11 USER MOD Single : A 159 THR OG1 : rot -92:sc= -0.503 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.399 0.132 4.190 1.00 0.00 N ATOM 77 CA ALA A 130 9.463 1.039 3.056 1.00 0.00 C ATOM 78 C ALA A 130 8.088 1.227 2.431 1.00 0.00 C ATOM 79 O ALA A 130 7.234 0.341 2.499 1.00 0.00 O ATOM 80 CB ALA A 130 10.448 0.529 2.014 1.00 0.00 C ATOM 0 HA ALA A 130 9.810 2.006 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.480 1.223 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.440 0.451 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.130 -0.452 1.662 1.00 0.00 H new ATOM 86 N ALA A 131 7.885 2.379 1.812 1.00 0.00 N ATOM 87 CA ALA A 131 6.620 2.686 1.159 1.00 0.00 C ATOM 88 C ALA A 131 6.831 3.643 -0.006 1.00 0.00 C ATOM 89 O ALA A 131 6.887 4.858 0.183 1.00 0.00 O ATOM 90 CB ALA A 131 5.639 3.275 2.160 1.00 0.00 C ATOM 0 H ALA A 131 8.582 3.120 1.747 1.00 0.00 H new ATOM 0 HA ALA A 131 6.203 1.759 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.698 3.500 1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.461 2.557 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.054 4.191 2.580 1.00 0.00 H new ATOM 96 N MET A 132 6.953 3.096 -1.216 1.00 0.00 N ATOM 97 CA MET A 132 7.160 3.922 -2.405 1.00 0.00 C ATOM 98 C MET A 132 6.176 5.096 -2.429 1.00 0.00 C ATOM 99 O MET A 132 5.212 5.118 -1.665 1.00 0.00 O ATOM 100 CB MET A 132 7.035 3.081 -3.681 1.00 0.00 C ATOM 101 CG MET A 132 5.727 2.313 -3.796 1.00 0.00 C ATOM 102 SD MET A 132 5.428 1.700 -5.466 1.00 0.00 S ATOM 103 CE MET A 132 7.051 1.083 -5.902 1.00 0.00 C ATOM 0 H MET A 132 6.912 2.093 -1.398 1.00 0.00 H new ATOM 0 HA MET A 132 8.171 4.327 -2.364 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.136 3.736 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.863 2.373 -3.719 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.741 1.473 -3.102 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.902 2.960 -3.497 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.020 0.655 -6.904 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.770 1.902 -5.879 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.352 0.316 -5.189 1.00 0.00 H new ATOM 113 N PRO A 133 6.417 6.097 -3.293 1.00 0.00 N ATOM 114 CA PRO A 133 5.559 7.286 -3.394 1.00 0.00 C ATOM 115 C PRO A 133 4.162 6.967 -3.910 1.00 0.00 C ATOM 116 O PRO A 133 3.163 7.408 -3.340 1.00 0.00 O ATOM 117 CB PRO A 133 6.298 8.191 -4.392 1.00 0.00 C ATOM 118 CG PRO A 133 7.680 7.635 -4.482 1.00 0.00 C ATOM 119 CD PRO A 133 7.548 6.163 -4.228 1.00 0.00 C ATOM 0 HA PRO A 133 5.402 7.742 -2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.808 8.185 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.312 9.225 -4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.114 7.825 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.337 8.101 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.348 5.610 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.456 5.744 -3.795 1.00 0.00 H new ATOM 127 N ALA A 134 4.097 6.205 -4.992 1.00 0.00 N ATOM 128 CA ALA A 134 2.821 5.832 -5.590 1.00 0.00 C ATOM 129 C ALA A 134 1.896 5.179 -4.566 1.00 0.00 C ATOM 130 O ALA A 134 0.736 5.568 -4.423 1.00 0.00 O ATOM 131 CB ALA A 134 3.058 4.900 -6.769 1.00 0.00 C ATOM 0 H ALA A 134 4.914 5.832 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 134 2.330 6.738 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.101 4.624 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.671 5.405 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.571 4.002 -6.425 1.00 0.00 H new ATOM 137 N ALA A 135 2.418 4.184 -3.858 1.00 0.00 N ATOM 138 CA ALA A 135 1.644 3.471 -2.850 1.00 0.00 C ATOM 139 C ALA A 135 1.350 4.361 -1.648 1.00 0.00 C ATOM 140 O ALA A 135 0.286 4.268 -1.038 1.00 0.00 O ATOM 141 CB ALA A 135 2.380 2.215 -2.415 1.00 0.00 C ATOM 0 H ALA A 135 3.377 3.852 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 135 0.690 3.185 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.792 1.691 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.529 1.564 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.348 2.488 -1.994 1.00 0.00 H new ATOM 147 N ARG A 136 2.300 5.226 -1.320 1.00 0.00 N ATOM 148 CA ARG A 136 2.147 6.141 -0.197 1.00 0.00 C ATOM 149 C ARG A 136 1.059 7.164 -0.484 1.00 0.00 C ATOM 150 O ARG A 136 0.169 7.396 0.334 1.00 0.00 O ATOM 151 CB ARG A 136 3.468 6.857 0.073 1.00 0.00 C ATOM 152 CG ARG A 136 4.265 6.246 1.209 1.00 0.00 C ATOM 153 CD ARG A 136 5.180 7.268 1.866 1.00 0.00 C ATOM 154 NE ARG A 136 6.581 6.850 1.833 1.00 0.00 N ATOM 155 CZ ARG A 136 7.587 7.598 2.279 1.00 0.00 C ATOM 156 NH1 ARG A 136 7.355 8.801 2.792 1.00 0.00 N ATOM 157 NH2 ARG A 136 8.831 7.143 2.212 1.00 0.00 N ATOM 0 H ARG A 136 3.187 5.313 -1.817 1.00 0.00 H new ATOM 0 HA ARG A 136 1.861 5.564 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.073 6.842 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.265 7.903 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.582 5.837 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.860 5.415 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.076 8.227 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.871 7.419 2.900 1.00 0.00 H new ATOM 0 HE ARG A 136 6.800 5.932 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.401 9.157 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.131 9.369 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 136 9.016 6.220 1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 136 9.603 7.716 2.554 1.00 0.00 H new ATOM 171 N ARG A 137 1.146 7.771 -1.658 1.00 0.00 N ATOM 172 CA ARG A 137 0.179 8.778 -2.079 1.00 0.00 C ATOM 173 C ARG A 137 -1.230 8.205 -2.090 1.00 0.00 C ATOM 174 O ARG A 137 -2.138 8.750 -1.460 1.00 0.00 O ATOM 175 CB ARG A 137 0.534 9.304 -3.468 1.00 0.00 C ATOM 176 CG ARG A 137 -0.326 10.476 -3.913 1.00 0.00 C ATOM 177 CD ARG A 137 0.358 11.806 -3.644 1.00 0.00 C ATOM 178 NE ARG A 137 0.232 12.726 -4.772 1.00 0.00 N ATOM 179 CZ ARG A 137 1.028 13.775 -4.967 1.00 0.00 C ATOM 180 NH1 ARG A 137 2.008 14.043 -4.112 1.00 0.00 N ATOM 181 NH2 ARG A 137 0.844 14.558 -6.021 1.00 0.00 N ATOM 0 H ARG A 137 1.880 7.583 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 137 0.214 9.600 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.581 9.609 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.432 8.494 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.542 10.386 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.282 10.446 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -0.075 12.263 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.413 11.634 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.510 12.554 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 137 2.154 13.443 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.614 14.848 -4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 137 0.093 14.356 -6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.453 15.362 -6.172 1.00 0.00 H new ATOM 195 N LEU A 138 -1.411 7.104 -2.809 1.00 0.00 N ATOM 196 CA LEU A 138 -2.704 6.463 -2.899 1.00 0.00 C ATOM 197 C LEU A 138 -3.160 5.986 -1.528 1.00 0.00 C ATOM 198 O LEU A 138 -4.330 6.096 -1.186 1.00 0.00 O ATOM 199 CB LEU A 138 -2.637 5.293 -3.875 1.00 0.00 C ATOM 200 CG LEU A 138 -1.755 4.136 -3.431 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.509 3.224 -2.481 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.267 3.362 -4.640 1.00 0.00 C ATOM 0 H LEU A 138 -0.672 6.640 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.430 7.188 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.647 4.918 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.273 5.660 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.891 4.537 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.861 2.402 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.818 3.790 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.390 2.824 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.636 2.536 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.122 2.970 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.691 4.023 -5.287 1.00 0.00 H new ATOM 214 N ALA A 139 -2.228 5.452 -0.742 1.00 0.00 N ATOM 215 CA ALA A 139 -2.550 4.963 0.593 1.00 0.00 C ATOM 216 C ALA A 139 -3.154 6.075 1.442 1.00 0.00 C ATOM 217 O ALA A 139 -4.058 5.840 2.245 1.00 0.00 O ATOM 218 CB ALA A 139 -1.307 4.396 1.264 1.00 0.00 C ATOM 0 H ALA A 139 -1.248 5.348 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.288 4.166 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.564 4.035 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.916 3.571 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.549 5.176 1.345 1.00 0.00 H new ATOM 224 N LYS A 140 -2.644 7.289 1.249 1.00 0.00 N ATOM 225 CA LYS A 140 -3.124 8.453 1.983 1.00 0.00 C ATOM 226 C LYS A 140 -4.456 8.942 1.420 1.00 0.00 C ATOM 227 O LYS A 140 -5.298 9.457 2.155 1.00 0.00 O ATOM 228 CB LYS A 140 -2.088 9.578 1.924 1.00 0.00 C ATOM 229 CG LYS A 140 -2.146 10.523 3.114 1.00 0.00 C ATOM 230 CD LYS A 140 -0.758 10.826 3.656 1.00 0.00 C ATOM 231 CE LYS A 140 -0.817 11.777 4.840 1.00 0.00 C ATOM 232 NZ LYS A 140 -1.069 13.181 4.414 1.00 0.00 N ATOM 0 H LYS A 140 -1.895 7.491 0.587 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.276 8.160 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.091 9.140 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.238 10.150 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.633 11.452 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.756 10.081 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.274 9.897 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.146 11.263 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -1.605 11.458 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 140 0.122 11.728 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.102 13.797 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.304 13.495 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -1.977 13.233 3.910 1.00 0.00 H new ATOM 246 N GLU A 141 -4.639 8.777 0.113 1.00 0.00 N ATOM 247 CA GLU A 141 -5.872 9.201 -0.546 1.00 0.00 C ATOM 248 C GLU A 141 -6.965 8.144 -0.391 1.00 0.00 C ATOM 249 O GLU A 141 -8.154 8.438 -0.526 1.00 0.00 O ATOM 250 CB GLU A 141 -5.609 9.478 -2.030 1.00 0.00 C ATOM 251 CG GLU A 141 -6.862 9.812 -2.823 1.00 0.00 C ATOM 252 CD GLU A 141 -7.383 8.629 -3.615 1.00 0.00 C ATOM 253 OE1 GLU A 141 -7.567 7.548 -3.015 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.606 8.781 -4.834 1.00 0.00 O ATOM 0 H GLU A 141 -3.951 8.354 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.216 10.119 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.904 10.305 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.131 8.605 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.638 10.158 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -6.647 10.635 -3.505 1.00 0.00 H new ATOM 261 N LEU A 142 -6.550 6.916 -0.110 1.00 0.00 N ATOM 262 CA LEU A 142 -7.470 5.802 0.066 1.00 0.00 C ATOM 263 C LEU A 142 -7.824 5.627 1.537 1.00 0.00 C ATOM 264 O LEU A 142 -8.895 5.123 1.875 1.00 0.00 O ATOM 265 CB LEU A 142 -6.834 4.515 -0.464 1.00 0.00 C ATOM 266 CG LEU A 142 -6.981 4.284 -1.969 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.674 3.780 -2.566 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.109 3.303 -2.245 1.00 0.00 C ATOM 0 H LEU A 142 -5.568 6.665 0.002 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.382 6.015 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.772 4.526 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.275 3.668 0.062 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.226 5.235 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.800 3.622 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.889 4.517 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.396 2.839 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.202 3.148 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.891 2.352 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.044 3.704 -1.854 1.00 0.00 H new ATOM 280 N GLY A 143 -6.907 6.036 2.409 1.00 0.00 N ATOM 281 CA GLY A 143 -7.129 5.907 3.833 1.00 0.00 C ATOM 282 C GLY A 143 -6.914 4.487 4.307 1.00 0.00 C ATOM 283 O GLY A 143 -7.690 3.963 5.104 1.00 0.00 O ATOM 0 H GLY A 143 -6.013 6.455 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.454 6.575 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.145 6.221 4.073 1.00 0.00 H new ATOM 287 N ILE A 144 -5.855 3.862 3.803 1.00 0.00 N ATOM 288 CA ILE A 144 -5.535 2.489 4.166 1.00 0.00 C ATOM 289 C ILE A 144 -4.191 2.410 4.885 1.00 0.00 C ATOM 290 O ILE A 144 -3.202 2.986 4.433 1.00 0.00 O ATOM 291 CB ILE A 144 -5.512 1.577 2.919 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.822 0.126 3.311 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.173 1.680 2.195 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.625 -0.644 3.828 1.00 0.00 C ATOM 0 H ILE A 144 -5.204 4.286 3.142 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.316 2.141 4.842 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.286 1.914 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.599 0.126 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.228 -0.394 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.181 1.029 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.009 2.710 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.371 1.375 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.928 -1.660 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.854 -0.678 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.230 -0.150 4.716 1.00 0.00 H new ATOM 306 N ASP A 145 -4.162 1.692 5.999 1.00 0.00 N ATOM 307 CA ASP A 145 -2.937 1.539 6.772 1.00 0.00 C ATOM 308 C ASP A 145 -1.848 0.885 5.929 1.00 0.00 C ATOM 309 O ASP A 145 -1.843 -0.332 5.745 1.00 0.00 O ATOM 310 CB ASP A 145 -3.201 0.696 8.020 1.00 0.00 C ATOM 311 CG ASP A 145 -2.187 0.952 9.117 1.00 0.00 C ATOM 312 OD1 ASP A 145 -0.997 0.638 8.911 1.00 0.00 O ATOM 313 OD2 ASP A 145 -2.585 1.467 10.183 1.00 0.00 O ATOM 0 H ASP A 145 -4.971 1.207 6.387 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.598 2.530 7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.201 0.912 8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.183 -0.360 7.752 1.00 0.00 H new ATOM 318 N ALA A 146 -0.925 1.694 5.421 1.00 0.00 N ATOM 319 CA ALA A 146 0.165 1.176 4.604 1.00 0.00 C ATOM 320 C ALA A 146 1.017 0.201 5.406 1.00 0.00 C ATOM 321 O ALA A 146 1.409 -0.854 4.907 1.00 0.00 O ATOM 322 CB ALA A 146 1.016 2.312 4.060 1.00 0.00 C ATOM 0 H ALA A 146 -0.910 2.704 5.559 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.266 0.640 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.824 1.903 3.453 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.398 2.968 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.437 2.880 4.889 1.00 0.00 H new ATOM 328 N SER A 147 1.289 0.550 6.662 1.00 0.00 N ATOM 329 CA SER A 147 2.081 -0.309 7.535 1.00 0.00 C ATOM 330 C SER A 147 1.432 -1.681 7.636 1.00 0.00 C ATOM 331 O SER A 147 2.096 -2.705 7.472 1.00 0.00 O ATOM 332 CB SER A 147 2.226 0.316 8.924 1.00 0.00 C ATOM 333 OG SER A 147 1.362 1.429 9.078 1.00 0.00 O ATOM 0 H SER A 147 0.974 1.418 7.095 1.00 0.00 H new ATOM 0 HA SER A 147 3.078 -0.418 7.107 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.002 -0.430 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.258 0.630 9.079 1.00 0.00 H new ATOM 0 HG SER A 147 0.513 1.133 9.468 1.00 0.00 H new ATOM 339 N LYS A 148 0.124 -1.694 7.873 1.00 0.00 N ATOM 340 CA LYS A 148 -0.612 -2.946 7.957 1.00 0.00 C ATOM 341 C LYS A 148 -0.463 -3.704 6.638 1.00 0.00 C ATOM 342 O LYS A 148 -0.506 -4.933 6.602 1.00 0.00 O ATOM 343 CB LYS A 148 -2.087 -2.678 8.292 1.00 0.00 C ATOM 344 CG LYS A 148 -3.029 -2.761 7.102 1.00 0.00 C ATOM 345 CD LYS A 148 -3.430 -4.197 6.824 1.00 0.00 C ATOM 346 CE LYS A 148 -4.803 -4.515 7.395 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.923 -4.092 8.818 1.00 0.00 N ATOM 0 H LYS A 148 -0.443 -0.857 8.009 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.205 -3.562 8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.411 -3.395 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.171 -1.687 8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.919 -2.162 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.546 -2.338 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.433 -4.373 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.691 -4.872 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.568 -4.014 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.989 -5.586 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.834 -4.416 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.147 -4.509 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.872 -3.055 8.877 1.00 0.00 H new ATOM 361 N VAL A 149 -0.259 -2.946 5.559 1.00 0.00 N ATOM 362 CA VAL A 149 -0.067 -3.520 4.236 1.00 0.00 C ATOM 363 C VAL A 149 1.394 -3.921 4.053 1.00 0.00 C ATOM 364 O VAL A 149 2.198 -3.148 3.538 1.00 0.00 O ATOM 365 CB VAL A 149 -0.471 -2.513 3.134 1.00 0.00 C ATOM 366 CG1 VAL A 149 0.005 -2.970 1.761 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.976 -2.300 3.138 1.00 0.00 C ATOM 0 H VAL A 149 -0.223 -1.927 5.582 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.702 -4.402 4.149 1.00 0.00 H new ATOM 0 HB VAL A 149 0.017 -1.563 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.296 -2.240 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.091 -3.061 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.439 -3.937 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.245 -1.589 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.478 -3.249 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.286 -1.909 4.107 1.00 0.00 H new ATOM 377 N LYS A 150 1.731 -5.128 4.495 1.00 0.00 N ATOM 378 CA LYS A 150 3.099 -5.634 4.399 1.00 0.00 C ATOM 379 C LYS A 150 3.657 -5.489 2.985 1.00 0.00 C ATOM 380 O LYS A 150 3.512 -6.383 2.152 1.00 0.00 O ATOM 381 CB LYS A 150 3.147 -7.102 4.828 1.00 0.00 C ATOM 382 CG LYS A 150 2.197 -8.001 4.049 1.00 0.00 C ATOM 383 CD LYS A 150 2.788 -9.385 3.835 1.00 0.00 C ATOM 384 CE LYS A 150 2.139 -10.417 4.745 1.00 0.00 C ATOM 385 NZ LYS A 150 3.099 -11.478 5.155 1.00 0.00 N ATOM 0 H LYS A 150 1.073 -5.778 4.925 1.00 0.00 H new ATOM 0 HA LYS A 150 3.720 -5.037 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.165 -7.473 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.907 -7.169 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.253 -8.087 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 150 1.974 -7.546 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 150 2.655 -9.681 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 150 3.861 -9.356 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 150 1.745 -9.922 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 150 1.292 -10.872 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.618 -12.161 5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 3.456 -11.968 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 3.895 -11.047 5.668 1.00 0.00 H new ATOM 399 N GLY A 151 4.300 -4.356 2.723 1.00 0.00 N ATOM 400 CA GLY A 151 4.873 -4.114 1.413 1.00 0.00 C ATOM 401 C GLY A 151 5.877 -5.174 1.008 1.00 0.00 C ATOM 402 O GLY A 151 6.699 -5.603 1.817 1.00 0.00 O ATOM 0 H GLY A 151 4.434 -3.601 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.074 -4.075 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.359 -3.138 1.408 1.00 0.00 H new ATOM 406 N THR A 152 5.809 -5.596 -0.250 1.00 0.00 N ATOM 407 CA THR A 152 6.718 -6.612 -0.769 1.00 0.00 C ATOM 408 C THR A 152 7.563 -6.054 -1.917 1.00 0.00 C ATOM 409 O THR A 152 8.187 -6.807 -2.665 1.00 0.00 O ATOM 410 CB THR A 152 5.930 -7.853 -1.230 1.00 0.00 C ATOM 411 OG1 THR A 152 6.166 -8.133 -2.599 1.00 0.00 O ATOM 412 CG2 THR A 152 4.432 -7.722 -1.049 1.00 0.00 C ATOM 0 H THR A 152 5.133 -5.250 -0.930 1.00 0.00 H new ATOM 0 HA THR A 152 7.393 -6.908 0.034 1.00 0.00 H new ATOM 0 HB THR A 152 6.292 -8.661 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.131 -8.167 -2.764 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.943 -8.633 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.205 -7.566 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.068 -6.873 -1.628 1.00 0.00 H new ATOM 420 N GLY A 153 7.580 -4.730 -2.050 1.00 0.00 N ATOM 421 CA GLY A 153 8.347 -4.101 -3.107 1.00 0.00 C ATOM 422 C GLY A 153 9.837 -4.068 -2.812 1.00 0.00 C ATOM 423 O GLY A 153 10.242 -4.152 -1.652 1.00 0.00 O ATOM 0 H GLY A 153 7.076 -4.083 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.178 -4.637 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 153 7.988 -3.083 -3.254 1.00 0.00 H new ATOM 427 N PRO A 154 10.682 -3.940 -3.852 1.00 0.00 N ATOM 428 CA PRO A 154 12.141 -3.899 -3.701 1.00 0.00 C ATOM 429 C PRO A 154 12.592 -3.009 -2.547 1.00 0.00 C ATOM 430 O PRO A 154 12.598 -1.784 -2.658 1.00 0.00 O ATOM 431 CB PRO A 154 12.608 -3.324 -5.035 1.00 0.00 C ATOM 432 CG PRO A 154 11.583 -3.781 -6.014 1.00 0.00 C ATOM 433 CD PRO A 154 10.275 -3.820 -5.266 1.00 0.00 C ATOM 0 HA PRO A 154 12.554 -4.880 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.667 -2.236 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.601 -3.689 -5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.525 -3.101 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.834 -4.765 -6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.688 -2.918 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.660 -4.664 -5.578 1.00 0.00 H new ATOM 441 N GLY A 155 12.971 -3.638 -1.440 1.00 0.00 N ATOM 442 CA GLY A 155 13.419 -2.894 -0.279 1.00 0.00 C ATOM 443 C GLY A 155 12.328 -2.740 0.760 1.00 0.00 C ATOM 444 O GLY A 155 12.363 -1.820 1.576 1.00 0.00 O ATOM 0 H GLY A 155 12.976 -4.652 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.274 -3.402 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.762 -1.908 -0.592 1.00 0.00 H new ATOM 448 N GLY A 156 11.353 -3.645 0.729 1.00 0.00 N ATOM 449 CA GLY A 156 10.260 -3.589 1.678 1.00 0.00 C ATOM 450 C GLY A 156 9.302 -2.450 1.397 1.00 0.00 C ATOM 451 O GLY A 156 8.587 -2.004 2.294 1.00 0.00 O ATOM 0 H GLY A 156 11.303 -4.415 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.714 -4.532 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.663 -3.480 2.685 1.00 0.00 H new ATOM 455 N VAL A 157 9.285 -1.964 0.156 1.00 0.00 N ATOM 456 CA VAL A 157 8.403 -0.863 -0.199 1.00 0.00 C ATOM 457 C VAL A 157 7.024 -1.371 -0.594 1.00 0.00 C ATOM 458 O VAL A 157 6.894 -2.187 -1.506 1.00 0.00 O ATOM 459 CB VAL A 157 8.978 0.019 -1.347 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.461 -0.219 -1.550 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.236 -0.195 -2.663 1.00 0.00 C ATOM 0 H VAL A 157 9.865 -2.312 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 157 8.321 -0.242 0.693 1.00 0.00 H new ATOM 0 HB VAL A 157 8.831 1.053 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.824 0.415 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 157 10.997 0.022 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.630 -1.265 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.672 0.441 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.321 -1.239 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.184 0.061 -2.534 1.00 0.00 H new ATOM 471 N ILE A 158 5.990 -0.870 0.072 1.00 0.00 N ATOM 472 CA ILE A 158 4.637 -1.273 -0.266 1.00 0.00 C ATOM 473 C ILE A 158 4.345 -0.842 -1.692 1.00 0.00 C ATOM 474 O ILE A 158 4.279 0.348 -1.992 1.00 0.00 O ATOM 475 CB ILE A 158 3.587 -0.683 0.700 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.620 0.845 0.698 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.815 -1.210 2.107 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.315 1.460 1.150 1.00 0.00 C ATOM 0 H ILE A 158 6.063 -0.197 0.835 1.00 0.00 H new ATOM 0 HA ILE A 158 4.569 -2.357 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 158 2.602 -0.996 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.423 1.187 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.854 1.197 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.069 -0.787 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.729 -2.297 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.811 -0.925 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.398 2.547 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.513 1.144 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.091 1.134 2.166 1.00 0.00 H new ATOM 490 N THR A 159 4.221 -1.810 -2.583 1.00 0.00 N ATOM 491 CA THR A 159 3.992 -1.505 -3.983 1.00 0.00 C ATOM 492 C THR A 159 2.563 -1.059 -4.232 1.00 0.00 C ATOM 493 O THR A 159 1.651 -1.359 -3.462 1.00 0.00 O ATOM 494 CB THR A 159 4.345 -2.707 -4.855 1.00 0.00 C ATOM 495 OG1 THR A 159 3.588 -3.844 -4.480 1.00 0.00 O ATOM 496 CG2 THR A 159 5.811 -3.079 -4.774 1.00 0.00 C ATOM 0 H THR A 159 4.274 -2.805 -2.364 1.00 0.00 H new ATOM 0 HA THR A 159 4.644 -0.675 -4.254 1.00 0.00 H new ATOM 0 HB THR A 159 4.113 -2.407 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.087 -4.365 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.004 -3.940 -5.414 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.419 -2.237 -5.105 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.067 -3.328 -3.744 1.00 0.00 H new ATOM 504 N VAL A 160 2.382 -0.320 -5.313 1.00 0.00 N ATOM 505 CA VAL A 160 1.070 0.195 -5.673 1.00 0.00 C ATOM 506 C VAL A 160 0.049 -0.929 -5.756 1.00 0.00 C ATOM 507 O VAL A 160 -1.076 -0.800 -5.276 1.00 0.00 O ATOM 508 CB VAL A 160 1.088 0.961 -7.011 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.201 2.173 -6.892 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.498 1.379 -7.409 1.00 0.00 C ATOM 0 H VAL A 160 3.128 -0.062 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 160 0.787 0.892 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 160 0.717 0.298 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.207 2.722 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.817 1.858 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.570 2.817 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.464 1.916 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.916 2.028 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.124 0.493 -7.516 1.00 0.00 H new ATOM 520 N GLU A 161 0.460 -2.034 -6.356 1.00 0.00 N ATOM 521 CA GLU A 161 -0.405 -3.194 -6.491 1.00 0.00 C ATOM 522 C GLU A 161 -0.723 -3.770 -5.117 1.00 0.00 C ATOM 523 O GLU A 161 -1.772 -4.379 -4.909 1.00 0.00 O ATOM 524 CB GLU A 161 0.264 -4.257 -7.368 1.00 0.00 C ATOM 525 CG GLU A 161 -0.432 -4.471 -8.702 1.00 0.00 C ATOM 526 CD GLU A 161 0.476 -4.198 -9.886 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.255 -3.224 -9.825 1.00 0.00 O ATOM 528 OE2 GLU A 161 0.409 -4.960 -10.874 1.00 0.00 O ATOM 0 H GLU A 161 1.390 -2.152 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.335 -2.885 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.299 -3.967 -7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.288 -5.202 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.796 -5.497 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.304 -3.820 -8.761 1.00 0.00 H new ATOM 535 N ASP A 162 0.193 -3.564 -4.178 1.00 0.00 N ATOM 536 CA ASP A 162 0.015 -4.056 -2.820 1.00 0.00 C ATOM 537 C ASP A 162 -1.102 -3.294 -2.121 1.00 0.00 C ATOM 538 O ASP A 162 -1.967 -3.886 -1.475 1.00 0.00 O ATOM 539 CB ASP A 162 1.313 -3.917 -2.020 1.00 0.00 C ATOM 540 CG ASP A 162 2.337 -4.978 -2.369 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.934 -6.060 -2.847 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.545 -4.726 -2.163 1.00 0.00 O ATOM 0 H ASP A 162 1.066 -3.060 -4.333 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.253 -5.111 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.742 -2.932 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.086 -3.975 -0.956 1.00 0.00 H new ATOM 547 N VAL A 163 -1.074 -1.974 -2.253 1.00 0.00 N ATOM 548 CA VAL A 163 -2.082 -1.122 -1.627 1.00 0.00 C ATOM 549 C VAL A 163 -3.411 -1.196 -2.372 1.00 0.00 C ATOM 550 O VAL A 163 -4.474 -1.266 -1.758 1.00 0.00 O ATOM 551 CB VAL A 163 -1.663 0.365 -1.565 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.959 0.948 -0.190 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.198 0.573 -1.929 1.00 0.00 C ATOM 0 H VAL A 163 -0.366 -1.469 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.186 -1.504 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.256 0.894 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.657 1.995 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.027 0.873 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.405 0.393 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.045 1.634 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.432 0.017 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -0.021 0.216 -2.944 1.00 0.00 H new ATOM 563 N LYS A 164 -3.344 -1.153 -3.698 1.00 0.00 N ATOM 564 CA LYS A 164 -4.541 -1.189 -4.526 1.00 0.00 C ATOM 565 C LYS A 164 -5.338 -2.467 -4.297 1.00 0.00 C ATOM 566 O LYS A 164 -6.561 -2.431 -4.161 1.00 0.00 O ATOM 567 CB LYS A 164 -4.157 -1.062 -5.998 1.00 0.00 C ATOM 568 CG LYS A 164 -4.498 0.289 -6.601 1.00 0.00 C ATOM 569 CD LYS A 164 -4.346 0.277 -8.115 1.00 0.00 C ATOM 570 CE LYS A 164 -3.742 1.575 -8.626 1.00 0.00 C ATOM 571 NZ LYS A 164 -4.754 2.428 -9.310 1.00 0.00 N ATOM 0 H LYS A 164 -2.471 -1.093 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.174 -0.348 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.086 -1.237 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.664 -1.842 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.521 0.558 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.848 1.053 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.715 -0.561 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.320 0.121 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -3.307 2.126 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -2.930 1.350 -9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -4.302 3.303 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -5.151 1.913 -10.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -5.516 2.664 -8.643 1.00 0.00 H new