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 -144:sc= -0.284 (180deg=-2.1!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 65:sc= 1.08 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= 1.11 USER MOD Single : A 159 THR OG1 : rot -71:sc= -0.481 USER MOD Single : A 164 LYS NZ :NH3+ -159:sc= 0.0187 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.321 0.091 4.343 1.00 0.00 N ATOM 77 CA ALA A 130 9.398 1.018 3.225 1.00 0.00 C ATOM 78 C ALA A 130 8.036 1.185 2.570 1.00 0.00 C ATOM 79 O ALA A 130 7.206 0.276 2.593 1.00 0.00 O ATOM 80 CB ALA A 130 10.420 0.548 2.200 1.00 0.00 C ATOM 0 HA ALA A 130 9.718 1.985 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.459 1.258 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.402 0.482 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.132 -0.433 1.822 1.00 0.00 H new ATOM 86 N ALA A 131 7.816 2.349 1.981 1.00 0.00 N ATOM 87 CA ALA A 131 6.560 2.640 1.306 1.00 0.00 C ATOM 88 C ALA A 131 6.766 3.663 0.196 1.00 0.00 C ATOM 89 O ALA A 131 6.761 4.867 0.449 1.00 0.00 O ATOM 90 CB ALA A 131 5.529 3.144 2.306 1.00 0.00 C ATOM 0 H ALA A 131 8.493 3.111 1.956 1.00 0.00 H new ATOM 0 HA ALA A 131 6.191 1.718 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.594 3.358 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.357 2.382 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.897 4.053 2.781 1.00 0.00 H new ATOM 96 N MET A 132 6.954 3.186 -1.037 1.00 0.00 N ATOM 97 CA MET A 132 7.165 4.088 -2.169 1.00 0.00 C ATOM 98 C MET A 132 6.144 5.230 -2.154 1.00 0.00 C ATOM 99 O MET A 132 5.143 5.166 -1.439 1.00 0.00 O ATOM 100 CB MET A 132 7.110 3.327 -3.499 1.00 0.00 C ATOM 101 CG MET A 132 5.888 2.436 -3.666 1.00 0.00 C ATOM 102 SD MET A 132 5.988 1.414 -5.149 1.00 0.00 S ATOM 103 CE MET A 132 6.248 2.662 -6.405 1.00 0.00 C ATOM 0 H MET A 132 6.964 2.194 -1.274 1.00 0.00 H new ATOM 0 HA MET A 132 8.161 4.520 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.133 4.048 -4.317 1.00 0.00 H new ATOM 0 HB3 MET A 132 8.006 2.713 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.786 1.794 -2.791 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.992 3.055 -3.713 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.727 2.373 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.861 3.618 -6.053 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.314 2.755 -6.610 1.00 0.00 H new ATOM 113 N PRO A 133 6.394 6.300 -2.928 1.00 0.00 N ATOM 114 CA PRO A 133 5.503 7.468 -2.983 1.00 0.00 C ATOM 115 C PRO A 133 4.141 7.143 -3.580 1.00 0.00 C ATOM 116 O PRO A 133 3.104 7.491 -3.016 1.00 0.00 O ATOM 117 CB PRO A 133 6.253 8.462 -3.880 1.00 0.00 C ATOM 118 CG PRO A 133 7.657 7.959 -3.940 1.00 0.00 C ATOM 119 CD PRO A 133 7.565 6.469 -3.798 1.00 0.00 C ATOM 0 HA PRO A 133 5.290 7.851 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.809 8.507 -4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.214 9.470 -3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.130 8.233 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.261 8.391 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.428 5.978 -4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.466 6.048 -3.351 1.00 0.00 H new ATOM 127 N ALA A 134 4.151 6.480 -4.727 1.00 0.00 N ATOM 128 CA ALA A 134 2.917 6.111 -5.410 1.00 0.00 C ATOM 129 C ALA A 134 1.981 5.332 -4.488 1.00 0.00 C ATOM 130 O ALA A 134 0.795 5.645 -4.382 1.00 0.00 O ATOM 131 CB ALA A 134 3.240 5.299 -6.654 1.00 0.00 C ATOM 0 H ALA A 134 5.002 6.185 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 134 2.401 7.025 -5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.314 5.026 -7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.860 5.893 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.778 4.395 -6.369 1.00 0.00 H new ATOM 137 N ALA A 135 2.526 4.317 -3.826 1.00 0.00 N ATOM 138 CA ALA A 135 1.745 3.487 -2.917 1.00 0.00 C ATOM 139 C ALA A 135 1.339 4.261 -1.671 1.00 0.00 C ATOM 140 O ALA A 135 0.256 4.056 -1.125 1.00 0.00 O ATOM 141 CB ALA A 135 2.531 2.242 -2.539 1.00 0.00 C ATOM 0 H ALA A 135 3.507 4.049 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 135 0.833 3.187 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.938 1.630 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.760 1.669 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.460 2.533 -2.048 1.00 0.00 H new ATOM 147 N ARG A 136 2.214 5.155 -1.232 1.00 0.00 N ATOM 148 CA ARG A 136 1.949 5.968 -0.054 1.00 0.00 C ATOM 149 C ARG A 136 0.840 6.973 -0.333 1.00 0.00 C ATOM 150 O ARG A 136 -0.115 7.102 0.436 1.00 0.00 O ATOM 151 CB ARG A 136 3.221 6.702 0.363 1.00 0.00 C ATOM 152 CG ARG A 136 3.977 6.009 1.479 1.00 0.00 C ATOM 153 CD ARG A 136 4.720 7.005 2.356 1.00 0.00 C ATOM 154 NE ARG A 136 6.078 6.558 2.662 1.00 0.00 N ATOM 155 CZ ARG A 136 6.797 7.016 3.683 1.00 0.00 C ATOM 156 NH1 ARG A 136 6.294 7.932 4.503 1.00 0.00 N ATOM 157 NH2 ARG A 136 8.023 6.556 3.888 1.00 0.00 N ATOM 0 H ARG A 136 3.115 5.336 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 136 1.626 5.313 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.876 6.800 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.961 7.711 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.280 5.435 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.686 5.299 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.761 7.971 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.169 7.152 3.285 1.00 0.00 H new ATOM 0 HE ARG A 136 6.499 5.853 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.350 8.289 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.851 8.279 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 136 8.414 5.851 3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 136 8.575 6.907 4.671 1.00 0.00 H new ATOM 171 N ARG A 137 0.980 7.682 -1.444 1.00 0.00 N ATOM 172 CA ARG A 137 0.001 8.683 -1.848 1.00 0.00 C ATOM 173 C ARG A 137 -1.381 8.063 -1.993 1.00 0.00 C ATOM 174 O ARG A 137 -2.344 8.513 -1.371 1.00 0.00 O ATOM 175 CB ARG A 137 0.418 9.327 -3.170 1.00 0.00 C ATOM 176 CG ARG A 137 -0.419 10.537 -3.547 1.00 0.00 C ATOM 177 CD ARG A 137 -0.398 10.786 -5.046 1.00 0.00 C ATOM 178 NE ARG A 137 -1.173 11.968 -5.415 1.00 0.00 N ATOM 179 CZ ARG A 137 -1.620 12.206 -6.646 1.00 0.00 C ATOM 180 NH1 ARG A 137 -1.372 11.349 -7.628 1.00 0.00 N ATOM 181 NH2 ARG A 137 -2.318 13.306 -6.895 1.00 0.00 N ATOM 0 H ARG A 137 1.767 7.582 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 137 -0.040 9.448 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.464 9.625 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.347 8.584 -3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.447 10.386 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.043 11.417 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.633 10.910 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -0.798 9.914 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 137 -1.384 12.651 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.836 10.501 -7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.718 11.538 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -2.512 13.968 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -2.661 13.490 -7.838 1.00 0.00 H new ATOM 195 N LEU A 138 -1.471 7.025 -2.815 1.00 0.00 N ATOM 196 CA LEU A 138 -2.729 6.342 -3.040 1.00 0.00 C ATOM 197 C LEU A 138 -3.259 5.762 -1.735 1.00 0.00 C ATOM 198 O LEU A 138 -4.457 5.785 -1.480 1.00 0.00 O ATOM 199 CB LEU A 138 -2.535 5.238 -4.076 1.00 0.00 C ATOM 200 CG LEU A 138 -1.658 4.081 -3.626 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.455 3.102 -2.788 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.060 3.386 -4.833 1.00 0.00 C ATOM 0 H LEU A 138 -0.683 6.640 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.461 7.057 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.513 4.846 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.100 5.676 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.849 4.473 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.810 2.281 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.846 3.611 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.283 2.708 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.433 2.558 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.860 3.004 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.456 4.095 -5.399 1.00 0.00 H new ATOM 214 N ALA A 139 -2.356 5.239 -0.909 1.00 0.00 N ATOM 215 CA ALA A 139 -2.743 4.655 0.371 1.00 0.00 C ATOM 216 C ALA A 139 -3.493 5.670 1.226 1.00 0.00 C ATOM 217 O ALA A 139 -4.475 5.334 1.891 1.00 0.00 O ATOM 218 CB ALA A 139 -1.515 4.146 1.110 1.00 0.00 C ATOM 0 H ALA A 139 -1.355 5.208 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.410 3.815 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.818 3.713 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.017 3.386 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.829 4.974 1.289 1.00 0.00 H new ATOM 224 N LYS A 140 -3.018 6.911 1.202 1.00 0.00 N ATOM 225 CA LYS A 140 -3.633 7.985 1.971 1.00 0.00 C ATOM 226 C LYS A 140 -4.914 8.476 1.303 1.00 0.00 C ATOM 227 O LYS A 140 -5.837 8.939 1.975 1.00 0.00 O ATOM 228 CB LYS A 140 -2.650 9.147 2.132 1.00 0.00 C ATOM 229 CG LYS A 140 -3.208 10.310 2.937 1.00 0.00 C ATOM 230 CD LYS A 140 -2.219 11.464 3.009 1.00 0.00 C ATOM 231 CE LYS A 140 -2.657 12.633 2.139 1.00 0.00 C ATOM 232 NZ LYS A 140 -3.084 13.803 2.955 1.00 0.00 N ATOM 0 H LYS A 140 -2.206 7.198 0.656 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.890 7.592 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.745 8.782 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.360 9.506 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.138 10.654 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.450 9.973 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.121 11.796 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.235 11.121 2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -1.836 12.927 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.479 12.319 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -3.375 14.578 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.884 13.530 3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.292 14.119 3.550 1.00 0.00 H new ATOM 246 N GLU A 141 -4.966 8.377 -0.023 1.00 0.00 N ATOM 247 CA GLU A 141 -6.138 8.816 -0.776 1.00 0.00 C ATOM 248 C GLU A 141 -7.203 7.720 -0.842 1.00 0.00 C ATOM 249 O GLU A 141 -8.360 7.985 -1.164 1.00 0.00 O ATOM 250 CB GLU A 141 -5.727 9.231 -2.192 1.00 0.00 C ATOM 251 CG GLU A 141 -6.892 9.676 -3.061 1.00 0.00 C ATOM 252 CD GLU A 141 -6.440 10.356 -4.338 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.975 11.513 -4.262 1.00 0.00 O ATOM 254 OE2 GLU A 141 -6.549 9.731 -5.414 1.00 0.00 O ATOM 0 H GLU A 141 -4.213 7.998 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.568 9.673 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.003 10.043 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.224 8.393 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.505 8.810 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.523 10.360 -2.494 1.00 0.00 H new ATOM 261 N LEU A 142 -6.801 6.490 -0.541 1.00 0.00 N ATOM 262 CA LEU A 142 -7.709 5.352 -0.570 1.00 0.00 C ATOM 263 C LEU A 142 -8.192 5.004 0.833 1.00 0.00 C ATOM 264 O LEU A 142 -9.288 4.473 1.011 1.00 0.00 O ATOM 265 CB LEU A 142 -7.003 4.142 -1.185 1.00 0.00 C ATOM 266 CG LEU A 142 -7.028 4.084 -2.715 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.668 3.666 -3.257 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.110 3.128 -3.190 1.00 0.00 C ATOM 0 H LEU A 142 -5.845 6.256 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.574 5.620 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.965 4.140 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.464 3.235 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.255 5.080 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.706 3.630 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.914 4.388 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.410 2.680 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.116 3.097 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.911 2.130 -2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.081 3.470 -2.832 1.00 0.00 H new ATOM 280 N GLY A 143 -7.359 5.297 1.827 1.00 0.00 N ATOM 281 CA GLY A 143 -7.712 5.001 3.201 1.00 0.00 C ATOM 282 C GLY A 143 -7.348 3.582 3.585 1.00 0.00 C ATOM 283 O GLY A 143 -8.070 2.926 4.335 1.00 0.00 O ATOM 0 H GLY A 143 -6.446 5.734 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -7.202 5.699 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.782 5.152 3.341 1.00 0.00 H new ATOM 287 N ILE A 144 -6.221 3.110 3.064 1.00 0.00 N ATOM 288 CA ILE A 144 -5.751 1.761 3.345 1.00 0.00 C ATOM 289 C ILE A 144 -4.485 1.799 4.198 1.00 0.00 C ATOM 290 O ILE A 144 -3.509 2.464 3.848 1.00 0.00 O ATOM 291 CB ILE A 144 -5.473 0.990 2.032 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.569 -0.525 2.250 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.109 1.361 1.465 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.348 -1.122 2.895 1.00 0.00 C ATOM 0 H ILE A 144 -5.615 3.645 2.442 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.535 1.243 3.897 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.237 1.278 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.439 -0.739 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -5.736 -1.012 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.936 0.807 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.080 2.431 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.334 1.111 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.489 -2.196 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.478 -0.940 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.191 -0.663 3.871 1.00 0.00 H new ATOM 306 N ASP A 145 -4.503 1.089 5.319 1.00 0.00 N ATOM 307 CA ASP A 145 -3.350 1.052 6.205 1.00 0.00 C ATOM 308 C ASP A 145 -2.145 0.453 5.487 1.00 0.00 C ATOM 309 O ASP A 145 -2.040 -0.764 5.348 1.00 0.00 O ATOM 310 CB ASP A 145 -3.667 0.237 7.459 1.00 0.00 C ATOM 311 CG ASP A 145 -3.040 0.826 8.707 1.00 0.00 C ATOM 312 OD1 ASP A 145 -1.919 1.368 8.609 1.00 0.00 O ATOM 313 OD2 ASP A 145 -3.669 0.745 9.784 1.00 0.00 O ATOM 0 H ASP A 145 -5.299 0.534 5.634 1.00 0.00 H new ATOM 0 HA ASP A 145 -3.112 2.074 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.748 0.183 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.311 -0.784 7.324 1.00 0.00 H new ATOM 318 N ALA A 146 -1.238 1.311 5.031 1.00 0.00 N ATOM 319 CA ALA A 146 -0.048 0.850 4.329 1.00 0.00 C ATOM 320 C ALA A 146 0.764 -0.099 5.201 1.00 0.00 C ATOM 321 O ALA A 146 1.207 -1.153 4.743 1.00 0.00 O ATOM 322 CB ALA A 146 0.803 2.030 3.885 1.00 0.00 C ATOM 0 H ALA A 146 -1.304 2.324 5.135 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.369 0.304 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.687 1.665 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.223 2.666 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.110 2.606 4.758 1.00 0.00 H new ATOM 328 N SER A 147 0.946 0.270 6.467 1.00 0.00 N ATOM 329 CA SER A 147 1.697 -0.564 7.399 1.00 0.00 C ATOM 330 C SER A 147 1.131 -1.976 7.412 1.00 0.00 C ATOM 331 O SER A 147 1.869 -2.951 7.264 1.00 0.00 O ATOM 332 CB SER A 147 1.666 0.036 8.808 1.00 0.00 C ATOM 333 OG SER A 147 0.756 1.119 8.884 1.00 0.00 O ATOM 0 H SER A 147 0.586 1.136 6.868 1.00 0.00 H new ATOM 0 HA SER A 147 2.735 -0.604 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.382 -0.732 9.527 1.00 0.00 H new ATOM 0 HB3 SER A 147 2.664 0.376 9.083 1.00 0.00 H new ATOM 0 HG SER A 147 -0.156 0.791 8.735 1.00 0.00 H new ATOM 339 N LYS A 148 -0.187 -2.084 7.557 1.00 0.00 N ATOM 340 CA LYS A 148 -0.838 -3.385 7.548 1.00 0.00 C ATOM 341 C LYS A 148 -0.490 -4.108 6.251 1.00 0.00 C ATOM 342 O LYS A 148 -0.356 -5.330 6.217 1.00 0.00 O ATOM 343 CB LYS A 148 -2.360 -3.230 7.707 1.00 0.00 C ATOM 344 CG LYS A 148 -3.147 -3.341 6.407 1.00 0.00 C ATOM 345 CD LYS A 148 -3.378 -4.794 6.029 1.00 0.00 C ATOM 346 CE LYS A 148 -4.795 -5.239 6.354 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.854 -6.027 7.616 1.00 0.00 N ATOM 0 H LYS A 148 -0.818 -1.292 7.681 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.481 -3.977 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.719 -3.991 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.568 -2.261 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -4.106 -2.833 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.606 -2.836 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.189 -4.928 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.667 -5.426 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.439 -4.364 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.184 -5.840 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.837 -6.311 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.260 -6.875 7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.507 -5.445 8.405 1.00 0.00 H new ATOM 361 N VAL A 149 -0.336 -3.323 5.188 1.00 0.00 N ATOM 362 CA VAL A 149 0.008 -3.852 3.881 1.00 0.00 C ATOM 363 C VAL A 149 1.500 -4.155 3.787 1.00 0.00 C ATOM 364 O VAL A 149 2.277 -3.338 3.300 1.00 0.00 O ATOM 365 CB VAL A 149 -0.400 -2.847 2.790 1.00 0.00 C ATOM 366 CG1 VAL A 149 0.151 -3.228 1.426 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.905 -2.746 2.747 1.00 0.00 C ATOM 0 H VAL A 149 -0.446 -2.309 5.212 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.535 -4.786 3.733 1.00 0.00 H new ATOM 0 HB VAL A 149 0.028 -1.877 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.163 -2.490 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.240 -3.258 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.228 -4.210 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.200 -2.035 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.329 -3.724 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.275 -2.406 3.714 1.00 0.00 H new ATOM 377 N LYS A 150 1.886 -5.337 4.259 1.00 0.00 N ATOM 378 CA LYS A 150 3.284 -5.762 4.231 1.00 0.00 C ATOM 379 C LYS A 150 3.877 -5.593 2.835 1.00 0.00 C ATOM 380 O LYS A 150 3.794 -6.493 1.999 1.00 0.00 O ATOM 381 CB LYS A 150 3.395 -7.225 4.677 1.00 0.00 C ATOM 382 CG LYS A 150 4.783 -7.826 4.500 1.00 0.00 C ATOM 383 CD LYS A 150 5.721 -7.398 5.618 1.00 0.00 C ATOM 384 CE LYS A 150 6.015 -8.546 6.569 1.00 0.00 C ATOM 385 NZ LYS A 150 6.252 -8.070 7.960 1.00 0.00 N ATOM 0 H LYS A 150 1.248 -6.020 4.667 1.00 0.00 H new ATOM 0 HA LYS A 150 3.848 -5.133 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.111 -7.296 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.678 -7.821 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.710 -8.913 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 150 5.195 -7.517 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 150 6.654 -7.030 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 150 5.276 -6.571 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 150 5.179 -9.246 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 150 6.891 -9.092 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 6.449 -8.884 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 7.066 -7.422 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.407 -7.571 8.305 1.00 0.00 H new ATOM 399 N GLY A 151 4.470 -4.430 2.591 1.00 0.00 N ATOM 400 CA GLY A 151 5.063 -4.155 1.297 1.00 0.00 C ATOM 401 C GLY A 151 6.102 -5.178 0.886 1.00 0.00 C ATOM 402 O GLY A 151 6.919 -5.608 1.699 1.00 0.00 O ATOM 0 H GLY A 151 4.550 -3.672 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.276 -4.123 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.524 -3.167 1.318 1.00 0.00 H new ATOM 406 N THR A 152 6.069 -5.563 -0.385 1.00 0.00 N ATOM 407 CA THR A 152 7.018 -6.539 -0.916 1.00 0.00 C ATOM 408 C THR A 152 7.868 -5.921 -2.028 1.00 0.00 C ATOM 409 O THR A 152 8.543 -6.632 -2.773 1.00 0.00 O ATOM 410 CB THR A 152 6.278 -7.785 -1.431 1.00 0.00 C ATOM 411 OG1 THR A 152 6.529 -8.000 -2.810 1.00 0.00 O ATOM 412 CG2 THR A 152 4.776 -7.714 -1.251 1.00 0.00 C ATOM 0 H THR A 152 5.396 -5.215 -1.068 1.00 0.00 H new ATOM 0 HA THR A 152 7.684 -6.842 -0.108 1.00 0.00 H new ATOM 0 HB THR A 152 6.666 -8.606 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.496 -8.045 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.320 -8.626 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.541 -7.610 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.385 -6.855 -1.795 1.00 0.00 H new ATOM 420 N GLY A 153 7.831 -4.595 -2.134 1.00 0.00 N ATOM 421 CA GLY A 153 8.598 -3.911 -3.157 1.00 0.00 C ATOM 422 C GLY A 153 10.078 -3.828 -2.825 1.00 0.00 C ATOM 423 O GLY A 153 10.462 -3.944 -1.662 1.00 0.00 O ATOM 0 H GLY A 153 7.283 -3.984 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.472 -4.430 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.203 -2.904 -3.289 1.00 0.00 H new ATOM 427 N PRO A 154 10.938 -3.620 -3.841 1.00 0.00 N ATOM 428 CA PRO A 154 12.392 -3.523 -3.656 1.00 0.00 C ATOM 429 C PRO A 154 12.783 -2.666 -2.457 1.00 0.00 C ATOM 430 O PRO A 154 12.739 -1.438 -2.516 1.00 0.00 O ATOM 431 CB PRO A 154 12.859 -2.872 -4.955 1.00 0.00 C ATOM 432 CG PRO A 154 11.875 -3.331 -5.974 1.00 0.00 C ATOM 433 CD PRO A 154 10.556 -3.457 -5.257 1.00 0.00 C ATOM 0 HA PRO A 154 12.842 -4.495 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.869 -1.785 -4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.872 -3.182 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.805 -2.619 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.177 -4.286 -6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.935 -2.574 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.985 -4.312 -5.618 1.00 0.00 H new ATOM 441 N GLY A 155 13.167 -3.327 -1.370 1.00 0.00 N ATOM 442 CA GLY A 155 13.562 -2.616 -0.170 1.00 0.00 C ATOM 443 C GLY A 155 12.444 -2.551 0.851 1.00 0.00 C ATOM 444 O GLY A 155 12.428 -1.667 1.708 1.00 0.00 O ATOM 0 H GLY A 155 13.211 -4.344 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.428 -3.108 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.870 -1.604 -0.434 1.00 0.00 H new ATOM 448 N GLY A 156 11.506 -3.488 0.760 1.00 0.00 N ATOM 449 CA GLY A 156 10.392 -3.515 1.686 1.00 0.00 C ATOM 450 C GLY A 156 9.396 -2.403 1.432 1.00 0.00 C ATOM 451 O GLY A 156 8.647 -2.023 2.331 1.00 0.00 O ATOM 0 H GLY A 156 11.499 -4.230 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.884 -4.477 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.770 -3.434 2.705 1.00 0.00 H new ATOM 455 N VAL A 157 9.386 -1.867 0.212 1.00 0.00 N ATOM 456 CA VAL A 157 8.470 -0.785 -0.116 1.00 0.00 C ATOM 457 C VAL A 157 7.113 -1.323 -0.545 1.00 0.00 C ATOM 458 O VAL A 157 7.018 -2.115 -1.482 1.00 0.00 O ATOM 459 CB VAL A 157 9.027 0.157 -1.224 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.522 -0.017 -1.412 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.312 -0.038 -2.557 1.00 0.00 C ATOM 0 H VAL A 157 9.994 -2.161 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 157 8.357 -0.200 0.797 1.00 0.00 H new ATOM 0 HB VAL A 157 8.836 1.174 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.871 0.658 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.035 0.213 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.735 -1.047 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.734 0.640 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.440 -1.067 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.250 0.174 -2.435 1.00 0.00 H new ATOM 471 N ILE A 158 6.056 -0.869 0.120 1.00 0.00 N ATOM 472 CA ILE A 158 4.719 -1.298 -0.245 1.00 0.00 C ATOM 473 C ILE A 158 4.452 -0.871 -1.677 1.00 0.00 C ATOM 474 O ILE A 158 4.369 0.318 -1.979 1.00 0.00 O ATOM 475 CB ILE A 158 3.641 -0.729 0.699 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.676 0.797 0.734 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.825 -1.284 2.101 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.350 1.403 1.122 1.00 0.00 C ATOM 0 H ILE A 158 6.101 -0.215 0.901 1.00 0.00 H new ATOM 0 HA ILE A 158 4.666 -2.383 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 158 2.668 -1.035 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.440 1.122 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.969 1.172 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.058 -0.875 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.740 -2.370 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.810 -1.006 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.435 2.490 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.589 1.104 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.067 1.054 2.115 1.00 0.00 H new ATOM 490 N THR A 159 4.372 -1.842 -2.568 1.00 0.00 N ATOM 491 CA THR A 159 4.176 -1.543 -3.972 1.00 0.00 C ATOM 492 C THR A 159 2.746 -1.127 -4.260 1.00 0.00 C ATOM 493 O THR A 159 1.825 -1.443 -3.510 1.00 0.00 O ATOM 494 CB THR A 159 4.588 -2.733 -4.833 1.00 0.00 C ATOM 495 OG1 THR A 159 3.991 -3.928 -4.365 1.00 0.00 O ATOM 496 CG2 THR A 159 6.087 -2.937 -4.852 1.00 0.00 C ATOM 0 H THR A 159 4.439 -2.835 -2.346 1.00 0.00 H new ATOM 0 HA THR A 159 4.814 -0.697 -4.227 1.00 0.00 H new ATOM 0 HB THR A 159 4.246 -2.505 -5.843 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.405 -4.190 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.329 -3.796 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.570 -2.047 -5.254 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.443 -3.116 -3.837 1.00 0.00 H new ATOM 504 N VAL A 160 2.579 -0.394 -5.346 1.00 0.00 N ATOM 505 CA VAL A 160 1.269 0.098 -5.738 1.00 0.00 C ATOM 506 C VAL A 160 0.267 -1.035 -5.867 1.00 0.00 C ATOM 507 O VAL A 160 -0.886 -0.906 -5.458 1.00 0.00 O ATOM 508 CB VAL A 160 1.308 0.878 -7.064 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.322 2.014 -6.987 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.705 1.405 -7.375 1.00 0.00 C ATOM 0 H VAL A 160 3.336 -0.125 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 160 0.956 0.776 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 160 1.038 0.200 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.340 2.575 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.679 1.616 -6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.591 2.674 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.687 1.949 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 160 3.028 2.074 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.401 0.569 -7.451 1.00 0.00 H new ATOM 520 N GLU A 161 0.715 -2.146 -6.427 1.00 0.00 N ATOM 521 CA GLU A 161 -0.144 -3.304 -6.600 1.00 0.00 C ATOM 522 C GLU A 161 -0.536 -3.870 -5.248 1.00 0.00 C ATOM 523 O GLU A 161 -1.608 -4.457 -5.089 1.00 0.00 O ATOM 524 CB GLU A 161 0.554 -4.373 -7.443 1.00 0.00 C ATOM 525 CG GLU A 161 0.144 -4.360 -8.906 1.00 0.00 C ATOM 526 CD GLU A 161 -0.010 -5.755 -9.480 1.00 0.00 C ATOM 527 OE1 GLU A 161 -1.079 -6.367 -9.272 1.00 0.00 O ATOM 528 OE2 GLU A 161 0.937 -6.235 -10.137 1.00 0.00 O ATOM 0 H GLU A 161 1.668 -2.270 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.046 -2.990 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.632 -4.230 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.336 -5.355 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.798 -3.822 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.889 -3.813 -9.484 1.00 0.00 H new ATOM 535 N ASP A 162 0.332 -3.673 -4.267 1.00 0.00 N ATOM 536 CA ASP A 162 0.068 -4.150 -2.924 1.00 0.00 C ATOM 537 C ASP A 162 -1.072 -3.354 -2.309 1.00 0.00 C ATOM 538 O ASP A 162 -2.103 -3.903 -1.920 1.00 0.00 O ATOM 539 CB ASP A 162 1.318 -4.002 -2.050 1.00 0.00 C ATOM 540 CG ASP A 162 2.421 -4.980 -2.408 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.117 -6.011 -3.044 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.592 -4.712 -2.051 1.00 0.00 O ATOM 0 H ASP A 162 1.222 -3.187 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.207 -5.203 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.699 -2.985 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.041 -4.144 -1.005 1.00 0.00 H new ATOM 547 N VAL A 163 -0.883 -2.044 -2.240 1.00 0.00 N ATOM 548 CA VAL A 163 -1.896 -1.167 -1.667 1.00 0.00 C ATOM 549 C VAL A 163 -3.215 -1.327 -2.407 1.00 0.00 C ATOM 550 O VAL A 163 -4.280 -1.358 -1.796 1.00 0.00 O ATOM 551 CB VAL A 163 -1.496 0.328 -1.689 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.801 0.974 -0.347 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.036 0.537 -2.057 1.00 0.00 C ATOM 0 H VAL A 163 -0.044 -1.567 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 163 -1.997 -1.469 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.091 0.807 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.515 2.025 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.868 0.894 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.239 0.467 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.190 1.603 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.599 0.032 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.152 0.126 -3.049 1.00 0.00 H new ATOM 563 N LYS A 164 -3.134 -1.431 -3.728 1.00 0.00 N ATOM 564 CA LYS A 164 -4.321 -1.592 -4.551 1.00 0.00 C ATOM 565 C LYS A 164 -5.098 -2.840 -4.147 1.00 0.00 C ATOM 566 O LYS A 164 -6.323 -2.811 -4.030 1.00 0.00 O ATOM 567 CB LYS A 164 -3.925 -1.655 -6.030 1.00 0.00 C ATOM 568 CG LYS A 164 -4.063 -3.031 -6.654 1.00 0.00 C ATOM 569 CD LYS A 164 -3.651 -3.029 -8.117 1.00 0.00 C ATOM 570 CE LYS A 164 -4.615 -3.839 -8.969 1.00 0.00 C ATOM 571 NZ LYS A 164 -4.157 -5.246 -9.141 1.00 0.00 N ATOM 0 H LYS A 164 -2.258 -1.406 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 164 -4.971 -0.731 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.541 -0.951 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -2.891 -1.324 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.448 -3.743 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.096 -3.368 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.613 -2.003 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.646 -3.439 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -5.602 -3.833 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -4.718 -3.369 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -4.612 -5.659 -9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -3.124 -5.262 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -4.415 -5.800 -8.300 1.00 0.00 H new