USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 MET CE :methyl 173:sc= -3.78! (180deg=-3.94) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -176:sc= -0.0477 (180deg=-0.0599) USER MOD Single : A 150 LYS NZ :NH3+ 146:sc= -0.236 (180deg=-1.38!) USER MOD Single : A 152 THR OG1 : rot 55:sc= 1.08 USER MOD Single : A 159 THR OG1 : rot -94:sc= -0.462 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ALA A 130 9.303 0.243 4.205 1.00 0.00 N ATOM 77 CA ALA A 130 9.382 1.136 3.059 1.00 0.00 C ATOM 78 C ALA A 130 8.020 1.286 2.400 1.00 0.00 C ATOM 79 O ALA A 130 7.190 0.377 2.447 1.00 0.00 O ATOM 80 CB ALA A 130 10.400 0.630 2.047 1.00 0.00 C ATOM 0 HA ALA A 130 9.706 2.113 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.441 1.314 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.382 0.574 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.106 -0.361 1.700 1.00 0.00 H new ATOM 86 N ALA A 131 7.796 2.435 1.780 1.00 0.00 N ATOM 87 CA ALA A 131 6.537 2.703 1.104 1.00 0.00 C ATOM 88 C ALA A 131 6.740 3.660 -0.062 1.00 0.00 C ATOM 89 O ALA A 131 6.758 4.877 0.122 1.00 0.00 O ATOM 90 CB ALA A 131 5.521 3.268 2.084 1.00 0.00 C ATOM 0 H ALA A 131 8.472 3.198 1.731 1.00 0.00 H new ATOM 0 HA ALA A 131 6.155 1.762 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.583 3.464 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.348 2.549 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.902 4.197 2.507 1.00 0.00 H new ATOM 96 N MET A 132 6.895 3.109 -1.266 1.00 0.00 N ATOM 97 CA MET A 132 7.097 3.930 -2.459 1.00 0.00 C ATOM 98 C MET A 132 6.091 5.087 -2.499 1.00 0.00 C ATOM 99 O MET A 132 5.134 5.111 -1.727 1.00 0.00 O ATOM 100 CB MET A 132 6.991 3.074 -3.726 1.00 0.00 C ATOM 101 CG MET A 132 5.710 2.262 -3.823 1.00 0.00 C ATOM 102 SD MET A 132 5.479 1.531 -5.455 1.00 0.00 S ATOM 103 CE MET A 132 6.820 0.344 -5.486 1.00 0.00 C ATOM 0 H MET A 132 6.885 2.104 -1.440 1.00 0.00 H new ATOM 0 HA MET A 132 8.100 4.355 -2.416 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.063 3.725 -4.598 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.843 2.395 -3.764 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.727 1.471 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.859 2.903 -3.591 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.737 -0.275 -6.379 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.773 0.872 -5.498 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.767 -0.289 -4.600 1.00 0.00 H new ATOM 113 N PRO A 133 6.306 6.074 -3.387 1.00 0.00 N ATOM 114 CA PRO A 133 5.423 7.246 -3.503 1.00 0.00 C ATOM 115 C PRO A 133 4.023 6.888 -3.984 1.00 0.00 C ATOM 116 O PRO A 133 3.027 7.329 -3.409 1.00 0.00 O ATOM 117 CB PRO A 133 6.130 8.136 -4.537 1.00 0.00 C ATOM 118 CG PRO A 133 7.522 7.610 -4.627 1.00 0.00 C ATOM 119 CD PRO A 133 7.423 6.141 -4.338 1.00 0.00 C ATOM 0 HA PRO A 133 5.273 7.726 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.629 8.089 -5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.124 9.181 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 133 7.943 7.786 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.175 8.107 -3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.222 5.563 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.345 5.750 -3.908 1.00 0.00 H new ATOM 127 N ALA A 134 3.951 6.096 -5.044 1.00 0.00 N ATOM 128 CA ALA A 134 2.672 5.685 -5.609 1.00 0.00 C ATOM 129 C ALA A 134 1.774 5.043 -4.554 1.00 0.00 C ATOM 130 O ALA A 134 0.610 5.420 -4.396 1.00 0.00 O ATOM 131 CB ALA A 134 2.908 4.725 -6.766 1.00 0.00 C ATOM 0 H ALA A 134 4.766 5.724 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 134 2.159 6.573 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.950 4.419 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.500 5.221 -7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.443 3.846 -6.406 1.00 0.00 H new ATOM 137 N ALA A 135 2.324 4.072 -3.834 1.00 0.00 N ATOM 138 CA ALA A 135 1.581 3.370 -2.795 1.00 0.00 C ATOM 139 C ALA A 135 1.310 4.277 -1.603 1.00 0.00 C ATOM 140 O ALA A 135 0.275 4.166 -0.945 1.00 0.00 O ATOM 141 CB ALA A 135 2.339 2.129 -2.362 1.00 0.00 C ATOM 0 H ALA A 135 3.285 3.752 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 135 0.618 3.069 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.776 1.611 -1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.471 1.466 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.315 2.417 -1.972 1.00 0.00 H new ATOM 147 N ARG A 136 2.241 5.182 -1.335 1.00 0.00 N ATOM 148 CA ARG A 136 2.101 6.118 -0.230 1.00 0.00 C ATOM 149 C ARG A 136 1.004 7.126 -0.528 1.00 0.00 C ATOM 150 O ARG A 136 0.134 7.388 0.302 1.00 0.00 O ATOM 151 CB ARG A 136 3.419 6.845 0.005 1.00 0.00 C ATOM 152 CG ARG A 136 4.250 6.237 1.119 1.00 0.00 C ATOM 153 CD ARG A 136 5.334 7.190 1.596 1.00 0.00 C ATOM 154 NE ARG A 136 5.887 6.784 2.886 1.00 0.00 N ATOM 155 CZ ARG A 136 6.848 7.450 3.523 1.00 0.00 C ATOM 156 NH1 ARG A 136 7.359 8.556 2.997 1.00 0.00 N ATOM 157 NH2 ARG A 136 7.296 7.009 4.690 1.00 0.00 N ATOM 0 H ARG A 136 3.103 5.287 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 136 1.833 5.561 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.000 6.837 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.213 7.888 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.602 5.975 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.707 5.312 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 136 6.133 7.231 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.923 8.196 1.678 1.00 0.00 H new ATOM 0 HE ARG A 136 5.515 5.941 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 136 7.016 8.900 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.095 9.062 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.905 6.160 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 136 8.032 7.518 5.179 1.00 0.00 H new ATOM 171 N ARG A 137 1.059 7.684 -1.728 1.00 0.00 N ATOM 172 CA ARG A 137 0.079 8.668 -2.168 1.00 0.00 C ATOM 173 C ARG A 137 -1.330 8.096 -2.100 1.00 0.00 C ATOM 174 O ARG A 137 -2.215 8.669 -1.464 1.00 0.00 O ATOM 175 CB ARG A 137 0.381 9.113 -3.597 1.00 0.00 C ATOM 176 CG ARG A 137 -0.550 10.203 -4.103 1.00 0.00 C ATOM 177 CD ARG A 137 0.218 11.326 -4.784 1.00 0.00 C ATOM 178 NE ARG A 137 0.477 11.036 -6.192 1.00 0.00 N ATOM 179 CZ ARG A 137 0.803 11.961 -7.091 1.00 0.00 C ATOM 180 NH1 ARG A 137 0.912 13.234 -6.734 1.00 0.00 N ATOM 181 NH2 ARG A 137 1.022 11.613 -8.352 1.00 0.00 N ATOM 0 H ARG A 137 1.777 7.471 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 137 0.141 9.528 -1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.409 9.472 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.312 8.251 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.266 9.774 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.124 10.608 -3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -0.349 12.254 -4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.164 11.484 -4.266 1.00 0.00 H new ATOM 0 HE ARG A 137 0.404 10.068 -6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.746 13.508 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 137 1.162 13.939 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 137 0.940 10.636 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.272 12.323 -9.041 1.00 0.00 H new ATOM 195 N LEU A 138 -1.531 6.960 -2.758 1.00 0.00 N ATOM 196 CA LEU A 138 -2.826 6.312 -2.772 1.00 0.00 C ATOM 197 C LEU A 138 -3.229 5.891 -1.364 1.00 0.00 C ATOM 198 O LEU A 138 -4.383 6.033 -0.976 1.00 0.00 O ATOM 199 CB LEU A 138 -2.782 5.099 -3.697 1.00 0.00 C ATOM 200 CG LEU A 138 -1.893 3.960 -3.223 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.635 3.081 -2.234 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.416 3.144 -4.410 1.00 0.00 C ATOM 0 H LEU A 138 -0.809 6.472 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.570 7.017 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.796 4.720 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.439 5.423 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.024 4.381 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.983 2.272 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.936 3.677 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.520 2.662 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.780 2.331 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.276 2.731 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.849 3.783 -5.086 1.00 0.00 H new ATOM 214 N ALA A 139 -2.269 5.370 -0.603 1.00 0.00 N ATOM 215 CA ALA A 139 -2.535 4.931 0.763 1.00 0.00 C ATOM 216 C ALA A 139 -3.098 6.072 1.602 1.00 0.00 C ATOM 217 O ALA A 139 -3.998 5.873 2.419 1.00 0.00 O ATOM 218 CB ALA A 139 -1.265 4.381 1.396 1.00 0.00 C ATOM 0 H ALA A 139 -1.304 5.242 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.282 4.138 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.477 4.057 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.906 3.533 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.501 5.159 1.414 1.00 0.00 H new ATOM 224 N LYS A 140 -2.564 7.272 1.390 1.00 0.00 N ATOM 225 CA LYS A 140 -3.015 8.448 2.122 1.00 0.00 C ATOM 226 C LYS A 140 -4.344 8.952 1.567 1.00 0.00 C ATOM 227 O LYS A 140 -5.156 9.525 2.296 1.00 0.00 O ATOM 228 CB LYS A 140 -1.961 9.556 2.050 1.00 0.00 C ATOM 229 CG LYS A 140 -1.326 9.878 3.394 1.00 0.00 C ATOM 230 CD LYS A 140 -1.218 11.380 3.618 1.00 0.00 C ATOM 231 CE LYS A 140 0.192 11.886 3.356 1.00 0.00 C ATOM 232 NZ LYS A 140 0.245 12.799 2.181 1.00 0.00 N ATOM 0 H LYS A 140 -1.819 7.454 0.717 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.160 8.166 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.180 9.259 1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.421 10.459 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.918 9.432 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -0.334 9.430 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.918 11.897 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.506 11.617 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.560 12.409 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 140 0.856 11.038 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 1.223 13.122 2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.082 12.293 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -0.369 13.621 2.352 1.00 0.00 H new ATOM 246 N GLU A 141 -4.562 8.734 0.274 1.00 0.00 N ATOM 247 CA GLU A 141 -5.797 9.165 -0.375 1.00 0.00 C ATOM 248 C GLU A 141 -6.914 8.141 -0.168 1.00 0.00 C ATOM 249 O GLU A 141 -8.090 8.444 -0.368 1.00 0.00 O ATOM 250 CB GLU A 141 -5.557 9.386 -1.872 1.00 0.00 C ATOM 251 CG GLU A 141 -6.808 9.779 -2.641 1.00 0.00 C ATOM 252 CD GLU A 141 -6.566 9.882 -4.134 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.445 10.264 -4.529 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.498 9.579 -4.909 1.00 0.00 O ATOM 0 H GLU A 141 -3.902 8.263 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.109 10.105 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.804 10.164 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.148 8.473 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.591 9.044 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.173 10.736 -2.269 1.00 0.00 H new ATOM 261 N LEU A 142 -6.537 6.929 0.231 1.00 0.00 N ATOM 262 CA LEU A 142 -7.496 5.861 0.464 1.00 0.00 C ATOM 263 C LEU A 142 -7.833 5.753 1.946 1.00 0.00 C ATOM 264 O LEU A 142 -8.935 5.344 2.315 1.00 0.00 O ATOM 265 CB LEU A 142 -6.925 4.535 -0.041 1.00 0.00 C ATOM 266 CG LEU A 142 -7.073 4.298 -1.546 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.790 3.726 -2.129 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.247 3.373 -1.824 1.00 0.00 C ATOM 0 H LEU A 142 -5.567 6.664 0.400 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.412 6.091 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.867 4.491 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.416 3.720 0.490 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.267 5.256 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.917 3.565 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.971 4.425 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.561 2.777 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.339 3.214 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.082 2.416 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.164 3.824 -1.444 1.00 0.00 H new ATOM 280 N GLY A 143 -6.881 6.131 2.792 1.00 0.00 N ATOM 281 CA GLY A 143 -7.097 6.078 4.225 1.00 0.00 C ATOM 282 C GLY A 143 -6.669 4.759 4.839 1.00 0.00 C ATOM 283 O GLY A 143 -7.279 4.294 5.802 1.00 0.00 O ATOM 0 H GLY A 143 -5.963 6.474 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.546 6.890 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.154 6.244 4.434 1.00 0.00 H new ATOM 287 N ILE A 144 -5.618 4.154 4.292 1.00 0.00 N ATOM 288 CA ILE A 144 -5.123 2.884 4.812 1.00 0.00 C ATOM 289 C ILE A 144 -3.708 3.021 5.363 1.00 0.00 C ATOM 290 O ILE A 144 -2.903 3.800 4.852 1.00 0.00 O ATOM 291 CB ILE A 144 -5.131 1.771 3.740 1.00 0.00 C ATOM 292 CG1 ILE A 144 -4.933 0.411 4.419 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.052 2.021 2.685 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.588 -0.718 3.472 1.00 0.00 C ATOM 0 H ILE A 144 -5.097 4.520 3.495 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.804 2.604 5.616 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.093 1.775 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.140 0.501 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -5.845 0.151 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.078 1.224 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.235 2.978 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.073 2.039 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.466 -1.642 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -5.390 -0.841 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.659 -0.485 2.952 1.00 0.00 H new ATOM 306 N ASP A 145 -3.408 2.244 6.398 1.00 0.00 N ATOM 307 CA ASP A 145 -2.087 2.265 7.006 1.00 0.00 C ATOM 308 C ASP A 145 -1.129 1.407 6.189 1.00 0.00 C ATOM 309 O ASP A 145 -1.141 0.180 6.289 1.00 0.00 O ATOM 310 CB ASP A 145 -2.154 1.742 8.443 1.00 0.00 C ATOM 311 CG ASP A 145 -1.373 2.608 9.410 1.00 0.00 C ATOM 312 OD1 ASP A 145 -1.224 3.818 9.138 1.00 0.00 O ATOM 313 OD2 ASP A 145 -0.907 2.075 10.439 1.00 0.00 O ATOM 0 H ASP A 145 -4.063 1.593 6.832 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.725 3.293 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.195 1.695 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -1.765 0.724 8.475 1.00 0.00 H new ATOM 318 N ALA A 146 -0.306 2.055 5.370 1.00 0.00 N ATOM 319 CA ALA A 146 0.649 1.342 4.529 1.00 0.00 C ATOM 320 C ALA A 146 1.421 0.297 5.329 1.00 0.00 C ATOM 321 O ALA A 146 1.755 -0.769 4.813 1.00 0.00 O ATOM 322 CB ALA A 146 1.600 2.319 3.860 1.00 0.00 C ATOM 0 H ALA A 146 -0.281 3.070 5.271 1.00 0.00 H new ATOM 0 HA ALA A 146 0.089 0.818 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 146 2.306 1.770 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.032 3.013 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 146 2.146 2.875 4.622 1.00 0.00 H new ATOM 328 N SER A 147 1.689 0.599 6.597 1.00 0.00 N ATOM 329 CA SER A 147 2.406 -0.331 7.459 1.00 0.00 C ATOM 330 C SER A 147 1.590 -1.599 7.648 1.00 0.00 C ATOM 331 O SER A 147 2.138 -2.701 7.706 1.00 0.00 O ATOM 332 CB SER A 147 2.706 0.308 8.815 1.00 0.00 C ATOM 333 OG SER A 147 3.314 -0.623 9.694 1.00 0.00 O ATOM 0 H SER A 147 1.422 1.475 7.046 1.00 0.00 H new ATOM 0 HA SER A 147 3.353 -0.583 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 147 3.363 1.167 8.678 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.782 0.681 9.257 1.00 0.00 H new ATOM 0 HG SER A 147 3.497 -0.190 10.554 1.00 0.00 H new ATOM 339 N LYS A 148 0.273 -1.441 7.713 1.00 0.00 N ATOM 340 CA LYS A 148 -0.615 -2.580 7.858 1.00 0.00 C ATOM 341 C LYS A 148 -0.618 -3.380 6.556 1.00 0.00 C ATOM 342 O LYS A 148 -0.964 -4.562 6.532 1.00 0.00 O ATOM 343 CB LYS A 148 -2.024 -2.107 8.245 1.00 0.00 C ATOM 344 CG LYS A 148 -2.994 -2.000 7.082 1.00 0.00 C ATOM 345 CD LYS A 148 -3.611 -3.349 6.775 1.00 0.00 C ATOM 346 CE LYS A 148 -5.016 -3.464 7.347 1.00 0.00 C ATOM 347 NZ LYS A 148 -5.018 -3.369 8.833 1.00 0.00 N ATOM 0 H LYS A 148 -0.199 -0.538 7.667 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.263 -3.231 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.435 -2.797 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -1.947 -1.133 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.778 -1.282 7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.474 -1.623 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.643 -3.498 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.984 -4.139 7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.643 -2.675 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.456 -4.414 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.983 -3.519 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.386 -4.095 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.686 -2.427 9.121 1.00 0.00 H new ATOM 361 N VAL A 149 -0.200 -2.717 5.478 1.00 0.00 N ATOM 362 CA VAL A 149 -0.116 -3.334 4.165 1.00 0.00 C ATOM 363 C VAL A 149 1.291 -3.880 3.932 1.00 0.00 C ATOM 364 O VAL A 149 2.154 -3.188 3.396 1.00 0.00 O ATOM 365 CB VAL A 149 -0.466 -2.312 3.061 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.113 -2.840 1.678 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.937 -1.943 3.133 1.00 0.00 C ATOM 0 H VAL A 149 0.088 -1.739 5.496 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.833 -4.154 4.124 1.00 0.00 H new ATOM 0 HB VAL A 149 0.131 -1.416 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.373 -2.094 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.956 -3.047 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.669 -3.758 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.170 -1.222 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.544 -2.838 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.155 -1.504 4.107 1.00 0.00 H new ATOM 377 N LYS A 150 1.517 -5.121 4.351 1.00 0.00 N ATOM 378 CA LYS A 150 2.822 -5.761 4.203 1.00 0.00 C ATOM 379 C LYS A 150 3.336 -5.646 2.770 1.00 0.00 C ATOM 380 O LYS A 150 3.006 -6.465 1.912 1.00 0.00 O ATOM 381 CB LYS A 150 2.736 -7.233 4.609 1.00 0.00 C ATOM 382 CG LYS A 150 4.042 -7.995 4.443 1.00 0.00 C ATOM 383 CD LYS A 150 4.975 -7.763 5.622 1.00 0.00 C ATOM 384 CE LYS A 150 5.012 -8.966 6.551 1.00 0.00 C ATOM 385 NZ LYS A 150 5.315 -10.225 5.816 1.00 0.00 N ATOM 0 H LYS A 150 0.811 -5.706 4.798 1.00 0.00 H new ATOM 0 HA LYS A 150 3.524 -5.246 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.420 -7.295 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 150 1.964 -7.720 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 150 3.833 -9.060 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 150 4.533 -7.682 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.980 -7.554 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.649 -6.884 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 150 5.765 -8.806 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 150 4.052 -9.063 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.876 -10.855 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 4.426 -10.697 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 5.855 -10.003 4.955 1.00 0.00 H new ATOM 399 N GLY A 151 4.146 -4.621 2.523 1.00 0.00 N ATOM 400 CA GLY A 151 4.699 -4.407 1.201 1.00 0.00 C ATOM 401 C GLY A 151 5.805 -5.387 0.859 1.00 0.00 C ATOM 402 O GLY A 151 6.601 -5.760 1.719 1.00 0.00 O ATOM 0 H GLY A 151 4.429 -3.932 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.903 -4.492 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.088 -3.391 1.135 1.00 0.00 H new ATOM 406 N THR A 152 5.853 -5.799 -0.404 1.00 0.00 N ATOM 407 CA THR A 152 6.872 -6.740 -0.864 1.00 0.00 C ATOM 408 C THR A 152 7.751 -6.114 -1.950 1.00 0.00 C ATOM 409 O THR A 152 8.499 -6.813 -2.634 1.00 0.00 O ATOM 410 CB THR A 152 6.219 -8.034 -1.381 1.00 0.00 C ATOM 411 OG1 THR A 152 6.568 -8.285 -2.731 1.00 0.00 O ATOM 412 CG2 THR A 152 4.706 -8.025 -1.300 1.00 0.00 C ATOM 0 H THR A 152 5.200 -5.497 -1.127 1.00 0.00 H new ATOM 0 HA THR A 152 7.509 -6.987 -0.014 1.00 0.00 H new ATOM 0 HB THR A 152 6.601 -8.815 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.544 -8.299 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.316 -8.969 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.398 -7.898 -0.262 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.315 -7.202 -1.898 1.00 0.00 H new ATOM 420 N GLY A 153 7.655 -4.796 -2.108 1.00 0.00 N ATOM 421 CA GLY A 153 8.445 -4.112 -3.116 1.00 0.00 C ATOM 422 C GLY A 153 9.928 -4.081 -2.783 1.00 0.00 C ATOM 423 O GLY A 153 10.304 -4.129 -1.610 1.00 0.00 O ATOM 0 H GLY A 153 7.046 -4.191 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.304 -4.605 -4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.081 -3.091 -3.225 1.00 0.00 H new ATOM 427 N PRO A 154 10.797 -3.994 -3.808 1.00 0.00 N ATOM 428 CA PRO A 154 12.253 -3.957 -3.623 1.00 0.00 C ATOM 429 C PRO A 154 12.684 -3.011 -2.509 1.00 0.00 C ATOM 430 O PRO A 154 12.625 -1.791 -2.657 1.00 0.00 O ATOM 431 CB PRO A 154 12.758 -3.459 -4.976 1.00 0.00 C ATOM 432 CG PRO A 154 11.746 -3.945 -5.953 1.00 0.00 C ATOM 433 CD PRO A 154 10.422 -3.917 -5.233 1.00 0.00 C ATOM 0 HA PRO A 154 12.651 -4.928 -3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.838 -2.372 -4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.748 -3.855 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.722 -3.309 -6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.984 -4.953 -6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.866 -3.005 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.789 -4.754 -5.526 1.00 0.00 H new ATOM 441 N GLY A 155 13.117 -3.585 -1.394 1.00 0.00 N ATOM 442 CA GLY A 155 13.550 -2.784 -0.266 1.00 0.00 C ATOM 443 C GLY A 155 12.466 -2.636 0.783 1.00 0.00 C ATOM 444 O GLY A 155 12.521 -1.736 1.621 1.00 0.00 O ATOM 0 H GLY A 155 13.176 -4.593 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.430 -3.242 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.850 -1.797 -0.618 1.00 0.00 H new ATOM 448 N GLY A 156 11.474 -3.523 0.736 1.00 0.00 N ATOM 449 CA GLY A 156 10.388 -3.470 1.692 1.00 0.00 C ATOM 450 C GLY A 156 9.399 -2.364 1.390 1.00 0.00 C ATOM 451 O GLY A 156 8.680 -1.913 2.282 1.00 0.00 O ATOM 0 H GLY A 156 11.406 -4.276 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.866 -4.427 1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.796 -3.324 2.692 1.00 0.00 H new ATOM 455 N VAL A 157 9.363 -1.910 0.139 1.00 0.00 N ATOM 456 CA VAL A 157 8.450 -0.841 -0.236 1.00 0.00 C ATOM 457 C VAL A 157 7.088 -1.400 -0.618 1.00 0.00 C ATOM 458 O VAL A 157 6.983 -2.253 -1.500 1.00 0.00 O ATOM 459 CB VAL A 157 8.996 0.031 -1.406 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.483 -0.173 -1.616 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.250 -0.229 -2.711 1.00 0.00 C ATOM 0 H VAL A 157 9.947 -2.261 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 157 8.353 -0.202 0.641 1.00 0.00 H new ATOM 0 HB VAL A 157 8.826 1.068 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.823 0.453 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.020 0.100 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.677 -1.220 -1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.664 0.401 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.359 -1.277 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.193 0.004 -2.579 1.00 0.00 H new ATOM 471 N ILE A 158 6.041 -0.899 0.021 1.00 0.00 N ATOM 472 CA ILE A 158 4.701 -1.345 -0.304 1.00 0.00 C ATOM 473 C ILE A 158 4.373 -0.895 -1.715 1.00 0.00 C ATOM 474 O ILE A 158 4.271 0.297 -1.993 1.00 0.00 O ATOM 475 CB ILE A 158 3.649 -0.815 0.692 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.598 0.712 0.690 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.949 -1.325 2.092 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.278 1.254 1.182 1.00 0.00 C ATOM 0 H ILE A 158 6.094 -0.194 0.756 1.00 0.00 H new ATOM 0 HA ILE A 158 4.671 -2.432 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 158 2.673 -1.184 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.401 1.099 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.781 1.076 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.200 -0.944 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.926 -2.415 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.937 -0.982 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.300 2.344 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.475 0.894 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.104 0.917 2.204 1.00 0.00 H new ATOM 490 N THR A 159 4.260 -1.850 -2.622 1.00 0.00 N ATOM 491 CA THR A 159 3.998 -1.526 -4.011 1.00 0.00 C ATOM 492 C THR A 159 2.552 -1.115 -4.223 1.00 0.00 C ATOM 493 O THR A 159 1.665 -1.455 -3.440 1.00 0.00 O ATOM 494 CB THR A 159 4.369 -2.706 -4.905 1.00 0.00 C ATOM 495 OG1 THR A 159 3.587 -3.845 -4.591 1.00 0.00 O ATOM 496 CG2 THR A 159 5.827 -3.097 -4.778 1.00 0.00 C ATOM 0 H THR A 159 4.345 -2.847 -2.423 1.00 0.00 H new ATOM 0 HA THR A 159 4.619 -0.673 -4.284 1.00 0.00 H new ATOM 0 HB THR A 159 4.177 -2.375 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.074 -4.411 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.036 -3.941 -5.435 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.456 -2.253 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.040 -3.379 -3.747 1.00 0.00 H new ATOM 504 N VAL A 160 2.326 -0.361 -5.286 1.00 0.00 N ATOM 505 CA VAL A 160 0.991 0.123 -5.606 1.00 0.00 C ATOM 506 C VAL A 160 -0.003 -1.024 -5.679 1.00 0.00 C ATOM 507 O VAL A 160 -1.117 -0.933 -5.165 1.00 0.00 O ATOM 508 CB VAL A 160 0.953 0.907 -6.933 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.058 2.109 -6.770 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.344 1.342 -7.378 1.00 0.00 C ATOM 0 H VAL A 160 3.050 -0.070 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 160 0.712 0.801 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 160 0.559 0.249 -7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.026 2.668 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.948 1.781 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.448 2.748 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.271 1.891 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.786 1.984 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 160 2.972 0.463 -7.520 1.00 0.00 H new ATOM 520 N GLU A 161 0.417 -2.108 -6.309 1.00 0.00 N ATOM 521 CA GLU A 161 -0.421 -3.289 -6.442 1.00 0.00 C ATOM 522 C GLU A 161 -0.717 -3.876 -5.071 1.00 0.00 C ATOM 523 O GLU A 161 -1.748 -4.518 -4.864 1.00 0.00 O ATOM 524 CB GLU A 161 0.264 -4.333 -7.326 1.00 0.00 C ATOM 525 CG GLU A 161 -0.096 -4.215 -8.797 1.00 0.00 C ATOM 526 CD GLU A 161 1.018 -3.599 -9.622 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.578 -2.570 -9.188 1.00 0.00 O ATOM 528 OE2 GLU A 161 1.333 -4.147 -10.699 1.00 0.00 O ATOM 0 H GLU A 161 1.338 -2.195 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.360 -2.999 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.344 -4.237 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.005 -5.329 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.330 -5.204 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.997 -3.610 -8.900 1.00 0.00 H new ATOM 535 N ASP A 162 0.199 -3.648 -4.136 1.00 0.00 N ATOM 536 CA ASP A 162 0.048 -4.150 -2.777 1.00 0.00 C ATOM 537 C ASP A 162 -1.055 -3.396 -2.043 1.00 0.00 C ATOM 538 O ASP A 162 -1.928 -4.002 -1.418 1.00 0.00 O ATOM 539 CB ASP A 162 1.366 -4.019 -2.011 1.00 0.00 C ATOM 540 CG ASP A 162 2.406 -5.029 -2.452 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.016 -6.091 -2.981 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.613 -4.758 -2.266 1.00 0.00 O ATOM 0 H ASP A 162 1.055 -3.117 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.227 -5.203 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.762 -3.013 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.175 -4.143 -0.945 1.00 0.00 H new ATOM 547 N VAL A 163 -1.012 -2.071 -2.124 1.00 0.00 N ATOM 548 CA VAL A 163 -2.018 -1.243 -1.462 1.00 0.00 C ATOM 549 C VAL A 163 -3.355 -1.331 -2.191 1.00 0.00 C ATOM 550 O VAL A 163 -4.409 -1.414 -1.563 1.00 0.00 O ATOM 551 CB VAL A 163 -1.614 0.249 -1.366 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.898 0.792 0.028 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.157 0.481 -1.739 1.00 0.00 C ATOM 0 H VAL A 163 -0.300 -1.550 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.103 -1.638 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.222 0.790 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.608 1.841 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.962 0.700 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.328 0.224 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.075 1.543 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.486 -0.085 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.013 0.152 -2.764 1.00 0.00 H new ATOM 563 N LYS A 164 -3.306 -1.304 -3.520 1.00 0.00 N ATOM 564 CA LYS A 164 -4.516 -1.373 -4.331 1.00 0.00 C ATOM 565 C LYS A 164 -5.286 -2.660 -4.056 1.00 0.00 C ATOM 566 O LYS A 164 -6.489 -2.633 -3.797 1.00 0.00 O ATOM 567 CB LYS A 164 -4.167 -1.243 -5.821 1.00 0.00 C ATOM 568 CG LYS A 164 -4.292 -2.533 -6.612 1.00 0.00 C ATOM 569 CD LYS A 164 -4.007 -2.313 -8.089 1.00 0.00 C ATOM 570 CE LYS A 164 -4.851 -3.227 -8.965 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.470 -2.491 -10.100 1.00 0.00 N ATOM 0 H LYS A 164 -2.442 -1.235 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.162 -0.539 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.818 -0.492 -6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.145 -0.874 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.599 -3.274 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.296 -2.939 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.208 -1.273 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.950 -2.493 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.229 -4.035 -9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -5.633 -3.688 -8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -6.037 -3.149 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -6.083 -1.736 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -4.723 -2.073 -10.691 1.00 0.00 H new