USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 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 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -161:sc= 0.00558 (180deg=-0.341) USER MOD Single : A 150 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.12) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.527 3.140 -5.291 1.00 0.00 N ATOM 82 CA ILE A 130 -6.247 3.237 -4.028 1.00 0.00 C ATOM 83 C ILE A 130 -5.331 2.929 -2.852 1.00 0.00 C ATOM 84 O ILE A 130 -4.845 1.808 -2.702 1.00 0.00 O ATOM 85 CB ILE A 130 -7.458 2.285 -3.992 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.336 2.508 -5.221 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.264 2.494 -2.718 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.101 1.501 -6.326 1.00 0.00 C ATOM 0 HA ILE A 130 -6.606 4.263 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.095 1.257 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.383 2.467 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.154 3.510 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.115 1.813 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.633 2.296 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.622 3.523 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.759 1.722 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.063 1.557 -6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.311 0.498 -5.955 1.00 0.00 H new ATOM 100 N ALA A 131 -5.098 3.937 -2.020 1.00 0.00 N ATOM 101 CA ALA A 131 -4.240 3.783 -0.853 1.00 0.00 C ATOM 102 C ALA A 131 -4.345 4.994 0.067 1.00 0.00 C ATOM 103 O ALA A 131 -4.526 6.122 -0.392 1.00 0.00 O ATOM 104 CB ALA A 131 -2.797 3.570 -1.285 1.00 0.00 C ATOM 0 H ALA A 131 -5.492 4.871 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.575 2.907 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.166 3.456 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.730 2.671 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.460 4.430 -1.864 1.00 0.00 H new ATOM 110 N MET A 132 -4.230 4.754 1.369 1.00 0.00 N ATOM 111 CA MET A 132 -4.312 5.827 2.355 1.00 0.00 C ATOM 112 C MET A 132 -3.251 6.893 2.088 1.00 0.00 C ATOM 113 O MET A 132 -2.258 6.635 1.407 1.00 0.00 O ATOM 114 CB MET A 132 -4.145 5.262 3.768 1.00 0.00 C ATOM 115 CG MET A 132 -5.456 5.129 4.528 1.00 0.00 C ATOM 116 SD MET A 132 -5.311 5.622 6.256 1.00 0.00 S ATOM 117 CE MET A 132 -6.635 4.669 6.993 1.00 0.00 C ATOM 0 H MET A 132 -4.080 3.827 1.766 1.00 0.00 H new ATOM 0 HA MET A 132 -5.295 6.291 2.272 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.670 4.283 3.705 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.472 5.908 4.332 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.216 5.741 4.042 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.798 4.095 4.477 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.673 4.867 8.064 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.584 4.952 6.538 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.455 3.607 6.827 1.00 0.00 H new ATOM 127 N PRO A 133 -3.447 8.108 2.625 1.00 0.00 N ATOM 128 CA PRO A 133 -2.501 9.214 2.442 1.00 0.00 C ATOM 129 C PRO A 133 -1.143 8.925 3.073 1.00 0.00 C ATOM 130 O PRO A 133 -0.124 9.474 2.656 1.00 0.00 O ATOM 131 CB PRO A 133 -3.179 10.393 3.149 1.00 0.00 C ATOM 132 CG PRO A 133 -4.136 9.770 4.106 1.00 0.00 C ATOM 133 CD PRO A 133 -4.601 8.500 3.452 1.00 0.00 C ATOM 0 HA PRO A 133 -2.293 9.398 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.449 11.014 3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.696 11.036 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.655 9.564 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.975 10.435 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.848 7.735 4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.494 8.661 2.848 1.00 0.00 H new ATOM 141 N SER A 134 -1.136 8.058 4.081 1.00 0.00 N ATOM 142 CA SER A 134 0.097 7.697 4.770 1.00 0.00 C ATOM 143 C SER A 134 0.747 6.478 4.123 1.00 0.00 C ATOM 144 O SER A 134 1.970 6.341 4.124 1.00 0.00 O ATOM 145 CB SER A 134 -0.182 7.416 6.247 1.00 0.00 C ATOM 146 OG SER A 134 0.898 7.841 7.061 1.00 0.00 O ATOM 0 H SER A 134 -1.970 7.593 4.438 1.00 0.00 H new ATOM 0 HA SER A 134 0.786 8.538 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.094 7.928 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.352 6.349 6.391 1.00 0.00 H new ATOM 0 HG SER A 134 0.694 7.652 8.001 1.00 0.00 H new ATOM 152 N VAL A 135 -0.079 5.592 3.574 1.00 0.00 N ATOM 153 CA VAL A 135 0.420 4.384 2.928 1.00 0.00 C ATOM 154 C VAL A 135 1.192 4.715 1.664 1.00 0.00 C ATOM 155 O VAL A 135 2.281 4.195 1.438 1.00 0.00 O ATOM 156 CB VAL A 135 -0.720 3.418 2.574 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.174 2.162 1.904 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.512 3.072 3.819 1.00 0.00 C ATOM 0 H VAL A 135 -1.094 5.688 3.564 1.00 0.00 H new ATOM 0 HA VAL A 135 1.085 3.902 3.644 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.388 3.907 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.998 1.491 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.351 2.437 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.516 1.659 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.318 2.386 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.855 2.599 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.933 3.982 4.247 1.00 0.00 H new ATOM 168 N ARG A 136 0.624 5.582 0.841 1.00 0.00 N ATOM 169 CA ARG A 136 1.273 5.975 -0.400 1.00 0.00 C ATOM 170 C ARG A 136 2.676 6.496 -0.112 1.00 0.00 C ATOM 171 O ARG A 136 3.578 6.370 -0.936 1.00 0.00 O ATOM 172 CB ARG A 136 0.451 7.050 -1.114 1.00 0.00 C ATOM 173 CG ARG A 136 -0.613 6.485 -2.043 1.00 0.00 C ATOM 174 CD ARG A 136 -1.988 7.055 -1.733 1.00 0.00 C ATOM 175 NE ARG A 136 -2.308 8.206 -2.575 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.469 8.855 -2.534 1.00 0.00 C ATOM 177 NH1 ARG A 136 -4.424 8.469 -1.695 1.00 0.00 N ATOM 178 NH2 ARG A 136 -3.678 9.892 -3.334 1.00 0.00 N ATOM 0 H ARG A 136 -0.280 6.025 1.008 1.00 0.00 H new ATOM 0 HA ARG A 136 1.344 5.102 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.029 7.684 -0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.123 7.687 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.350 6.709 -3.077 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.639 5.399 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.742 6.281 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.030 7.350 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.600 8.531 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.269 7.672 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.312 8.970 -1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.949 10.192 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.568 10.389 -3.302 1.00 0.00 H new ATOM 192 N LYS A 137 2.851 7.063 1.079 1.00 0.00 N ATOM 193 CA LYS A 137 4.140 7.587 1.502 1.00 0.00 C ATOM 194 C LYS A 137 5.053 6.450 1.933 1.00 0.00 C ATOM 195 O LYS A 137 6.235 6.420 1.591 1.00 0.00 O ATOM 196 CB LYS A 137 3.961 8.580 2.652 1.00 0.00 C ATOM 197 CG LYS A 137 5.261 9.222 3.108 1.00 0.00 C ATOM 198 CD LYS A 137 5.702 10.327 2.159 1.00 0.00 C ATOM 199 CE LYS A 137 5.561 11.700 2.797 1.00 0.00 C ATOM 200 NZ LYS A 137 4.307 12.384 2.376 1.00 0.00 N ATOM 0 H LYS A 137 2.109 7.170 1.770 1.00 0.00 H new ATOM 0 HA LYS A 137 4.596 8.107 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.268 9.362 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.503 8.066 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.134 9.631 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.040 8.463 3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.740 10.165 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.105 10.285 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.572 11.598 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.419 12.316 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.250 13.316 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.307 12.504 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 3.487 11.810 2.657 1.00 0.00 H new ATOM 214 N TYR A 138 4.489 5.521 2.698 1.00 0.00 N ATOM 215 CA TYR A 138 5.243 4.382 3.193 1.00 0.00 C ATOM 216 C TYR A 138 5.716 3.502 2.044 1.00 0.00 C ATOM 217 O TYR A 138 6.888 3.140 1.969 1.00 0.00 O ATOM 218 CB TYR A 138 4.372 3.567 4.138 1.00 0.00 C ATOM 219 CG TYR A 138 5.050 2.314 4.635 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.231 2.380 5.363 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.517 1.064 4.360 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.858 1.234 5.805 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.138 -0.084 4.798 1.00 0.00 C ATOM 224 CZ TYR A 138 6.308 0.003 5.521 1.00 0.00 C ATOM 225 OH TYR A 138 6.930 -1.144 5.958 1.00 0.00 O ATOM 0 H TYR A 138 3.511 5.537 2.987 1.00 0.00 H new ATOM 0 HA TYR A 138 6.119 4.752 3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.094 4.186 4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.448 3.295 3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.665 3.343 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.601 0.990 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.775 1.301 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.709 -1.050 4.576 1.00 0.00 H new ATOM 0 HH TYR A 138 6.412 -1.926 5.674 1.00 0.00 H new ATOM 235 N ALA A 139 4.802 3.186 1.136 1.00 0.00 N ATOM 236 CA ALA A 139 5.136 2.379 -0.025 1.00 0.00 C ATOM 237 C ALA A 139 6.103 3.153 -0.900 1.00 0.00 C ATOM 238 O ALA A 139 7.128 2.635 -1.329 1.00 0.00 O ATOM 239 CB ALA A 139 3.882 2.019 -0.808 1.00 0.00 C ATOM 0 H ALA A 139 3.825 3.477 1.183 1.00 0.00 H new ATOM 0 HA ALA A 139 5.602 1.450 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.154 1.415 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.204 1.453 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.388 2.931 -1.143 1.00 0.00 H new ATOM 245 N ARG A 140 5.773 4.415 -1.136 1.00 0.00 N ATOM 246 CA ARG A 140 6.617 5.285 -1.940 1.00 0.00 C ATOM 247 C ARG A 140 8.037 5.310 -1.378 1.00 0.00 C ATOM 248 O ARG A 140 9.009 5.450 -2.119 1.00 0.00 O ATOM 249 CB ARG A 140 6.030 6.700 -1.969 1.00 0.00 C ATOM 250 CG ARG A 140 6.899 7.716 -2.696 1.00 0.00 C ATOM 251 CD ARG A 140 6.433 7.923 -4.128 1.00 0.00 C ATOM 252 NE ARG A 140 6.331 9.339 -4.472 1.00 0.00 N ATOM 253 CZ ARG A 140 5.582 9.811 -5.466 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.871 8.983 -6.222 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.544 11.114 -5.707 1.00 0.00 N ATOM 0 H ARG A 140 4.926 4.859 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 140 6.655 4.899 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.051 6.666 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.873 7.038 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.873 8.666 -2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.935 7.378 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.129 7.434 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.463 7.446 -4.266 1.00 0.00 H new ATOM 0 HE ARG A 140 6.866 10.007 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.897 7.979 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.299 9.351 -6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.089 11.755 -5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.970 11.475 -6.469 1.00 0.00 H new ATOM 269 N GLU A 141 8.144 5.166 -0.059 1.00 0.00 N ATOM 270 CA GLU A 141 9.434 5.164 0.613 1.00 0.00 C ATOM 271 C GLU A 141 10.070 3.782 0.585 1.00 0.00 C ATOM 272 O GLU A 141 11.286 3.647 0.445 1.00 0.00 O ATOM 273 CB GLU A 141 9.269 5.626 2.060 1.00 0.00 C ATOM 274 CG GLU A 141 9.087 7.127 2.207 1.00 0.00 C ATOM 275 CD GLU A 141 10.400 7.883 2.145 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.317 7.421 1.436 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.509 8.936 2.807 1.00 0.00 O ATOM 0 H GLU A 141 7.346 5.049 0.565 1.00 0.00 H new ATOM 0 HA GLU A 141 10.091 5.852 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.408 5.120 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.144 5.318 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.427 7.488 1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.595 7.338 3.156 1.00 0.00 H new ATOM 284 N LYS A 142 9.241 2.755 0.739 1.00 0.00 N ATOM 285 CA LYS A 142 9.717 1.380 0.756 1.00 0.00 C ATOM 286 C LYS A 142 9.890 0.822 -0.658 1.00 0.00 C ATOM 287 O LYS A 142 9.930 -0.392 -0.844 1.00 0.00 O ATOM 288 CB LYS A 142 8.721 0.511 1.526 1.00 0.00 C ATOM 289 CG LYS A 142 8.722 0.687 3.046 1.00 0.00 C ATOM 290 CD LYS A 142 9.649 1.796 3.528 1.00 0.00 C ATOM 291 CE LYS A 142 11.075 1.299 3.694 1.00 0.00 C ATOM 292 NZ LYS A 142 12.071 2.297 3.213 1.00 0.00 N ATOM 0 H LYS A 142 8.232 2.852 0.854 1.00 0.00 H new ATOM 0 HA LYS A 142 10.692 1.366 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.719 0.724 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.929 -0.535 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.707 0.902 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.019 -0.252 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.631 2.621 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.286 2.187 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.262 1.077 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.201 0.366 3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.980 1.824 3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.731 2.729 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.198 3.036 3.934 1.00 0.00 H new ATOM 306 N GLY A 143 9.981 1.701 -1.654 1.00 0.00 N ATOM 307 CA GLY A 143 10.131 1.239 -3.025 1.00 0.00 C ATOM 308 C GLY A 143 8.925 0.440 -3.493 1.00 0.00 C ATOM 309 O GLY A 143 8.979 -0.251 -4.510 1.00 0.00 O ATOM 0 H GLY A 143 9.954 2.714 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.275 2.096 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.027 0.623 -3.104 1.00 0.00 H new ATOM 313 N VAL A 144 7.836 0.546 -2.740 1.00 0.00 N ATOM 314 CA VAL A 144 6.593 -0.147 -3.043 1.00 0.00 C ATOM 315 C VAL A 144 5.603 0.791 -3.719 1.00 0.00 C ATOM 316 O VAL A 144 5.442 1.940 -3.311 1.00 0.00 O ATOM 317 CB VAL A 144 5.939 -0.682 -1.755 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.641 -1.408 -2.070 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.898 -1.583 -0.997 1.00 0.00 C ATOM 0 H VAL A 144 7.792 1.119 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 144 6.838 -0.974 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 144 5.701 0.168 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.197 -1.777 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.948 -0.721 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.846 -2.247 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.414 -1.949 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.177 -2.428 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.792 -1.019 -0.729 1.00 0.00 H new ATOM 329 N ASP A 145 4.921 0.284 -4.732 1.00 0.00 N ATOM 330 CA ASP A 145 3.922 1.060 -5.440 1.00 0.00 C ATOM 331 C ASP A 145 2.564 0.410 -5.238 1.00 0.00 C ATOM 332 O ASP A 145 2.407 -0.788 -5.450 1.00 0.00 O ATOM 333 CB ASP A 145 4.259 1.154 -6.929 1.00 0.00 C ATOM 334 CG ASP A 145 3.443 2.216 -7.640 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.244 1.974 -7.892 1.00 0.00 O ATOM 336 OD2 ASP A 145 4.004 3.290 -7.944 1.00 0.00 O ATOM 0 H ASP A 145 5.043 -0.666 -5.082 1.00 0.00 H new ATOM 0 HA ASP A 145 3.905 2.075 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.320 1.376 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.082 0.187 -7.401 1.00 0.00 H new ATOM 341 N ILE A 146 1.592 1.197 -4.806 1.00 0.00 N ATOM 342 CA ILE A 146 0.250 0.683 -4.558 1.00 0.00 C ATOM 343 C ILE A 146 -0.246 -0.176 -5.722 1.00 0.00 C ATOM 344 O ILE A 146 -1.077 -1.065 -5.538 1.00 0.00 O ATOM 345 CB ILE A 146 -0.751 1.827 -4.303 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.207 2.791 -3.246 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.096 1.269 -3.863 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.117 2.123 -1.927 1.00 0.00 C ATOM 0 H ILE A 146 1.704 2.193 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 146 0.312 0.061 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.889 2.375 -5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.693 3.270 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.939 3.580 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.791 2.090 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.493 0.619 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.970 0.698 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.497 2.866 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.785 1.668 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.872 1.353 -2.085 1.00 0.00 H new ATOM 360 N ARG A 147 0.277 0.084 -6.919 1.00 0.00 N ATOM 361 CA ARG A 147 -0.117 -0.675 -8.103 1.00 0.00 C ATOM 362 C ARG A 147 0.264 -2.141 -7.950 1.00 0.00 C ATOM 363 O ARG A 147 -0.457 -3.037 -8.390 1.00 0.00 O ATOM 364 CB ARG A 147 0.545 -0.092 -9.354 1.00 0.00 C ATOM 365 CG ARG A 147 -0.015 1.259 -9.765 1.00 0.00 C ATOM 366 CD ARG A 147 0.674 1.791 -11.012 1.00 0.00 C ATOM 367 NE ARG A 147 -0.272 2.409 -11.939 1.00 0.00 N ATOM 368 CZ ARG A 147 -0.760 3.639 -11.790 1.00 0.00 C ATOM 369 NH1 ARG A 147 -0.394 4.386 -10.756 1.00 0.00 N ATOM 370 NH2 ARG A 147 -1.615 4.123 -12.680 1.00 0.00 N ATOM 0 H ARG A 147 0.971 0.811 -7.094 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.199 -0.604 -8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.616 0.007 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.423 -0.793 -10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.086 1.170 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.109 1.970 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.430 2.522 -10.725 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.194 0.976 -11.515 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.576 1.866 -12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.265 4.019 -10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.772 5.327 -10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.898 3.553 -13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.990 5.065 -12.567 1.00 0.00 H new ATOM 384 N LEU A 148 1.403 -2.369 -7.315 1.00 0.00 N ATOM 385 CA LEU A 148 1.908 -3.710 -7.079 1.00 0.00 C ATOM 386 C LEU A 148 1.359 -4.277 -5.771 1.00 0.00 C ATOM 387 O LEU A 148 1.592 -5.441 -5.444 1.00 0.00 O ATOM 388 CB LEU A 148 3.438 -3.690 -7.032 1.00 0.00 C ATOM 389 CG LEU A 148 4.093 -2.510 -7.754 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.599 -2.539 -7.587 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.720 -2.512 -9.228 1.00 0.00 C ATOM 0 H LEU A 148 2.002 -1.629 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 148 1.578 -4.349 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.754 -3.679 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.812 -4.616 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 148 3.720 -1.590 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.039 -1.690 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.849 -2.482 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.993 -3.466 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.195 -1.666 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.060 -3.440 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.638 -2.431 -9.330 1.00 0.00 H new ATOM 403 N VAL A 149 0.639 -3.447 -5.017 1.00 0.00 N ATOM 404 CA VAL A 149 0.080 -3.873 -3.741 1.00 0.00 C ATOM 405 C VAL A 149 -1.445 -3.874 -3.775 1.00 0.00 C ATOM 406 O VAL A 149 -2.072 -2.850 -4.042 1.00 0.00 O ATOM 407 CB VAL A 149 0.556 -2.961 -2.591 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.374 -3.652 -1.248 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.010 -2.550 -2.792 1.00 0.00 C ATOM 0 H VAL A 149 0.431 -2.481 -5.269 1.00 0.00 H new ATOM 0 HA VAL A 149 0.434 -4.889 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.056 -2.059 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.716 -2.992 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.680 -3.886 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.956 -4.573 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.324 -1.907 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.639 -3.440 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.108 -2.009 -3.733 1.00 0.00 H new ATOM 419 N GLN A 150 -2.035 -5.034 -3.498 1.00 0.00 N ATOM 420 CA GLN A 150 -3.486 -5.171 -3.492 1.00 0.00 C ATOM 421 C GLN A 150 -4.059 -4.774 -2.135 1.00 0.00 C ATOM 422 O GLN A 150 -3.785 -5.419 -1.122 1.00 0.00 O ATOM 423 CB GLN A 150 -3.884 -6.611 -3.829 1.00 0.00 C ATOM 424 CG GLN A 150 -4.951 -6.709 -4.908 1.00 0.00 C ATOM 425 CD GLN A 150 -5.174 -8.134 -5.378 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.215 -8.404 -6.577 1.00 0.00 O ATOM 427 NE2 GLN A 150 -5.319 -9.053 -4.430 1.00 0.00 N ATOM 0 H GLN A 150 -1.530 -5.891 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.896 -4.504 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.999 -7.158 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.247 -7.100 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.888 -6.305 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.661 -6.091 -5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.278 -8.783 -3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.472 -10.029 -4.685 1.00 0.00 H new ATOM 436 N GLY A 151 -4.847 -3.705 -2.120 1.00 0.00 N ATOM 437 CA GLY A 151 -5.437 -3.238 -0.881 1.00 0.00 C ATOM 438 C GLY A 151 -6.672 -4.023 -0.486 1.00 0.00 C ATOM 439 O GLY A 151 -7.523 -4.320 -1.324 1.00 0.00 O ATOM 0 H GLY A 151 -5.087 -3.154 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.698 -3.307 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.699 -2.185 -0.983 1.00 0.00 H new ATOM 443 N THR A 152 -6.768 -4.358 0.797 1.00 0.00 N ATOM 444 CA THR A 152 -7.906 -5.111 1.310 1.00 0.00 C ATOM 445 C THR A 152 -8.671 -4.303 2.356 1.00 0.00 C ATOM 446 O THR A 152 -9.325 -4.866 3.233 1.00 0.00 O ATOM 447 CB THR A 152 -7.436 -6.436 1.915 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.071 -6.360 2.287 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.592 -7.611 0.976 1.00 0.00 C ATOM 0 H THR A 152 -6.070 -4.119 1.501 1.00 0.00 H new ATOM 0 HA THR A 152 -8.578 -5.317 0.476 1.00 0.00 H new ATOM 0 HB THR A 152 -8.074 -6.600 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.789 -7.215 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.240 -8.518 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.643 -7.727 0.709 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.006 -7.436 0.074 1.00 0.00 H new ATOM 457 N GLY A 153 -8.580 -2.978 2.263 1.00 0.00 N ATOM 458 CA GLY A 153 -9.264 -2.120 3.214 1.00 0.00 C ATOM 459 C GLY A 153 -10.404 -1.339 2.589 1.00 0.00 C ATOM 460 O GLY A 153 -10.329 -0.934 1.429 1.00 0.00 O ATOM 0 H GLY A 153 -8.046 -2.485 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.652 -2.728 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.547 -1.423 3.648 1.00 0.00 H new ATOM 464 N LYS A 154 -11.462 -1.123 3.364 1.00 0.00 N ATOM 465 CA LYS A 154 -12.632 -0.382 2.896 1.00 0.00 C ATOM 466 C LYS A 154 -13.112 -0.897 1.536 1.00 0.00 C ATOM 467 O LYS A 154 -13.901 -1.841 1.468 1.00 0.00 O ATOM 468 CB LYS A 154 -12.315 1.115 2.821 1.00 0.00 C ATOM 469 CG LYS A 154 -12.654 1.874 4.093 1.00 0.00 C ATOM 470 CD LYS A 154 -14.128 2.243 4.144 1.00 0.00 C ATOM 471 CE LYS A 154 -14.428 3.456 3.279 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.843 3.472 2.814 1.00 0.00 N ATOM 0 H LYS A 154 -11.535 -1.453 4.326 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.438 -0.538 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.255 1.243 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.866 1.553 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.400 1.265 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.049 2.779 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.728 1.397 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.417 2.449 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.222 4.365 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.762 3.460 2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.006 4.315 2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.034 2.617 2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.479 3.495 3.637 1.00 0.00 H new ATOM 486 N ASN A 155 -12.637 -0.278 0.455 1.00 0.00 N ATOM 487 CA ASN A 155 -13.027 -0.684 -0.891 1.00 0.00 C ATOM 488 C ASN A 155 -11.836 -1.252 -1.655 1.00 0.00 C ATOM 489 O ASN A 155 -11.769 -1.154 -2.881 1.00 0.00 O ATOM 490 CB ASN A 155 -13.616 0.504 -1.654 1.00 0.00 C ATOM 491 CG ASN A 155 -12.707 1.717 -1.625 1.00 0.00 C ATOM 492 OD1 ASN A 155 -11.712 1.778 -2.348 1.00 0.00 O ATOM 493 ND2 ASN A 155 -13.044 2.690 -0.787 1.00 0.00 N ATOM 0 H ASN A 155 -11.983 0.504 0.487 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.784 -1.463 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.797 0.214 -2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.582 0.767 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -12.469 3.530 -0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.877 2.597 -0.206 1.00 0.00 H new ATOM 500 N GLY A 156 -10.898 -1.844 -0.925 1.00 0.00 N ATOM 501 CA GLY A 156 -9.723 -2.417 -1.552 1.00 0.00 C ATOM 502 C GLY A 156 -8.516 -1.499 -1.477 1.00 0.00 C ATOM 503 O GLY A 156 -7.555 -1.665 -2.230 1.00 0.00 O ATOM 0 H GLY A 156 -10.931 -1.937 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.484 -3.365 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.944 -2.637 -2.597 1.00 0.00 H new ATOM 507 N ARG A 157 -8.564 -0.529 -0.569 1.00 0.00 N ATOM 508 CA ARG A 157 -7.467 0.417 -0.400 1.00 0.00 C ATOM 509 C ARG A 157 -6.286 -0.245 0.300 1.00 0.00 C ATOM 510 O ARG A 157 -6.461 -0.999 1.256 1.00 0.00 O ATOM 511 CB ARG A 157 -7.939 1.634 0.401 1.00 0.00 C ATOM 512 CG ARG A 157 -6.847 2.663 0.651 1.00 0.00 C ATOM 513 CD ARG A 157 -7.331 3.783 1.559 1.00 0.00 C ATOM 514 NE ARG A 157 -7.388 5.066 0.861 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.095 6.110 1.287 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.804 6.029 2.406 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.092 7.240 0.592 1.00 0.00 N ATOM 0 H ARG A 157 -9.352 -0.378 0.061 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.142 0.746 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.761 2.112 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.334 1.296 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.983 2.175 1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.516 3.082 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.320 3.536 1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.666 3.867 2.418 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.855 5.167 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.809 5.163 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.344 6.833 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.548 7.308 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.634 8.041 0.918 1.00 0.00 H new ATOM 531 N VAL A 158 -5.081 0.037 -0.188 1.00 0.00 N ATOM 532 CA VAL A 158 -3.872 -0.538 0.389 1.00 0.00 C ATOM 533 C VAL A 158 -3.531 0.118 1.722 1.00 0.00 C ATOM 534 O VAL A 158 -3.570 1.341 1.858 1.00 0.00 O ATOM 535 CB VAL A 158 -2.668 -0.409 -0.575 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.346 -0.612 0.155 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.792 -1.407 -1.713 1.00 0.00 C ATOM 0 H VAL A 158 -4.917 0.659 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.073 -1.596 0.557 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.677 0.602 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.522 -0.515 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.244 0.139 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.326 -1.606 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.938 -1.304 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.816 -2.419 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.711 -1.216 -2.266 1.00 0.00 H new ATOM 547 N LEU A 159 -3.186 -0.713 2.695 1.00 0.00 N ATOM 548 CA LEU A 159 -2.823 -0.238 4.021 1.00 0.00 C ATOM 549 C LEU A 159 -1.327 -0.402 4.250 1.00 0.00 C ATOM 550 O LEU A 159 -0.652 -1.101 3.495 1.00 0.00 O ATOM 551 CB LEU A 159 -3.599 -1.017 5.086 1.00 0.00 C ATOM 552 CG LEU A 159 -5.112 -0.772 5.111 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.703 -1.220 6.438 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.431 0.695 4.854 1.00 0.00 C ATOM 0 H LEU A 159 -3.150 -1.727 2.589 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.077 0.820 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.423 -2.082 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.191 -0.765 6.065 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.563 -1.362 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.778 -1.038 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.515 -2.284 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.241 -0.659 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.511 0.842 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.965 1.309 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.046 0.985 3.876 1.00 0.00 H new ATOM 566 N LYS A 160 -0.803 0.228 5.296 1.00 0.00 N ATOM 567 CA LYS A 160 0.617 0.111 5.597 1.00 0.00 C ATOM 568 C LYS A 160 0.976 -1.352 5.804 1.00 0.00 C ATOM 569 O LYS A 160 2.067 -1.796 5.445 1.00 0.00 O ATOM 570 CB LYS A 160 0.988 0.927 6.835 1.00 0.00 C ATOM 571 CG LYS A 160 2.489 1.031 7.063 1.00 0.00 C ATOM 572 CD LYS A 160 2.856 0.735 8.509 1.00 0.00 C ATOM 573 CE LYS A 160 4.160 1.412 8.902 1.00 0.00 C ATOM 574 NZ LYS A 160 3.925 2.663 9.675 1.00 0.00 N ATOM 0 H LYS A 160 -1.332 0.816 5.940 1.00 0.00 H new ATOM 0 HA LYS A 160 1.183 0.508 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.572 1.930 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.525 0.474 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.007 0.333 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.830 2.032 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.056 1.075 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.947 -0.342 8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.761 0.725 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.734 1.642 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.838 3.094 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.373 3.329 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.399 2.440 10.544 1.00 0.00 H new ATOM 588 N GLU A 161 0.032 -2.106 6.361 1.00 0.00 N ATOM 589 CA GLU A 161 0.230 -3.528 6.586 1.00 0.00 C ATOM 590 C GLU A 161 0.389 -4.228 5.245 1.00 0.00 C ATOM 591 O GLU A 161 1.165 -5.175 5.111 1.00 0.00 O ATOM 592 CB GLU A 161 -0.951 -4.122 7.357 1.00 0.00 C ATOM 593 CG GLU A 161 -1.136 -3.524 8.743 1.00 0.00 C ATOM 594 CD GLU A 161 -0.659 -4.449 9.846 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.501 -4.906 9.777 1.00 0.00 O ATOM 596 OE2 GLU A 161 -1.447 -4.714 10.779 1.00 0.00 O ATOM 0 H GLU A 161 -0.876 -1.753 6.663 1.00 0.00 H new ATOM 0 HA GLU A 161 1.130 -3.674 7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.864 -3.971 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.808 -5.199 7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.592 -2.582 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.190 -3.294 8.898 1.00 0.00 H new ATOM 603 N ASP A 162 -0.341 -3.735 4.247 1.00 0.00 N ATOM 604 CA ASP A 162 -0.271 -4.293 2.902 1.00 0.00 C ATOM 605 C ASP A 162 1.110 -4.042 2.311 1.00 0.00 C ATOM 606 O ASP A 162 1.744 -4.949 1.770 1.00 0.00 O ATOM 607 CB ASP A 162 -1.344 -3.667 2.010 1.00 0.00 C ATOM 608 CG ASP A 162 -2.673 -4.390 2.103 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.688 -5.629 1.947 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.699 -3.715 2.331 1.00 0.00 O ATOM 0 H ASP A 162 -0.986 -2.951 4.346 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.447 -5.367 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.482 -2.623 2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.001 -3.675 0.975 1.00 0.00 H new ATOM 615 N ILE A 163 1.572 -2.804 2.436 1.00 0.00 N ATOM 616 CA ILE A 163 2.887 -2.413 1.934 1.00 0.00 C ATOM 617 C ILE A 163 3.964 -3.348 2.469 1.00 0.00 C ATOM 618 O ILE A 163 4.758 -3.903 1.710 1.00 0.00 O ATOM 619 CB ILE A 163 3.247 -0.972 2.350 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.139 -0.004 1.945 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.581 -0.551 1.735 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.870 0.000 0.465 1.00 0.00 C ATOM 0 H ILE A 163 1.053 -2.048 2.883 1.00 0.00 H new ATOM 0 HA ILE A 163 2.842 -2.472 0.847 1.00 0.00 H new ATOM 0 HB ILE A 163 3.347 -0.944 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.223 -0.268 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.411 1.003 2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.817 0.468 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.368 -1.224 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.511 -0.597 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.072 0.708 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.774 0.292 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.568 -0.998 0.147 1.00 0.00 H new ATOM 634 N ASP A 164 3.983 -3.512 3.788 1.00 0.00 N ATOM 635 CA ASP A 164 4.959 -4.377 4.435 1.00 0.00 C ATOM 636 C ASP A 164 4.851 -5.805 3.910 1.00 0.00 C ATOM 637 O ASP A 164 5.857 -6.448 3.613 1.00 0.00 O ATOM 638 CB ASP A 164 4.758 -4.361 5.952 1.00 0.00 C ATOM 639 CG ASP A 164 5.838 -5.132 6.685 1.00 0.00 C ATOM 640 OD1 ASP A 164 5.657 -6.350 6.897 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.863 -4.519 7.048 1.00 0.00 O ATOM 0 H ASP A 164 3.333 -3.056 4.428 1.00 0.00 H new ATOM 0 HA ASP A 164 5.955 -3.999 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.749 -3.329 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.784 -4.788 6.192 1.00 0.00 H new ATOM 646 N ALA A 165 3.618 -6.296 3.798 1.00 0.00 N ATOM 647 CA ALA A 165 3.373 -7.648 3.307 1.00 0.00 C ATOM 648 C ALA A 165 3.886 -7.812 1.881 1.00 0.00 C ATOM 649 O ALA A 165 4.403 -8.866 1.514 1.00 0.00 O ATOM 650 CB ALA A 165 1.888 -7.972 3.378 1.00 0.00 C ATOM 0 H ALA A 165 2.774 -5.777 4.041 1.00 0.00 H new ATOM 0 HA ALA A 165 3.916 -8.346 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.718 -8.983 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.549 -7.901 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.331 -7.264 2.764 1.00 0.00 H new ATOM 656 N TRP A 166 3.748 -6.756 1.085 1.00 0.00 N ATOM 657 CA TRP A 166 4.204 -6.769 -0.295 1.00 0.00 C ATOM 658 C TRP A 166 5.693 -7.067 -0.357 1.00 0.00 C ATOM 659 O TRP A 166 6.128 -8.023 -0.999 1.00 0.00 O ATOM 660 CB TRP A 166 3.917 -5.413 -0.932 1.00 0.00 C ATOM 661 CG TRP A 166 4.189 -5.365 -2.401 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.401 -5.847 -3.402 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.333 -4.793 -3.030 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.994 -5.607 -4.618 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.180 -4.964 -4.414 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.472 -4.154 -2.552 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.127 -4.518 -5.329 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.414 -3.709 -3.458 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.236 -3.893 -4.836 1.00 0.00 C ATOM 0 H TRP A 166 3.321 -5.877 1.377 1.00 0.00 H new ATOM 0 HA TRP A 166 3.673 -7.549 -0.841 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.873 -5.154 -0.757 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.521 -4.654 -0.435 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.452 -6.343 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.610 -5.867 -5.526 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.617 -4.009 -1.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.990 -4.661 -6.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.303 -3.211 -3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.990 -3.534 -5.520 1.00 0.00 H new ATOM 680 N LEU A 167 6.467 -6.237 0.327 1.00 0.00 N ATOM 681 CA LEU A 167 7.916 -6.392 0.373 1.00 0.00 C ATOM 682 C LEU A 167 8.305 -7.742 0.966 1.00 0.00 C ATOM 683 O LEU A 167 9.365 -8.284 0.657 1.00 0.00 O ATOM 684 CB LEU A 167 8.536 -5.261 1.196 1.00 0.00 C ATOM 685 CG LEU A 167 8.233 -3.857 0.683 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.305 -2.843 1.811 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.191 -3.483 -0.437 1.00 0.00 C ATOM 0 H LEU A 167 6.114 -5.443 0.862 1.00 0.00 H new ATOM 0 HA LEU A 167 8.296 -6.347 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.181 -5.342 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.617 -5.398 1.220 1.00 0.00 H new ATOM 0 HG LEU A 167 7.218 -3.849 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 167 8.085 -1.849 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.576 -3.101 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 167 9.306 -2.850 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.961 -2.478 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.215 -3.511 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.084 -4.191 -1.259 1.00 0.00 H new ATOM 699 N ALA A 168 7.439 -8.281 1.820 1.00 0.00 N ATOM 700 CA ALA A 168 7.695 -9.568 2.456 1.00 0.00 C ATOM 701 C ALA A 168 7.629 -10.708 1.444 1.00 0.00 C ATOM 702 O ALA A 168 8.236 -11.761 1.641 1.00 0.00 O ATOM 703 CB ALA A 168 6.703 -9.804 3.584 1.00 0.00 C ATOM 0 H ALA A 168 6.555 -7.847 2.087 1.00 0.00 H new ATOM 0 HA ALA A 168 8.703 -9.545 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.905 -10.768 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 168 6.803 -9.013 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.689 -9.800 3.184 1.00 0.00 H new