USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 400 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 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= -0.215 (180deg=-0.215) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 171 ASN : amide:sc= -0.506 K(o=-0.51,f=-4.9!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ -173:sc= -2.61 (180deg=-2.93) USER MOD Single : A 181 MET CE :methyl -152:sc= -0.289 (180deg=-1.73!) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -161:sc= -1.97 (180deg=-2.19) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 4.725 3.949 -0.138 1.00 0.00 N ATOM 27 CA TYR A 136 5.869 4.401 0.637 1.00 0.00 C ATOM 28 C TYR A 136 6.357 3.305 1.586 1.00 0.00 C ATOM 29 O TYR A 136 5.609 2.850 2.450 1.00 0.00 O ATOM 30 CB TYR A 136 5.376 5.591 1.461 1.00 0.00 C ATOM 31 CG TYR A 136 5.466 6.934 0.734 1.00 0.00 C ATOM 32 CD1 TYR A 136 6.701 7.466 0.420 1.00 0.00 C ATOM 33 CD2 TYR A 136 4.315 7.613 0.390 1.00 0.00 C ATOM 34 CE1 TYR A 136 6.787 8.730 -0.265 1.00 0.00 C ATOM 35 CE2 TYR A 136 4.401 8.876 -0.295 1.00 0.00 C ATOM 36 CZ TYR A 136 5.633 9.373 -0.589 1.00 0.00 C ATOM 37 OH TYR A 136 5.714 10.566 -1.236 1.00 0.00 O ATOM 0 HA TYR A 136 6.698 4.662 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 136 4.340 5.415 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 136 5.958 5.648 2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 136 7.602 6.934 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 136 3.349 7.197 0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 136 7.746 9.158 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 136 3.508 9.417 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 136 4.811 10.909 -1.404 1.00 0.00 H new ATOM 47 N VAL A 137 7.608 2.914 1.394 1.00 0.00 N ATOM 48 CA VAL A 137 8.205 1.880 2.222 1.00 0.00 C ATOM 49 C VAL A 137 9.622 2.302 2.615 1.00 0.00 C ATOM 50 O VAL A 137 10.281 3.037 1.881 1.00 0.00 O ATOM 51 CB VAL A 137 8.162 0.536 1.492 1.00 0.00 C ATOM 52 CG1 VAL A 137 6.762 -0.077 1.554 1.00 0.00 C ATOM 53 CG2 VAL A 137 8.633 0.682 0.044 1.00 0.00 C ATOM 0 H VAL A 137 8.225 3.295 0.677 1.00 0.00 H new ATOM 0 HA VAL A 137 7.637 1.753 3.143 1.00 0.00 H new ATOM 0 HB VAL A 137 8.848 -0.142 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.759 -1.031 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.480 -0.236 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.048 0.599 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 137 8.592 -0.288 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 137 7.985 1.385 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 137 9.658 1.054 0.030 1.00 0.00 H new ATOM 63 N ARG A 138 10.049 1.819 3.772 1.00 0.00 N ATOM 64 CA ARG A 138 11.377 2.136 4.271 1.00 0.00 C ATOM 65 C ARG A 138 12.223 0.867 4.376 1.00 0.00 C ATOM 66 O ARG A 138 11.693 -0.243 4.325 1.00 0.00 O ATOM 67 CB ARG A 138 11.302 2.806 5.645 1.00 0.00 C ATOM 68 CG ARG A 138 10.752 1.839 6.697 1.00 0.00 C ATOM 69 CD ARG A 138 9.670 2.510 7.545 1.00 0.00 C ATOM 70 NE ARG A 138 9.150 3.707 6.848 1.00 0.00 N ATOM 71 CZ ARG A 138 9.225 4.953 7.335 1.00 0.00 C ATOM 72 NH1 ARG A 138 9.800 5.173 8.526 1.00 0.00 N ATOM 73 NH2 ARG A 138 8.725 5.979 6.632 1.00 0.00 N ATOM 0 H ARG A 138 9.499 1.211 4.379 1.00 0.00 H new ATOM 0 HA ARG A 138 11.840 2.827 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.294 3.147 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.665 3.689 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.340 0.958 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.563 1.496 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.858 1.808 7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.080 2.793 8.515 1.00 0.00 H new ATOM 0 HE ARG A 138 8.706 3.575 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.180 4.392 9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 138 9.857 6.121 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.287 5.811 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.782 6.927 7.003 1.00 0.00 H new ATOM 87 N ALA A 139 13.523 1.071 4.519 1.00 0.00 N ATOM 88 CA ALA A 139 14.449 -0.045 4.630 1.00 0.00 C ATOM 89 C ALA A 139 15.150 0.013 5.988 1.00 0.00 C ATOM 90 O ALA A 139 15.895 0.953 6.267 1.00 0.00 O ATOM 91 CB ALA A 139 15.436 -0.008 3.462 1.00 0.00 C ATOM 0 H ALA A 139 13.959 1.992 4.561 1.00 0.00 H new ATOM 0 HA ALA A 139 13.915 -0.994 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.130 -0.844 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.890 -0.082 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.993 0.929 3.486 1.00 0.00 H new ATOM 97 N LEU A 140 14.888 -1.001 6.799 1.00 0.00 N ATOM 98 CA LEU A 140 15.485 -1.078 8.121 1.00 0.00 C ATOM 99 C LEU A 140 16.461 -2.254 8.169 1.00 0.00 C ATOM 100 O LEU A 140 16.677 -2.843 9.226 1.00 0.00 O ATOM 101 CB LEU A 140 14.398 -1.136 9.197 1.00 0.00 C ATOM 102 CG LEU A 140 12.954 -1.045 8.697 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.515 -2.359 8.047 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.010 -0.620 9.824 1.00 0.00 C ATOM 0 H LEU A 140 14.269 -1.777 6.565 1.00 0.00 H new ATOM 0 HA LEU A 140 16.062 -0.177 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.512 -2.068 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.569 -0.323 9.903 1.00 0.00 H new ATOM 0 HG LEU A 140 12.906 -0.274 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.486 -2.267 7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.165 -2.581 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.582 -3.166 8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 140 10.991 -0.563 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.055 -1.351 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.311 0.357 10.202 1.00 0.00 H new ATOM 116 N PHE A 141 17.023 -2.562 7.009 1.00 0.00 N ATOM 117 CA PHE A 141 17.971 -3.659 6.906 1.00 0.00 C ATOM 118 C PHE A 141 19.209 -3.240 6.109 1.00 0.00 C ATOM 119 O PHE A 141 20.222 -3.937 6.117 1.00 0.00 O ATOM 120 CB PHE A 141 17.263 -4.794 6.164 1.00 0.00 C ATOM 121 CG PHE A 141 17.201 -6.106 6.948 1.00 0.00 C ATOM 122 CD1 PHE A 141 18.223 -7.000 6.859 1.00 0.00 C ATOM 123 CD2 PHE A 141 16.126 -6.380 7.734 1.00 0.00 C ATOM 124 CE1 PHE A 141 18.167 -8.218 7.586 1.00 0.00 C ATOM 125 CE2 PHE A 141 16.069 -7.598 8.461 1.00 0.00 C ATOM 126 CZ PHE A 141 17.091 -8.491 8.372 1.00 0.00 C ATOM 0 H PHE A 141 16.840 -2.072 6.133 1.00 0.00 H new ATOM 0 HA PHE A 141 18.297 -3.964 7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.248 -4.479 5.922 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.775 -4.971 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 141 19.077 -6.783 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.315 -5.671 7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 141 18.978 -8.927 7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.214 -7.815 9.085 1.00 0.00 H new ATOM 0 HZ PHE A 141 17.048 -9.417 8.926 1.00 0.00 H new ATOM 136 N ASP A 142 19.086 -2.102 5.442 1.00 0.00 N ATOM 137 CA ASP A 142 20.183 -1.582 4.643 1.00 0.00 C ATOM 138 C ASP A 142 20.646 -2.657 3.658 1.00 0.00 C ATOM 139 O ASP A 142 20.444 -3.847 3.894 1.00 0.00 O ATOM 140 CB ASP A 142 21.375 -1.202 5.524 1.00 0.00 C ATOM 141 CG ASP A 142 22.727 -1.185 4.808 1.00 0.00 C ATOM 142 OD1 ASP A 142 23.287 -2.288 4.625 1.00 0.00 O ATOM 143 OD2 ASP A 142 23.171 -0.069 4.460 1.00 0.00 O ATOM 0 H ASP A 142 18.244 -1.526 5.438 1.00 0.00 H new ATOM 0 HA ASP A 142 19.826 -0.696 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.193 -0.215 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.430 -1.903 6.357 1.00 0.00 H new ATOM 148 N PHE A 143 21.257 -2.200 2.575 1.00 0.00 N ATOM 149 CA PHE A 143 21.750 -3.107 1.554 1.00 0.00 C ATOM 150 C PHE A 143 22.761 -2.411 0.641 1.00 0.00 C ATOM 151 O PHE A 143 23.833 -2.948 0.370 1.00 0.00 O ATOM 152 CB PHE A 143 20.543 -3.542 0.721 1.00 0.00 C ATOM 153 CG PHE A 143 20.904 -4.081 -0.665 1.00 0.00 C ATOM 154 CD1 PHE A 143 21.211 -3.218 -1.671 1.00 0.00 C ATOM 155 CD2 PHE A 143 20.920 -5.422 -0.891 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.546 -3.719 -2.958 1.00 0.00 C ATOM 157 CE2 PHE A 143 21.255 -5.921 -2.176 1.00 0.00 C ATOM 158 CZ PHE A 143 21.562 -5.060 -3.182 1.00 0.00 C ATOM 0 H PHE A 143 21.422 -1.212 2.383 1.00 0.00 H new ATOM 0 HA PHE A 143 22.249 -3.956 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.996 -4.310 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.870 -2.693 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 143 21.200 -2.153 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 143 20.678 -6.107 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 143 21.788 -3.035 -3.758 1.00 0.00 H new ATOM 0 HE2 PHE A 143 21.266 -6.986 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.819 -5.441 -4.159 1.00 0.00 H new ATOM 245 N ASP A 150 18.535 -4.246 -7.862 1.00 0.00 N ATOM 246 CA ASP A 150 17.710 -3.982 -6.696 1.00 0.00 C ATOM 247 C ASP A 150 17.863 -2.515 -6.289 1.00 0.00 C ATOM 248 O ASP A 150 18.716 -1.806 -6.820 1.00 0.00 O ATOM 249 CB ASP A 150 18.139 -4.849 -5.511 1.00 0.00 C ATOM 250 CG ASP A 150 18.500 -6.293 -5.863 1.00 0.00 C ATOM 251 OD1 ASP A 150 17.555 -7.065 -6.135 1.00 0.00 O ATOM 252 OD2 ASP A 150 19.714 -6.593 -5.853 1.00 0.00 O ATOM 0 HA ASP A 150 16.676 -4.211 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 150 18.999 -4.382 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 150 17.332 -4.860 -4.778 1.00 0.00 H new ATOM 257 N LEU A 151 17.023 -2.104 -5.351 1.00 0.00 N ATOM 258 CA LEU A 151 17.054 -0.735 -4.866 1.00 0.00 C ATOM 259 C LEU A 151 17.925 -0.662 -3.610 1.00 0.00 C ATOM 260 O LEU A 151 17.568 -1.213 -2.570 1.00 0.00 O ATOM 261 CB LEU A 151 15.633 -0.206 -4.661 1.00 0.00 C ATOM 262 CG LEU A 151 15.476 0.912 -3.628 1.00 0.00 C ATOM 263 CD1 LEU A 151 16.648 1.893 -3.699 1.00 0.00 C ATOM 264 CD2 LEU A 151 14.128 1.618 -3.785 1.00 0.00 C ATOM 0 H LEU A 151 16.316 -2.695 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 151 17.509 -0.079 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.260 0.156 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.996 -1.039 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 151 15.491 0.464 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.511 2.677 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.579 1.362 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 151 16.689 2.339 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 151 14.042 2.408 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.058 2.052 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.322 0.898 -3.646 1.00 0.00 H new ATOM 276 N PRO A 152 19.081 0.040 -3.753 1.00 0.00 N ATOM 277 CA PRO A 152 20.006 0.192 -2.643 1.00 0.00 C ATOM 278 C PRO A 152 19.477 1.202 -1.623 1.00 0.00 C ATOM 279 O PRO A 152 19.174 2.343 -1.973 1.00 0.00 O ATOM 280 CB PRO A 152 21.318 0.622 -3.279 1.00 0.00 C ATOM 281 CG PRO A 152 20.959 1.143 -4.661 1.00 0.00 C ATOM 282 CD PRO A 152 19.536 0.706 -4.970 1.00 0.00 C ATOM 0 HA PRO A 152 20.137 -0.730 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.806 1.395 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 152 22.013 -0.215 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 152 21.040 2.230 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 152 21.649 0.751 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 152 18.904 1.560 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.506 0.031 -5.826 1.00 0.00 H new ATOM 290 N PHE A 153 19.382 0.748 -0.381 1.00 0.00 N ATOM 291 CA PHE A 153 18.895 1.598 0.691 1.00 0.00 C ATOM 292 C PHE A 153 19.669 1.344 1.986 1.00 0.00 C ATOM 293 O PHE A 153 20.524 0.462 2.039 1.00 0.00 O ATOM 294 CB PHE A 153 17.424 1.241 0.912 1.00 0.00 C ATOM 295 CG PHE A 153 17.149 -0.263 0.964 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.749 -1.032 1.912 1.00 0.00 C ATOM 297 CD2 PHE A 153 16.306 -0.832 0.061 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.494 -2.428 1.959 1.00 0.00 C ATOM 299 CE2 PHE A 153 16.051 -2.228 0.108 1.00 0.00 C ATOM 300 CZ PHE A 153 16.651 -2.997 1.057 1.00 0.00 C ATOM 0 H PHE A 153 19.634 -0.198 -0.094 1.00 0.00 H new ATOM 0 HA PHE A 153 19.023 2.646 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 153 17.087 1.694 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.830 1.681 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 153 18.419 -0.581 2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 153 15.830 -0.222 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.970 -3.038 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 153 15.381 -2.679 -0.609 1.00 0.00 H new ATOM 0 HZ PHE A 153 16.458 -4.059 1.094 1.00 0.00 H new ATOM 310 N LYS A 154 19.341 2.134 2.998 1.00 0.00 N ATOM 311 CA LYS A 154 19.995 2.006 4.289 1.00 0.00 C ATOM 312 C LYS A 154 19.086 1.224 5.241 1.00 0.00 C ATOM 313 O LYS A 154 18.059 0.691 4.826 1.00 0.00 O ATOM 314 CB LYS A 154 20.404 3.381 4.822 1.00 0.00 C ATOM 315 CG LYS A 154 21.920 3.465 5.013 1.00 0.00 C ATOM 316 CD LYS A 154 22.322 4.811 5.620 1.00 0.00 C ATOM 317 CE LYS A 154 23.401 4.631 6.688 1.00 0.00 C ATOM 318 NZ LYS A 154 24.410 5.710 6.593 1.00 0.00 N ATOM 0 H LYS A 154 18.631 2.865 2.950 1.00 0.00 H new ATOM 0 HA LYS A 154 20.921 1.439 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.078 4.156 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 154 19.903 3.571 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.254 2.655 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.419 3.331 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 154 22.689 5.473 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 154 21.448 5.292 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 154 22.945 4.637 7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 154 23.884 3.662 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 25.135 5.572 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 24.857 5.686 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 23.948 6.631 6.732 1.00 0.00 H new ATOM 332 N LYS A 155 19.499 1.181 6.499 1.00 0.00 N ATOM 333 CA LYS A 155 18.736 0.472 7.513 1.00 0.00 C ATOM 334 C LYS A 155 17.648 1.397 8.064 1.00 0.00 C ATOM 335 O LYS A 155 17.313 1.332 9.246 1.00 0.00 O ATOM 336 CB LYS A 155 19.666 -0.091 8.589 1.00 0.00 C ATOM 337 CG LYS A 155 19.893 0.929 9.707 1.00 0.00 C ATOM 338 CD LYS A 155 20.253 2.301 9.132 1.00 0.00 C ATOM 339 CE LYS A 155 21.615 2.265 8.438 1.00 0.00 C ATOM 340 NZ LYS A 155 22.681 2.712 9.363 1.00 0.00 N ATOM 0 H LYS A 155 20.352 1.625 6.839 1.00 0.00 H new ATOM 0 HA LYS A 155 18.233 -0.391 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 155 19.237 -1.002 9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.622 -0.364 8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 155 18.994 1.011 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 155 20.693 0.584 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.487 2.614 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 155 20.268 3.042 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 155 21.827 1.253 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 155 21.598 2.906 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 23.599 2.681 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 22.486 3.685 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 22.708 2.084 10.191 1.00 0.00 H new ATOM 354 N GLY A 156 17.126 2.236 7.181 1.00 0.00 N ATOM 355 CA GLY A 156 16.082 3.172 7.565 1.00 0.00 C ATOM 356 C GLY A 156 15.856 4.218 6.471 1.00 0.00 C ATOM 357 O GLY A 156 15.649 5.394 6.766 1.00 0.00 O ATOM 0 H GLY A 156 17.406 2.287 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.155 2.631 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.357 3.668 8.496 1.00 0.00 H new ATOM 361 N ASP A 157 15.903 3.752 5.231 1.00 0.00 N ATOM 362 CA ASP A 157 15.705 4.633 4.093 1.00 0.00 C ATOM 363 C ASP A 157 14.211 4.732 3.784 1.00 0.00 C ATOM 364 O ASP A 157 13.404 4.003 4.359 1.00 0.00 O ATOM 365 CB ASP A 157 16.410 4.090 2.848 1.00 0.00 C ATOM 366 CG ASP A 157 17.526 4.978 2.297 1.00 0.00 C ATOM 367 OD1 ASP A 157 18.498 5.203 3.052 1.00 0.00 O ATOM 368 OD2 ASP A 157 17.384 5.414 1.134 1.00 0.00 O ATOM 0 H ASP A 157 16.075 2.776 4.990 1.00 0.00 H new ATOM 0 HA ASP A 157 16.119 5.609 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 157 16.828 3.111 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 157 15.667 3.939 2.065 1.00 0.00 H new ATOM 373 N ILE A 158 13.886 5.643 2.878 1.00 0.00 N ATOM 374 CA ILE A 158 12.501 5.848 2.486 1.00 0.00 C ATOM 375 C ILE A 158 12.383 5.727 0.965 1.00 0.00 C ATOM 376 O ILE A 158 13.217 6.253 0.230 1.00 0.00 O ATOM 377 CB ILE A 158 11.979 7.175 3.039 1.00 0.00 C ATOM 378 CG1 ILE A 158 11.156 6.953 4.310 1.00 0.00 C ATOM 379 CG2 ILE A 158 11.195 7.943 1.974 1.00 0.00 C ATOM 380 CD1 ILE A 158 12.022 6.376 5.431 1.00 0.00 C ATOM 0 H ILE A 158 14.557 6.247 2.404 1.00 0.00 H new ATOM 0 HA ILE A 158 11.864 5.076 2.918 1.00 0.00 H new ATOM 0 HB ILE A 158 12.835 7.791 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 158 10.718 7.897 4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.330 6.275 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 158 10.835 8.882 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 158 11.844 8.151 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.346 7.344 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 158 11.412 6.228 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 158 12.439 5.420 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 158 12.833 7.068 5.657 1.00 0.00 H new ATOM 392 N LEU A 159 11.340 5.031 0.539 1.00 0.00 N ATOM 393 CA LEU A 159 11.102 4.834 -0.881 1.00 0.00 C ATOM 394 C LEU A 159 9.595 4.763 -1.135 1.00 0.00 C ATOM 395 O LEU A 159 8.797 5.015 -0.234 1.00 0.00 O ATOM 396 CB LEU A 159 11.868 3.610 -1.388 1.00 0.00 C ATOM 397 CG LEU A 159 12.813 2.947 -0.384 1.00 0.00 C ATOM 398 CD1 LEU A 159 12.688 1.423 -0.437 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.254 3.412 -0.596 1.00 0.00 C ATOM 0 H LEU A 159 10.650 4.596 1.152 1.00 0.00 H new ATOM 0 HA LEU A 159 11.484 5.680 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.145 2.866 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.448 3.906 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 159 12.519 3.259 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 159 13.370 0.977 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 159 11.665 1.133 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 159 12.940 1.072 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 159 14.904 2.925 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.576 3.150 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.310 4.493 -0.467 1.00 0.00 H new ATOM 411 N ARG A 160 9.250 4.421 -2.368 1.00 0.00 N ATOM 412 CA ARG A 160 7.853 4.316 -2.753 1.00 0.00 C ATOM 413 C ARG A 160 7.628 3.056 -3.592 1.00 0.00 C ATOM 414 O ARG A 160 8.541 2.584 -4.267 1.00 0.00 O ATOM 415 CB ARG A 160 7.409 5.540 -3.554 1.00 0.00 C ATOM 416 CG ARG A 160 7.282 6.769 -2.652 1.00 0.00 C ATOM 417 CD ARG A 160 7.884 8.006 -3.322 1.00 0.00 C ATOM 418 NE ARG A 160 9.316 7.774 -3.619 1.00 0.00 N ATOM 419 CZ ARG A 160 10.130 8.693 -4.155 1.00 0.00 C ATOM 420 NH1 ARG A 160 9.660 9.911 -4.456 1.00 0.00 N ATOM 421 NH2 ARG A 160 11.415 8.393 -4.391 1.00 0.00 N ATOM 0 H ARG A 160 9.914 4.213 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 160 7.260 4.260 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 160 8.129 5.740 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 160 6.452 5.337 -4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.232 6.950 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 160 7.787 6.583 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.345 8.230 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.775 8.872 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 160 9.707 6.857 -3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.682 10.139 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 160 10.280 10.610 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 160 11.772 7.465 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 160 12.035 9.092 -4.799 1.00 0.00 H new ATOM 435 N ILE A 161 6.406 2.548 -3.523 1.00 0.00 N ATOM 436 CA ILE A 161 6.049 1.352 -4.267 1.00 0.00 C ATOM 437 C ILE A 161 5.531 1.754 -5.650 1.00 0.00 C ATOM 438 O ILE A 161 4.536 2.471 -5.759 1.00 0.00 O ATOM 439 CB ILE A 161 5.067 0.496 -3.466 1.00 0.00 C ATOM 440 CG1 ILE A 161 5.743 -0.777 -2.950 1.00 0.00 C ATOM 441 CG2 ILE A 161 3.813 0.186 -4.288 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.088 -0.456 -2.296 1.00 0.00 C ATOM 0 H ILE A 161 5.651 2.943 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 161 6.926 0.724 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 161 4.748 1.067 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.093 -1.272 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 161 5.893 -1.474 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.131 -0.424 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.320 1.118 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.094 -0.357 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.548 -1.377 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.744 0.017 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 161 6.932 0.222 -1.457 1.00 0.00 H new ATOM 454 N ARG A 162 6.226 1.275 -6.669 1.00 0.00 N ATOM 455 CA ARG A 162 5.848 1.575 -8.040 1.00 0.00 C ATOM 456 C ARG A 162 5.250 0.335 -8.709 1.00 0.00 C ATOM 457 O ARG A 162 4.187 0.410 -9.325 1.00 0.00 O ATOM 458 CB ARG A 162 7.054 2.052 -8.853 1.00 0.00 C ATOM 459 CG ARG A 162 6.684 2.237 -10.325 1.00 0.00 C ATOM 460 CD ARG A 162 7.636 1.456 -11.233 1.00 0.00 C ATOM 461 NE ARG A 162 6.869 0.752 -12.284 1.00 0.00 N ATOM 462 CZ ARG A 162 6.255 1.367 -13.304 1.00 0.00 C ATOM 463 NH1 ARG A 162 6.314 2.701 -13.416 1.00 0.00 N ATOM 464 NH2 ARG A 162 5.583 0.648 -14.213 1.00 0.00 N ATOM 0 H ARG A 162 7.050 0.681 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 162 5.105 2.372 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.422 2.994 -8.446 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.865 1.329 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.660 1.901 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 162 6.718 3.296 -10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.355 2.136 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 162 8.206 0.737 -10.644 1.00 0.00 H new ATOM 0 HE ARG A 162 6.803 -0.264 -12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.826 3.249 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.847 3.169 -14.193 1.00 0.00 H new ATOM 0 HH21 ARG A 162 5.539 -0.368 -14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 162 5.116 1.116 -14.989 1.00 0.00 H new ATOM 478 N ASP A 163 5.957 -0.775 -8.566 1.00 0.00 N ATOM 479 CA ASP A 163 5.509 -2.029 -9.148 1.00 0.00 C ATOM 480 C ASP A 163 5.740 -3.163 -8.147 1.00 0.00 C ATOM 481 O ASP A 163 6.508 -3.011 -7.198 1.00 0.00 O ATOM 482 CB ASP A 163 6.292 -2.355 -10.421 1.00 0.00 C ATOM 483 CG ASP A 163 5.490 -2.249 -11.719 1.00 0.00 C ATOM 484 OD1 ASP A 163 5.170 -1.101 -12.097 1.00 0.00 O ATOM 485 OD2 ASP A 163 5.214 -3.319 -12.304 1.00 0.00 O ATOM 0 H ASP A 163 6.838 -0.833 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 163 4.451 -1.929 -9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 163 7.148 -1.683 -10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 163 6.687 -3.368 -10.337 1.00 0.00 H new ATOM 490 N LYS A 164 5.062 -4.274 -8.394 1.00 0.00 N ATOM 491 CA LYS A 164 5.183 -5.432 -7.526 1.00 0.00 C ATOM 492 C LYS A 164 5.033 -6.707 -8.360 1.00 0.00 C ATOM 493 O LYS A 164 3.917 -7.122 -8.671 1.00 0.00 O ATOM 494 CB LYS A 164 4.192 -5.337 -6.363 1.00 0.00 C ATOM 495 CG LYS A 164 3.893 -6.722 -5.785 1.00 0.00 C ATOM 496 CD LYS A 164 2.503 -7.204 -6.207 1.00 0.00 C ATOM 497 CE LYS A 164 1.817 -7.962 -5.070 1.00 0.00 C ATOM 498 NZ LYS A 164 1.659 -9.392 -5.422 1.00 0.00 N ATOM 0 H LYS A 164 4.427 -4.396 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 164 6.172 -5.464 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 164 4.601 -4.694 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 164 3.267 -4.874 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 164 4.647 -7.432 -6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 164 3.955 -6.687 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 164 1.892 -6.350 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 164 2.588 -7.850 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 164 2.404 -7.869 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 164 0.841 -7.521 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 1.192 -9.893 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 1.080 -9.476 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 2.595 -9.813 -5.592 1.00 0.00 H new ATOM 512 N PRO A 165 6.202 -7.307 -8.707 1.00 0.00 N ATOM 513 CA PRO A 165 6.212 -8.526 -9.499 1.00 0.00 C ATOM 514 C PRO A 165 5.803 -9.733 -8.652 1.00 0.00 C ATOM 515 O PRO A 165 5.012 -10.566 -9.093 1.00 0.00 O ATOM 516 CB PRO A 165 7.628 -8.632 -10.040 1.00 0.00 C ATOM 517 CG PRO A 165 8.479 -7.731 -9.162 1.00 0.00 C ATOM 518 CD PRO A 165 7.542 -6.845 -8.357 1.00 0.00 C ATOM 0 HA PRO A 165 5.489 -8.504 -10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 165 7.984 -9.662 -10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 165 7.672 -8.316 -11.082 1.00 0.00 H new ATOM 0 HG2 PRO A 165 9.106 -8.326 -8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 165 9.148 -7.124 -9.772 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.727 -6.942 -7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.677 -5.793 -8.610 1.00 0.00 H new ATOM 526 N GLU A 166 6.359 -9.789 -7.451 1.00 0.00 N ATOM 527 CA GLU A 166 6.063 -10.881 -6.539 1.00 0.00 C ATOM 528 C GLU A 166 5.639 -10.332 -5.175 1.00 0.00 C ATOM 529 O GLU A 166 5.500 -9.122 -5.004 1.00 0.00 O ATOM 530 CB GLU A 166 7.260 -11.823 -6.403 1.00 0.00 C ATOM 531 CG GLU A 166 7.931 -12.054 -7.758 1.00 0.00 C ATOM 532 CD GLU A 166 9.368 -11.528 -7.755 1.00 0.00 C ATOM 533 OE1 GLU A 166 10.093 -11.862 -6.793 1.00 0.00 O ATOM 534 OE2 GLU A 166 9.709 -10.802 -8.714 1.00 0.00 O ATOM 0 H GLU A 166 7.013 -9.096 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 166 5.235 -11.458 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.981 -11.402 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 166 6.932 -12.776 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.930 -13.119 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.359 -11.556 -8.541 1.00 0.00 H new ATOM 541 N GLU A 167 5.447 -11.248 -4.237 1.00 0.00 N ATOM 542 CA GLU A 167 5.043 -10.871 -2.894 1.00 0.00 C ATOM 543 C GLU A 167 6.255 -10.847 -1.962 1.00 0.00 C ATOM 544 O GLU A 167 6.200 -10.264 -0.879 1.00 0.00 O ATOM 545 CB GLU A 167 3.962 -11.814 -2.362 1.00 0.00 C ATOM 546 CG GLU A 167 4.463 -13.259 -2.325 1.00 0.00 C ATOM 547 CD GLU A 167 3.824 -14.032 -1.169 1.00 0.00 C ATOM 548 OE1 GLU A 167 2.665 -13.700 -0.836 1.00 0.00 O ATOM 549 OE2 GLU A 167 4.509 -14.935 -0.643 1.00 0.00 O ATOM 0 H GLU A 167 5.564 -12.251 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 167 4.618 -9.868 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 167 3.664 -11.503 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 167 3.075 -11.749 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 167 4.231 -13.752 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 167 5.548 -13.269 -2.218 1.00 0.00 H new ATOM 556 N GLN A 168 7.324 -11.487 -2.415 1.00 0.00 N ATOM 557 CA GLN A 168 8.549 -11.546 -1.635 1.00 0.00 C ATOM 558 C GLN A 168 9.451 -10.358 -1.973 1.00 0.00 C ATOM 559 O GLN A 168 10.174 -9.858 -1.113 1.00 0.00 O ATOM 560 CB GLN A 168 9.279 -12.871 -1.862 1.00 0.00 C ATOM 561 CG GLN A 168 8.765 -13.951 -0.906 1.00 0.00 C ATOM 562 CD GLN A 168 9.592 -13.983 0.380 1.00 0.00 C ATOM 563 OE1 GLN A 168 10.001 -12.964 0.912 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.815 -15.207 0.849 1.00 0.00 N ATOM 0 H GLN A 168 7.367 -11.969 -3.313 1.00 0.00 H new ATOM 0 HA GLN A 168 8.288 -11.489 -0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 168 9.138 -13.196 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 168 10.350 -12.730 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 168 7.719 -13.761 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.808 -14.924 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 168 9.444 -16.018 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.357 -15.335 1.703 1.00 0.00 H new ATOM 573 N TRP A 169 9.379 -9.939 -3.229 1.00 0.00 N ATOM 574 CA TRP A 169 10.181 -8.819 -3.690 1.00 0.00 C ATOM 575 C TRP A 169 9.230 -7.746 -4.224 1.00 0.00 C ATOM 576 O TRP A 169 8.251 -8.059 -4.900 1.00 0.00 O ATOM 577 CB TRP A 169 11.211 -9.273 -4.726 1.00 0.00 C ATOM 578 CG TRP A 169 12.366 -10.087 -4.140 1.00 0.00 C ATOM 579 CD1 TRP A 169 12.333 -11.337 -3.657 1.00 0.00 C ATOM 580 CD2 TRP A 169 13.736 -9.656 -3.993 1.00 0.00 C ATOM 581 NE1 TRP A 169 13.576 -11.740 -3.212 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.455 -10.685 -3.422 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.346 -8.435 -4.332 1.00 0.00 C ATOM 584 CZ2 TRP A 169 15.824 -10.599 -3.140 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.714 -8.365 -4.043 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.453 -9.392 -3.468 1.00 0.00 C ATOM 0 H TRP A 169 8.778 -10.355 -3.940 1.00 0.00 H new ATOM 0 HA TRP A 169 10.760 -8.395 -2.870 1.00 0.00 H new ATOM 0 HB2 TRP A 169 10.708 -9.871 -5.486 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.617 -8.395 -5.228 1.00 0.00 H new ATOM 0 HD1 TRP A 169 11.446 -11.951 -3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 169 13.807 -12.646 -2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.802 -7.616 -4.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.366 -11.420 -2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 16.232 -7.448 -4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.507 -9.260 -3.275 1.00 0.00 H new ATOM 597 N TRP A 170 9.551 -6.502 -3.899 1.00 0.00 N ATOM 598 CA TRP A 170 8.738 -5.380 -4.337 1.00 0.00 C ATOM 599 C TRP A 170 9.649 -4.392 -5.068 1.00 0.00 C ATOM 600 O TRP A 170 10.808 -4.220 -4.696 1.00 0.00 O ATOM 601 CB TRP A 170 7.994 -4.749 -3.158 1.00 0.00 C ATOM 602 CG TRP A 170 6.756 -5.529 -2.713 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.152 -6.546 -3.343 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.991 -5.313 -1.509 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.056 -6.999 -2.635 1.00 0.00 N ATOM 606 CE2 TRP A 170 4.956 -6.226 -1.485 1.00 0.00 C ATOM 607 CE3 TRP A 170 6.167 -4.378 -0.475 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.016 -6.292 -0.448 1.00 0.00 C ATOM 609 CZ3 TRP A 170 5.220 -4.457 0.554 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.173 -5.370 0.593 1.00 0.00 C ATOM 0 H TRP A 170 10.363 -6.246 -3.337 1.00 0.00 H new ATOM 0 HA TRP A 170 7.962 -5.712 -5.026 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.679 -4.662 -2.314 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.694 -3.737 -3.431 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.481 -6.959 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.434 -7.761 -2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.969 -3.655 -0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.214 -7.015 -0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 5.310 -3.760 1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.483 -5.368 1.424 1.00 0.00 H new ATOM 621 N ASN A 171 9.090 -3.769 -6.095 1.00 0.00 N ATOM 622 CA ASN A 171 9.838 -2.803 -6.881 1.00 0.00 C ATOM 623 C ASN A 171 9.428 -1.388 -6.467 1.00 0.00 C ATOM 624 O ASN A 171 8.393 -0.886 -6.901 1.00 0.00 O ATOM 625 CB ASN A 171 9.544 -2.962 -8.375 1.00 0.00 C ATOM 626 CG ASN A 171 10.478 -2.088 -9.213 1.00 0.00 C ATOM 627 OD1 ASN A 171 11.116 -1.170 -8.724 1.00 0.00 O ATOM 628 ND2 ASN A 171 10.522 -2.422 -10.500 1.00 0.00 N ATOM 0 H ASN A 171 8.128 -3.914 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 171 10.900 -2.973 -6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.661 -4.007 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.508 -2.690 -8.576 1.00 0.00 H new ATOM 0 HD21 ASN A 171 11.116 -1.898 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 171 9.962 -3.202 -10.844 1.00 0.00 H new ATOM 635 N ALA A 172 10.262 -0.785 -5.632 1.00 0.00 N ATOM 636 CA ALA A 172 9.999 0.561 -5.155 1.00 0.00 C ATOM 637 C ALA A 172 11.031 1.520 -5.752 1.00 0.00 C ATOM 638 O ALA A 172 12.071 1.088 -6.246 1.00 0.00 O ATOM 639 CB ALA A 172 10.011 0.572 -3.625 1.00 0.00 C ATOM 0 H ALA A 172 11.120 -1.204 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 172 9.013 0.896 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.814 1.582 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.241 -0.103 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 172 10.987 0.244 -3.266 1.00 0.00 H new ATOM 645 N GLU A 173 10.708 2.803 -5.686 1.00 0.00 N ATOM 646 CA GLU A 173 11.593 3.827 -6.214 1.00 0.00 C ATOM 647 C GLU A 173 12.277 4.579 -5.071 1.00 0.00 C ATOM 648 O GLU A 173 11.628 4.959 -4.098 1.00 0.00 O ATOM 649 CB GLU A 173 10.835 4.790 -7.128 1.00 0.00 C ATOM 650 CG GLU A 173 11.106 4.477 -8.601 1.00 0.00 C ATOM 651 CD GLU A 173 10.023 5.082 -9.498 1.00 0.00 C ATOM 652 OE1 GLU A 173 8.843 5.010 -9.092 1.00 0.00 O ATOM 653 OE2 GLU A 173 10.400 5.603 -10.570 1.00 0.00 O ATOM 0 H GLU A 173 9.845 3.157 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 173 12.362 3.340 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.766 4.720 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.134 5.815 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.082 4.870 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.143 3.397 -8.746 1.00 0.00 H new ATOM 660 N ASP A 174 13.579 4.771 -5.226 1.00 0.00 N ATOM 661 CA ASP A 174 14.358 5.471 -4.219 1.00 0.00 C ATOM 662 C ASP A 174 14.149 6.978 -4.375 1.00 0.00 C ATOM 663 O ASP A 174 13.661 7.437 -5.407 1.00 0.00 O ATOM 664 CB ASP A 174 15.851 5.181 -4.377 1.00 0.00 C ATOM 665 CG ASP A 174 16.659 5.217 -3.078 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.175 5.867 -2.126 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.742 4.593 -3.066 1.00 0.00 O ATOM 0 H ASP A 174 14.114 4.454 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 174 14.027 5.128 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 174 15.968 4.198 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.275 5.907 -5.071 1.00 0.00 H new ATOM 672 N SER A 175 14.527 7.707 -3.335 1.00 0.00 N ATOM 673 CA SER A 175 14.387 9.153 -3.344 1.00 0.00 C ATOM 674 C SER A 175 15.025 9.733 -4.609 1.00 0.00 C ATOM 675 O SER A 175 14.713 10.855 -5.007 1.00 0.00 O ATOM 676 CB SER A 175 15.021 9.776 -2.099 1.00 0.00 C ATOM 677 OG SER A 175 14.663 11.147 -1.946 1.00 0.00 O ATOM 0 H SER A 175 14.930 7.323 -2.480 1.00 0.00 H new ATOM 0 HA SER A 175 13.324 9.393 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.708 9.219 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 175 16.106 9.690 -2.163 1.00 0.00 H new ATOM 0 HG SER A 175 15.086 11.508 -1.139 1.00 0.00 H new ATOM 683 N GLU A 176 15.903 8.942 -5.206 1.00 0.00 N ATOM 684 CA GLU A 176 16.587 9.362 -6.418 1.00 0.00 C ATOM 685 C GLU A 176 15.660 9.219 -7.626 1.00 0.00 C ATOM 686 O GLU A 176 15.843 9.895 -8.637 1.00 0.00 O ATOM 687 CB GLU A 176 17.879 8.569 -6.621 1.00 0.00 C ATOM 688 CG GLU A 176 18.824 8.745 -5.430 1.00 0.00 C ATOM 689 CD GLU A 176 20.153 9.361 -5.871 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.823 8.723 -6.711 1.00 0.00 O ATOM 691 OE2 GLU A 176 20.470 10.455 -5.356 1.00 0.00 O ATOM 0 H GLU A 176 16.157 8.012 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 176 16.858 10.413 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.645 7.512 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.374 8.900 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 176 18.355 9.382 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 176 19.005 7.779 -4.959 1.00 0.00 H new ATOM 698 N GLY A 177 14.683 8.335 -7.483 1.00 0.00 N ATOM 699 CA GLY A 177 13.728 8.095 -8.550 1.00 0.00 C ATOM 700 C GLY A 177 14.141 6.888 -9.395 1.00 0.00 C ATOM 701 O GLY A 177 13.851 6.833 -10.589 1.00 0.00 O ATOM 0 H GLY A 177 14.533 7.776 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.739 7.925 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.655 8.979 -9.183 1.00 0.00 H new ATOM 705 N LYS A 178 14.811 5.950 -8.742 1.00 0.00 N ATOM 706 CA LYS A 178 15.266 4.747 -9.417 1.00 0.00 C ATOM 707 C LYS A 178 14.411 3.561 -8.968 1.00 0.00 C ATOM 708 O LYS A 178 14.184 3.371 -7.775 1.00 0.00 O ATOM 709 CB LYS A 178 16.766 4.544 -9.195 1.00 0.00 C ATOM 710 CG LYS A 178 17.064 4.221 -7.729 1.00 0.00 C ATOM 711 CD LYS A 178 17.854 2.916 -7.606 1.00 0.00 C ATOM 712 CE LYS A 178 17.283 1.839 -8.529 1.00 0.00 C ATOM 713 NZ LYS A 178 17.234 0.533 -7.835 1.00 0.00 N ATOM 0 H LYS A 178 15.050 5.999 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 178 15.137 4.842 -10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.125 3.734 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.306 5.444 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.631 5.037 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.130 4.139 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 178 18.900 3.095 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 178 17.827 2.567 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 178 16.282 2.123 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 178 17.897 1.758 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 16.957 -0.208 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 18.172 0.312 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 16.539 0.576 -7.063 1.00 0.00 H new ATOM 727 N ARG A 179 13.961 2.792 -9.950 1.00 0.00 N ATOM 728 CA ARG A 179 13.137 1.629 -9.671 1.00 0.00 C ATOM 729 C ARG A 179 14.017 0.407 -9.400 1.00 0.00 C ATOM 730 O ARG A 179 14.829 0.024 -10.239 1.00 0.00 O ATOM 731 CB ARG A 179 12.200 1.325 -10.842 1.00 0.00 C ATOM 732 CG ARG A 179 11.977 2.569 -11.703 1.00 0.00 C ATOM 733 CD ARG A 179 10.739 2.408 -12.589 1.00 0.00 C ATOM 734 NE ARG A 179 9.897 3.623 -12.509 1.00 0.00 N ATOM 735 CZ ARG A 179 9.025 3.996 -13.455 1.00 0.00 C ATOM 736 NH1 ARG A 179 8.873 3.251 -14.558 1.00 0.00 N ATOM 737 NH2 ARG A 179 8.303 5.114 -13.297 1.00 0.00 N ATOM 0 H ARG A 179 14.152 2.952 -10.939 1.00 0.00 H new ATOM 0 HA ARG A 179 12.537 1.851 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.622 0.527 -11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.244 0.964 -10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 179 11.859 3.443 -11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.854 2.747 -12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 179 11.041 2.232 -13.621 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.166 1.537 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 179 9.986 4.213 -11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 179 9.421 2.399 -14.678 1.00 0.00 H new ATOM 0 HH12 ARG A 179 8.209 3.535 -15.278 1.00 0.00 H new ATOM 0 HH21 ARG A 179 8.418 5.681 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 179 7.639 5.398 -14.017 1.00 0.00 H new ATOM 751 N GLY A 180 13.825 -0.171 -8.223 1.00 0.00 N ATOM 752 CA GLY A 180 14.591 -1.341 -7.831 1.00 0.00 C ATOM 753 C GLY A 180 13.727 -2.318 -7.028 1.00 0.00 C ATOM 754 O GLY A 180 12.788 -1.907 -6.348 1.00 0.00 O ATOM 0 H GLY A 180 13.150 0.149 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.981 -1.839 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.450 -1.035 -7.234 1.00 0.00 H new ATOM 758 N MET A 181 14.076 -3.591 -7.136 1.00 0.00 N ATOM 759 CA MET A 181 13.345 -4.629 -6.428 1.00 0.00 C ATOM 760 C MET A 181 14.126 -5.113 -5.205 1.00 0.00 C ATOM 761 O MET A 181 15.341 -5.294 -5.271 1.00 0.00 O ATOM 762 CB MET A 181 13.092 -5.807 -7.371 1.00 0.00 C ATOM 763 CG MET A 181 14.384 -6.578 -7.647 1.00 0.00 C ATOM 764 SD MET A 181 14.442 -7.083 -9.357 1.00 0.00 S ATOM 765 CE MET A 181 12.769 -7.674 -9.562 1.00 0.00 C ATOM 0 H MET A 181 14.855 -3.928 -7.702 1.00 0.00 H new ATOM 0 HA MET A 181 12.397 -4.213 -6.088 1.00 0.00 H new ATOM 0 HB2 MET A 181 12.352 -6.476 -6.932 1.00 0.00 H new ATOM 0 HB3 MET A 181 12.675 -5.442 -8.310 1.00 0.00 H new ATOM 0 HG2 MET A 181 15.246 -5.953 -7.415 1.00 0.00 H new ATOM 0 HG3 MET A 181 14.440 -7.453 -6.999 1.00 0.00 H new ATOM 0 HE1 MET A 181 12.747 -8.444 -10.333 1.00 0.00 H new ATOM 0 HE2 MET A 181 12.413 -8.093 -8.621 1.00 0.00 H new ATOM 0 HE3 MET A 181 12.124 -6.846 -9.857 1.00 0.00 H new ATOM 775 N ILE A 182 13.396 -5.308 -4.116 1.00 0.00 N ATOM 776 CA ILE A 182 14.005 -5.768 -2.879 1.00 0.00 C ATOM 777 C ILE A 182 12.989 -6.599 -2.093 1.00 0.00 C ATOM 778 O ILE A 182 11.818 -6.667 -2.464 1.00 0.00 O ATOM 779 CB ILE A 182 14.575 -4.586 -2.091 1.00 0.00 C ATOM 780 CG1 ILE A 182 16.049 -4.811 -1.754 1.00 0.00 C ATOM 781 CG2 ILE A 182 13.737 -4.307 -0.842 1.00 0.00 C ATOM 782 CD1 ILE A 182 16.927 -3.728 -2.384 1.00 0.00 C ATOM 0 H ILE A 182 12.389 -5.156 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 182 14.853 -6.419 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 182 14.522 -3.698 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 182 16.183 -4.809 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 182 16.362 -5.792 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 182 14.163 -3.463 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 182 12.714 -4.071 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 182 13.736 -5.188 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 182 17.971 -3.912 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 182 16.809 -3.749 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 182 16.627 -2.751 -2.005 1.00 0.00 H new ATOM 794 N PRO A 183 13.486 -7.226 -0.995 1.00 0.00 N ATOM 795 CA PRO A 183 12.635 -8.050 -0.153 1.00 0.00 C ATOM 796 C PRO A 183 11.718 -7.185 0.713 1.00 0.00 C ATOM 797 O PRO A 183 12.106 -6.100 1.143 1.00 0.00 O ATOM 798 CB PRO A 183 13.594 -8.901 0.663 1.00 0.00 C ATOM 799 CG PRO A 183 14.941 -8.200 0.588 1.00 0.00 C ATOM 800 CD PRO A 183 14.868 -7.167 -0.525 1.00 0.00 C ATOM 0 HA PRO A 183 11.957 -8.680 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.256 -8.989 1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 183 13.657 -9.912 0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.175 -7.721 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.735 -8.920 0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 183 15.120 -6.172 -0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.569 -7.398 -1.327 1.00 0.00 H new ATOM 808 N VAL A 184 10.518 -7.697 0.944 1.00 0.00 N ATOM 809 CA VAL A 184 9.542 -6.984 1.751 1.00 0.00 C ATOM 810 C VAL A 184 9.978 -7.019 3.217 1.00 0.00 C ATOM 811 O VAL A 184 9.686 -6.097 3.977 1.00 0.00 O ATOM 812 CB VAL A 184 8.148 -7.573 1.527 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.200 -7.183 2.663 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.584 -7.145 0.171 1.00 0.00 C ATOM 0 H VAL A 184 10.199 -8.597 0.586 1.00 0.00 H new ATOM 0 HA VAL A 184 9.489 -5.937 1.452 1.00 0.00 H new ATOM 0 HB VAL A 184 8.239 -8.659 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.216 -7.614 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.591 -7.559 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 184 7.117 -6.097 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.592 -7.577 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.514 -6.058 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.243 -7.495 -0.624 1.00 0.00 H new ATOM 824 N PRO A 185 10.687 -8.121 3.581 1.00 0.00 N ATOM 825 CA PRO A 185 11.165 -8.288 4.942 1.00 0.00 C ATOM 826 C PRO A 185 12.367 -7.382 5.216 1.00 0.00 C ATOM 827 O PRO A 185 12.868 -7.332 6.339 1.00 0.00 O ATOM 828 CB PRO A 185 11.497 -9.767 5.065 1.00 0.00 C ATOM 829 CG PRO A 185 11.634 -10.282 3.640 1.00 0.00 C ATOM 830 CD PRO A 185 11.051 -9.233 2.708 1.00 0.00 C ATOM 0 HA PRO A 185 10.424 -7.997 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.421 -9.915 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.711 -10.301 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.681 -10.467 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.108 -11.230 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.777 -8.924 1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.182 -9.617 2.174 1.00 0.00 H new ATOM 838 N TYR A 186 12.794 -6.687 4.172 1.00 0.00 N ATOM 839 CA TYR A 186 13.927 -5.785 4.287 1.00 0.00 C ATOM 840 C TYR A 186 13.463 -4.329 4.370 1.00 0.00 C ATOM 841 O TYR A 186 14.239 -3.447 4.734 1.00 0.00 O ATOM 842 CB TYR A 186 14.747 -5.973 3.008 1.00 0.00 C ATOM 843 CG TYR A 186 16.113 -6.624 3.235 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.191 -7.941 3.640 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.266 -5.894 3.035 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.476 -8.553 3.853 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.552 -6.506 3.248 1.00 0.00 C ATOM 848 CZ TYR A 186 18.594 -7.806 3.646 1.00 0.00 C ATOM 849 OH TYR A 186 19.808 -8.384 3.848 1.00 0.00 O ATOM 0 H TYR A 186 12.376 -6.730 3.243 1.00 0.00 H new ATOM 0 HA TYR A 186 14.500 -6.003 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.176 -6.584 2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 186 14.893 -5.001 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.288 -8.512 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.204 -4.863 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.551 -9.583 4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.462 -5.946 3.095 1.00 0.00 H new ATOM 0 HH TYR A 186 20.516 -7.732 3.661 1.00 0.00 H new ATOM 859 N VAL A 187 12.200 -4.124 4.028 1.00 0.00 N ATOM 860 CA VAL A 187 11.623 -2.791 4.061 1.00 0.00 C ATOM 861 C VAL A 187 10.275 -2.840 4.782 1.00 0.00 C ATOM 862 O VAL A 187 9.752 -3.919 5.054 1.00 0.00 O ATOM 863 CB VAL A 187 11.520 -2.230 2.641 1.00 0.00 C ATOM 864 CG1 VAL A 187 12.906 -2.077 2.010 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.615 -3.105 1.770 1.00 0.00 C ATOM 0 H VAL A 187 11.560 -4.859 3.727 1.00 0.00 H new ATOM 0 HA VAL A 187 12.266 -2.111 4.620 1.00 0.00 H new ATOM 0 HB VAL A 187 11.069 -1.240 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 187 12.804 -1.677 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 187 13.507 -1.395 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.395 -3.050 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.559 -2.684 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 187 11.025 -4.114 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.616 -3.141 2.205 1.00 0.00 H new ATOM 875 N GLU A 188 9.751 -1.657 5.073 1.00 0.00 N ATOM 876 CA GLU A 188 8.475 -1.553 5.758 1.00 0.00 C ATOM 877 C GLU A 188 7.552 -0.584 5.015 1.00 0.00 C ATOM 878 O GLU A 188 7.843 -0.184 3.889 1.00 0.00 O ATOM 879 CB GLU A 188 8.666 -1.119 7.212 1.00 0.00 C ATOM 880 CG GLU A 188 9.616 -2.068 7.947 1.00 0.00 C ATOM 881 CD GLU A 188 8.844 -2.991 8.892 1.00 0.00 C ATOM 882 OE1 GLU A 188 7.762 -3.457 8.473 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.353 -3.210 10.013 1.00 0.00 O ATOM 0 H GLU A 188 10.188 -0.764 4.846 1.00 0.00 H new ATOM 0 HA GLU A 188 8.008 -2.538 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 188 9.063 -0.104 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.701 -1.099 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.172 -2.664 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.347 -1.491 8.513 1.00 0.00 H new ATOM 890 N LYS A 189 6.456 -0.237 5.675 1.00 0.00 N ATOM 891 CA LYS A 189 5.489 0.676 5.090 1.00 0.00 C ATOM 892 C LYS A 189 5.777 2.098 5.576 1.00 0.00 C ATOM 893 O LYS A 189 6.621 2.300 6.448 1.00 0.00 O ATOM 894 CB LYS A 189 4.063 0.204 5.382 1.00 0.00 C ATOM 895 CG LYS A 189 3.223 0.176 4.104 1.00 0.00 C ATOM 896 CD LYS A 189 3.727 -0.898 3.138 1.00 0.00 C ATOM 897 CE LYS A 189 2.621 -1.901 2.807 1.00 0.00 C ATOM 898 NZ LYS A 189 3.188 -3.106 2.162 1.00 0.00 N ATOM 0 H LYS A 189 6.217 -0.572 6.608 1.00 0.00 H new ATOM 0 HA LYS A 189 5.582 0.685 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.089 -0.791 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.599 0.867 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.180 -0.016 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.260 1.152 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.084 -0.429 2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 189 4.576 -1.420 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.094 -2.183 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 189 1.889 -1.438 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 2.434 -3.619 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 3.924 -2.823 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 3.605 -3.724 2.887 1.00 0.00 H new