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 172:sc= -0.0937 (180deg=-0.151) 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 126:sc= 0.107 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,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 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 -5.162 3.152 -4.988 1.00 0.00 N ATOM 82 CA ILE A 130 -5.994 3.282 -3.801 1.00 0.00 C ATOM 83 C ILE A 130 -5.196 2.937 -2.551 1.00 0.00 C ATOM 84 O ILE A 130 -4.809 1.787 -2.343 1.00 0.00 O ATOM 85 CB ILE A 130 -7.242 2.381 -3.885 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.004 2.669 -5.175 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.143 2.597 -2.677 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.630 1.752 -6.320 1.00 0.00 C ATOM 0 HA ILE A 130 -6.324 4.319 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.921 1.339 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.073 2.579 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.820 3.701 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.018 1.952 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.595 2.355 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.462 3.639 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.212 2.016 -7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.568 1.859 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.841 0.719 -6.043 1.00 0.00 H new ATOM 100 N ALA A 131 -4.945 3.947 -1.729 1.00 0.00 N ATOM 101 CA ALA A 131 -4.183 3.763 -0.500 1.00 0.00 C ATOM 102 C ALA A 131 -4.301 4.981 0.408 1.00 0.00 C ATOM 103 O ALA A 131 -4.500 6.100 -0.063 1.00 0.00 O ATOM 104 CB ALA A 131 -2.723 3.487 -0.826 1.00 0.00 C ATOM 0 H ALA A 131 -5.258 4.904 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.597 2.906 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.163 3.351 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.650 2.583 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.309 4.329 -1.381 1.00 0.00 H new ATOM 110 N MET A 132 -4.174 4.756 1.711 1.00 0.00 N ATOM 111 CA MET A 132 -4.264 5.838 2.684 1.00 0.00 C ATOM 112 C MET A 132 -3.204 6.903 2.408 1.00 0.00 C ATOM 113 O MET A 132 -2.209 6.639 1.732 1.00 0.00 O ATOM 114 CB MET A 132 -4.102 5.290 4.104 1.00 0.00 C ATOM 115 CG MET A 132 -5.407 5.224 4.881 1.00 0.00 C ATOM 116 SD MET A 132 -5.150 5.094 6.661 1.00 0.00 S ATOM 117 CE MET A 132 -4.737 6.788 7.069 1.00 0.00 C ATOM 0 H MET A 132 -4.009 3.835 2.117 1.00 0.00 H new ATOM 0 HA MET A 132 -5.248 6.298 2.593 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.668 4.291 4.052 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.395 5.917 4.648 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.998 6.115 4.667 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.987 4.367 4.538 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.689 6.900 8.152 1.00 0.00 H new ATOM 0 HE2 MET A 132 -3.770 7.041 6.635 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.500 7.455 6.669 1.00 0.00 H new ATOM 127 N PRO A 133 -3.404 8.125 2.930 1.00 0.00 N ATOM 128 CA PRO A 133 -2.458 9.230 2.736 1.00 0.00 C ATOM 129 C PRO A 133 -1.082 8.921 3.313 1.00 0.00 C ATOM 130 O PRO A 133 -0.073 9.466 2.864 1.00 0.00 O ATOM 131 CB PRO A 133 -3.105 10.400 3.489 1.00 0.00 C ATOM 132 CG PRO A 133 -4.071 9.770 4.432 1.00 0.00 C ATOM 133 CD PRO A 133 -4.559 8.525 3.750 1.00 0.00 C ATOM 0 HA PRO A 133 -2.286 9.434 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.357 10.986 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.611 11.079 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.592 9.533 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.898 10.445 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.832 7.752 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.441 8.718 3.139 1.00 0.00 H new ATOM 141 N SER A 134 -1.047 8.043 4.310 1.00 0.00 N ATOM 142 CA SER A 134 0.207 7.661 4.948 1.00 0.00 C ATOM 143 C SER A 134 0.822 6.443 4.267 1.00 0.00 C ATOM 144 O SER A 134 2.043 6.289 4.234 1.00 0.00 O ATOM 145 CB SER A 134 -0.022 7.367 6.433 1.00 0.00 C ATOM 146 OG SER A 134 -0.514 8.510 7.109 1.00 0.00 O ATOM 0 H SER A 134 -1.873 7.583 4.693 1.00 0.00 H new ATOM 0 HA SER A 134 0.901 8.495 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.730 6.545 6.539 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.913 7.044 6.891 1.00 0.00 H new ATOM 0 HG SER A 134 -0.654 8.296 8.055 1.00 0.00 H new ATOM 152 N VAL A 135 -0.029 5.575 3.729 1.00 0.00 N ATOM 153 CA VAL A 135 0.439 4.369 3.056 1.00 0.00 C ATOM 154 C VAL A 135 1.145 4.696 1.755 1.00 0.00 C ATOM 155 O VAL A 135 2.225 4.181 1.481 1.00 0.00 O ATOM 156 CB VAL A 135 -0.710 3.399 2.756 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.172 2.116 2.138 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.496 3.107 4.019 1.00 0.00 C ATOM 0 H VAL A 135 -1.043 5.684 3.746 1.00 0.00 H new ATOM 0 HA VAL A 135 1.140 3.894 3.742 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.385 3.864 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.999 1.437 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.347 2.350 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.522 1.641 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.308 2.417 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.837 2.658 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.909 4.036 4.414 1.00 0.00 H new ATOM 168 N ARG A 136 0.533 5.552 0.952 1.00 0.00 N ATOM 169 CA ARG A 136 1.121 5.934 -0.321 1.00 0.00 C ATOM 170 C ARG A 136 2.532 6.460 -0.097 1.00 0.00 C ATOM 171 O ARG A 136 3.413 6.289 -0.936 1.00 0.00 O ATOM 172 CB ARG A 136 0.263 6.998 -1.009 1.00 0.00 C ATOM 173 CG ARG A 136 -0.635 6.441 -2.101 1.00 0.00 C ATOM 174 CD ARG A 136 -1.943 7.210 -2.193 1.00 0.00 C ATOM 175 NE ARG A 136 -1.888 8.262 -3.205 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.965 8.839 -3.734 1.00 0.00 C ATOM 177 NH1 ARG A 136 -4.180 8.469 -3.349 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.826 9.789 -4.648 1.00 0.00 N ATOM 0 H ARG A 136 -0.364 5.992 1.157 1.00 0.00 H new ATOM 0 HA ARG A 136 1.164 5.057 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.354 7.495 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.916 7.757 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.116 6.487 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.843 5.390 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.753 6.521 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.173 7.651 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.971 8.573 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.292 7.740 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.002 8.914 -3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.894 10.078 -4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.651 10.231 -5.053 1.00 0.00 H new ATOM 192 N LYS A 137 2.740 7.074 1.063 1.00 0.00 N ATOM 193 CA LYS A 137 4.043 7.602 1.430 1.00 0.00 C ATOM 194 C LYS A 137 4.954 6.473 1.884 1.00 0.00 C ATOM 195 O LYS A 137 6.152 6.469 1.600 1.00 0.00 O ATOM 196 CB LYS A 137 3.903 8.643 2.542 1.00 0.00 C ATOM 197 CG LYS A 137 5.198 9.370 2.862 1.00 0.00 C ATOM 198 CD LYS A 137 5.589 10.327 1.748 1.00 0.00 C ATOM 199 CE LYS A 137 4.979 11.703 1.955 1.00 0.00 C ATOM 200 NZ LYS A 137 5.865 12.591 2.758 1.00 0.00 N ATOM 0 H LYS A 137 2.016 7.217 1.767 1.00 0.00 H new ATOM 0 HA LYS A 137 4.483 8.083 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.148 9.374 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.540 8.152 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.085 9.922 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.996 8.644 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.675 10.412 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.262 9.924 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 137 4.786 12.164 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 137 4.017 11.601 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.411 13.519 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.029 12.165 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.774 12.710 2.267 1.00 0.00 H new ATOM 214 N TYR A 138 4.372 5.516 2.604 1.00 0.00 N ATOM 215 CA TYR A 138 5.130 4.382 3.111 1.00 0.00 C ATOM 216 C TYR A 138 5.618 3.496 1.972 1.00 0.00 C ATOM 217 O TYR A 138 6.795 3.148 1.911 1.00 0.00 O ATOM 218 CB TYR A 138 4.265 3.568 4.066 1.00 0.00 C ATOM 219 CG TYR A 138 4.951 2.318 4.559 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.113 2.392 5.313 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.446 1.064 4.250 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.753 1.249 5.748 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.076 -0.081 4.683 1.00 0.00 C ATOM 224 CZ TYR A 138 6.230 0.013 5.432 1.00 0.00 C ATOM 225 OH TYR A 138 6.861 -1.130 5.864 1.00 0.00 O ATOM 0 H TYR A 138 3.381 5.506 2.847 1.00 0.00 H new ATOM 0 HA TYR A 138 6.001 4.764 3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.993 4.188 4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.338 3.293 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.523 3.359 5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.545 0.984 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.658 1.322 6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.668 -1.050 4.437 1.00 0.00 H new ATOM 0 HH TYR A 138 6.222 -1.692 6.350 1.00 0.00 H new ATOM 235 N ALA A 139 4.720 3.160 1.053 1.00 0.00 N ATOM 236 CA ALA A 139 5.090 2.350 -0.094 1.00 0.00 C ATOM 237 C ALA A 139 6.040 3.149 -0.960 1.00 0.00 C ATOM 238 O ALA A 139 7.078 2.659 -1.392 1.00 0.00 O ATOM 239 CB ALA A 139 3.860 1.937 -0.890 1.00 0.00 C ATOM 0 H ALA A 139 3.738 3.435 1.082 1.00 0.00 H new ATOM 0 HA ALA A 139 5.578 1.437 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.165 1.331 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.193 1.356 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.340 2.827 -1.244 1.00 0.00 H new ATOM 245 N ARG A 140 5.682 4.407 -1.180 1.00 0.00 N ATOM 246 CA ARG A 140 6.506 5.306 -1.968 1.00 0.00 C ATOM 247 C ARG A 140 7.924 5.360 -1.400 1.00 0.00 C ATOM 248 O ARG A 140 8.894 5.534 -2.137 1.00 0.00 O ATOM 249 CB ARG A 140 5.889 6.706 -1.976 1.00 0.00 C ATOM 250 CG ARG A 140 6.693 7.723 -2.769 1.00 0.00 C ATOM 251 CD ARG A 140 6.033 8.033 -4.103 1.00 0.00 C ATOM 252 NE ARG A 140 6.754 7.434 -5.225 1.00 0.00 N ATOM 253 CZ ARG A 140 7.854 7.956 -5.762 1.00 0.00 C ATOM 254 NH1 ARG A 140 8.365 9.084 -5.285 1.00 0.00 N ATOM 255 NH2 ARG A 140 8.445 7.348 -6.781 1.00 0.00 N ATOM 0 H ARG A 140 4.824 4.826 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 140 6.554 4.933 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.883 6.648 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.790 7.056 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.794 8.641 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.699 7.341 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.007 7.665 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.983 9.113 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 140 6.393 6.565 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.914 9.557 -4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 140 9.208 9.478 -5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 140 8.057 6.481 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 140 9.288 7.747 -7.194 1.00 0.00 H new ATOM 269 N GLU A 141 8.029 5.202 -0.082 1.00 0.00 N ATOM 270 CA GLU A 141 9.318 5.223 0.595 1.00 0.00 C ATOM 271 C GLU A 141 9.977 3.853 0.550 1.00 0.00 C ATOM 272 O GLU A 141 11.195 3.739 0.409 1.00 0.00 O ATOM 273 CB GLU A 141 9.137 5.665 2.046 1.00 0.00 C ATOM 274 CG GLU A 141 8.940 7.162 2.209 1.00 0.00 C ATOM 275 CD GLU A 141 10.198 7.951 1.903 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.294 7.497 2.292 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.088 9.024 1.272 1.00 0.00 O ATOM 0 H GLU A 141 7.232 5.058 0.538 1.00 0.00 H new ATOM 0 HA GLU A 141 9.965 5.933 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.277 5.146 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.010 5.358 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.138 7.493 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.621 7.374 3.230 1.00 0.00 H new ATOM 284 N LYS A 142 9.160 2.816 0.682 1.00 0.00 N ATOM 285 CA LYS A 142 9.647 1.443 0.673 1.00 0.00 C ATOM 286 C LYS A 142 9.820 0.913 -0.751 1.00 0.00 C ATOM 287 O LYS A 142 9.751 -0.295 -0.979 1.00 0.00 O ATOM 288 CB LYS A 142 8.665 0.555 1.440 1.00 0.00 C ATOM 289 CG LYS A 142 8.590 0.843 2.936 1.00 0.00 C ATOM 290 CD LYS A 142 9.947 1.202 3.523 1.00 0.00 C ATOM 291 CE LYS A 142 9.839 1.550 4.997 1.00 0.00 C ATOM 292 NZ LYS A 142 11.174 1.791 5.612 1.00 0.00 N ATOM 0 H LYS A 142 8.150 2.901 0.797 1.00 0.00 H new ATOM 0 HA LYS A 142 10.625 1.425 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.671 0.677 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.949 -0.488 1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.892 1.662 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.193 -0.031 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.633 0.365 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.369 2.047 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.219 2.439 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.337 0.739 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.055 2.025 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.757 0.935 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.643 2.582 5.125 1.00 0.00 H new ATOM 306 N GLY A 143 10.040 1.812 -1.709 1.00 0.00 N ATOM 307 CA GLY A 143 10.213 1.393 -3.091 1.00 0.00 C ATOM 308 C GLY A 143 9.062 0.534 -3.583 1.00 0.00 C ATOM 309 O GLY A 143 9.204 -0.223 -4.543 1.00 0.00 O ATOM 0 H GLY A 143 10.101 2.818 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.303 2.274 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.145 0.836 -3.185 1.00 0.00 H new ATOM 313 N VAL A 144 7.919 0.656 -2.917 1.00 0.00 N ATOM 314 CA VAL A 144 6.728 -0.103 -3.270 1.00 0.00 C ATOM 315 C VAL A 144 5.651 0.812 -3.842 1.00 0.00 C ATOM 316 O VAL A 144 5.465 1.937 -3.381 1.00 0.00 O ATOM 317 CB VAL A 144 6.161 -0.842 -2.039 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.784 -1.426 -2.333 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.120 -1.930 -1.587 1.00 0.00 C ATOM 0 H VAL A 144 7.793 1.281 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 144 7.018 -0.833 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 144 6.050 -0.118 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.410 -1.940 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.098 -0.623 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.857 -2.133 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.706 -2.442 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.265 -2.647 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.078 -1.483 -1.322 1.00 0.00 H new ATOM 329 N ASP A 145 4.936 0.308 -4.838 1.00 0.00 N ATOM 330 CA ASP A 145 3.864 1.062 -5.467 1.00 0.00 C ATOM 331 C ASP A 145 2.532 0.363 -5.236 1.00 0.00 C ATOM 332 O ASP A 145 2.405 -0.840 -5.464 1.00 0.00 O ATOM 333 CB ASP A 145 4.126 1.217 -6.967 1.00 0.00 C ATOM 334 CG ASP A 145 3.255 2.286 -7.598 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.034 2.057 -7.726 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.794 3.352 -7.963 1.00 0.00 O ATOM 0 H ASP A 145 5.081 -0.623 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 145 3.826 2.055 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.175 1.466 -7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.946 0.264 -7.465 1.00 0.00 H new ATOM 341 N ILE A 146 1.542 1.119 -4.782 1.00 0.00 N ATOM 342 CA ILE A 146 0.219 0.566 -4.519 1.00 0.00 C ATOM 343 C ILE A 146 -0.295 -0.230 -5.719 1.00 0.00 C ATOM 344 O ILE A 146 -1.148 -1.107 -5.573 1.00 0.00 O ATOM 345 CB ILE A 146 -0.798 1.676 -4.178 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.265 2.565 -3.049 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.140 1.073 -3.790 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.080 1.834 -1.738 1.00 0.00 C ATOM 0 H ILE A 146 1.629 2.117 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 146 0.320 -0.100 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.941 2.292 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.690 2.993 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.953 3.397 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.843 1.872 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.527 0.483 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.012 0.432 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.300 2.526 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.037 1.430 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.631 1.019 -1.873 1.00 0.00 H new ATOM 360 N ARG A 147 0.235 0.073 -6.903 1.00 0.00 N ATOM 361 CA ARG A 147 -0.172 -0.622 -8.118 1.00 0.00 C ATOM 362 C ARG A 147 0.199 -2.097 -8.036 1.00 0.00 C ATOM 363 O ARG A 147 -0.529 -2.963 -8.521 1.00 0.00 O ATOM 364 CB ARG A 147 0.488 0.015 -9.342 1.00 0.00 C ATOM 365 CG ARG A 147 -0.182 1.300 -9.795 1.00 0.00 C ATOM 366 CD ARG A 147 0.737 2.130 -10.677 1.00 0.00 C ATOM 367 NE ARG A 147 0.473 1.917 -12.098 1.00 0.00 N ATOM 368 CZ ARG A 147 0.998 0.922 -12.812 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.817 0.045 -12.244 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.703 0.803 -14.099 1.00 0.00 N ATOM 0 H ARG A 147 0.944 0.792 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.254 -0.537 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.534 0.221 -9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.476 -0.700 -10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.094 1.062 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.476 1.885 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.610 3.186 -10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.774 1.876 -10.459 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.151 2.570 -12.572 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.048 0.130 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.215 -0.714 -12.797 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.074 1.473 -14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.105 0.042 -14.646 1.00 0.00 H new ATOM 384 N LEU A 148 1.336 -2.371 -7.411 1.00 0.00 N ATOM 385 CA LEU A 148 1.816 -3.733 -7.249 1.00 0.00 C ATOM 386 C LEU A 148 1.205 -4.384 -6.010 1.00 0.00 C ATOM 387 O LEU A 148 1.435 -5.562 -5.741 1.00 0.00 O ATOM 388 CB LEU A 148 3.343 -3.745 -7.139 1.00 0.00 C ATOM 389 CG LEU A 148 4.056 -2.555 -7.783 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.550 -2.621 -7.517 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.776 -2.511 -9.277 1.00 0.00 C ATOM 0 H LEU A 148 1.946 -1.661 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 148 1.513 -4.305 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.614 -3.782 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.716 -4.661 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 148 3.671 -1.638 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.041 -1.766 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.729 -2.601 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.954 -3.543 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.291 -1.658 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.133 -3.430 -9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.703 -2.413 -9.443 1.00 0.00 H new ATOM 403 N VAL A 149 0.429 -3.609 -5.254 1.00 0.00 N ATOM 404 CA VAL A 149 -0.203 -4.115 -4.044 1.00 0.00 C ATOM 405 C VAL A 149 -1.719 -4.164 -4.192 1.00 0.00 C ATOM 406 O VAL A 149 -2.311 -3.351 -4.902 1.00 0.00 O ATOM 407 CB VAL A 149 0.151 -3.245 -2.823 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.240 -3.948 -1.535 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.633 -2.897 -2.821 1.00 0.00 C ATOM 0 H VAL A 149 0.225 -2.631 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 149 0.177 -5.125 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.415 -2.316 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.018 -3.318 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.314 -4.136 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.295 -4.895 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.861 -2.282 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.222 -3.813 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.879 -2.346 -3.729 1.00 0.00 H new ATOM 419 N GLN A 150 -2.341 -5.121 -3.514 1.00 0.00 N ATOM 420 CA GLN A 150 -3.790 -5.275 -3.565 1.00 0.00 C ATOM 421 C GLN A 150 -4.430 -4.826 -2.255 1.00 0.00 C ATOM 422 O GLN A 150 -4.394 -5.543 -1.254 1.00 0.00 O ATOM 423 CB GLN A 150 -4.158 -6.724 -3.867 1.00 0.00 C ATOM 424 CG GLN A 150 -3.745 -7.669 -2.768 1.00 0.00 C ATOM 425 CD GLN A 150 -3.462 -9.072 -3.269 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.326 -9.718 -3.862 1.00 0.00 O ATOM 427 NE2 GLN A 150 -2.246 -9.549 -3.034 1.00 0.00 N ATOM 0 H GLN A 150 -1.865 -5.802 -2.922 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.173 -4.642 -4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -5.235 -6.797 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -3.684 -7.028 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -2.854 -7.278 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.533 -7.710 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -1.561 -8.978 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -1.996 -10.486 -3.349 1.00 0.00 H new ATOM 436 N GLY A 151 -5.010 -3.631 -2.266 1.00 0.00 N ATOM 437 CA GLY A 151 -5.642 -3.105 -1.073 1.00 0.00 C ATOM 438 C GLY A 151 -6.807 -3.954 -0.606 1.00 0.00 C ATOM 439 O GLY A 151 -7.693 -4.290 -1.390 1.00 0.00 O ATOM 0 H GLY A 151 -5.053 -3.018 -3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.903 -3.039 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.992 -2.091 -1.269 1.00 0.00 H new ATOM 443 N THR A 152 -6.804 -4.300 0.677 1.00 0.00 N ATOM 444 CA THR A 152 -7.867 -5.113 1.255 1.00 0.00 C ATOM 445 C THR A 152 -8.600 -4.349 2.355 1.00 0.00 C ATOM 446 O THR A 152 -9.164 -4.950 3.269 1.00 0.00 O ATOM 447 CB THR A 152 -7.294 -6.416 1.816 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.912 -6.276 2.096 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.455 -7.593 0.879 1.00 0.00 C ATOM 0 H THR A 152 -6.075 -4.029 1.337 1.00 0.00 H new ATOM 0 HA THR A 152 -8.580 -5.349 0.465 1.00 0.00 H new ATOM 0 HB THR A 152 -7.863 -6.615 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.564 -7.119 2.455 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.028 -8.485 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.514 -7.759 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.939 -7.385 -0.059 1.00 0.00 H new ATOM 457 N GLY A 153 -8.581 -3.021 2.269 1.00 0.00 N ATOM 458 CA GLY A 153 -9.241 -2.206 3.274 1.00 0.00 C ATOM 459 C GLY A 153 -10.408 -1.409 2.721 1.00 0.00 C ATOM 460 O GLY A 153 -10.346 -0.894 1.606 1.00 0.00 O ATOM 0 H GLY A 153 -8.122 -2.497 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.597 -2.849 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.515 -1.520 3.711 1.00 0.00 H new ATOM 464 N LYS A 154 -11.471 -1.304 3.513 1.00 0.00 N ATOM 465 CA LYS A 154 -12.665 -0.560 3.119 1.00 0.00 C ATOM 466 C LYS A 154 -13.147 -0.962 1.721 1.00 0.00 C ATOM 467 O LYS A 154 -13.943 -1.889 1.577 1.00 0.00 O ATOM 468 CB LYS A 154 -12.395 0.946 3.180 1.00 0.00 C ATOM 469 CG LYS A 154 -12.832 1.587 4.488 1.00 0.00 C ATOM 470 CD LYS A 154 -14.347 1.607 4.619 1.00 0.00 C ATOM 471 CE LYS A 154 -14.977 2.606 3.661 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.424 3.841 4.364 1.00 0.00 N ATOM 0 H LYS A 154 -11.530 -1.728 4.439 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.459 -0.808 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.329 1.122 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.913 1.434 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.400 1.039 5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.447 2.605 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.743 0.611 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.621 1.861 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.258 2.869 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -15.829 2.144 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.848 4.497 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.129 3.593 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.607 4.296 4.819 1.00 0.00 H new ATOM 486 N ASN A 155 -12.673 -0.255 0.694 1.00 0.00 N ATOM 487 CA ASN A 155 -13.073 -0.544 -0.679 1.00 0.00 C ATOM 488 C ASN A 155 -11.896 -1.055 -1.502 1.00 0.00 C ATOM 489 O ASN A 155 -11.798 -0.780 -2.698 1.00 0.00 O ATOM 490 CB ASN A 155 -13.661 0.707 -1.333 1.00 0.00 C ATOM 491 CG ASN A 155 -15.147 0.855 -1.069 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.956 0.061 -1.550 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.513 1.874 -0.302 1.00 0.00 N ATOM 0 H ASN A 155 -12.015 0.518 0.789 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.832 -1.325 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.139 1.588 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.488 0.666 -2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.499 2.024 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.808 2.507 0.075 1.00 0.00 H new ATOM 500 N GLY A 156 -11.006 -1.802 -0.859 1.00 0.00 N ATOM 501 CA GLY A 156 -9.851 -2.340 -1.553 1.00 0.00 C ATOM 502 C GLY A 156 -8.654 -1.408 -1.511 1.00 0.00 C ATOM 503 O GLY A 156 -7.799 -1.446 -2.395 1.00 0.00 O ATOM 0 H GLY A 156 -11.063 -2.045 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.577 -3.296 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.116 -2.537 -2.592 1.00 0.00 H new ATOM 507 N ARG A 157 -8.598 -0.567 -0.483 1.00 0.00 N ATOM 508 CA ARG A 157 -7.502 0.383 -0.327 1.00 0.00 C ATOM 509 C ARG A 157 -6.292 -0.285 0.320 1.00 0.00 C ATOM 510 O ARG A 157 -6.435 -1.129 1.205 1.00 0.00 O ATOM 511 CB ARG A 157 -7.961 1.574 0.516 1.00 0.00 C ATOM 512 CG ARG A 157 -6.876 2.611 0.757 1.00 0.00 C ATOM 513 CD ARG A 157 -7.393 3.776 1.583 1.00 0.00 C ATOM 514 NE ARG A 157 -7.854 4.881 0.745 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.670 5.844 1.169 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.114 5.844 2.420 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.041 6.810 0.340 1.00 0.00 N ATOM 0 H ARG A 157 -9.300 -0.524 0.256 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.208 0.736 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.805 2.054 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.321 1.209 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.034 2.146 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.504 2.979 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.212 3.436 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.603 4.129 2.246 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.532 4.917 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.830 5.104 3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.739 6.584 2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.701 6.815 -0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.666 7.548 0.664 1.00 0.00 H new ATOM 531 N VAL A 158 -5.098 0.094 -0.129 1.00 0.00 N ATOM 532 CA VAL A 158 -3.866 -0.475 0.406 1.00 0.00 C ATOM 533 C VAL A 158 -3.531 0.119 1.767 1.00 0.00 C ATOM 534 O VAL A 158 -3.569 1.335 1.960 1.00 0.00 O ATOM 535 CB VAL A 158 -2.674 -0.264 -0.557 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.342 -0.533 0.135 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.816 -1.155 -1.777 1.00 0.00 C ATOM 0 H VAL A 158 -4.959 0.791 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.037 -1.546 0.517 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.685 0.779 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.527 -0.375 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.227 0.146 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.319 -1.563 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.970 -0.995 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.839 -2.199 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.741 -0.912 -2.299 1.00 0.00 H new ATOM 547 N LEU A 159 -3.191 -0.757 2.703 1.00 0.00 N ATOM 548 CA LEU A 159 -2.831 -0.346 4.050 1.00 0.00 C ATOM 549 C LEU A 159 -1.333 -0.517 4.266 1.00 0.00 C ATOM 550 O LEU A 159 -0.669 -1.216 3.505 1.00 0.00 O ATOM 551 CB LEU A 159 -3.601 -1.179 5.075 1.00 0.00 C ATOM 552 CG LEU A 159 -5.112 -0.922 5.134 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.691 -1.439 6.440 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.420 0.560 4.965 1.00 0.00 C ATOM 0 H LEU A 159 -3.157 -1.765 2.550 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.091 0.705 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.438 -2.234 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.179 -0.989 6.062 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.578 -1.462 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.764 -1.248 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.512 -2.511 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.213 -0.929 7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.498 0.715 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.938 1.125 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.045 0.902 4.000 1.00 0.00 H new ATOM 566 N LYS A 160 -0.798 0.110 5.307 1.00 0.00 N ATOM 567 CA LYS A 160 0.625 -0.012 5.595 1.00 0.00 C ATOM 568 C LYS A 160 0.997 -1.483 5.730 1.00 0.00 C ATOM 569 O LYS A 160 2.099 -1.894 5.368 1.00 0.00 O ATOM 570 CB LYS A 160 0.993 0.747 6.870 1.00 0.00 C ATOM 571 CG LYS A 160 2.494 0.886 7.079 1.00 0.00 C ATOM 572 CD LYS A 160 2.892 0.554 8.509 1.00 0.00 C ATOM 573 CE LYS A 160 4.309 0.008 8.582 1.00 0.00 C ATOM 574 NZ LYS A 160 5.280 1.041 9.037 1.00 0.00 N ATOM 0 H LYS A 160 -1.319 0.699 5.957 1.00 0.00 H new ATOM 0 HA LYS A 160 1.185 0.427 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.545 1.740 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.560 0.232 7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.021 0.225 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.803 1.904 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.814 1.449 9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.197 -0.179 8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.336 -0.841 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.606 -0.362 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 6.234 0.629 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 5.273 1.841 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.012 1.376 9.984 1.00 0.00 H new ATOM 588 N GLU A 161 0.053 -2.276 6.230 1.00 0.00 N ATOM 589 CA GLU A 161 0.266 -3.706 6.384 1.00 0.00 C ATOM 590 C GLU A 161 0.433 -4.341 5.012 1.00 0.00 C ATOM 591 O GLU A 161 1.250 -5.241 4.823 1.00 0.00 O ATOM 592 CB GLU A 161 -0.907 -4.348 7.126 1.00 0.00 C ATOM 593 CG GLU A 161 -1.050 -3.875 8.564 1.00 0.00 C ATOM 594 CD GLU A 161 -0.985 -5.013 9.564 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.118 -5.562 9.767 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.036 -5.354 10.145 1.00 0.00 O ATOM 0 H GLU A 161 -0.864 -1.950 6.534 1.00 0.00 H new ATOM 0 HA GLU A 161 1.169 -3.870 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.829 -4.131 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.781 -5.431 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.261 -3.156 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.999 -3.351 8.677 1.00 0.00 H new ATOM 603 N ASP A 162 -0.340 -3.843 4.047 1.00 0.00 N ATOM 604 CA ASP A 162 -0.267 -4.339 2.678 1.00 0.00 C ATOM 605 C ASP A 162 1.124 -4.083 2.111 1.00 0.00 C ATOM 606 O ASP A 162 1.775 -4.986 1.584 1.00 0.00 O ATOM 607 CB ASP A 162 -1.321 -3.653 1.808 1.00 0.00 C ATOM 608 CG ASP A 162 -2.648 -4.382 1.817 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.659 -5.603 1.552 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.679 -3.730 2.089 1.00 0.00 O ATOM 0 H ASP A 162 -1.022 -3.098 4.190 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.462 -5.412 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.469 -2.632 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.954 -3.587 0.784 1.00 0.00 H new ATOM 615 N ILE A 163 1.572 -2.841 2.245 1.00 0.00 N ATOM 616 CA ILE A 163 2.892 -2.433 1.771 1.00 0.00 C ATOM 617 C ILE A 163 3.972 -3.354 2.324 1.00 0.00 C ATOM 618 O ILE A 163 4.755 -3.935 1.573 1.00 0.00 O ATOM 619 CB ILE A 163 3.225 -0.991 2.209 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.073 -0.045 1.884 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.513 -0.514 1.548 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.689 -0.056 0.430 1.00 0.00 C ATOM 0 H ILE A 163 1.036 -2.091 2.682 1.00 0.00 H new ATOM 0 HA ILE A 163 2.868 -2.489 0.683 1.00 0.00 H new ATOM 0 HB ILE A 163 3.371 -0.989 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.206 -0.320 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.352 0.969 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.731 0.505 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.335 -1.169 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.396 -0.536 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.864 0.638 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.544 0.247 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.380 -1.061 0.143 1.00 0.00 H new ATOM 634 N ASP A 164 4.005 -3.482 3.648 1.00 0.00 N ATOM 635 CA ASP A 164 4.985 -4.333 4.311 1.00 0.00 C ATOM 636 C ASP A 164 4.917 -5.755 3.767 1.00 0.00 C ATOM 637 O ASP A 164 5.941 -6.414 3.591 1.00 0.00 O ATOM 638 CB ASP A 164 4.748 -4.339 5.823 1.00 0.00 C ATOM 639 CG ASP A 164 6.024 -4.580 6.606 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.597 -5.682 6.482 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.448 -3.667 7.344 1.00 0.00 O ATOM 0 H ASP A 164 3.363 -3.006 4.282 1.00 0.00 H new ATOM 0 HA ASP A 164 5.978 -3.931 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.315 -3.385 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.021 -5.112 6.071 1.00 0.00 H new ATOM 646 N ALA A 165 3.700 -6.219 3.497 1.00 0.00 N ATOM 647 CA ALA A 165 3.496 -7.559 2.965 1.00 0.00 C ATOM 648 C ALA A 165 4.177 -7.709 1.610 1.00 0.00 C ATOM 649 O ALA A 165 4.757 -8.752 1.307 1.00 0.00 O ATOM 650 CB ALA A 165 2.010 -7.860 2.850 1.00 0.00 C ATOM 0 H ALA A 165 2.842 -5.686 3.638 1.00 0.00 H new ATOM 0 HA ALA A 165 3.944 -8.275 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.872 -8.865 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.548 -7.794 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.543 -7.137 2.181 1.00 0.00 H new ATOM 656 N TRP A 166 4.107 -6.656 0.801 1.00 0.00 N ATOM 657 CA TRP A 166 4.724 -6.666 -0.521 1.00 0.00 C ATOM 658 C TRP A 166 6.224 -6.914 -0.412 1.00 0.00 C ATOM 659 O TRP A 166 6.755 -7.858 -0.996 1.00 0.00 O ATOM 660 CB TRP A 166 4.472 -5.336 -1.230 1.00 0.00 C ATOM 661 CG TRP A 166 4.777 -5.374 -2.697 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.713 -4.631 -3.358 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.147 -6.197 -3.685 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.702 -4.940 -4.696 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.751 -5.898 -4.922 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.132 -7.156 -3.646 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.372 -6.524 -6.107 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.757 -7.778 -4.823 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.376 -7.460 -6.039 1.00 0.00 C ATOM 0 H TRP A 166 3.630 -5.786 1.037 1.00 0.00 H new ATOM 0 HA TRP A 166 4.276 -7.473 -1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.429 -5.051 -1.091 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.079 -4.562 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.367 -3.906 -2.896 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.304 -4.523 -5.406 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.649 -7.407 -2.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.847 -6.280 -7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.974 -8.521 -4.804 1.00 0.00 H new ATOM 0 HH2 TRP A 166 3.061 -7.964 -6.941 1.00 0.00 H new ATOM 680 N LEU A 167 6.896 -6.052 0.342 1.00 0.00 N ATOM 681 CA LEU A 167 8.337 -6.163 0.538 1.00 0.00 C ATOM 682 C LEU A 167 8.691 -7.448 1.280 1.00 0.00 C ATOM 683 O LEU A 167 9.767 -8.013 1.084 1.00 0.00 O ATOM 684 CB LEU A 167 8.853 -4.952 1.314 1.00 0.00 C ATOM 685 CG LEU A 167 8.499 -3.598 0.695 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.864 -2.680 1.727 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.733 -2.947 0.088 1.00 0.00 C ATOM 0 H LEU A 167 6.465 -5.266 0.829 1.00 0.00 H new ATOM 0 HA LEU A 167 8.814 -6.193 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.452 -4.989 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.937 -5.026 1.397 1.00 0.00 H new ATOM 0 HG LEU A 167 7.773 -3.769 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.621 -1.724 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.953 -3.139 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.562 -2.518 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.460 -1.985 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.483 -2.795 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.141 -3.594 -0.689 1.00 0.00 H new ATOM 699 N ALA A 168 7.779 -7.901 2.133 1.00 0.00 N ATOM 700 CA ALA A 168 7.996 -9.118 2.906 1.00 0.00 C ATOM 701 C ALA A 168 7.982 -10.351 2.008 1.00 0.00 C ATOM 702 O ALA A 168 8.573 -11.378 2.341 1.00 0.00 O ATOM 703 CB ALA A 168 6.940 -9.243 3.994 1.00 0.00 C ATOM 0 H ALA A 168 6.884 -7.444 2.306 1.00 0.00 H new ATOM 0 HA ALA A 168 8.979 -9.054 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.112 -10.155 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.000 -8.382 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.951 -9.281 3.538 1.00 0.00 H new