USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 133 LYS NZ :NH3+ -171:sc= -0.112 (180deg=-0.253) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.449 F(o=-2.6!,f=-0.45) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= -0.0177 (180deg=-0.249) USER MOD Single : A 142 LYS NZ :NH3+ -133:sc= 1.24 (180deg=0.602) USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 147 ASN : amide:sc= -0.313 K(o=-0.31,f=-1.6) USER MOD Single : A 148 MET CE :methyl -116:sc= -1.43 (180deg=-2.05) USER MOD Single : A 150 GLN : amide:sc= -2.04 X(o=-2,f=-2.3!) USER MOD Single : A 151 THR OG1 : rot 59:sc= 1.33 USER MOD Single : A 152 TYR OH : rot 150:sc= 0 USER MOD Single : A 161 LYS NZ :NH3+ 167:sc= -0.051 (180deg=-0.266) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 GLN :FLIP amide:sc=-0.00119 F(o=-1.8!,f=-0.0012) USER MOD Single : A 168 GLN : amide:sc= -0.766 K(o=-0.77,f=-2.6!) USER MOD Single : A 169 MET CE :methyl 162:sc= -0.301 (180deg=-1.11) USER MOD Single : A 171 GLN :FLIP amide:sc= -2.2 F(o=-5.9!,f=-2.2) USER MOD Single : A 173 SER OG : rot 173:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ -167:sc= -0.0199 (180deg=-0.252) USER MOD Single : A 175 THR OG1 : rot 69:sc= 0.276 USER MOD Single : A 176 LYS NZ :NH3+ -165:sc= -0.0472 (180deg=-0.269) USER MOD Single : A 182 MET CE :methyl 163:sc= -0.0651 (180deg=-0.452) USER MOD Single : A 183 GLN :FLIP amide:sc= -0.25 F(o=-1.3,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.776 5.264 -2.036 1.00 0.00 N ATOM 112 CA ARG A 127 14.178 3.941 -1.874 1.00 0.00 C ATOM 113 C ARG A 127 13.279 3.881 -0.641 1.00 0.00 C ATOM 114 O ARG A 127 12.137 3.426 -0.716 1.00 0.00 O ATOM 115 CB ARG A 127 15.274 2.878 -1.765 1.00 0.00 C ATOM 116 CG ARG A 127 14.750 1.450 -1.690 1.00 0.00 C ATOM 117 CD ARG A 127 14.202 0.972 -3.029 1.00 0.00 C ATOM 118 NE ARG A 127 13.019 1.721 -3.450 1.00 0.00 N ATOM 119 CZ ARG A 127 12.392 1.520 -4.606 1.00 0.00 C ATOM 120 NH1 ARG A 127 12.833 0.599 -5.453 1.00 0.00 N ATOM 121 NH2 ARG A 127 11.323 2.241 -4.915 1.00 0.00 N ATOM 0 HA ARG A 127 13.564 3.744 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.937 2.966 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.875 3.080 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.552 0.786 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.966 1.391 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.977 1.066 -3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.952 -0.087 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 127 12.654 2.438 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.655 0.042 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.350 0.447 -6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.981 2.950 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.843 2.087 -5.801 1.00 0.00 H new ATOM 135 N VAL A 128 13.802 4.335 0.494 1.00 0.00 N ATOM 136 CA VAL A 128 13.049 4.323 1.747 1.00 0.00 C ATOM 137 C VAL A 128 11.843 5.255 1.698 1.00 0.00 C ATOM 138 O VAL A 128 10.728 4.855 2.027 1.00 0.00 O ATOM 139 CB VAL A 128 13.938 4.732 2.937 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.103 4.901 4.199 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.044 3.711 3.152 1.00 0.00 C ATOM 0 H VAL A 128 14.745 4.716 0.573 1.00 0.00 H new ATOM 0 HA VAL A 128 12.700 3.299 1.882 1.00 0.00 H new ATOM 0 HB VAL A 128 14.401 5.692 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.750 5.190 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.352 5.675 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.608 3.959 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.662 4.016 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.604 2.736 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.661 3.648 2.255 1.00 0.00 H new ATOM 151 N ALA A 129 12.077 6.501 1.308 1.00 0.00 N ATOM 152 CA ALA A 129 11.013 7.497 1.242 1.00 0.00 C ATOM 153 C ALA A 129 9.898 7.078 0.285 1.00 0.00 C ATOM 154 O ALA A 129 8.717 7.228 0.595 1.00 0.00 O ATOM 155 CB ALA A 129 11.587 8.843 0.835 1.00 0.00 C ATOM 0 H ALA A 129 12.996 6.848 1.032 1.00 0.00 H new ATOM 0 HA ALA A 129 10.571 7.580 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.786 9.581 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.329 9.159 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.058 8.757 -0.144 1.00 0.00 H new ATOM 161 N GLY A 130 10.279 6.560 -0.877 1.00 0.00 N ATOM 162 CA GLY A 130 9.296 6.136 -1.859 1.00 0.00 C ATOM 163 C GLY A 130 8.431 4.990 -1.369 1.00 0.00 C ATOM 164 O GLY A 130 7.206 5.044 -1.461 1.00 0.00 O ATOM 0 H GLY A 130 11.250 6.426 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.659 6.982 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.809 5.833 -2.772 1.00 0.00 H new ATOM 168 N LEU A 131 9.066 3.950 -0.849 1.00 0.00 N ATOM 169 CA LEU A 131 8.342 2.789 -0.349 1.00 0.00 C ATOM 170 C LEU A 131 7.496 3.152 0.869 1.00 0.00 C ATOM 171 O LEU A 131 6.335 2.753 0.973 1.00 0.00 O ATOM 172 CB LEU A 131 9.324 1.672 0.008 1.00 0.00 C ATOM 173 CG LEU A 131 10.149 1.135 -1.165 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.144 0.088 -0.685 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.238 0.552 -2.237 1.00 0.00 C ATOM 0 H LEU A 131 10.080 3.886 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 131 7.673 2.441 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.007 2.040 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.766 0.846 0.449 1.00 0.00 H new ATOM 0 HG LEU A 131 10.706 1.965 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.721 -0.282 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.818 0.535 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.606 -0.740 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.842 0.175 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 131 8.654 -0.265 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.565 1.327 -2.604 1.00 0.00 H new ATOM 187 N GLU A 132 8.089 3.905 1.789 1.00 0.00 N ATOM 188 CA GLU A 132 7.405 4.320 3.011 1.00 0.00 C ATOM 189 C GLU A 132 6.113 5.078 2.704 1.00 0.00 C ATOM 190 O GLU A 132 5.052 4.755 3.243 1.00 0.00 O ATOM 191 CB GLU A 132 8.338 5.189 3.858 1.00 0.00 C ATOM 192 CG GLU A 132 7.760 5.590 5.206 1.00 0.00 C ATOM 193 CD GLU A 132 7.478 4.401 6.108 1.00 0.00 C ATOM 194 OE1 GLU A 132 7.790 3.259 5.709 1.00 0.00 O ATOM 195 OE2 GLU A 132 6.949 4.615 7.220 1.00 0.00 O ATOM 0 H GLU A 132 9.048 4.243 1.712 1.00 0.00 H new ATOM 0 HA GLU A 132 7.137 3.423 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.271 4.650 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 132 8.585 6.091 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.455 6.263 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.836 6.146 5.048 1.00 0.00 H new ATOM 202 N LYS A 133 6.204 6.087 1.839 1.00 0.00 N ATOM 203 CA LYS A 133 5.031 6.875 1.477 1.00 0.00 C ATOM 204 C LYS A 133 3.953 5.979 0.876 1.00 0.00 C ATOM 205 O LYS A 133 2.763 6.182 1.116 1.00 0.00 O ATOM 206 CB LYS A 133 5.400 7.999 0.503 1.00 0.00 C ATOM 207 CG LYS A 133 5.931 7.510 -0.833 1.00 0.00 C ATOM 208 CD LYS A 133 6.289 8.668 -1.753 1.00 0.00 C ATOM 209 CE LYS A 133 5.069 9.509 -2.101 1.00 0.00 C ATOM 210 NZ LYS A 133 4.024 8.709 -2.796 1.00 0.00 N ATOM 0 H LYS A 133 7.069 6.375 1.381 1.00 0.00 H new ATOM 0 HA LYS A 133 4.638 7.333 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.520 8.617 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.151 8.637 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.812 6.889 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.182 6.881 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.039 9.296 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.737 8.281 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.652 9.938 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 133 5.371 10.342 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 3.280 9.343 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 4.452 8.197 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 3.609 8.027 -2.130 1.00 0.00 H new ATOM 224 N GLN A 134 4.377 4.976 0.106 1.00 0.00 N ATOM 225 CA GLN A 134 3.439 4.042 -0.508 1.00 0.00 C ATOM 226 C GLN A 134 2.562 3.388 0.556 1.00 0.00 C ATOM 227 O GLN A 134 1.346 3.294 0.396 1.00 0.00 O ATOM 228 CB GLN A 134 4.185 2.970 -1.306 1.00 0.00 C ATOM 229 CG GLN A 134 4.891 3.506 -2.542 1.00 0.00 C ATOM 230 CD GLN A 134 3.934 4.003 -3.615 1.00 0.00 C ATOM 231 OE1 GLN A 134 2.634 3.815 -3.402 1.00 0.00 O flip ATOM 232 NE2 GLN A 134 4.361 4.544 -4.635 1.00 0.00 N flip ATOM 0 H GLN A 134 5.358 4.792 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 134 2.802 4.603 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.920 2.493 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.478 2.198 -1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.552 4.322 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.520 2.721 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.365 4.671 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.711 4.866 -5.352 1.00 0.00 H new ATOM 241 N LEU A 135 3.185 2.950 1.649 1.00 0.00 N ATOM 242 CA LEU A 135 2.451 2.323 2.743 1.00 0.00 C ATOM 243 C LEU A 135 1.399 3.275 3.293 1.00 0.00 C ATOM 244 O LEU A 135 0.276 2.875 3.592 1.00 0.00 O ATOM 245 CB LEU A 135 3.405 1.890 3.861 1.00 0.00 C ATOM 246 CG LEU A 135 4.116 0.550 3.641 1.00 0.00 C ATOM 247 CD1 LEU A 135 3.105 -0.581 3.536 1.00 0.00 C ATOM 248 CD2 LEU A 135 4.991 0.598 2.399 1.00 0.00 C ATOM 0 H LEU A 135 4.192 3.018 1.799 1.00 0.00 H new ATOM 0 HA LEU A 135 1.953 1.436 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.160 2.665 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.843 1.834 4.793 1.00 0.00 H new ATOM 0 HG LEU A 135 4.757 0.362 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.629 -1.524 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.524 -0.637 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.436 -0.394 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.485 -0.364 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.374 0.814 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.743 1.379 2.514 1.00 0.00 H new ATOM 260 N ALA A 136 1.770 4.538 3.418 1.00 0.00 N ATOM 261 CA ALA A 136 0.852 5.550 3.925 1.00 0.00 C ATOM 262 C ALA A 136 -0.380 5.665 3.032 1.00 0.00 C ATOM 263 O ALA A 136 -1.502 5.825 3.516 1.00 0.00 O ATOM 264 CB ALA A 136 1.557 6.893 4.031 1.00 0.00 C ATOM 0 H ALA A 136 2.697 4.889 3.177 1.00 0.00 H new ATOM 0 HA ALA A 136 0.523 5.246 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.861 7.641 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.404 6.807 4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.913 7.196 3.046 1.00 0.00 H new ATOM 270 N ILE A 137 -0.161 5.591 1.722 1.00 0.00 N ATOM 271 CA ILE A 137 -1.244 5.698 0.751 1.00 0.00 C ATOM 272 C ILE A 137 -2.211 4.516 0.834 1.00 0.00 C ATOM 273 O ILE A 137 -3.426 4.708 0.885 1.00 0.00 O ATOM 274 CB ILE A 137 -0.696 5.798 -0.687 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.230 7.012 -0.818 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.841 5.888 -1.687 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.873 7.144 -2.183 1.00 0.00 C ATOM 0 H ILE A 137 0.761 5.457 1.308 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.787 6.610 0.999 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.121 4.898 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.340 7.917 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.013 6.944 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.437 5.958 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.465 4.998 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.441 6.773 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.514 8.026 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.471 6.257 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.097 7.245 -2.942 1.00 0.00 H new ATOM 289 N GLU A 138 -1.677 3.295 0.833 1.00 0.00 N ATOM 290 CA GLU A 138 -2.520 2.103 0.896 1.00 0.00 C ATOM 291 C GLU A 138 -3.357 2.080 2.165 1.00 0.00 C ATOM 292 O GLU A 138 -4.543 1.759 2.127 1.00 0.00 O ATOM 293 CB GLU A 138 -1.681 0.826 0.766 1.00 0.00 C ATOM 294 CG GLU A 138 -0.475 0.741 1.693 1.00 0.00 C ATOM 295 CD GLU A 138 -0.820 0.327 3.113 1.00 0.00 C ATOM 296 OE1 GLU A 138 -1.993 -0.005 3.374 1.00 0.00 O ATOM 297 OE2 GLU A 138 0.095 0.319 3.964 1.00 0.00 O ATOM 0 H GLU A 138 -0.675 3.107 0.790 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.206 2.142 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -2.325 -0.033 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -1.333 0.743 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.239 0.028 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 138 0.021 1.711 1.718 1.00 0.00 H new ATOM 304 N LEU A 139 -2.738 2.422 3.284 1.00 0.00 N ATOM 305 CA LEU A 139 -3.438 2.443 4.567 1.00 0.00 C ATOM 306 C LEU A 139 -4.659 3.357 4.504 1.00 0.00 C ATOM 307 O LEU A 139 -5.739 2.995 4.970 1.00 0.00 O ATOM 308 CB LEU A 139 -2.502 2.909 5.685 1.00 0.00 C ATOM 309 CG LEU A 139 -1.355 1.953 6.013 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.442 2.555 7.069 1.00 0.00 C ATOM 311 CD2 LEU A 139 -1.898 0.611 6.482 1.00 0.00 C ATOM 0 H LEU A 139 -1.755 2.689 3.334 1.00 0.00 H new ATOM 0 HA LEU A 139 -3.770 1.427 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.081 3.875 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.091 3.068 6.588 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.772 1.793 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.368 1.860 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.026 3.492 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.013 2.746 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.068 -0.057 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.504 0.756 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.511 0.172 5.695 1.00 0.00 H new ATOM 323 N LYS A 140 -4.479 4.542 3.929 1.00 0.00 N ATOM 324 CA LYS A 140 -5.567 5.507 3.808 1.00 0.00 C ATOM 325 C LYS A 140 -6.701 4.955 2.946 1.00 0.00 C ATOM 326 O LYS A 140 -7.872 5.048 3.313 1.00 0.00 O ATOM 327 CB LYS A 140 -5.050 6.814 3.206 1.00 0.00 C ATOM 328 CG LYS A 140 -6.114 7.896 3.091 1.00 0.00 C ATOM 329 CD LYS A 140 -5.576 9.144 2.407 1.00 0.00 C ATOM 330 CE LYS A 140 -4.448 9.783 3.202 1.00 0.00 C ATOM 331 NZ LYS A 140 -4.888 10.182 4.567 1.00 0.00 N ATOM 0 H LYS A 140 -3.591 4.857 3.540 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.957 5.699 4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.230 7.187 3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.641 6.611 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.965 7.511 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.479 8.155 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.217 8.886 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -6.384 9.865 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.616 9.083 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.079 10.659 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.172 10.803 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.794 10.689 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.006 9.333 5.156 1.00 0.00 H new ATOM 345 N VAL A 141 -6.344 4.389 1.797 1.00 0.00 N ATOM 346 CA VAL A 141 -7.330 3.829 0.878 1.00 0.00 C ATOM 347 C VAL A 141 -8.053 2.633 1.496 1.00 0.00 C ATOM 348 O VAL A 141 -9.263 2.477 1.334 1.00 0.00 O ATOM 349 CB VAL A 141 -6.675 3.392 -0.446 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.719 2.846 -1.408 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.916 4.552 -1.075 1.00 0.00 C ATOM 0 H VAL A 141 -5.378 4.306 1.480 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.055 4.618 0.676 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.964 2.595 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.235 2.543 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.213 1.984 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.458 3.619 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.460 4.225 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.606 5.372 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.138 4.891 -0.391 1.00 0.00 H new ATOM 361 N LYS A 142 -7.300 1.792 2.195 1.00 0.00 N ATOM 362 CA LYS A 142 -7.858 0.604 2.834 1.00 0.00 C ATOM 363 C LYS A 142 -8.895 0.981 3.889 1.00 0.00 C ATOM 364 O LYS A 142 -10.006 0.454 3.895 1.00 0.00 O ATOM 365 CB LYS A 142 -6.739 -0.226 3.469 1.00 0.00 C ATOM 366 CG LYS A 142 -7.233 -1.439 4.242 1.00 0.00 C ATOM 367 CD LYS A 142 -6.075 -2.260 4.787 1.00 0.00 C ATOM 368 CE LYS A 142 -6.566 -3.451 5.595 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.329 -3.028 6.801 1.00 0.00 N ATOM 0 H LYS A 142 -6.297 1.911 2.335 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.355 0.009 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.058 -0.559 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.164 0.411 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.869 -1.113 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.847 -2.061 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.456 -2.610 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.444 -1.630 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.198 -4.079 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.714 -4.059 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -6.994 -3.562 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.185 -2.011 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.341 -3.215 6.655 1.00 0.00 H new ATOM 383 N GLN A 143 -8.523 1.897 4.776 1.00 0.00 N ATOM 384 CA GLN A 143 -9.422 2.344 5.835 1.00 0.00 C ATOM 385 C GLN A 143 -10.642 3.046 5.248 1.00 0.00 C ATOM 386 O GLN A 143 -11.775 2.798 5.664 1.00 0.00 O ATOM 387 CB GLN A 143 -8.685 3.281 6.793 1.00 0.00 C ATOM 388 CG GLN A 143 -9.547 3.776 7.945 1.00 0.00 C ATOM 389 CD GLN A 143 -8.798 4.695 8.899 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.526 4.955 8.611 1.00 0.00 O flip ATOM 391 NE2 GLN A 143 -9.361 5.167 9.886 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.606 2.344 4.783 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.762 1.468 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.816 2.763 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.313 4.139 6.234 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.411 4.305 7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.928 2.919 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.339 4.943 10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.850 5.783 10.519 1.00 0.00 H new ATOM 400 N GLY A 144 -10.400 3.922 4.278 1.00 0.00 N ATOM 401 CA GLY A 144 -11.481 4.651 3.641 1.00 0.00 C ATOM 402 C GLY A 144 -12.445 3.738 2.908 1.00 0.00 C ATOM 403 O GLY A 144 -13.647 3.999 2.866 1.00 0.00 O ATOM 0 H GLY A 144 -9.470 4.141 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.026 5.219 4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.064 5.373 2.939 1.00 0.00 H new ATOM 407 N ALA A 145 -11.915 2.666 2.327 1.00 0.00 N ATOM 408 CA ALA A 145 -12.732 1.710 1.591 1.00 0.00 C ATOM 409 C ALA A 145 -13.654 0.952 2.531 1.00 0.00 C ATOM 410 O ALA A 145 -14.828 0.738 2.230 1.00 0.00 O ATOM 411 CB ALA A 145 -11.847 0.743 0.819 1.00 0.00 C ATOM 0 H ALA A 145 -10.921 2.438 2.352 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.349 2.261 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.471 0.035 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.229 1.299 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.206 0.201 1.515 1.00 0.00 H new ATOM 417 N GLU A 146 -13.112 0.551 3.674 1.00 0.00 N ATOM 418 CA GLU A 146 -13.884 -0.187 4.671 1.00 0.00 C ATOM 419 C GLU A 146 -15.064 0.639 5.162 1.00 0.00 C ATOM 420 O GLU A 146 -16.176 0.127 5.300 1.00 0.00 O ATOM 421 CB GLU A 146 -12.997 -0.582 5.853 1.00 0.00 C ATOM 422 CG GLU A 146 -11.848 -1.501 5.473 1.00 0.00 C ATOM 423 CD GLU A 146 -10.994 -1.894 6.664 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.294 -1.440 7.788 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.024 -2.657 6.471 1.00 0.00 O ATOM 0 H GLU A 146 -12.141 0.723 3.935 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.265 -1.092 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.593 0.321 6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.610 -1.074 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.247 -2.401 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.223 -1.006 4.730 1.00 0.00 H new ATOM 432 N ASN A 147 -14.818 1.918 5.424 1.00 0.00 N ATOM 433 CA ASN A 147 -15.865 2.813 5.899 1.00 0.00 C ATOM 434 C ASN A 147 -16.987 2.917 4.873 1.00 0.00 C ATOM 435 O ASN A 147 -18.164 2.916 5.227 1.00 0.00 O ATOM 436 CB ASN A 147 -15.290 4.197 6.199 1.00 0.00 C ATOM 437 CG ASN A 147 -16.339 5.154 6.732 1.00 0.00 C ATOM 438 OD1 ASN A 147 -17.258 5.552 6.015 1.00 0.00 O ATOM 439 ND2 ASN A 147 -16.214 5.514 8.003 1.00 0.00 N ATOM 0 H ASN A 147 -13.904 2.357 5.315 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.276 2.401 6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.484 4.103 6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.852 4.611 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -16.896 6.145 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -15.436 5.159 8.559 1.00 0.00 H new ATOM 446 N MET A 148 -16.616 3.002 3.601 1.00 0.00 N ATOM 447 CA MET A 148 -17.600 3.098 2.530 1.00 0.00 C ATOM 448 C MET A 148 -18.437 1.825 2.455 1.00 0.00 C ATOM 449 O MET A 148 -19.657 1.879 2.314 1.00 0.00 O ATOM 450 CB MET A 148 -16.911 3.346 1.189 1.00 0.00 C ATOM 451 CG MET A 148 -16.154 4.662 1.126 1.00 0.00 C ATOM 452 SD MET A 148 -15.349 4.925 -0.467 1.00 0.00 S ATOM 453 CE MET A 148 -16.760 4.882 -1.571 1.00 0.00 C ATOM 0 H MET A 148 -15.646 3.006 3.287 1.00 0.00 H new ATOM 0 HA MET A 148 -18.258 3.939 2.749 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.218 2.528 0.990 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.660 3.329 0.397 1.00 0.00 H new ATOM 0 HG2 MET A 148 -16.844 5.483 1.320 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.403 4.683 1.916 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.669 4.030 -2.245 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.676 4.787 -0.987 1.00 0.00 H new ATOM 0 HE3 MET A 148 -16.794 5.803 -2.153 1.00 0.00 H new ATOM 463 N ILE A 149 -17.770 0.679 2.547 1.00 0.00 N ATOM 464 CA ILE A 149 -18.448 -0.610 2.485 1.00 0.00 C ATOM 465 C ILE A 149 -19.495 -0.745 3.584 1.00 0.00 C ATOM 466 O ILE A 149 -20.640 -1.109 3.321 1.00 0.00 O ATOM 467 CB ILE A 149 -17.445 -1.776 2.602 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.444 -1.732 1.444 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.180 -3.109 2.630 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.364 -2.790 1.533 1.00 0.00 C ATOM 0 H ILE A 149 -16.759 0.617 2.665 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.943 -0.656 1.515 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.894 -1.672 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.983 -1.854 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.975 -0.748 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.458 -3.921 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.855 -3.135 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.755 -3.227 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.692 -2.697 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.799 -2.656 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.822 -3.779 1.528 1.00 0.00 H new ATOM 482 N GLN A 150 -19.095 -0.460 4.818 1.00 0.00 N ATOM 483 CA GLN A 150 -19.998 -0.564 5.958 1.00 0.00 C ATOM 484 C GLN A 150 -21.134 0.453 5.867 1.00 0.00 C ATOM 485 O GLN A 150 -22.279 0.145 6.198 1.00 0.00 O ATOM 486 CB GLN A 150 -19.225 -0.377 7.266 1.00 0.00 C ATOM 487 CG GLN A 150 -18.545 0.977 7.387 1.00 0.00 C ATOM 488 CD GLN A 150 -17.719 1.132 8.656 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.130 2.187 8.893 1.00 0.00 O ATOM 490 NE2 GLN A 150 -17.662 0.087 9.478 1.00 0.00 N ATOM 0 H GLN A 150 -18.151 -0.155 5.055 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.439 -1.561 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -19.910 -0.505 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.472 -1.160 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.899 1.129 6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -19.304 1.759 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -18.164 -0.771 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -17.117 0.144 10.338 1.00 0.00 H new ATOM 499 N THR A 151 -20.811 1.666 5.426 1.00 0.00 N ATOM 500 CA THR A 151 -21.808 2.727 5.304 1.00 0.00 C ATOM 501 C THR A 151 -22.965 2.316 4.394 1.00 0.00 C ATOM 502 O THR A 151 -24.132 2.469 4.756 1.00 0.00 O ATOM 503 CB THR A 151 -21.181 4.026 4.760 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.173 4.497 5.661 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.239 5.105 4.572 1.00 0.00 C ATOM 0 H THR A 151 -19.868 1.939 5.148 1.00 0.00 H new ATOM 0 HA THR A 151 -22.194 2.904 6.308 1.00 0.00 H new ATOM 0 HB THR A 151 -20.733 3.806 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.483 3.809 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.770 6.011 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 151 -22.992 4.757 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.713 5.320 5.530 1.00 0.00 H new ATOM 513 N TYR A 152 -22.639 1.800 3.213 1.00 0.00 N ATOM 514 CA TYR A 152 -23.658 1.377 2.257 1.00 0.00 C ATOM 515 C TYR A 152 -24.350 0.096 2.713 1.00 0.00 C ATOM 516 O TYR A 152 -25.571 -0.029 2.613 1.00 0.00 O ATOM 517 CB TYR A 152 -23.050 1.168 0.867 1.00 0.00 C ATOM 518 CG TYR A 152 -22.599 2.443 0.183 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.660 3.285 0.768 1.00 0.00 C ATOM 520 CD2 TYR A 152 -23.109 2.798 -1.059 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.244 4.441 0.137 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.696 3.953 -1.696 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.765 4.770 -1.094 1.00 0.00 C ATOM 524 OH TYR A 152 -21.352 5.921 -1.726 1.00 0.00 O ATOM 0 H TYR A 152 -21.679 1.665 2.895 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.401 2.172 2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.197 0.496 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.784 0.670 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.248 3.030 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.840 2.161 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.514 5.083 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -23.102 4.214 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.399 5.796 -2.697 1.00 0.00 H new ATOM 649 N LYS A 161 -24.617 -0.067 -6.395 1.00 0.00 N ATOM 650 CA LYS A 161 -23.568 -0.004 -7.410 1.00 0.00 C ATOM 651 C LYS A 161 -22.311 0.662 -6.858 1.00 0.00 C ATOM 652 O LYS A 161 -21.199 0.167 -7.052 1.00 0.00 O ATOM 653 CB LYS A 161 -24.067 0.749 -8.648 1.00 0.00 C ATOM 654 CG LYS A 161 -24.538 2.166 -8.356 1.00 0.00 C ATOM 655 CD LYS A 161 -25.038 2.861 -9.613 1.00 0.00 C ATOM 656 CE LYS A 161 -26.267 2.170 -10.187 1.00 0.00 C ATOM 657 NZ LYS A 161 -27.398 2.156 -9.218 1.00 0.00 N ATOM 0 HA LYS A 161 -23.314 -1.025 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -23.266 0.787 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.887 0.189 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -25.335 2.139 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.719 2.740 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.278 3.899 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.245 2.875 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -26.577 2.679 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -26.013 1.147 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -28.273 1.882 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -27.198 1.472 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -27.514 3.104 -8.807 1.00 0.00 H new ATOM 671 N LEU A 162 -22.494 1.775 -6.156 1.00 0.00 N ATOM 672 CA LEU A 162 -21.372 2.491 -5.565 1.00 0.00 C ATOM 673 C LEU A 162 -20.674 1.616 -4.529 1.00 0.00 C ATOM 674 O LEU A 162 -19.447 1.619 -4.424 1.00 0.00 O ATOM 675 CB LEU A 162 -21.849 3.796 -4.923 1.00 0.00 C ATOM 676 CG LEU A 162 -22.464 4.813 -5.890 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.976 6.026 -5.131 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.446 5.233 -6.941 1.00 0.00 C ATOM 0 H LEU A 162 -23.406 2.199 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.661 2.733 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.586 3.557 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.004 4.264 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.307 4.341 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.410 6.738 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.736 5.713 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -22.150 6.498 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.900 5.955 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.584 5.687 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.124 4.358 -7.506 1.00 0.00 H new ATOM 690 N LEU A 163 -21.468 0.856 -3.775 1.00 0.00 N ATOM 691 CA LEU A 163 -20.932 -0.039 -2.755 1.00 0.00 C ATOM 692 C LEU A 163 -19.962 -1.037 -3.380 1.00 0.00 C ATOM 693 O LEU A 163 -18.889 -1.300 -2.836 1.00 0.00 O ATOM 694 CB LEU A 163 -22.072 -0.784 -2.050 1.00 0.00 C ATOM 695 CG LEU A 163 -21.635 -1.876 -1.069 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.796 -1.287 0.055 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.851 -2.597 -0.507 1.00 0.00 C ATOM 0 H LEU A 163 -22.485 0.844 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.393 0.558 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.680 -0.057 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.712 -1.235 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.021 -2.597 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.497 -2.080 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.907 -0.814 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.382 -0.543 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.526 -3.371 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.488 -1.883 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.412 -3.055 -1.322 1.00 0.00 H new ATOM 709 N LEU A 164 -20.348 -1.582 -4.530 1.00 0.00 N ATOM 710 CA LEU A 164 -19.515 -2.543 -5.241 1.00 0.00 C ATOM 711 C LEU A 164 -18.170 -1.922 -5.600 1.00 0.00 C ATOM 712 O LEU A 164 -17.123 -2.553 -5.460 1.00 0.00 O ATOM 713 CB LEU A 164 -20.223 -3.021 -6.512 1.00 0.00 C ATOM 714 CG LEU A 164 -21.571 -3.708 -6.286 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.217 -4.066 -7.616 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.401 -4.951 -5.426 1.00 0.00 C ATOM 0 H LEU A 164 -21.235 -1.373 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.343 -3.398 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.375 -2.164 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.564 -3.712 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.226 -3.013 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.175 -4.554 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.376 -3.159 -8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.564 -4.742 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.371 -5.425 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.728 -5.649 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.982 -4.670 -4.460 1.00 0.00 H new ATOM 728 N THR A 165 -18.212 -0.674 -6.058 1.00 0.00 N ATOM 729 CA THR A 165 -17.000 0.044 -6.435 1.00 0.00 C ATOM 730 C THR A 165 -16.039 0.150 -5.254 1.00 0.00 C ATOM 731 O THR A 165 -14.832 -0.043 -5.406 1.00 0.00 O ATOM 732 CB THR A 165 -17.328 1.460 -6.947 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.208 1.381 -8.074 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.061 2.204 -7.341 1.00 0.00 C ATOM 0 H THR A 165 -19.073 -0.140 -6.177 1.00 0.00 H new ATOM 0 HA THR A 165 -16.526 -0.523 -7.236 1.00 0.00 H new ATOM 0 HB THR A 165 -17.815 2.008 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 165 -18.413 2.285 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.321 3.200 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.405 2.289 -6.475 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.549 1.656 -8.132 1.00 0.00 H new ATOM 742 N ALA A 166 -16.583 0.457 -4.080 1.00 0.00 N ATOM 743 CA ALA A 166 -15.775 0.591 -2.872 1.00 0.00 C ATOM 744 C ALA A 166 -15.083 -0.723 -2.523 1.00 0.00 C ATOM 745 O ALA A 166 -13.898 -0.739 -2.188 1.00 0.00 O ATOM 746 CB ALA A 166 -16.637 1.065 -1.710 1.00 0.00 C ATOM 0 H ALA A 166 -17.580 0.618 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.002 1.336 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.021 1.161 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.076 2.033 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.432 0.342 -1.528 1.00 0.00 H new ATOM 752 N GLN A 167 -15.825 -1.823 -2.609 1.00 0.00 N ATOM 753 CA GLN A 167 -15.276 -3.141 -2.309 1.00 0.00 C ATOM 754 C GLN A 167 -14.077 -3.432 -3.201 1.00 0.00 C ATOM 755 O GLN A 167 -13.052 -3.933 -2.737 1.00 0.00 O ATOM 756 CB GLN A 167 -16.341 -4.221 -2.491 1.00 0.00 C ATOM 757 CG GLN A 167 -17.507 -4.089 -1.526 1.00 0.00 C ATOM 758 CD GLN A 167 -18.538 -5.185 -1.707 1.00 0.00 C ATOM 759 OE1 GLN A 167 -19.767 -4.794 -2.013 1.00 0.00 O flip ATOM 760 NE2 GLN A 167 -18.232 -6.370 -1.570 1.00 0.00 N flip ATOM 0 H GLN A 167 -16.807 -1.828 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.949 -3.147 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.718 -4.180 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.880 -5.200 -2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.132 -4.113 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.984 -3.119 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -17.273 -6.625 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -18.938 -7.096 -1.693 1.00 0.00 H new ATOM 769 N GLN A 168 -14.209 -3.100 -4.482 1.00 0.00 N ATOM 770 CA GLN A 168 -13.131 -3.310 -5.439 1.00 0.00 C ATOM 771 C GLN A 168 -11.900 -2.517 -5.021 1.00 0.00 C ATOM 772 O GLN A 168 -10.769 -2.984 -5.157 1.00 0.00 O ATOM 773 CB GLN A 168 -13.574 -2.894 -6.845 1.00 0.00 C ATOM 774 CG GLN A 168 -12.517 -3.128 -7.915 1.00 0.00 C ATOM 775 CD GLN A 168 -12.157 -4.593 -8.078 1.00 0.00 C ATOM 776 OE1 GLN A 168 -11.648 -5.227 -7.154 1.00 0.00 O ATOM 777 NE2 GLN A 168 -12.421 -5.140 -9.259 1.00 0.00 N ATOM 0 H GLN A 168 -15.052 -2.685 -4.880 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.881 -4.371 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.475 -3.447 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.840 -1.837 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.879 -2.740 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.619 -2.564 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.844 -4.578 -9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.201 -6.122 -9.427 1.00 0.00 H new ATOM 786 N MET A 169 -12.132 -1.313 -4.501 1.00 0.00 N ATOM 787 CA MET A 169 -11.047 -0.452 -4.050 1.00 0.00 C ATOM 788 C MET A 169 -10.273 -1.106 -2.912 1.00 0.00 C ATOM 789 O MET A 169 -9.043 -1.128 -2.917 1.00 0.00 O ATOM 790 CB MET A 169 -11.600 0.893 -3.579 1.00 0.00 C ATOM 791 CG MET A 169 -12.205 1.736 -4.687 1.00 0.00 C ATOM 792 SD MET A 169 -12.899 3.281 -4.070 1.00 0.00 S ATOM 793 CE MET A 169 -11.512 3.916 -3.132 1.00 0.00 C ATOM 0 H MET A 169 -13.063 -0.914 -4.383 1.00 0.00 H new ATOM 0 HA MET A 169 -10.372 -0.294 -4.891 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.359 0.715 -2.817 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.798 1.458 -3.104 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.440 1.956 -5.432 1.00 0.00 H new ATOM 0 HG3 MET A 169 -12.985 1.165 -5.190 1.00 0.00 H new ATOM 0 HE1 MET A 169 -11.650 4.983 -2.956 1.00 0.00 H new ATOM 0 HE2 MET A 169 -11.450 3.396 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 169 -10.591 3.757 -3.692 1.00 0.00 H new ATOM 803 N LEU A 170 -11.006 -1.627 -1.934 1.00 0.00 N ATOM 804 CA LEU A 170 -10.395 -2.275 -0.776 1.00 0.00 C ATOM 805 C LEU A 170 -9.498 -3.434 -1.207 1.00 0.00 C ATOM 806 O LEU A 170 -8.357 -3.546 -0.756 1.00 0.00 O ATOM 807 CB LEU A 170 -11.489 -2.771 0.183 1.00 0.00 C ATOM 808 CG LEU A 170 -11.009 -3.315 1.540 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.354 -4.680 1.388 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.050 -2.335 2.202 1.00 0.00 C ATOM 0 H LEU A 170 -12.026 -1.614 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.773 -1.544 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.180 -1.949 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.055 -3.555 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 170 -11.884 -3.432 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.026 -5.037 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.072 -5.383 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.494 -4.599 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.722 -2.738 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.184 -2.181 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -10.556 -1.383 2.363 1.00 0.00 H new ATOM 822 N GLN A 171 -10.020 -4.296 -2.074 1.00 0.00 N ATOM 823 CA GLN A 171 -9.266 -5.448 -2.555 1.00 0.00 C ATOM 824 C GLN A 171 -8.023 -5.007 -3.321 1.00 0.00 C ATOM 825 O GLN A 171 -6.943 -5.570 -3.146 1.00 0.00 O ATOM 826 CB GLN A 171 -10.156 -6.332 -3.438 1.00 0.00 C ATOM 827 CG GLN A 171 -9.470 -7.597 -3.941 1.00 0.00 C ATOM 828 CD GLN A 171 -8.604 -7.373 -5.172 1.00 0.00 C ATOM 829 OE1 GLN A 171 -8.694 -6.188 -5.769 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -7.871 -8.268 -5.594 1.00 0.00 N flip ATOM 0 H GLN A 171 -10.962 -4.218 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 171 -8.940 -6.028 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.045 -6.613 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.494 -5.749 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.852 -8.007 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -10.229 -8.344 -4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -7.829 -9.164 -5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -7.306 -8.113 -6.429 1.00 0.00 H new ATOM 839 N ASP A 172 -8.185 -4.002 -4.175 1.00 0.00 N ATOM 840 CA ASP A 172 -7.078 -3.490 -4.975 1.00 0.00 C ATOM 841 C ASP A 172 -5.965 -2.943 -4.086 1.00 0.00 C ATOM 842 O ASP A 172 -4.784 -3.191 -4.331 1.00 0.00 O ATOM 843 CB ASP A 172 -7.575 -2.398 -5.926 1.00 0.00 C ATOM 844 CG ASP A 172 -6.488 -1.897 -6.857 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.476 -1.363 -6.358 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.649 -2.039 -8.087 1.00 0.00 O ATOM 0 H ASP A 172 -9.073 -3.525 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.672 -4.316 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.404 -2.786 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.963 -1.562 -5.343 1.00 0.00 H new ATOM 851 N SER A 173 -6.350 -2.196 -3.056 1.00 0.00 N ATOM 852 CA SER A 173 -5.386 -1.610 -2.131 1.00 0.00 C ATOM 853 C SER A 173 -4.553 -2.694 -1.453 1.00 0.00 C ATOM 854 O SER A 173 -3.331 -2.584 -1.364 1.00 0.00 O ATOM 855 CB SER A 173 -6.105 -0.771 -1.074 1.00 0.00 C ATOM 856 OG SER A 173 -5.181 -0.161 -0.190 1.00 0.00 O ATOM 0 H SER A 173 -7.324 -1.982 -2.841 1.00 0.00 H new ATOM 0 HA SER A 173 -4.718 -0.967 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 173 -6.707 -0.004 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.791 -1.402 -0.509 1.00 0.00 H new ATOM 0 HG SER A 173 -5.657 0.452 0.408 1.00 0.00 H new ATOM 862 N LYS A 174 -5.226 -3.738 -0.979 1.00 0.00 N ATOM 863 CA LYS A 174 -4.550 -4.843 -0.310 1.00 0.00 C ATOM 864 C LYS A 174 -3.505 -5.474 -1.223 1.00 0.00 C ATOM 865 O LYS A 174 -2.411 -5.824 -0.780 1.00 0.00 O ATOM 866 CB LYS A 174 -5.569 -5.896 0.133 1.00 0.00 C ATOM 867 CG LYS A 174 -6.584 -5.374 1.140 1.00 0.00 C ATOM 868 CD LYS A 174 -5.917 -4.932 2.435 1.00 0.00 C ATOM 869 CE LYS A 174 -5.259 -6.099 3.155 1.00 0.00 C ATOM 870 NZ LYS A 174 -6.246 -7.151 3.527 1.00 0.00 N ATOM 0 H LYS A 174 -6.239 -3.841 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.042 -4.449 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.098 -6.269 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.038 -6.742 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.128 -4.535 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.316 -6.152 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -5.169 -4.170 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -6.659 -4.473 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -4.490 -6.533 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -4.759 -5.736 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -5.810 -7.814 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -7.076 -6.707 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -6.542 -7.667 2.674 1.00 0.00 H new ATOM 884 N THR A 175 -3.848 -5.612 -2.500 1.00 0.00 N ATOM 885 CA THR A 175 -2.938 -6.196 -3.478 1.00 0.00 C ATOM 886 C THR A 175 -1.638 -5.403 -3.553 1.00 0.00 C ATOM 887 O THR A 175 -0.548 -5.978 -3.548 1.00 0.00 O ATOM 888 CB THR A 175 -3.578 -6.251 -4.879 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.793 -7.008 -4.831 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.627 -6.879 -5.887 1.00 0.00 C ATOM 0 H THR A 175 -4.750 -5.327 -2.881 1.00 0.00 H new ATOM 0 HA THR A 175 -2.724 -7.212 -3.148 1.00 0.00 H new ATOM 0 HB THR A 175 -3.794 -5.230 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.466 -6.515 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.102 -6.906 -6.868 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.713 -6.287 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.383 -7.894 -5.574 1.00 0.00 H new ATOM 898 N LYS A 176 -1.758 -4.079 -3.613 1.00 0.00 N ATOM 899 CA LYS A 176 -0.589 -3.209 -3.680 1.00 0.00 C ATOM 900 C LYS A 176 0.280 -3.384 -2.440 1.00 0.00 C ATOM 901 O LYS A 176 1.502 -3.466 -2.533 1.00 0.00 O ATOM 902 CB LYS A 176 -1.015 -1.745 -3.814 1.00 0.00 C ATOM 903 CG LYS A 176 -1.781 -1.443 -5.091 1.00 0.00 C ATOM 904 CD LYS A 176 -2.153 0.029 -5.180 1.00 0.00 C ATOM 905 CE LYS A 176 -2.896 0.341 -6.470 1.00 0.00 C ATOM 906 NZ LYS A 176 -2.074 0.034 -7.674 1.00 0.00 N ATOM 0 H LYS A 176 -2.651 -3.587 -3.617 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.009 -3.488 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.634 -1.477 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.128 -1.113 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.176 -1.720 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.685 -2.051 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -2.775 0.300 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -1.250 0.637 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -3.820 -0.236 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -3.177 1.394 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -2.498 0.487 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -1.109 0.396 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -2.040 -0.995 -7.818 1.00 0.00 H new ATOM 920 N ILE A 177 -0.367 -3.438 -1.279 1.00 0.00 N ATOM 921 CA ILE A 177 0.333 -3.601 -0.010 1.00 0.00 C ATOM 922 C ILE A 177 1.216 -4.847 -0.018 1.00 0.00 C ATOM 923 O ILE A 177 2.338 -4.827 0.489 1.00 0.00 O ATOM 924 CB ILE A 177 -0.666 -3.696 1.159 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.582 -2.470 1.159 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.073 -3.818 2.484 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.670 -2.508 2.211 1.00 0.00 C ATOM 0 H ILE A 177 -1.381 -3.371 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 177 0.964 -2.722 0.124 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.277 -4.589 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.975 -1.577 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.045 -2.376 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.649 -3.884 3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.692 -4.715 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.706 -2.942 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.274 -1.603 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.303 -3.380 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.217 -2.568 3.201 1.00 0.00 H new ATOM 939 N ASP A 178 0.702 -5.931 -0.591 1.00 0.00 N ATOM 940 CA ASP A 178 1.441 -7.186 -0.660 1.00 0.00 C ATOM 941 C ASP A 178 2.689 -7.042 -1.532 1.00 0.00 C ATOM 942 O ASP A 178 3.785 -7.442 -1.135 1.00 0.00 O ATOM 943 CB ASP A 178 0.543 -8.297 -1.210 1.00 0.00 C ATOM 944 CG ASP A 178 1.222 -9.654 -1.209 1.00 0.00 C ATOM 945 OD1 ASP A 178 2.377 -9.745 -0.743 1.00 0.00 O ATOM 946 OD2 ASP A 178 0.594 -10.630 -1.674 1.00 0.00 O ATOM 0 H ASP A 178 -0.225 -5.965 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 178 1.758 -7.448 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.368 -8.351 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.244 -8.046 -2.228 1.00 0.00 H new ATOM 951 N ILE A 179 2.514 -6.471 -2.720 1.00 0.00 N ATOM 952 CA ILE A 179 3.624 -6.278 -3.648 1.00 0.00 C ATOM 953 C ILE A 179 4.690 -5.366 -3.046 1.00 0.00 C ATOM 954 O ILE A 179 5.883 -5.671 -3.093 1.00 0.00 O ATOM 955 CB ILE A 179 3.141 -5.676 -4.984 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.009 -6.522 -5.577 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.297 -5.563 -5.967 1.00 0.00 C ATOM 958 CD1 ILE A 179 2.401 -7.957 -5.868 1.00 0.00 C ATOM 0 H ILE A 179 1.614 -6.134 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 179 4.055 -7.261 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 179 2.756 -4.675 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 179 1.166 -6.519 -4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.665 -6.055 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 179 3.938 -5.137 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.070 -4.919 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.713 -6.553 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.547 -8.490 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 179 3.223 -7.972 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.716 -8.443 -4.944 1.00 0.00 H new ATOM 970 N ILE A 180 4.249 -4.248 -2.480 1.00 0.00 N ATOM 971 CA ILE A 180 5.157 -3.287 -1.865 1.00 0.00 C ATOM 972 C ILE A 180 5.910 -3.916 -0.699 1.00 0.00 C ATOM 973 O ILE A 180 7.105 -3.680 -0.521 1.00 0.00 O ATOM 974 CB ILE A 180 4.402 -2.038 -1.369 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.684 -1.357 -2.536 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.362 -1.072 -0.688 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.837 -0.172 -2.123 1.00 0.00 C ATOM 0 H ILE A 180 3.265 -3.984 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 180 5.870 -2.985 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 180 3.655 -2.347 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.425 -1.026 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.050 -2.088 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.813 -0.196 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.830 -1.565 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.131 -0.763 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.360 0.258 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.072 -0.499 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.469 0.579 -1.649 1.00 0.00 H new ATOM 989 N ARG A 181 5.203 -4.720 0.093 1.00 0.00 N ATOM 990 CA ARG A 181 5.810 -5.384 1.240 1.00 0.00 C ATOM 991 C ARG A 181 7.027 -6.190 0.802 1.00 0.00 C ATOM 992 O ARG A 181 8.082 -6.136 1.435 1.00 0.00 O ATOM 993 CB ARG A 181 4.794 -6.295 1.931 1.00 0.00 C ATOM 994 CG ARG A 181 5.344 -6.994 3.163 1.00 0.00 C ATOM 995 CD ARG A 181 4.282 -7.841 3.846 1.00 0.00 C ATOM 996 NE ARG A 181 4.795 -8.508 5.041 1.00 0.00 N ATOM 997 CZ ARG A 181 5.235 -7.863 6.119 1.00 0.00 C ATOM 998 NH1 ARG A 181 5.212 -6.537 6.164 1.00 0.00 N ATOM 999 NH2 ARG A 181 5.696 -8.546 7.157 1.00 0.00 N ATOM 0 H ARG A 181 4.213 -4.926 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 181 6.132 -4.622 1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.924 -5.704 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.450 -7.046 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 181 6.186 -7.625 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.725 -6.251 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 181 3.436 -7.210 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.910 -8.589 3.146 1.00 0.00 H new ATOM 0 HE ARG A 181 4.817 -9.528 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 181 4.856 -6.006 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 181 5.551 -6.049 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 181 5.714 -9.565 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 181 6.033 -8.052 7.983 1.00 0.00 H new ATOM 1013 N MET A 182 6.877 -6.924 -0.297 1.00 0.00 N ATOM 1014 CA MET A 182 7.969 -7.727 -0.831 1.00 0.00 C ATOM 1015 C MET A 182 9.143 -6.831 -1.211 1.00 0.00 C ATOM 1016 O MET A 182 10.301 -7.176 -0.979 1.00 0.00 O ATOM 1017 CB MET A 182 7.499 -8.526 -2.050 1.00 0.00 C ATOM 1018 CG MET A 182 8.600 -9.349 -2.702 1.00 0.00 C ATOM 1019 SD MET A 182 9.370 -10.511 -1.559 1.00 0.00 S ATOM 1020 CE MET A 182 7.967 -11.528 -1.106 1.00 0.00 C ATOM 0 H MET A 182 6.011 -6.978 -0.833 1.00 0.00 H new ATOM 0 HA MET A 182 8.294 -8.427 -0.061 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.690 -9.192 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.086 -7.838 -2.788 1.00 0.00 H new ATOM 0 HG2 MET A 182 8.185 -9.898 -3.547 1.00 0.00 H new ATOM 0 HG3 MET A 182 9.362 -8.679 -3.100 1.00 0.00 H new ATOM 0 HE1 MET A 182 8.320 -12.456 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 182 7.345 -10.992 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 182 7.381 -11.756 -1.996 1.00 0.00 H new ATOM 1030 N GLN A 183 8.829 -5.675 -1.790 1.00 0.00 N ATOM 1031 CA GLN A 183 9.853 -4.720 -2.197 1.00 0.00 C ATOM 1032 C GLN A 183 10.682 -4.274 -0.997 1.00 0.00 C ATOM 1033 O GLN A 183 11.904 -4.146 -1.089 1.00 0.00 O ATOM 1034 CB GLN A 183 9.211 -3.505 -2.871 1.00 0.00 C ATOM 1035 CG GLN A 183 8.414 -3.853 -4.118 1.00 0.00 C ATOM 1036 CD GLN A 183 7.817 -2.632 -4.790 1.00 0.00 C ATOM 1037 OE1 GLN A 183 6.496 -2.615 -4.923 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 8.536 -1.715 -5.187 1.00 0.00 N flip ATOM 0 H GLN A 183 7.873 -5.378 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 183 10.513 -5.212 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.554 -3.008 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.992 -2.792 -3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.061 -4.372 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.614 -4.544 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 183 9.547 -1.770 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 183 8.121 -0.900 -5.639 1.00 0.00 H new ATOM 1047 N LEU A 184 10.011 -4.043 0.130 1.00 0.00 N ATOM 1048 CA LEU A 184 10.691 -3.619 1.349 1.00 0.00 C ATOM 1049 C LEU A 184 11.716 -4.660 1.759 1.00 0.00 C ATOM 1050 O LEU A 184 12.847 -4.334 2.123 1.00 0.00 O ATOM 1051 CB LEU A 184 9.686 -3.411 2.486 1.00 0.00 C ATOM 1052 CG LEU A 184 8.422 -2.635 2.112 1.00 0.00 C ATOM 1053 CD1 LEU A 184 7.700 -2.158 3.361 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.759 -1.467 1.204 1.00 0.00 C ATOM 0 H LEU A 184 9.000 -4.142 0.223 1.00 0.00 H new ATOM 0 HA LEU A 184 11.194 -2.673 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 184 9.392 -4.387 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.187 -2.886 3.299 1.00 0.00 H new ATOM 0 HG LEU A 184 7.756 -3.305 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 184 6.803 -1.608 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 184 7.420 -3.018 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 184 8.358 -1.506 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.846 -0.928 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.446 -0.794 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 184 9.227 -1.838 0.292 1.00 0.00 H new ATOM 1066 N ARG A 185 11.305 -5.917 1.687 1.00 0.00 N ATOM 1067 CA ARG A 185 12.174 -7.033 2.037 1.00 0.00 C ATOM 1068 C ARG A 185 13.448 -6.991 1.201 1.00 0.00 C ATOM 1069 O ARG A 185 14.547 -7.221 1.708 1.00 0.00 O ATOM 1070 CB ARG A 185 11.449 -8.363 1.818 1.00 0.00 C ATOM 1071 CG ARG A 185 10.167 -8.501 2.623 1.00 0.00 C ATOM 1072 CD ARG A 185 10.429 -8.590 4.123 1.00 0.00 C ATOM 1073 NE ARG A 185 11.049 -9.858 4.511 1.00 0.00 N ATOM 1074 CZ ARG A 185 12.356 -10.107 4.438 1.00 0.00 C ATOM 1075 NH1 ARG A 185 13.203 -9.155 4.073 1.00 0.00 N ATOM 1076 NH2 ARG A 185 12.819 -11.307 4.762 1.00 0.00 N ATOM 0 H ARG A 185 10.369 -6.192 1.388 1.00 0.00 H new ATOM 0 HA ARG A 185 12.439 -6.948 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.215 -8.469 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 185 12.121 -9.180 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.520 -7.648 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.631 -9.392 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 185 11.076 -7.766 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 185 9.488 -8.470 4.660 1.00 0.00 H new ATOM 0 HE ARG A 185 10.441 -10.599 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 185 12.856 -8.223 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 185 14.202 -9.354 4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 185 12.175 -12.037 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 185 13.819 -11.500 4.707 1.00 0.00 H new ATOM 1090 N ARG A 186 13.288 -6.688 -0.083 1.00 0.00 N ATOM 1091 CA ARG A 186 14.416 -6.603 -1.001 1.00 0.00 C ATOM 1092 C ARG A 186 15.383 -5.504 -0.568 1.00 0.00 C ATOM 1093 O ARG A 186 16.600 -5.664 -0.654 1.00 0.00 O ATOM 1094 CB ARG A 186 13.923 -6.328 -2.424 1.00 0.00 C ATOM 1095 CG ARG A 186 12.979 -7.392 -2.965 1.00 0.00 C ATOM 1096 CD ARG A 186 13.659 -8.749 -3.064 1.00 0.00 C ATOM 1097 NE ARG A 186 12.775 -9.768 -3.626 1.00 0.00 N ATOM 1098 CZ ARG A 186 12.288 -9.727 -4.864 1.00 0.00 C ATOM 1099 NH1 ARG A 186 12.613 -8.731 -5.679 1.00 0.00 N ATOM 1100 NH2 ARG A 186 11.478 -10.685 -5.291 1.00 0.00 N ATOM 0 H ARG A 186 12.383 -6.496 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 186 14.941 -7.558 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.416 -5.363 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 186 14.784 -6.249 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 186 12.107 -7.469 -2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 186 12.619 -7.093 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 186 14.551 -8.662 -3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.988 -9.062 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 186 12.516 -10.557 -3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 186 13.239 -7.992 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 186 12.237 -8.704 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 186 11.227 -11.455 -4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 186 11.105 -10.652 -6.240 1.00 0.00 H new ATOM 1114 N ALA A 187 14.827 -4.388 -0.103 1.00 0.00 N ATOM 1115 CA ALA A 187 15.632 -3.257 0.344 1.00 0.00 C ATOM 1116 C ALA A 187 16.535 -3.654 1.505 1.00 0.00 C ATOM 1117 O ALA A 187 17.718 -3.313 1.531 1.00 0.00 O ATOM 1118 CB ALA A 187 14.732 -2.100 0.749 1.00 0.00 C ATOM 0 H ALA A 187 13.820 -4.244 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 187 16.265 -2.941 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.344 -1.262 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.128 -1.793 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 187 14.078 -2.415 1.562 1.00 0.00 H new