USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -168:sc= 0.627 (180deg=0.37) USER MOD Single : A 143 GLN : amide:sc= -2.25! C(o=-2.3!,f=-2.1!) USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 MET CE :methyl -114:sc= -1.34 (180deg=-1.79) USER MOD Single : A 150 GLN : amide:sc= -2.82 K(o=-2.8,f=-0.85) USER MOD Single : A 151 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 167 GLN : amide:sc= -0.811 K(o=-0.81,f=-4.5!) USER MOD Single : A 168 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.099) USER MOD Single : A 169 MET CE :methyl -134:sc= -1.81 (180deg=-1.93!) USER MOD Single : A 171 GLN : amide:sc= -0.755 K(o=-0.76,f=-2.6!) USER MOD Single : A 173 SER OG : rot 74:sc= 0.298 USER MOD Single : A 174 LYS NZ :NH3+ -167:sc= -0.0211 (180deg=-0.242) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 169:sc= -0.0259 (180deg=-0.187) USER MOD Single : A 182 MET CE :methyl 155:sc= -0.396 (180deg=-1.5!) USER MOD Single : A 183 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.491 5.803 -2.515 1.00 0.00 N ATOM 112 CA ARG A 127 13.954 4.447 -2.491 1.00 0.00 C ATOM 113 C ARG A 127 13.289 4.137 -1.152 1.00 0.00 C ATOM 114 O ARG A 127 12.165 3.635 -1.109 1.00 0.00 O ATOM 115 CB ARG A 127 15.068 3.432 -2.769 1.00 0.00 C ATOM 116 CG ARG A 127 14.603 1.983 -2.732 1.00 0.00 C ATOM 117 CD ARG A 127 13.526 1.712 -3.772 1.00 0.00 C ATOM 118 NE ARG A 127 13.998 1.963 -5.133 1.00 0.00 N ATOM 119 CZ ARG A 127 14.970 1.270 -5.720 1.00 0.00 C ATOM 120 NH1 ARG A 127 15.567 0.274 -5.077 1.00 0.00 N ATOM 121 NH2 ARG A 127 15.345 1.570 -6.956 1.00 0.00 N ATOM 0 HA ARG A 127 13.196 4.373 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.500 3.640 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.862 3.568 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.453 1.323 -2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.218 1.749 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 127 13.195 0.677 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.659 2.341 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 127 13.556 2.714 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.281 0.036 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.312 -0.254 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.888 2.332 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.090 1.039 -7.406 1.00 0.00 H new ATOM 135 N VAL A 128 13.990 4.434 -0.061 1.00 0.00 N ATOM 136 CA VAL A 128 13.466 4.181 1.278 1.00 0.00 C ATOM 137 C VAL A 128 12.194 4.981 1.537 1.00 0.00 C ATOM 138 O VAL A 128 11.159 4.421 1.895 1.00 0.00 O ATOM 139 CB VAL A 128 14.505 4.530 2.360 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.938 4.282 3.749 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.785 3.734 2.149 1.00 0.00 C ATOM 0 H VAL A 128 14.921 4.850 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 128 13.237 3.117 1.330 1.00 0.00 H new ATOM 0 HB VAL A 128 14.745 5.590 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.688 4.535 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 128 13.054 4.902 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.665 3.231 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.507 3.994 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.564 2.668 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.202 3.969 1.170 1.00 0.00 H new ATOM 151 N ALA A 129 12.283 6.293 1.354 1.00 0.00 N ATOM 152 CA ALA A 129 11.145 7.177 1.566 1.00 0.00 C ATOM 153 C ALA A 129 10.003 6.838 0.617 1.00 0.00 C ATOM 154 O ALA A 129 8.833 6.896 0.994 1.00 0.00 O ATOM 155 CB ALA A 129 11.568 8.628 1.395 1.00 0.00 C ATOM 0 H ALA A 129 13.135 6.769 1.058 1.00 0.00 H new ATOM 0 HA ALA A 129 10.787 7.033 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.709 9.279 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.346 8.868 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.953 8.778 0.386 1.00 0.00 H new ATOM 161 N GLY A 130 10.351 6.486 -0.616 1.00 0.00 N ATOM 162 CA GLY A 130 9.346 6.143 -1.604 1.00 0.00 C ATOM 163 C GLY A 130 8.498 4.958 -1.183 1.00 0.00 C ATOM 164 O GLY A 130 7.277 4.983 -1.312 1.00 0.00 O ATOM 0 H GLY A 130 11.314 6.432 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.701 7.005 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.835 5.917 -2.552 1.00 0.00 H new ATOM 168 N LEU A 131 9.147 3.916 -0.680 1.00 0.00 N ATOM 169 CA LEU A 131 8.442 2.716 -0.241 1.00 0.00 C ATOM 170 C LEU A 131 7.591 2.998 0.997 1.00 0.00 C ATOM 171 O LEU A 131 6.446 2.555 1.087 1.00 0.00 O ATOM 172 CB LEU A 131 9.441 1.595 0.057 1.00 0.00 C ATOM 173 CG LEU A 131 10.306 1.160 -1.129 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.302 0.095 -0.697 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.436 0.642 -2.266 1.00 0.00 C ATOM 0 H LEU A 131 10.160 3.876 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 131 7.779 2.402 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.097 1.920 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.891 0.728 0.422 1.00 0.00 H new ATOM 0 HG LEU A 131 10.859 2.028 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.909 -0.203 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.948 0.496 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.764 -0.772 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.069 0.338 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 131 8.856 -0.214 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.759 1.430 -2.594 1.00 0.00 H new ATOM 187 N GLU A 132 8.165 3.727 1.949 1.00 0.00 N ATOM 188 CA GLU A 132 7.467 4.061 3.188 1.00 0.00 C ATOM 189 C GLU A 132 6.193 4.859 2.920 1.00 0.00 C ATOM 190 O GLU A 132 5.131 4.545 3.459 1.00 0.00 O ATOM 191 CB GLU A 132 8.389 4.852 4.119 1.00 0.00 C ATOM 192 CG GLU A 132 9.641 4.094 4.532 1.00 0.00 C ATOM 193 CD GLU A 132 9.342 2.868 5.377 1.00 0.00 C ATOM 194 OE1 GLU A 132 8.154 2.630 5.684 1.00 0.00 O ATOM 195 OE2 GLU A 132 10.298 2.150 5.737 1.00 0.00 O ATOM 0 H GLU A 132 9.113 4.099 1.887 1.00 0.00 H new ATOM 0 HA GLU A 132 7.183 3.124 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.683 5.778 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.833 5.132 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.185 3.788 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.296 4.763 5.091 1.00 0.00 H new ATOM 202 N LYS A 133 6.303 5.897 2.093 1.00 0.00 N ATOM 203 CA LYS A 133 5.152 6.736 1.772 1.00 0.00 C ATOM 204 C LYS A 133 4.042 5.921 1.114 1.00 0.00 C ATOM 205 O LYS A 133 2.864 6.111 1.416 1.00 0.00 O ATOM 206 CB LYS A 133 5.562 7.903 0.866 1.00 0.00 C ATOM 207 CG LYS A 133 6.121 7.475 -0.481 1.00 0.00 C ATOM 208 CD LYS A 133 6.479 8.673 -1.348 1.00 0.00 C ATOM 209 CE LYS A 133 5.251 9.502 -1.696 1.00 0.00 C ATOM 210 NZ LYS A 133 5.596 10.675 -2.544 1.00 0.00 N ATOM 0 H LYS A 133 7.171 6.175 1.636 1.00 0.00 H new ATOM 0 HA LYS A 133 4.769 7.142 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.695 8.543 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.309 8.505 1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.007 6.859 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.388 6.857 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.203 9.297 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.958 8.329 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.527 8.877 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.773 9.845 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.733 11.214 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.267 11.285 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.029 10.347 -3.431 1.00 0.00 H new ATOM 224 N GLN A 134 4.420 5.010 0.218 1.00 0.00 N ATOM 225 CA GLN A 134 3.444 4.168 -0.471 1.00 0.00 C ATOM 226 C GLN A 134 2.592 3.393 0.528 1.00 0.00 C ATOM 227 O GLN A 134 1.371 3.317 0.387 1.00 0.00 O ATOM 228 CB GLN A 134 4.145 3.192 -1.419 1.00 0.00 C ATOM 229 CG GLN A 134 4.844 3.863 -2.589 1.00 0.00 C ATOM 230 CD GLN A 134 3.881 4.574 -3.521 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.190 5.512 -3.124 1.00 0.00 O ATOM 232 NE2 GLN A 134 3.830 4.129 -4.772 1.00 0.00 N ATOM 0 H GLN A 134 5.390 4.837 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 134 2.794 4.822 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.877 2.615 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.411 2.485 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.571 4.581 -2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.401 3.114 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 134 4.420 3.348 -5.060 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.201 4.568 -5.444 1.00 0.00 H new ATOM 241 N LEU A 135 3.242 2.818 1.533 1.00 0.00 N ATOM 242 CA LEU A 135 2.542 2.046 2.554 1.00 0.00 C ATOM 243 C LEU A 135 1.523 2.911 3.286 1.00 0.00 C ATOM 244 O LEU A 135 0.399 2.481 3.546 1.00 0.00 O ATOM 245 CB LEU A 135 3.541 1.453 3.552 1.00 0.00 C ATOM 246 CG LEU A 135 2.923 0.604 4.666 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.204 -0.604 4.085 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.994 0.161 5.652 1.00 0.00 C ATOM 0 H LEU A 135 4.252 2.871 1.663 1.00 0.00 H new ATOM 0 HA LEU A 135 2.011 1.233 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.257 0.840 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 135 4.103 2.269 4.008 1.00 0.00 H new ATOM 0 HG LEU A 135 2.193 1.215 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.772 -1.194 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.411 -0.269 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.913 -1.216 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.538 -0.442 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.746 -0.431 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.466 1.038 6.095 1.00 0.00 H new ATOM 260 N ALA A 136 1.926 4.131 3.611 1.00 0.00 N ATOM 261 CA ALA A 136 1.055 5.068 4.312 1.00 0.00 C ATOM 262 C ALA A 136 -0.185 5.389 3.482 1.00 0.00 C ATOM 263 O ALA A 136 -1.303 5.407 3.999 1.00 0.00 O ATOM 264 CB ALA A 136 1.814 6.343 4.645 1.00 0.00 C ATOM 0 H ALA A 136 2.854 4.498 3.400 1.00 0.00 H new ATOM 0 HA ALA A 136 0.728 4.600 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.153 7.034 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.666 6.104 5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.168 6.807 3.724 1.00 0.00 H new ATOM 270 N ILE A 137 0.022 5.641 2.193 1.00 0.00 N ATOM 271 CA ILE A 137 -1.074 5.962 1.288 1.00 0.00 C ATOM 272 C ILE A 137 -2.094 4.829 1.239 1.00 0.00 C ATOM 273 O ILE A 137 -3.302 5.068 1.244 1.00 0.00 O ATOM 274 CB ILE A 137 -0.562 6.242 -0.139 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.448 7.394 -0.122 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.728 6.561 -1.068 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.054 7.696 -1.477 1.00 0.00 C ATOM 0 H ILE A 137 0.942 5.629 1.752 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.552 6.862 1.675 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.061 5.350 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.044 8.291 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.248 7.153 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.351 6.756 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.413 5.714 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.255 7.441 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.758 8.523 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.576 6.814 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.264 7.969 -2.176 1.00 0.00 H new ATOM 289 N GLU A 138 -1.599 3.595 1.189 1.00 0.00 N ATOM 290 CA GLU A 138 -2.467 2.424 1.137 1.00 0.00 C ATOM 291 C GLU A 138 -3.391 2.377 2.347 1.00 0.00 C ATOM 292 O GLU A 138 -4.581 2.100 2.219 1.00 0.00 O ATOM 293 CB GLU A 138 -1.636 1.143 1.077 1.00 0.00 C ATOM 294 CG GLU A 138 -0.725 1.057 -0.136 1.00 0.00 C ATOM 295 CD GLU A 138 -1.485 1.087 -1.450 1.00 0.00 C ATOM 296 OE1 GLU A 138 -2.139 2.111 -1.739 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.424 0.084 -2.191 1.00 0.00 O ATOM 0 H GLU A 138 -0.602 3.381 1.183 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.074 2.500 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.030 1.072 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.308 0.285 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.018 1.886 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.141 0.138 -0.081 1.00 0.00 H new ATOM 304 N LEU A 139 -2.833 2.648 3.522 1.00 0.00 N ATOM 305 CA LEU A 139 -3.608 2.636 4.756 1.00 0.00 C ATOM 306 C LEU A 139 -4.741 3.656 4.697 1.00 0.00 C ATOM 307 O LEU A 139 -5.841 3.407 5.190 1.00 0.00 O ATOM 308 CB LEU A 139 -2.701 2.928 5.956 1.00 0.00 C ATOM 309 CG LEU A 139 -1.573 1.916 6.180 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.689 2.352 7.339 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.141 0.527 6.439 1.00 0.00 C ATOM 0 H LEU A 139 -1.847 2.879 3.645 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.044 1.644 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.261 3.917 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.316 2.968 6.855 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.965 1.876 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.107 1.622 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.252 3.326 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.288 2.421 8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.324 -0.177 6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.773 0.552 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.733 0.210 5.581 1.00 0.00 H new ATOM 323 N LYS A 140 -4.459 4.808 4.097 1.00 0.00 N ATOM 324 CA LYS A 140 -5.446 5.876 3.976 1.00 0.00 C ATOM 325 C LYS A 140 -6.635 5.437 3.119 1.00 0.00 C ATOM 326 O LYS A 140 -7.787 5.556 3.537 1.00 0.00 O ATOM 327 CB LYS A 140 -4.786 7.126 3.378 1.00 0.00 C ATOM 328 CG LYS A 140 -5.652 8.381 3.418 1.00 0.00 C ATOM 329 CD LYS A 140 -6.753 8.353 2.367 1.00 0.00 C ATOM 330 CE LYS A 140 -7.586 9.624 2.398 1.00 0.00 C ATOM 331 NZ LYS A 140 -8.656 9.610 1.364 1.00 0.00 N ATOM 0 H LYS A 140 -3.552 5.027 3.685 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.824 6.111 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.858 7.323 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.517 6.919 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.099 8.481 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -5.025 9.259 3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.311 8.231 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.397 7.490 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.035 9.740 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.939 10.487 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -9.202 10.494 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -8.226 9.525 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.289 8.802 1.530 1.00 0.00 H new ATOM 345 N VAL A 141 -6.350 4.942 1.917 1.00 0.00 N ATOM 346 CA VAL A 141 -7.401 4.502 1.001 1.00 0.00 C ATOM 347 C VAL A 141 -8.131 3.269 1.528 1.00 0.00 C ATOM 348 O VAL A 141 -9.358 3.200 1.481 1.00 0.00 O ATOM 349 CB VAL A 141 -6.837 4.190 -0.399 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.953 3.769 -1.346 1.00 0.00 C ATOM 351 CG2 VAL A 141 -6.084 5.391 -0.949 1.00 0.00 C ATOM 0 H VAL A 141 -5.403 4.835 1.555 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.108 5.328 0.927 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.137 3.359 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.534 3.553 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.443 2.877 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.681 4.575 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.692 5.153 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.761 6.243 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.258 5.639 -0.282 1.00 0.00 H new ATOM 361 N LYS A 142 -7.371 2.294 2.015 1.00 0.00 N ATOM 362 CA LYS A 142 -7.949 1.059 2.539 1.00 0.00 C ATOM 363 C LYS A 142 -8.922 1.349 3.676 1.00 0.00 C ATOM 364 O LYS A 142 -10.023 0.801 3.717 1.00 0.00 O ATOM 365 CB LYS A 142 -6.842 0.118 3.022 1.00 0.00 C ATOM 366 CG LYS A 142 -7.359 -1.201 3.574 1.00 0.00 C ATOM 367 CD LYS A 142 -6.217 -2.112 3.995 1.00 0.00 C ATOM 368 CE LYS A 142 -6.729 -3.431 4.552 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.558 -3.235 5.772 1.00 0.00 N ATOM 0 H LYS A 142 -6.353 2.334 2.058 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.500 0.576 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.164 -0.086 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.260 0.622 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.008 -1.010 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.965 -1.701 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.570 -2.305 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.609 -1.610 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.319 -3.942 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.884 -4.078 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.717 -4.153 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.064 -2.597 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.473 -2.818 5.507 1.00 0.00 H new ATOM 383 N GLN A 143 -8.509 2.215 4.597 1.00 0.00 N ATOM 384 CA GLN A 143 -9.349 2.577 5.732 1.00 0.00 C ATOM 385 C GLN A 143 -10.605 3.291 5.250 1.00 0.00 C ATOM 386 O GLN A 143 -11.718 2.955 5.656 1.00 0.00 O ATOM 387 CB GLN A 143 -8.564 3.466 6.705 1.00 0.00 C ATOM 388 CG GLN A 143 -9.285 3.744 8.019 1.00 0.00 C ATOM 389 CD GLN A 143 -10.509 4.624 7.852 1.00 0.00 C ATOM 390 OE1 GLN A 143 -10.414 5.756 7.378 1.00 0.00 O ATOM 391 NE2 GLN A 143 -11.668 4.107 8.244 1.00 0.00 N ATOM 0 H GLN A 143 -7.600 2.678 4.579 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.648 1.669 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.607 2.991 6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.345 4.415 6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -9.584 2.798 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -8.593 4.222 8.712 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -11.701 3.164 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -12.525 4.653 8.157 1.00 0.00 H new ATOM 400 N GLY A 144 -10.418 4.270 4.369 1.00 0.00 N ATOM 401 CA GLY A 144 -11.543 5.009 3.831 1.00 0.00 C ATOM 402 C GLY A 144 -12.494 4.111 3.071 1.00 0.00 C ATOM 403 O GLY A 144 -13.705 4.337 3.057 1.00 0.00 O ATOM 0 H GLY A 144 -9.506 4.564 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.078 5.499 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.179 5.795 3.170 1.00 0.00 H new ATOM 407 N ALA A 145 -11.941 3.076 2.444 1.00 0.00 N ATOM 408 CA ALA A 145 -12.734 2.126 1.687 1.00 0.00 C ATOM 409 C ALA A 145 -13.646 1.349 2.618 1.00 0.00 C ATOM 410 O ALA A 145 -14.825 1.155 2.331 1.00 0.00 O ATOM 411 CB ALA A 145 -11.828 1.179 0.913 1.00 0.00 C ATOM 0 H ALA A 145 -10.940 2.878 2.449 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.350 2.672 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.437 0.472 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.207 1.752 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.191 0.634 1.610 1.00 0.00 H new ATOM 417 N GLU A 146 -13.088 0.918 3.745 1.00 0.00 N ATOM 418 CA GLU A 146 -13.851 0.169 4.738 1.00 0.00 C ATOM 419 C GLU A 146 -15.034 0.991 5.226 1.00 0.00 C ATOM 420 O GLU A 146 -16.135 0.469 5.401 1.00 0.00 O ATOM 421 CB GLU A 146 -12.963 -0.223 5.920 1.00 0.00 C ATOM 422 CG GLU A 146 -11.811 -1.139 5.542 1.00 0.00 C ATOM 423 CD GLU A 146 -10.961 -1.532 6.735 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.264 -1.076 7.858 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.991 -2.295 6.547 1.00 0.00 O ATOM 0 H GLU A 146 -12.111 1.074 3.993 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.223 -0.741 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.561 0.682 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.575 -0.716 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.207 -2.039 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.184 -0.641 4.802 1.00 0.00 H new ATOM 432 N ASN A 147 -14.802 2.284 5.433 1.00 0.00 N ATOM 433 CA ASN A 147 -15.852 3.182 5.888 1.00 0.00 C ATOM 434 C ASN A 147 -17.011 3.174 4.900 1.00 0.00 C ATOM 435 O ASN A 147 -18.175 3.137 5.292 1.00 0.00 O ATOM 436 CB ASN A 147 -15.310 4.603 6.052 1.00 0.00 C ATOM 437 CG ASN A 147 -16.363 5.565 6.568 1.00 0.00 C ATOM 438 OD1 ASN A 147 -16.895 5.390 7.664 1.00 0.00 O ATOM 439 ND2 ASN A 147 -16.671 6.586 5.777 1.00 0.00 N ATOM 0 H ASN A 147 -13.896 2.731 5.292 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.210 2.834 6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.465 4.590 6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.935 4.959 5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -17.374 7.264 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -16.204 6.692 4.876 1.00 0.00 H new ATOM 446 N MET A 148 -16.678 3.200 3.610 1.00 0.00 N ATOM 447 CA MET A 148 -17.689 3.185 2.560 1.00 0.00 C ATOM 448 C MET A 148 -18.436 1.855 2.553 1.00 0.00 C ATOM 449 O MET A 148 -19.664 1.823 2.475 1.00 0.00 O ATOM 450 CB MET A 148 -17.046 3.426 1.193 1.00 0.00 C ATOM 451 CG MET A 148 -16.345 4.770 1.077 1.00 0.00 C ATOM 452 SD MET A 148 -15.611 5.033 -0.549 1.00 0.00 S ATOM 453 CE MET A 148 -17.058 4.919 -1.599 1.00 0.00 C ATOM 0 H MET A 148 -15.717 3.231 3.270 1.00 0.00 H new ATOM 0 HA MET A 148 -18.400 3.986 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.326 2.632 0.995 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.814 3.359 0.423 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.060 5.567 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.567 4.836 1.838 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.977 4.039 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.951 4.837 -0.980 1.00 0.00 H new ATOM 0 HE3 MET A 148 -17.128 5.812 -2.221 1.00 0.00 H new ATOM 463 N ILE A 149 -17.686 0.759 2.640 1.00 0.00 N ATOM 464 CA ILE A 149 -18.276 -0.574 2.647 1.00 0.00 C ATOM 465 C ILE A 149 -19.324 -0.694 3.750 1.00 0.00 C ATOM 466 O ILE A 149 -20.399 -1.253 3.541 1.00 0.00 O ATOM 467 CB ILE A 149 -17.207 -1.667 2.860 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.076 -1.533 1.834 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.838 -3.050 2.781 1.00 0.00 C ATOM 470 CD1 ILE A 149 -16.524 -1.677 0.394 1.00 0.00 C ATOM 0 H ILE A 149 -16.668 0.769 2.707 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.743 -0.719 1.673 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.780 -1.536 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -15.600 -0.560 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.318 -2.288 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.071 -3.809 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.602 -3.146 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.294 -3.186 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -15.664 -1.569 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -16.972 -2.660 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -17.258 -0.906 0.163 1.00 0.00 H new ATOM 482 N GLN A 150 -18.995 -0.161 4.922 1.00 0.00 N ATOM 483 CA GLN A 150 -19.891 -0.197 6.067 1.00 0.00 C ATOM 484 C GLN A 150 -21.063 0.767 5.882 1.00 0.00 C ATOM 485 O GLN A 150 -22.203 0.440 6.212 1.00 0.00 O ATOM 486 CB GLN A 150 -19.098 0.136 7.340 1.00 0.00 C ATOM 487 CG GLN A 150 -19.786 1.125 8.268 1.00 0.00 C ATOM 488 CD GLN A 150 -21.041 0.573 8.928 1.00 0.00 C ATOM 489 OE1 GLN A 150 -21.727 1.284 9.662 1.00 0.00 O ATOM 490 NE2 GLN A 150 -21.349 -0.697 8.681 1.00 0.00 N ATOM 0 H GLN A 150 -18.106 0.305 5.102 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.311 -1.199 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.910 -0.787 7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.127 0.540 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -19.084 1.432 9.043 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -20.047 2.019 7.702 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -20.756 -1.255 8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -22.178 -1.113 9.106 1.00 0.00 H new ATOM 499 N THR A 151 -20.772 1.956 5.366 1.00 0.00 N ATOM 500 CA THR A 151 -21.799 2.971 5.152 1.00 0.00 C ATOM 501 C THR A 151 -22.930 2.457 4.265 1.00 0.00 C ATOM 502 O THR A 151 -24.104 2.550 4.627 1.00 0.00 O ATOM 503 CB THR A 151 -21.205 4.242 4.510 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.255 4.841 5.398 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.299 5.250 4.173 1.00 0.00 C ATOM 0 H THR A 151 -19.833 2.242 5.088 1.00 0.00 H new ATOM 0 HA THR A 151 -22.201 3.212 6.136 1.00 0.00 H new ATOM 0 HB THR A 151 -20.707 3.952 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.412 4.342 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.851 6.136 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.003 4.802 3.472 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.826 5.534 5.084 1.00 0.00 H new ATOM 513 N TYR A 152 -22.574 1.930 3.100 1.00 0.00 N ATOM 514 CA TYR A 152 -23.567 1.421 2.161 1.00 0.00 C ATOM 515 C TYR A 152 -24.198 0.121 2.648 1.00 0.00 C ATOM 516 O TYR A 152 -25.411 -0.058 2.544 1.00 0.00 O ATOM 517 CB TYR A 152 -22.952 1.236 0.774 1.00 0.00 C ATOM 518 CG TYR A 152 -22.570 2.545 0.114 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.506 3.303 0.589 1.00 0.00 C ATOM 520 CD2 TYR A 152 -23.275 3.022 -0.982 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.158 4.499 -0.009 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.934 4.218 -1.585 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.875 4.952 -1.095 1.00 0.00 C ATOM 524 OH TYR A 152 -21.532 6.143 -1.693 1.00 0.00 O ATOM 0 H TYR A 152 -21.608 1.844 2.783 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.363 2.163 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.067 0.606 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.661 0.708 0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -20.942 2.951 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -24.104 2.449 -1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.328 5.076 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -23.495 4.576 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 152 -22.136 6.317 -2.445 1.00 0.00 H new ATOM 649 N LYS A 161 -24.402 -0.263 -7.244 1.00 0.00 N ATOM 650 CA LYS A 161 -23.366 0.279 -8.120 1.00 0.00 C ATOM 651 C LYS A 161 -22.184 0.810 -7.315 1.00 0.00 C ATOM 652 O LYS A 161 -21.032 0.463 -7.582 1.00 0.00 O ATOM 653 CB LYS A 161 -23.945 1.391 -8.997 1.00 0.00 C ATOM 654 CG LYS A 161 -25.065 0.921 -9.914 1.00 0.00 C ATOM 655 CD LYS A 161 -25.617 2.059 -10.761 1.00 0.00 C ATOM 656 CE LYS A 161 -26.269 3.131 -9.902 1.00 0.00 C ATOM 657 NZ LYS A 161 -26.841 4.230 -10.728 1.00 0.00 N ATOM 0 HA LYS A 161 -23.007 -0.530 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -24.321 2.189 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -23.146 1.818 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -24.694 0.130 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -25.868 0.490 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -24.811 2.501 -11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -26.347 1.666 -11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -27.057 2.683 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -25.532 3.541 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -27.276 4.941 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -26.084 4.675 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -27.562 3.843 -11.369 1.00 0.00 H new ATOM 671 N LEU A 162 -22.474 1.649 -6.327 1.00 0.00 N ATOM 672 CA LEU A 162 -21.434 2.225 -5.481 1.00 0.00 C ATOM 673 C LEU A 162 -20.819 1.168 -4.570 1.00 0.00 C ATOM 674 O LEU A 162 -19.620 1.203 -4.291 1.00 0.00 O ATOM 675 CB LEU A 162 -21.994 3.379 -4.647 1.00 0.00 C ATOM 676 CG LEU A 162 -22.240 4.687 -5.410 1.00 0.00 C ATOM 677 CD1 LEU A 162 -20.934 5.237 -5.964 1.00 0.00 C ATOM 678 CD2 LEU A 162 -23.248 4.481 -6.532 1.00 0.00 C ATOM 0 H LEU A 162 -23.421 1.946 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.651 2.612 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.934 3.058 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.304 3.581 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 162 -22.653 5.413 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -21.129 6.165 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -20.244 5.432 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -20.492 4.509 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -23.405 5.423 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -22.868 3.735 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -24.194 4.137 -6.113 1.00 0.00 H new ATOM 690 N LEU A 163 -21.643 0.230 -4.108 1.00 0.00 N ATOM 691 CA LEU A 163 -21.169 -0.836 -3.228 1.00 0.00 C ATOM 692 C LEU A 163 -19.999 -1.573 -3.869 1.00 0.00 C ATOM 693 O LEU A 163 -18.959 -1.771 -3.243 1.00 0.00 O ATOM 694 CB LEU A 163 -22.303 -1.820 -2.926 1.00 0.00 C ATOM 695 CG LEU A 163 -21.932 -2.984 -2.006 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.540 -2.476 -0.627 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.087 -3.968 -1.902 1.00 0.00 C ATOM 0 H LEU A 163 -22.638 0.186 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.833 -0.387 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.128 -1.270 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.670 -2.226 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.074 -3.501 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.280 -3.320 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.682 -1.810 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.377 -1.933 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.806 -4.790 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.962 -3.460 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.322 -4.360 -2.892 1.00 0.00 H new ATOM 709 N LEU A 164 -20.176 -1.965 -5.126 1.00 0.00 N ATOM 710 CA LEU A 164 -19.133 -2.666 -5.862 1.00 0.00 C ATOM 711 C LEU A 164 -17.947 -1.743 -6.110 1.00 0.00 C ATOM 712 O LEU A 164 -16.794 -2.175 -6.094 1.00 0.00 O ATOM 713 CB LEU A 164 -19.676 -3.188 -7.194 1.00 0.00 C ATOM 714 CG LEU A 164 -20.847 -4.168 -7.082 1.00 0.00 C ATOM 715 CD1 LEU A 164 -21.335 -4.572 -8.463 1.00 0.00 C ATOM 716 CD2 LEU A 164 -20.443 -5.397 -6.279 1.00 0.00 C ATOM 0 H LEU A 164 -21.033 -1.808 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 164 -18.801 -3.514 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -19.992 -2.337 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -18.864 -3.677 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 164 -21.663 -3.670 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.167 -5.269 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -21.665 -3.686 -9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -20.523 -5.051 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -21.289 -6.081 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -19.610 -5.897 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.140 -5.093 -5.277 1.00 0.00 H new ATOM 728 N THR A 165 -18.243 -0.467 -6.344 1.00 0.00 N ATOM 729 CA THR A 165 -17.211 0.531 -6.599 1.00 0.00 C ATOM 730 C THR A 165 -16.215 0.605 -5.444 1.00 0.00 C ATOM 731 O THR A 165 -15.002 0.596 -5.658 1.00 0.00 O ATOM 732 CB THR A 165 -17.830 1.924 -6.822 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.740 1.884 -7.928 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.754 2.967 -7.090 1.00 0.00 C ATOM 0 H THR A 165 -19.194 -0.100 -6.362 1.00 0.00 H new ATOM 0 HA THR A 165 -16.686 0.223 -7.503 1.00 0.00 H new ATOM 0 HB THR A 165 -18.365 2.203 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.557 1.413 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 165 -17.221 3.940 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 165 -16.078 3.020 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.192 2.689 -7.982 1.00 0.00 H new ATOM 742 N ALA A 166 -16.733 0.677 -4.222 1.00 0.00 N ATOM 743 CA ALA A 166 -15.887 0.752 -3.036 1.00 0.00 C ATOM 744 C ALA A 166 -15.104 -0.539 -2.839 1.00 0.00 C ATOM 745 O ALA A 166 -13.898 -0.511 -2.594 1.00 0.00 O ATOM 746 CB ALA A 166 -16.724 1.060 -1.804 1.00 0.00 C ATOM 0 H ALA A 166 -17.734 0.685 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.172 1.561 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.077 1.112 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.231 2.016 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.465 0.273 -1.661 1.00 0.00 H new ATOM 752 N GLN A 167 -15.794 -1.668 -2.956 1.00 0.00 N ATOM 753 CA GLN A 167 -15.159 -2.971 -2.801 1.00 0.00 C ATOM 754 C GLN A 167 -14.006 -3.113 -3.785 1.00 0.00 C ATOM 755 O GLN A 167 -12.969 -3.695 -3.466 1.00 0.00 O ATOM 756 CB GLN A 167 -16.176 -4.093 -3.023 1.00 0.00 C ATOM 757 CG GLN A 167 -17.326 -4.082 -2.029 1.00 0.00 C ATOM 758 CD GLN A 167 -18.333 -5.184 -2.292 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.938 -5.246 -3.362 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.518 -6.063 -1.313 1.00 0.00 N ATOM 0 H GLN A 167 -16.793 -1.707 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.771 -3.047 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.579 -4.011 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.664 -5.053 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -16.930 -4.190 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.830 -3.116 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -17.995 -5.974 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -19.183 -6.827 -1.433 1.00 0.00 H new ATOM 769 N GLN A 168 -14.198 -2.567 -4.981 1.00 0.00 N ATOM 770 CA GLN A 168 -13.179 -2.617 -6.019 1.00 0.00 C ATOM 771 C GLN A 168 -11.938 -1.842 -5.597 1.00 0.00 C ATOM 772 O GLN A 168 -10.813 -2.312 -5.775 1.00 0.00 O ATOM 773 CB GLN A 168 -13.729 -2.052 -7.331 1.00 0.00 C ATOM 774 CG GLN A 168 -12.745 -2.132 -8.486 1.00 0.00 C ATOM 775 CD GLN A 168 -12.342 -3.557 -8.810 1.00 0.00 C ATOM 776 OE1 GLN A 168 -13.182 -4.390 -9.151 1.00 0.00 O ATOM 777 NE2 GLN A 168 -11.050 -3.847 -8.701 1.00 0.00 N ATOM 0 H GLN A 168 -15.053 -2.084 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.900 -3.660 -6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.636 -2.594 -7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.013 -1.011 -7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -13.189 -1.674 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.855 -1.553 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.388 -3.126 -8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.720 -4.791 -8.903 1.00 0.00 H new ATOM 786 N MET A 169 -12.144 -0.654 -5.033 1.00 0.00 N ATOM 787 CA MET A 169 -11.030 0.175 -4.584 1.00 0.00 C ATOM 788 C MET A 169 -10.260 -0.526 -3.473 1.00 0.00 C ATOM 789 O MET A 169 -9.029 -0.512 -3.451 1.00 0.00 O ATOM 790 CB MET A 169 -11.524 1.535 -4.087 1.00 0.00 C ATOM 791 CG MET A 169 -12.335 2.309 -5.114 1.00 0.00 C ATOM 792 SD MET A 169 -12.617 4.023 -4.625 1.00 0.00 S ATOM 793 CE MET A 169 -13.286 3.809 -2.977 1.00 0.00 C ATOM 0 H MET A 169 -13.066 -0.247 -4.877 1.00 0.00 H new ATOM 0 HA MET A 169 -10.368 0.334 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.133 1.386 -3.195 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.665 2.136 -3.789 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.816 2.289 -6.072 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.295 1.814 -5.262 1.00 0.00 H new ATOM 0 HE1 MET A 169 -14.166 4.441 -2.856 1.00 0.00 H new ATOM 0 HE2 MET A 169 -13.566 2.766 -2.831 1.00 0.00 H new ATOM 0 HE3 MET A 169 -12.534 4.089 -2.240 1.00 0.00 H new ATOM 803 N LEU A 170 -10.996 -1.136 -2.548 1.00 0.00 N ATOM 804 CA LEU A 170 -10.386 -1.842 -1.430 1.00 0.00 C ATOM 805 C LEU A 170 -9.513 -2.992 -1.923 1.00 0.00 C ATOM 806 O LEU A 170 -8.384 -3.167 -1.467 1.00 0.00 O ATOM 807 CB LEU A 170 -11.464 -2.376 -0.485 1.00 0.00 C ATOM 808 CG LEU A 170 -10.936 -3.041 0.789 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.156 -2.041 1.629 1.00 0.00 C ATOM 810 CD2 LEU A 170 -12.080 -3.636 1.594 1.00 0.00 C ATOM 0 H LEU A 170 -12.016 -1.154 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.756 -1.136 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.119 -1.552 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.076 -3.097 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.262 -3.848 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.788 -2.531 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -9.312 -1.661 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.808 -1.213 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -11.685 -4.104 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.779 -2.847 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -12.597 -4.384 0.993 1.00 0.00 H new ATOM 822 N GLN A 171 -10.047 -3.773 -2.858 1.00 0.00 N ATOM 823 CA GLN A 171 -9.324 -4.911 -3.415 1.00 0.00 C ATOM 824 C GLN A 171 -8.038 -4.466 -4.106 1.00 0.00 C ATOM 825 O GLN A 171 -6.984 -5.079 -3.930 1.00 0.00 O ATOM 826 CB GLN A 171 -10.211 -5.669 -4.405 1.00 0.00 C ATOM 827 CG GLN A 171 -9.549 -6.899 -5.006 1.00 0.00 C ATOM 828 CD GLN A 171 -9.205 -7.949 -3.967 1.00 0.00 C ATOM 829 OE1 GLN A 171 -8.404 -7.709 -3.063 1.00 0.00 O ATOM 830 NE2 GLN A 171 -9.814 -9.123 -4.089 1.00 0.00 N ATOM 0 H GLN A 171 -10.980 -3.638 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.057 -5.573 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.127 -5.972 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.500 -4.994 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -10.214 -7.336 -5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -8.640 -6.599 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -10.471 -9.280 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -9.625 -9.868 -3.418 1.00 0.00 H new ATOM 839 N ASP A 172 -8.131 -3.399 -4.893 1.00 0.00 N ATOM 840 CA ASP A 172 -6.975 -2.875 -5.613 1.00 0.00 C ATOM 841 C ASP A 172 -5.851 -2.516 -4.647 1.00 0.00 C ATOM 842 O ASP A 172 -4.683 -2.809 -4.901 1.00 0.00 O ATOM 843 CB ASP A 172 -7.373 -1.647 -6.436 1.00 0.00 C ATOM 844 CG ASP A 172 -6.223 -1.100 -7.263 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.212 -0.670 -6.668 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.333 -1.103 -8.507 1.00 0.00 O ATOM 0 H ASP A 172 -8.995 -2.880 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.614 -3.652 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.199 -1.910 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.737 -0.868 -5.766 1.00 0.00 H new ATOM 851 N SER A 173 -6.214 -1.877 -3.540 1.00 0.00 N ATOM 852 CA SER A 173 -5.241 -1.474 -2.534 1.00 0.00 C ATOM 853 C SER A 173 -4.554 -2.689 -1.918 1.00 0.00 C ATOM 854 O SER A 173 -3.340 -2.691 -1.719 1.00 0.00 O ATOM 855 CB SER A 173 -5.922 -0.650 -1.440 1.00 0.00 C ATOM 856 OG SER A 173 -6.528 0.512 -1.980 1.00 0.00 O ATOM 0 H SER A 173 -7.178 -1.627 -3.317 1.00 0.00 H new ATOM 0 HA SER A 173 -4.483 -0.863 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 173 -6.675 -1.257 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.189 -0.365 -0.686 1.00 0.00 H new ATOM 0 HG SER A 173 -7.339 0.261 -2.470 1.00 0.00 H new ATOM 862 N LYS A 174 -5.340 -3.717 -1.612 1.00 0.00 N ATOM 863 CA LYS A 174 -4.810 -4.936 -1.011 1.00 0.00 C ATOM 864 C LYS A 174 -3.703 -5.546 -1.866 1.00 0.00 C ATOM 865 O LYS A 174 -2.615 -5.836 -1.370 1.00 0.00 O ATOM 866 CB LYS A 174 -5.932 -5.961 -0.816 1.00 0.00 C ATOM 867 CG LYS A 174 -7.067 -5.469 0.072 1.00 0.00 C ATOM 868 CD LYS A 174 -6.597 -5.189 1.493 1.00 0.00 C ATOM 869 CE LYS A 174 -6.095 -6.450 2.178 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.151 -7.498 2.259 1.00 0.00 N ATOM 0 H LYS A 174 -6.347 -3.730 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.386 -4.669 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.337 -6.232 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.511 -6.868 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.494 -4.561 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.861 -6.215 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -5.801 -4.444 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -7.418 -4.763 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -5.236 -6.842 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -5.750 -6.204 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.849 -8.245 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -8.036 -7.073 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.306 -7.908 1.316 1.00 0.00 H new ATOM 884 N THR A 175 -3.989 -5.744 -3.148 1.00 0.00 N ATOM 885 CA THR A 175 -3.020 -6.330 -4.071 1.00 0.00 C ATOM 886 C THR A 175 -1.718 -5.535 -4.101 1.00 0.00 C ATOM 887 O THR A 175 -0.628 -6.109 -4.055 1.00 0.00 O ATOM 888 CB THR A 175 -3.590 -6.413 -5.500 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.794 -7.190 -5.504 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.579 -7.032 -6.455 1.00 0.00 C ATOM 0 H THR A 175 -4.885 -5.507 -3.574 1.00 0.00 H new ATOM 0 HA THR A 175 -2.812 -7.336 -3.706 1.00 0.00 H new ATOM 0 HB THR A 175 -3.809 -5.400 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.150 -7.236 -6.416 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.006 -7.079 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.676 -6.422 -6.474 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.330 -8.039 -6.119 1.00 0.00 H new ATOM 898 N LYS A 176 -1.836 -4.215 -4.188 1.00 0.00 N ATOM 899 CA LYS A 176 -0.666 -3.345 -4.236 1.00 0.00 C ATOM 900 C LYS A 176 0.160 -3.448 -2.957 1.00 0.00 C ATOM 901 O LYS A 176 1.388 -3.484 -3.007 1.00 0.00 O ATOM 902 CB LYS A 176 -1.093 -1.895 -4.472 1.00 0.00 C ATOM 903 CG LYS A 176 -1.832 -1.686 -5.785 1.00 0.00 C ATOM 904 CD LYS A 176 -0.966 -2.057 -6.979 1.00 0.00 C ATOM 905 CE LYS A 176 -1.724 -1.896 -8.287 1.00 0.00 C ATOM 906 NZ LYS A 176 -2.173 -0.493 -8.498 1.00 0.00 N ATOM 0 H LYS A 176 -2.729 -3.724 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.041 -3.674 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.732 -1.574 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.209 -1.257 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -2.740 -2.289 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.140 -0.644 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -0.075 -1.429 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -0.627 -3.088 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -1.086 -2.202 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.589 -2.559 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -2.518 -0.382 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -2.940 -0.270 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -1.375 0.155 -8.337 1.00 0.00 H new ATOM 920 N ILE A 177 -0.517 -3.492 -1.813 1.00 0.00 N ATOM 921 CA ILE A 177 0.165 -3.585 -0.526 1.00 0.00 C ATOM 922 C ILE A 177 1.016 -4.849 -0.438 1.00 0.00 C ATOM 923 O ILE A 177 2.130 -4.818 0.084 1.00 0.00 O ATOM 924 CB ILE A 177 -0.831 -3.547 0.651 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.559 -2.201 0.667 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.107 -3.788 1.970 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.544 -2.043 1.806 1.00 0.00 C ATOM 0 H ILE A 177 -1.535 -3.465 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 177 0.818 -2.715 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.566 -4.341 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.820 -1.402 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.089 -2.076 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.825 -3.758 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.376 -4.765 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.646 -3.014 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.017 -1.063 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.307 -2.819 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.019 -2.134 2.757 1.00 0.00 H new ATOM 939 N ASP A 178 0.493 -5.958 -0.954 1.00 0.00 N ATOM 940 CA ASP A 178 1.223 -7.222 -0.931 1.00 0.00 C ATOM 941 C ASP A 178 2.512 -7.118 -1.740 1.00 0.00 C ATOM 942 O ASP A 178 3.577 -7.542 -1.285 1.00 0.00 O ATOM 943 CB ASP A 178 0.351 -8.356 -1.474 1.00 0.00 C ATOM 944 CG ASP A 178 -0.771 -8.730 -0.525 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.587 -7.846 -0.190 1.00 0.00 O ATOM 946 OD2 ASP A 178 -0.834 -9.909 -0.117 1.00 0.00 O ATOM 0 H ASP A 178 -0.428 -6.007 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 178 1.481 -7.444 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.073 -8.057 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.973 -9.232 -1.659 1.00 0.00 H new ATOM 951 N ILE A 179 2.414 -6.546 -2.937 1.00 0.00 N ATOM 952 CA ILE A 179 3.579 -6.384 -3.800 1.00 0.00 C ATOM 953 C ILE A 179 4.610 -5.467 -3.150 1.00 0.00 C ATOM 954 O ILE A 179 5.805 -5.756 -3.155 1.00 0.00 O ATOM 955 CB ILE A 179 3.192 -5.813 -5.179 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.156 -6.717 -5.854 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.432 -5.669 -6.052 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.659 -6.186 -7.183 1.00 0.00 C ATOM 0 H ILE A 179 1.543 -6.188 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 179 4.009 -7.375 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 179 2.749 -4.826 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.593 -7.704 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.306 -6.845 -5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.148 -5.265 -7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.139 -4.993 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.897 -6.645 -6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.929 -6.879 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.192 -5.212 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.498 -6.084 -7.871 1.00 0.00 H new ATOM 970 N ILE A 180 4.142 -4.364 -2.580 1.00 0.00 N ATOM 971 CA ILE A 180 5.031 -3.421 -1.916 1.00 0.00 C ATOM 972 C ILE A 180 5.694 -4.076 -0.710 1.00 0.00 C ATOM 973 O ILE A 180 6.868 -3.840 -0.429 1.00 0.00 O ATOM 974 CB ILE A 180 4.280 -2.153 -1.458 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.694 -1.419 -2.667 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.214 -1.241 -0.672 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.916 -0.170 -2.305 1.00 0.00 C ATOM 0 H ILE A 180 3.156 -4.102 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 180 5.790 -3.128 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 180 3.459 -2.447 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.504 -1.148 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.039 -2.099 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.671 -0.350 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.586 -1.770 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.053 -0.949 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.532 0.295 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.084 -0.436 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.572 0.530 -1.788 1.00 0.00 H new ATOM 989 N ARG A 181 4.929 -4.899 -0.003 1.00 0.00 N ATOM 990 CA ARG A 181 5.427 -5.592 1.178 1.00 0.00 C ATOM 991 C ARG A 181 6.687 -6.391 0.860 1.00 0.00 C ATOM 992 O ARG A 181 7.687 -6.292 1.572 1.00 0.00 O ATOM 993 CB ARG A 181 4.347 -6.516 1.742 1.00 0.00 C ATOM 994 CG ARG A 181 4.762 -7.239 3.012 1.00 0.00 C ATOM 995 CD ARG A 181 3.628 -8.091 3.559 1.00 0.00 C ATOM 996 NE ARG A 181 4.007 -8.793 4.783 1.00 0.00 N ATOM 997 CZ ARG A 181 4.350 -8.181 5.914 1.00 0.00 C ATOM 998 NH1 ARG A 181 4.349 -6.856 5.985 1.00 0.00 N ATOM 999 NH2 ARG A 181 4.690 -8.895 6.979 1.00 0.00 N ATOM 0 H ARG A 181 3.956 -5.103 -0.229 1.00 0.00 H new ATOM 0 HA ARG A 181 5.683 -4.841 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.450 -5.930 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.081 -7.254 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 181 5.627 -7.869 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.068 -6.511 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 181 2.763 -7.458 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.325 -8.817 2.805 1.00 0.00 H new ATOM 0 HE ARG A 181 4.009 -9.813 4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 181 4.085 -6.302 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 181 4.613 -6.392 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 181 4.689 -9.914 6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 181 4.953 -8.425 7.845 1.00 0.00 H new ATOM 1013 N MET A 182 6.641 -7.184 -0.210 1.00 0.00 N ATOM 1014 CA MET A 182 7.795 -7.987 -0.599 1.00 0.00 C ATOM 1015 C MET A 182 8.952 -7.087 -1.025 1.00 0.00 C ATOM 1016 O MET A 182 10.119 -7.421 -0.810 1.00 0.00 O ATOM 1017 CB MET A 182 7.429 -8.983 -1.712 1.00 0.00 C ATOM 1018 CG MET A 182 7.076 -8.350 -3.048 1.00 0.00 C ATOM 1019 SD MET A 182 8.521 -7.780 -3.967 1.00 0.00 S ATOM 1020 CE MET A 182 9.431 -9.311 -4.155 1.00 0.00 C ATOM 0 H MET A 182 5.826 -7.286 -0.815 1.00 0.00 H new ATOM 0 HA MET A 182 8.114 -8.566 0.267 1.00 0.00 H new ATOM 0 HB2 MET A 182 8.267 -9.664 -1.860 1.00 0.00 H new ATOM 0 HB3 MET A 182 6.584 -9.585 -1.377 1.00 0.00 H new ATOM 0 HG2 MET A 182 6.531 -9.074 -3.653 1.00 0.00 H new ATOM 0 HG3 MET A 182 6.406 -7.507 -2.878 1.00 0.00 H new ATOM 0 HE1 MET A 182 10.076 -9.245 -5.031 1.00 0.00 H new ATOM 0 HE2 MET A 182 10.040 -9.484 -3.268 1.00 0.00 H new ATOM 0 HE3 MET A 182 8.731 -10.137 -4.281 1.00 0.00 H new ATOM 1030 N GLN A 183 8.624 -5.941 -1.621 1.00 0.00 N ATOM 1031 CA GLN A 183 9.642 -4.993 -2.063 1.00 0.00 C ATOM 1032 C GLN A 183 10.467 -4.501 -0.878 1.00 0.00 C ATOM 1033 O GLN A 183 11.696 -4.478 -0.931 1.00 0.00 O ATOM 1034 CB GLN A 183 9.000 -3.804 -2.779 1.00 0.00 C ATOM 1035 CG GLN A 183 8.267 -4.184 -4.056 1.00 0.00 C ATOM 1036 CD GLN A 183 7.665 -2.982 -4.759 1.00 0.00 C ATOM 1037 OE1 GLN A 183 8.377 -2.060 -5.157 1.00 0.00 O ATOM 1038 NE2 GLN A 183 6.346 -2.985 -4.913 1.00 0.00 N ATOM 0 H GLN A 183 7.665 -5.649 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 183 10.301 -5.508 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.300 -3.317 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.773 -3.074 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 183 8.958 -4.688 -4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.477 -4.896 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 183 5.794 -3.770 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 183 5.885 -2.202 -5.377 1.00 0.00 H new ATOM 1047 N LEU A 184 9.779 -4.115 0.195 1.00 0.00 N ATOM 1048 CA LEU A 184 10.445 -3.633 1.399 1.00 0.00 C ATOM 1049 C LEU A 184 11.360 -4.707 1.974 1.00 0.00 C ATOM 1050 O LEU A 184 12.493 -4.426 2.361 1.00 0.00 O ATOM 1051 CB LEU A 184 9.415 -3.203 2.450 1.00 0.00 C ATOM 1052 CG LEU A 184 8.838 -1.794 2.271 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.915 -0.745 2.499 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.225 -1.629 0.889 1.00 0.00 C ATOM 0 H LEU A 184 8.761 -4.127 0.253 1.00 0.00 H new ATOM 0 HA LEU A 184 11.050 -2.768 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.592 -3.918 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.879 -3.264 3.434 1.00 0.00 H new ATOM 0 HG LEU A 184 8.051 -1.655 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.488 0.249 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 184 10.308 -0.841 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.722 -0.891 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.823 -0.621 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.990 -1.793 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.422 -2.355 0.758 1.00 0.00 H new ATOM 1066 N ARG A 185 10.861 -5.938 2.019 1.00 0.00 N ATOM 1067 CA ARG A 185 11.636 -7.058 2.540 1.00 0.00 C ATOM 1068 C ARG A 185 12.974 -7.167 1.817 1.00 0.00 C ATOM 1069 O ARG A 185 14.016 -7.361 2.443 1.00 0.00 O ATOM 1070 CB ARG A 185 10.853 -8.363 2.388 1.00 0.00 C ATOM 1071 CG ARG A 185 9.539 -8.376 3.153 1.00 0.00 C ATOM 1072 CD ARG A 185 8.779 -9.674 2.930 1.00 0.00 C ATOM 1073 NE ARG A 185 9.559 -10.844 3.325 1.00 0.00 N ATOM 1074 CZ ARG A 185 9.956 -11.085 4.572 1.00 0.00 C ATOM 1075 NH1 ARG A 185 9.632 -10.251 5.552 1.00 0.00 N ATOM 1076 NH2 ARG A 185 10.674 -12.168 4.841 1.00 0.00 N ATOM 0 H ARG A 185 9.924 -6.185 1.701 1.00 0.00 H new ATOM 0 HA ARG A 185 11.825 -6.880 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.650 -8.534 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 185 11.473 -9.191 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.735 -8.246 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 185 8.924 -7.534 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 185 7.849 -9.651 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 185 8.508 -9.758 1.878 1.00 0.00 H new ATOM 0 HE ARG A 185 9.815 -11.516 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.076 -9.420 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 185 9.939 -10.441 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 185 10.921 -12.815 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 185 10.979 -12.353 5.797 1.00 0.00 H new ATOM 1090 N ARG A 186 12.935 -7.032 0.496 1.00 0.00 N ATOM 1091 CA ARG A 186 14.140 -7.106 -0.322 1.00 0.00 C ATOM 1092 C ARG A 186 15.097 -5.967 0.014 1.00 0.00 C ATOM 1093 O ARG A 186 16.316 -6.143 0.001 1.00 0.00 O ATOM 1094 CB ARG A 186 13.778 -7.064 -1.808 1.00 0.00 C ATOM 1095 CG ARG A 186 12.936 -8.245 -2.266 1.00 0.00 C ATOM 1096 CD ARG A 186 13.684 -9.561 -2.108 1.00 0.00 C ATOM 1097 NE ARG A 186 12.886 -10.705 -2.542 1.00 0.00 N ATOM 1098 CZ ARG A 186 12.473 -10.890 -3.793 1.00 0.00 C ATOM 1099 NH1 ARG A 186 12.792 -10.016 -4.740 1.00 0.00 N ATOM 1100 NH2 ARG A 186 11.744 -11.954 -4.100 1.00 0.00 N ATOM 0 H ARG A 186 12.078 -6.870 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 186 14.639 -8.051 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.236 -6.141 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 186 14.696 -7.034 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 186 12.012 -8.279 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 186 12.655 -8.109 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 186 14.607 -9.524 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.967 -9.693 -1.064 1.00 0.00 H new ATOM 0 HE ARG A 186 12.630 -11.404 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 186 13.356 -9.198 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 186 12.473 -10.162 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 186 11.500 -12.631 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 186 11.427 -12.096 -5.059 1.00 0.00 H new ATOM 1114 N ALA A 187 14.537 -4.798 0.313 1.00 0.00 N ATOM 1115 CA ALA A 187 15.338 -3.628 0.651 1.00 0.00 C ATOM 1116 C ALA A 187 16.191 -3.888 1.887 1.00 0.00 C ATOM 1117 O ALA A 187 17.380 -3.567 1.912 1.00 0.00 O ATOM 1118 CB ALA A 187 14.440 -2.420 0.871 1.00 0.00 C ATOM 0 H ALA A 187 13.530 -4.637 0.328 1.00 0.00 H new ATOM 0 HA ALA A 187 16.007 -3.421 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.051 -1.553 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.877 -2.215 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.748 -2.625 1.688 1.00 0.00 H new