USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 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+ 166:sc= -0.051 (180deg=-0.319) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.391 F(o=-2.5!,f=-0.39) USER MOD Single : A 140 LYS NZ :NH3+ 165:sc= -0.0539 (180deg=-0.327) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 147 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.44) USER MOD Single : A 148 MET CE :methyl -174:sc= -2.78! (180deg=-3.06!) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 THR OG1 : rot 73:sc= 1.3 USER MOD Single : A 152 TYR OH : rot 30:sc= -0.767 USER MOD Single : A 161 LYS NZ :NH3+ -113:sc= -0.28 (180deg=-2.4!) USER MOD Single : A 165 THR OG1 : rot 69:sc= 0.471 USER MOD Single : A 167 GLN : amide:sc= -1.57! X(o=-1.6!,f=-1.7) USER MOD Single : A 168 GLN : amide:sc= -1.69 K(o=-1.7,f=-5.4!) USER MOD Single : A 169 MET CE :methyl -101:sc= -2.92! (180deg=-4.44!) USER MOD Single : A 171 GLN : amide:sc= -0.75 K(o=-0.75,f=-3!) USER MOD Single : A 173 SER OG : rot -32:sc= 0.87 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 THR OG1 : rot 76:sc= 0.191 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.153 5.253 -3.381 1.00 0.00 N ATOM 112 CA ARG A 127 13.542 3.931 -3.301 1.00 0.00 C ATOM 113 C ARG A 127 12.808 3.744 -1.977 1.00 0.00 C ATOM 114 O ARG A 127 11.599 3.515 -1.956 1.00 0.00 O ATOM 115 CB ARG A 127 14.610 2.846 -3.465 1.00 0.00 C ATOM 116 CG ARG A 127 14.071 1.427 -3.360 1.00 0.00 C ATOM 117 CD ARG A 127 13.055 1.128 -4.452 1.00 0.00 C ATOM 118 NE ARG A 127 13.619 1.297 -5.790 1.00 0.00 N ATOM 119 CZ ARG A 127 14.618 0.562 -6.274 1.00 0.00 C ATOM 120 NH1 ARG A 127 15.156 -0.404 -5.540 1.00 0.00 N ATOM 121 NH2 ARG A 127 15.078 0.793 -7.496 1.00 0.00 N ATOM 0 HA ARG A 127 12.815 3.845 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.093 2.970 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.378 2.989 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.897 0.718 -3.427 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.608 1.285 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.692 0.107 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 127 12.194 1.787 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 127 13.223 2.022 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.804 -0.586 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.921 -0.964 -5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.667 1.533 -8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.843 0.230 -7.868 1.00 0.00 H new ATOM 135 N VAL A 128 13.543 3.852 -0.874 1.00 0.00 N ATOM 136 CA VAL A 128 12.956 3.700 0.453 1.00 0.00 C ATOM 137 C VAL A 128 11.815 4.690 0.656 1.00 0.00 C ATOM 138 O VAL A 128 10.771 4.345 1.209 1.00 0.00 O ATOM 139 CB VAL A 128 14.008 3.905 1.559 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.391 3.699 2.935 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.187 2.965 1.351 1.00 0.00 C ATOM 0 H VAL A 128 14.545 4.044 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 128 12.570 2.683 0.520 1.00 0.00 H new ATOM 0 HB VAL A 128 14.371 4.931 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.152 3.849 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.582 4.415 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.996 2.686 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.922 3.122 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.839 1.933 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.646 3.166 0.383 1.00 0.00 H new ATOM 151 N ALA A 129 12.020 5.918 0.192 1.00 0.00 N ATOM 152 CA ALA A 129 11.010 6.959 0.306 1.00 0.00 C ATOM 153 C ALA A 129 9.718 6.518 -0.366 1.00 0.00 C ATOM 154 O ALA A 129 8.625 6.793 0.127 1.00 0.00 O ATOM 155 CB ALA A 129 11.517 8.255 -0.309 1.00 0.00 C ATOM 0 H ALA A 129 12.880 6.216 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 129 10.806 7.134 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.751 9.025 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.419 8.576 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.744 8.093 -1.363 1.00 0.00 H new ATOM 161 N GLY A 130 9.856 5.826 -1.494 1.00 0.00 N ATOM 162 CA GLY A 130 8.693 5.348 -2.216 1.00 0.00 C ATOM 163 C GLY A 130 7.870 4.378 -1.394 1.00 0.00 C ATOM 164 O GLY A 130 6.689 4.610 -1.156 1.00 0.00 O ATOM 0 H GLY A 130 10.752 5.589 -1.919 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.072 6.196 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.014 4.861 -3.137 1.00 0.00 H new ATOM 168 N LEU A 131 8.495 3.290 -0.953 1.00 0.00 N ATOM 169 CA LEU A 131 7.812 2.289 -0.151 1.00 0.00 C ATOM 170 C LEU A 131 7.137 2.910 1.071 1.00 0.00 C ATOM 171 O LEU A 131 5.984 2.606 1.370 1.00 0.00 O ATOM 172 CB LEU A 131 8.798 1.208 0.291 1.00 0.00 C ATOM 173 CG LEU A 131 9.272 0.272 -0.821 1.00 0.00 C ATOM 174 CD1 LEU A 131 10.341 0.915 -1.678 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.785 -1.029 -0.237 1.00 0.00 C ATOM 0 H LEU A 131 9.476 3.082 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 131 7.035 1.841 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.669 1.691 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.332 0.610 1.074 1.00 0.00 H new ATOM 0 HG LEU A 131 8.414 0.063 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 131 10.651 0.218 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 131 9.943 1.819 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.200 1.171 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.118 -1.683 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 131 10.620 -0.823 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.986 -1.518 0.320 1.00 0.00 H new ATOM 187 N GLU A 132 7.859 3.773 1.776 1.00 0.00 N ATOM 188 CA GLU A 132 7.321 4.421 2.971 1.00 0.00 C ATOM 189 C GLU A 132 6.047 5.205 2.657 1.00 0.00 C ATOM 190 O GLU A 132 5.004 4.989 3.282 1.00 0.00 O ATOM 191 CB GLU A 132 8.369 5.350 3.587 1.00 0.00 C ATOM 192 CG GLU A 132 9.621 4.628 4.065 1.00 0.00 C ATOM 193 CD GLU A 132 9.351 3.679 5.220 1.00 0.00 C ATOM 194 OE1 GLU A 132 8.193 3.616 5.684 1.00 0.00 O ATOM 195 OE2 GLU A 132 10.302 3.002 5.664 1.00 0.00 O ATOM 0 H GLU A 132 8.815 4.041 1.544 1.00 0.00 H new ATOM 0 HA GLU A 132 7.068 3.639 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.653 6.102 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.922 5.880 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.051 4.068 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 132 10.364 5.364 4.372 1.00 0.00 H new ATOM 202 N LYS A 133 6.133 6.115 1.691 1.00 0.00 N ATOM 203 CA LYS A 133 4.978 6.924 1.313 1.00 0.00 C ATOM 204 C LYS A 133 3.836 6.043 0.815 1.00 0.00 C ATOM 205 O LYS A 133 2.665 6.351 1.035 1.00 0.00 O ATOM 206 CB LYS A 133 5.358 7.959 0.249 1.00 0.00 C ATOM 207 CG LYS A 133 5.793 7.357 -1.075 1.00 0.00 C ATOM 208 CD LYS A 133 6.131 8.435 -2.092 1.00 0.00 C ATOM 209 CE LYS A 133 6.536 7.836 -3.428 1.00 0.00 C ATOM 210 NZ LYS A 133 5.452 7.001 -4.015 1.00 0.00 N ATOM 0 H LYS A 133 6.982 6.310 1.160 1.00 0.00 H new ATOM 0 HA LYS A 133 4.639 7.456 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.505 8.615 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.165 8.582 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.662 6.718 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 133 4.998 6.722 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.269 9.088 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.942 9.055 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 133 6.793 8.637 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 133 7.431 7.228 -3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 5.665 6.807 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 5.385 6.103 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 4.547 7.509 -3.946 1.00 0.00 H new ATOM 224 N GLN A 134 4.182 4.945 0.148 1.00 0.00 N ATOM 225 CA GLN A 134 3.180 4.022 -0.374 1.00 0.00 C ATOM 226 C GLN A 134 2.326 3.441 0.748 1.00 0.00 C ATOM 227 O GLN A 134 1.100 3.464 0.674 1.00 0.00 O ATOM 228 CB GLN A 134 3.846 2.889 -1.159 1.00 0.00 C ATOM 229 CG GLN A 134 4.450 3.329 -2.484 1.00 0.00 C ATOM 230 CD GLN A 134 3.412 3.767 -3.506 1.00 0.00 C ATOM 231 OE1 GLN A 134 2.134 3.616 -3.173 1.00 0.00 O flip ATOM 232 NE2 GLN A 134 3.759 4.231 -4.593 1.00 0.00 N flip ATOM 0 H GLN A 134 5.147 4.674 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 134 2.531 4.586 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.629 2.445 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.109 2.109 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.141 4.152 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.034 2.507 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 134 4.750 4.331 -4.812 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.055 4.515 -5.274 1.00 0.00 H new ATOM 241 N LEU A 135 2.977 2.925 1.789 1.00 0.00 N ATOM 242 CA LEU A 135 2.264 2.345 2.922 1.00 0.00 C ATOM 243 C LEU A 135 1.283 3.343 3.521 1.00 0.00 C ATOM 244 O LEU A 135 0.146 2.996 3.841 1.00 0.00 O ATOM 245 CB LEU A 135 3.248 1.867 3.995 1.00 0.00 C ATOM 246 CG LEU A 135 3.810 0.454 3.796 1.00 0.00 C ATOM 247 CD1 LEU A 135 2.695 -0.579 3.868 1.00 0.00 C ATOM 248 CD2 LEU A 135 4.552 0.344 2.473 1.00 0.00 C ATOM 0 H LEU A 135 3.993 2.897 1.870 1.00 0.00 H new ATOM 0 HA LEU A 135 1.701 1.487 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.082 2.568 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.750 1.907 4.964 1.00 0.00 H new ATOM 0 HG LEU A 135 4.519 0.257 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.113 -1.576 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.211 -0.525 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.961 -0.377 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.940 -0.668 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 135 3.869 0.567 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.379 1.054 2.460 1.00 0.00 H new ATOM 260 N ALA A 136 1.728 4.583 3.670 1.00 0.00 N ATOM 261 CA ALA A 136 0.884 5.634 4.233 1.00 0.00 C ATOM 262 C ALA A 136 -0.363 5.867 3.378 1.00 0.00 C ATOM 263 O ALA A 136 -1.483 5.914 3.891 1.00 0.00 O ATOM 264 CB ALA A 136 1.677 6.925 4.375 1.00 0.00 C ATOM 0 H ALA A 136 2.666 4.888 3.410 1.00 0.00 H new ATOM 0 HA ALA A 136 0.555 5.308 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.037 7.701 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.528 6.759 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.035 7.242 3.395 1.00 0.00 H new ATOM 270 N ILE A 137 -0.158 6.014 2.072 1.00 0.00 N ATOM 271 CA ILE A 137 -1.259 6.249 1.143 1.00 0.00 C ATOM 272 C ILE A 137 -2.230 5.069 1.112 1.00 0.00 C ATOM 273 O ILE A 137 -3.446 5.257 1.091 1.00 0.00 O ATOM 274 CB ILE A 137 -0.737 6.509 -0.285 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.222 7.703 -0.288 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.900 6.751 -1.239 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.851 7.978 -1.639 1.00 0.00 C ATOM 0 H ILE A 137 0.762 5.974 1.633 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.788 7.133 1.501 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.193 5.628 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.318 8.592 0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.012 7.524 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.516 6.933 -2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.548 5.875 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.469 7.619 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.517 8.837 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.420 7.105 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.069 8.189 -2.368 1.00 0.00 H new ATOM 289 N GLU A 138 -1.685 3.857 1.101 1.00 0.00 N ATOM 290 CA GLU A 138 -2.502 2.648 1.063 1.00 0.00 C ATOM 291 C GLU A 138 -3.441 2.573 2.260 1.00 0.00 C ATOM 292 O GLU A 138 -4.618 2.250 2.114 1.00 0.00 O ATOM 293 CB GLU A 138 -1.614 1.404 1.027 1.00 0.00 C ATOM 294 CG GLU A 138 -0.764 1.294 -0.227 1.00 0.00 C ATOM 295 CD GLU A 138 -1.592 1.271 -1.496 1.00 0.00 C ATOM 296 OE1 GLU A 138 -2.436 0.361 -1.637 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.396 2.162 -2.349 1.00 0.00 O ATOM 0 H GLU A 138 -0.680 3.685 1.118 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.105 2.688 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.960 1.411 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.243 0.517 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.071 2.134 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.162 0.387 -0.174 1.00 0.00 H new ATOM 304 N LEU A 139 -2.917 2.866 3.444 1.00 0.00 N ATOM 305 CA LEU A 139 -3.718 2.826 4.663 1.00 0.00 C ATOM 306 C LEU A 139 -4.883 3.804 4.583 1.00 0.00 C ATOM 307 O LEU A 139 -5.993 3.496 5.011 1.00 0.00 O ATOM 308 CB LEU A 139 -2.849 3.141 5.883 1.00 0.00 C ATOM 309 CG LEU A 139 -1.714 2.151 6.145 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.862 2.612 7.317 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.269 0.756 6.406 1.00 0.00 C ATOM 0 H LEU A 139 -1.943 3.133 3.587 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.123 1.819 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.421 4.135 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.488 3.178 6.765 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.084 2.110 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.060 1.894 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.434 3.589 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.481 2.684 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.446 0.066 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.923 0.782 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.836 0.421 5.537 1.00 0.00 H new ATOM 323 N LYS A 140 -4.620 4.987 4.036 1.00 0.00 N ATOM 324 CA LYS A 140 -5.649 6.013 3.905 1.00 0.00 C ATOM 325 C LYS A 140 -6.796 5.545 3.008 1.00 0.00 C ATOM 326 O LYS A 140 -7.966 5.657 3.373 1.00 0.00 O ATOM 327 CB LYS A 140 -5.043 7.299 3.338 1.00 0.00 C ATOM 328 CG LYS A 140 -6.047 8.431 3.190 1.00 0.00 C ATOM 329 CD LYS A 140 -5.417 9.661 2.553 1.00 0.00 C ATOM 330 CE LYS A 140 -4.966 9.386 1.128 1.00 0.00 C ATOM 331 NZ LYS A 140 -6.100 8.971 0.257 1.00 0.00 N ATOM 0 H LYS A 140 -3.705 5.259 3.677 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.052 6.207 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.232 7.626 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.603 7.085 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.887 8.096 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.447 8.693 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.135 10.481 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.563 9.983 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.500 10.281 0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.206 8.604 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.814 9.038 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.365 7.989 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.914 9.595 0.427 1.00 0.00 H new ATOM 345 N VAL A 141 -6.453 5.035 1.828 1.00 0.00 N ATOM 346 CA VAL A 141 -7.454 4.565 0.873 1.00 0.00 C ATOM 347 C VAL A 141 -8.182 3.320 1.374 1.00 0.00 C ATOM 348 O VAL A 141 -9.411 3.262 1.354 1.00 0.00 O ATOM 349 CB VAL A 141 -6.816 4.259 -0.497 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.870 3.786 -1.489 1.00 0.00 C ATOM 351 CG2 VAL A 141 -6.085 5.481 -1.028 1.00 0.00 C ATOM 0 H VAL A 141 -5.489 4.936 1.510 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.179 5.372 0.764 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.091 3.456 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.398 3.576 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.344 2.880 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.623 4.563 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.641 5.247 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.789 6.305 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.300 5.768 -0.328 1.00 0.00 H new ATOM 361 N LYS A 142 -7.418 2.324 1.811 1.00 0.00 N ATOM 362 CA LYS A 142 -7.994 1.076 2.304 1.00 0.00 C ATOM 363 C LYS A 142 -8.952 1.327 3.464 1.00 0.00 C ATOM 364 O LYS A 142 -10.044 0.761 3.510 1.00 0.00 O ATOM 365 CB LYS A 142 -6.886 0.117 2.742 1.00 0.00 C ATOM 366 CG LYS A 142 -7.404 -1.219 3.250 1.00 0.00 C ATOM 367 CD LYS A 142 -6.265 -2.148 3.637 1.00 0.00 C ATOM 368 CE LYS A 142 -6.784 -3.478 4.161 1.00 0.00 C ATOM 369 NZ LYS A 142 -5.674 -4.404 4.519 1.00 0.00 N ATOM 0 H LYS A 142 -6.399 2.356 1.834 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.559 0.625 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.215 -0.059 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.296 0.591 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.050 -1.056 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.014 -1.691 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.625 -2.321 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.648 -1.671 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.409 -3.304 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -7.417 -3.944 3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -6.069 -5.299 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -5.092 -4.590 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.085 -3.970 5.258 1.00 0.00 H new ATOM 383 N GLN A 143 -8.536 2.174 4.401 1.00 0.00 N ATOM 384 CA GLN A 143 -9.358 2.492 5.562 1.00 0.00 C ATOM 385 C GLN A 143 -10.708 3.062 5.136 1.00 0.00 C ATOM 386 O GLN A 143 -11.757 2.595 5.578 1.00 0.00 O ATOM 387 CB GLN A 143 -8.634 3.490 6.468 1.00 0.00 C ATOM 388 CG GLN A 143 -9.405 3.839 7.732 1.00 0.00 C ATOM 389 CD GLN A 143 -8.700 4.870 8.597 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.533 5.333 8.156 1.00 0.00 O flip ATOM 391 NE2 GLN A 143 -9.201 5.249 9.655 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.635 2.652 4.378 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.532 1.569 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.664 3.077 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.442 4.404 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.390 4.217 7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.564 2.932 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.098 4.870 9.959 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.719 5.942 10.228 1.00 0.00 H new ATOM 400 N GLY A 144 -10.670 4.071 4.273 1.00 0.00 N ATOM 401 CA GLY A 144 -11.892 4.691 3.797 1.00 0.00 C ATOM 402 C GLY A 144 -12.794 3.714 3.069 1.00 0.00 C ATOM 403 O GLY A 144 -14.018 3.807 3.157 1.00 0.00 O ATOM 0 H GLY A 144 -9.812 4.471 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.432 5.118 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.641 5.515 3.129 1.00 0.00 H new ATOM 407 N ALA A 145 -12.188 2.774 2.351 1.00 0.00 N ATOM 408 CA ALA A 145 -12.944 1.775 1.609 1.00 0.00 C ATOM 409 C ALA A 145 -13.714 0.876 2.563 1.00 0.00 C ATOM 410 O ALA A 145 -14.868 0.529 2.314 1.00 0.00 O ATOM 411 CB ALA A 145 -12.013 0.949 0.734 1.00 0.00 C ATOM 0 H ALA A 145 -11.175 2.684 2.268 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.659 2.288 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.593 0.207 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.501 1.603 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.277 0.445 1.360 1.00 0.00 H new ATOM 417 N GLU A 146 -13.065 0.509 3.660 1.00 0.00 N ATOM 418 CA GLU A 146 -13.683 -0.348 4.668 1.00 0.00 C ATOM 419 C GLU A 146 -14.925 0.314 5.251 1.00 0.00 C ATOM 420 O GLU A 146 -15.960 -0.329 5.426 1.00 0.00 O ATOM 421 CB GLU A 146 -12.687 -0.664 5.785 1.00 0.00 C ATOM 422 CG GLU A 146 -11.448 -1.402 5.307 1.00 0.00 C ATOM 423 CD GLU A 146 -10.470 -1.691 6.431 1.00 0.00 C ATOM 424 OE1 GLU A 146 -9.999 -0.727 7.071 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.177 -2.881 6.671 1.00 0.00 O ATOM 0 H GLU A 146 -12.109 0.791 3.876 1.00 0.00 H new ATOM 0 HA GLU A 146 -13.979 -1.279 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.383 0.267 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.186 -1.264 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.746 -2.341 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -10.950 -0.809 4.540 1.00 0.00 H new ATOM 432 N ASN A 147 -14.814 1.605 5.547 1.00 0.00 N ATOM 433 CA ASN A 147 -15.927 2.360 6.106 1.00 0.00 C ATOM 434 C ASN A 147 -17.111 2.376 5.146 1.00 0.00 C ATOM 435 O ASN A 147 -18.256 2.200 5.558 1.00 0.00 O ATOM 436 CB ASN A 147 -15.491 3.792 6.429 1.00 0.00 C ATOM 437 CG ASN A 147 -14.492 3.849 7.568 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.409 3.272 7.490 1.00 0.00 O ATOM 439 ND2 ASN A 147 -14.855 4.547 8.639 1.00 0.00 N ATOM 0 H ASN A 147 -13.963 2.150 5.408 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.240 1.869 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -15.051 4.244 5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -16.367 4.386 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -14.225 4.619 9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -15.763 5.010 8.662 1.00 0.00 H new ATOM 446 N MET A 148 -16.826 2.588 3.864 1.00 0.00 N ATOM 447 CA MET A 148 -17.872 2.624 2.847 1.00 0.00 C ATOM 448 C MET A 148 -18.574 1.274 2.738 1.00 0.00 C ATOM 449 O MET A 148 -19.803 1.205 2.716 1.00 0.00 O ATOM 450 CB MET A 148 -17.282 3.017 1.491 1.00 0.00 C ATOM 451 CG MET A 148 -16.593 4.373 1.499 1.00 0.00 C ATOM 452 SD MET A 148 -15.918 4.821 -0.112 1.00 0.00 S ATOM 453 CE MET A 148 -17.411 4.894 -1.098 1.00 0.00 C ATOM 0 H MET A 148 -15.883 2.737 3.506 1.00 0.00 H new ATOM 0 HA MET A 148 -18.607 3.371 3.146 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.566 2.256 1.181 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.078 3.027 0.747 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.305 5.136 1.815 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.789 4.363 2.235 1.00 0.00 H new ATOM 0 HE1 MET A 148 -17.149 5.055 -2.144 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.957 3.956 -1.001 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.037 5.716 -0.750 1.00 0.00 H new ATOM 463 N ILE A 149 -17.788 0.203 2.672 1.00 0.00 N ATOM 464 CA ILE A 149 -18.339 -1.144 2.567 1.00 0.00 C ATOM 465 C ILE A 149 -19.286 -1.438 3.725 1.00 0.00 C ATOM 466 O ILE A 149 -20.397 -1.927 3.523 1.00 0.00 O ATOM 467 CB ILE A 149 -17.223 -2.210 2.545 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.299 -1.987 1.345 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.824 -3.608 2.508 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.131 -2.951 1.286 1.00 0.00 C ATOM 0 H ILE A 149 -16.769 0.242 2.689 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.890 -1.190 1.628 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.633 -2.116 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.881 -2.079 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.915 -0.967 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.024 -4.348 2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.443 -3.761 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.436 -3.717 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.522 -2.731 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.525 -2.844 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.505 -3.973 1.221 1.00 0.00 H new ATOM 482 N GLN A 150 -18.837 -1.134 4.938 1.00 0.00 N ATOM 483 CA GLN A 150 -19.644 -1.362 6.132 1.00 0.00 C ATOM 484 C GLN A 150 -20.890 -0.480 6.128 1.00 0.00 C ATOM 485 O GLN A 150 -21.973 -0.919 6.516 1.00 0.00 O ATOM 486 CB GLN A 150 -18.821 -1.095 7.390 1.00 0.00 C ATOM 487 CG GLN A 150 -17.640 -2.036 7.549 1.00 0.00 C ATOM 488 CD GLN A 150 -16.857 -1.778 8.819 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.400 -1.845 9.921 1.00 0.00 O ATOM 490 NE2 GLN A 150 -15.573 -1.482 8.670 1.00 0.00 N ATOM 0 H GLN A 150 -17.919 -0.729 5.121 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.961 -2.405 6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.457 -0.068 7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.467 -1.184 8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.998 -3.066 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.977 -1.930 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -15.165 -1.438 7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -14.993 -1.299 9.489 1.00 0.00 H new ATOM 499 N THR A 151 -20.725 0.765 5.692 1.00 0.00 N ATOM 500 CA THR A 151 -21.833 1.714 5.641 1.00 0.00 C ATOM 501 C THR A 151 -22.989 1.184 4.798 1.00 0.00 C ATOM 502 O THR A 151 -24.149 1.266 5.200 1.00 0.00 O ATOM 503 CB THR A 151 -21.381 3.073 5.072 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.384 3.654 5.922 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.557 4.030 4.940 1.00 0.00 C ATOM 0 H THR A 151 -19.834 1.141 5.368 1.00 0.00 H new ATOM 0 HA THR A 151 -22.174 1.848 6.668 1.00 0.00 H new ATOM 0 HB THR A 151 -20.962 2.901 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.539 3.170 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.209 4.981 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.301 3.601 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.004 4.194 5.920 1.00 0.00 H new ATOM 513 N TYR A 152 -22.670 0.649 3.625 1.00 0.00 N ATOM 514 CA TYR A 152 -23.688 0.113 2.726 1.00 0.00 C ATOM 515 C TYR A 152 -24.271 -1.192 3.262 1.00 0.00 C ATOM 516 O TYR A 152 -25.475 -1.433 3.156 1.00 0.00 O ATOM 517 CB TYR A 152 -23.108 -0.109 1.325 1.00 0.00 C ATOM 518 CG TYR A 152 -22.797 1.170 0.572 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.127 2.225 1.184 1.00 0.00 C ATOM 520 CD2 TYR A 152 -23.174 1.320 -0.756 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.846 3.388 0.495 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.896 2.480 -1.453 1.00 0.00 C ATOM 523 CZ TYR A 152 -22.231 3.510 -0.823 1.00 0.00 C ATOM 524 OH TYR A 152 -21.952 4.668 -1.514 1.00 0.00 O ATOM 0 H TYR A 152 -21.715 0.574 3.273 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.492 0.846 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.195 -0.698 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.814 -0.699 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.822 2.132 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.694 0.515 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.327 4.198 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -23.198 2.579 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.131 5.070 -1.161 1.00 0.00 H new ATOM 649 N LYS A 161 -23.859 0.522 -7.839 1.00 0.00 N ATOM 650 CA LYS A 161 -22.684 1.108 -8.481 1.00 0.00 C ATOM 651 C LYS A 161 -21.705 1.701 -7.468 1.00 0.00 C ATOM 652 O LYS A 161 -20.497 1.482 -7.565 1.00 0.00 O ATOM 653 CB LYS A 161 -23.108 2.181 -9.489 1.00 0.00 C ATOM 654 CG LYS A 161 -23.894 3.327 -8.873 1.00 0.00 C ATOM 655 CD LYS A 161 -24.256 4.374 -9.913 1.00 0.00 C ATOM 656 CE LYS A 161 -25.029 5.528 -9.297 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.254 6.203 -8.220 1.00 0.00 N ATOM 0 HA LYS A 161 -22.168 0.302 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -22.218 2.583 -9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -23.712 1.716 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -24.803 2.940 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.306 3.788 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -23.347 4.752 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.853 3.914 -10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -25.280 6.252 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -25.970 5.158 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -24.719 6.041 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -23.289 5.816 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -24.212 7.224 -8.411 1.00 0.00 H new ATOM 671 N LEU A 162 -22.223 2.463 -6.508 1.00 0.00 N ATOM 672 CA LEU A 162 -21.376 3.093 -5.498 1.00 0.00 C ATOM 673 C LEU A 162 -20.618 2.061 -4.669 1.00 0.00 C ATOM 674 O LEU A 162 -19.419 2.211 -4.432 1.00 0.00 O ATOM 675 CB LEU A 162 -22.208 3.991 -4.579 1.00 0.00 C ATOM 676 CG LEU A 162 -22.766 5.256 -5.236 1.00 0.00 C ATOM 677 CD1 LEU A 162 -23.601 6.047 -4.242 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.636 6.114 -5.788 1.00 0.00 C ATOM 0 H LEU A 162 -23.219 2.659 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.643 3.702 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -23.040 3.408 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.592 4.284 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.408 4.959 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.990 6.943 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -24.432 5.433 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -22.981 6.333 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -22.052 7.009 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.968 6.402 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.078 5.546 -6.532 1.00 0.00 H new ATOM 690 N LEU A 163 -21.315 1.021 -4.222 1.00 0.00 N ATOM 691 CA LEU A 163 -20.682 -0.017 -3.414 1.00 0.00 C ATOM 692 C LEU A 163 -19.551 -0.694 -4.178 1.00 0.00 C ATOM 693 O LEU A 163 -18.466 -0.899 -3.637 1.00 0.00 O ATOM 694 CB LEU A 163 -21.702 -1.064 -2.965 1.00 0.00 C ATOM 695 CG LEU A 163 -21.135 -2.156 -2.055 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.627 -1.558 -0.751 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.178 -3.224 -1.780 1.00 0.00 C ATOM 0 H LEU A 163 -22.308 0.874 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.266 0.468 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.515 -0.560 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.134 -1.534 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 163 -20.295 -2.623 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.228 -2.351 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.841 -0.834 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.448 -1.060 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -21.752 -3.990 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.041 -2.772 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -22.491 -3.678 -2.720 1.00 0.00 H new ATOM 709 N LEU A 164 -19.808 -1.040 -5.437 1.00 0.00 N ATOM 710 CA LEU A 164 -18.801 -1.693 -6.266 1.00 0.00 C ATOM 711 C LEU A 164 -17.542 -0.838 -6.359 1.00 0.00 C ATOM 712 O LEU A 164 -16.428 -1.358 -6.372 1.00 0.00 O ATOM 713 CB LEU A 164 -19.349 -1.971 -7.669 1.00 0.00 C ATOM 714 CG LEU A 164 -20.525 -2.949 -7.732 1.00 0.00 C ATOM 715 CD1 LEU A 164 -21.008 -3.108 -9.166 1.00 0.00 C ATOM 716 CD2 LEU A 164 -20.131 -4.301 -7.152 1.00 0.00 C ATOM 0 H LEU A 164 -20.701 -0.880 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 164 -18.545 -2.643 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -19.660 -1.026 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -18.540 -2.362 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 164 -21.341 -2.543 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -21.844 -3.807 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -21.331 -2.141 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -20.195 -3.491 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -20.981 -4.982 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -19.299 -4.713 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -19.831 -4.177 -6.111 1.00 0.00 H new ATOM 728 N THR A 165 -17.731 0.476 -6.424 1.00 0.00 N ATOM 729 CA THR A 165 -16.610 1.407 -6.514 1.00 0.00 C ATOM 730 C THR A 165 -15.713 1.310 -5.283 1.00 0.00 C ATOM 731 O THR A 165 -14.490 1.230 -5.401 1.00 0.00 O ATOM 732 CB THR A 165 -17.103 2.860 -6.669 1.00 0.00 C ATOM 733 OG1 THR A 165 -17.909 2.982 -7.847 1.00 0.00 O ATOM 734 CG2 THR A 165 -15.931 3.828 -6.751 1.00 0.00 C ATOM 0 H THR A 165 -18.649 0.921 -6.416 1.00 0.00 H new ATOM 0 HA THR A 165 -16.035 1.130 -7.397 1.00 0.00 H new ATOM 0 HB THR A 165 -17.699 3.110 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 165 -18.750 2.495 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.306 4.845 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.336 3.756 -5.841 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.311 3.576 -7.611 1.00 0.00 H new ATOM 742 N ALA A 166 -16.326 1.320 -4.102 1.00 0.00 N ATOM 743 CA ALA A 166 -15.578 1.235 -2.851 1.00 0.00 C ATOM 744 C ALA A 166 -14.931 -0.133 -2.681 1.00 0.00 C ATOM 745 O ALA A 166 -13.740 -0.231 -2.386 1.00 0.00 O ATOM 746 CB ALA A 166 -16.486 1.544 -1.669 1.00 0.00 C ATOM 0 H ALA A 166 -17.337 1.386 -3.985 1.00 0.00 H new ATOM 0 HA ALA A 166 -14.781 1.978 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -15.914 1.477 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -16.890 2.551 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.305 0.826 -1.642 1.00 0.00 H new ATOM 752 N GLN A 167 -15.718 -1.187 -2.876 1.00 0.00 N ATOM 753 CA GLN A 167 -15.210 -2.547 -2.751 1.00 0.00 C ATOM 754 C GLN A 167 -14.035 -2.752 -3.695 1.00 0.00 C ATOM 755 O GLN A 167 -13.069 -3.443 -3.369 1.00 0.00 O ATOM 756 CB GLN A 167 -16.311 -3.567 -3.055 1.00 0.00 C ATOM 757 CG GLN A 167 -17.475 -3.529 -2.075 1.00 0.00 C ATOM 758 CD GLN A 167 -18.487 -4.639 -2.311 1.00 0.00 C ATOM 759 OE1 GLN A 167 -19.469 -4.759 -1.579 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.257 -5.457 -3.335 1.00 0.00 N ATOM 0 H GLN A 167 -16.706 -1.125 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.875 -2.697 -1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.690 -3.389 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.877 -4.567 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.089 -3.607 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.977 -2.565 -2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -17.431 -5.324 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -18.907 -6.217 -3.537 1.00 0.00 H new ATOM 769 N GLN A 168 -14.124 -2.133 -4.868 1.00 0.00 N ATOM 770 CA GLN A 168 -13.073 -2.230 -5.870 1.00 0.00 C ATOM 771 C GLN A 168 -11.776 -1.638 -5.325 1.00 0.00 C ATOM 772 O GLN A 168 -10.708 -2.233 -5.454 1.00 0.00 O ATOM 773 CB GLN A 168 -13.492 -1.491 -7.144 1.00 0.00 C ATOM 774 CG GLN A 168 -13.066 -2.179 -8.433 1.00 0.00 C ATOM 775 CD GLN A 168 -11.567 -2.375 -8.542 1.00 0.00 C ATOM 776 OE1 GLN A 168 -10.973 -3.153 -7.795 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.945 -1.667 -9.478 1.00 0.00 N ATOM 0 H GLN A 168 -14.918 -1.557 -5.147 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.909 -3.281 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.576 -1.380 -7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.068 -0.487 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -13.558 -3.150 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -13.411 -1.589 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.476 -1.034 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -9.936 -1.757 -9.599 1.00 0.00 H new ATOM 786 N MET A 169 -11.880 -0.463 -4.705 1.00 0.00 N ATOM 787 CA MET A 169 -10.712 0.201 -4.135 1.00 0.00 C ATOM 788 C MET A 169 -10.068 -0.670 -3.064 1.00 0.00 C ATOM 789 O MET A 169 -8.844 -0.739 -2.959 1.00 0.00 O ATOM 790 CB MET A 169 -11.096 1.558 -3.539 1.00 0.00 C ATOM 791 CG MET A 169 -11.713 2.514 -4.544 1.00 0.00 C ATOM 792 SD MET A 169 -11.963 4.167 -3.868 1.00 0.00 S ATOM 793 CE MET A 169 -12.992 3.807 -2.446 1.00 0.00 C ATOM 0 H MET A 169 -12.756 0.045 -4.586 1.00 0.00 H new ATOM 0 HA MET A 169 -9.993 0.362 -4.938 1.00 0.00 H new ATOM 0 HB2 MET A 169 -11.800 1.400 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.208 2.021 -3.109 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.069 2.578 -5.421 1.00 0.00 H new ATOM 0 HG3 MET A 169 -12.670 2.114 -4.879 1.00 0.00 H new ATOM 0 HE1 MET A 169 -14.032 4.033 -2.683 1.00 0.00 H new ATOM 0 HE2 MET A 169 -12.900 2.752 -2.188 1.00 0.00 H new ATOM 0 HE3 MET A 169 -12.672 4.417 -1.601 1.00 0.00 H new ATOM 803 N LEU A 170 -10.902 -1.331 -2.268 1.00 0.00 N ATOM 804 CA LEU A 170 -10.416 -2.200 -1.200 1.00 0.00 C ATOM 805 C LEU A 170 -9.568 -3.333 -1.778 1.00 0.00 C ATOM 806 O LEU A 170 -8.522 -3.684 -1.229 1.00 0.00 O ATOM 807 CB LEU A 170 -11.604 -2.763 -0.405 1.00 0.00 C ATOM 808 CG LEU A 170 -11.266 -3.449 0.929 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.568 -4.781 0.702 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.411 -2.537 1.796 1.00 0.00 C ATOM 0 H LEU A 170 -11.918 -1.282 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.788 -1.617 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.299 -1.947 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.129 -3.481 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 170 -12.202 -3.647 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.342 -5.242 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.219 -5.440 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.642 -4.617 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.181 -3.039 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.483 -2.303 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -10.955 -1.615 2.000 1.00 0.00 H new ATOM 822 N GLN A 171 -10.029 -3.902 -2.887 1.00 0.00 N ATOM 823 CA GLN A 171 -9.320 -4.998 -3.539 1.00 0.00 C ATOM 824 C GLN A 171 -7.962 -4.547 -4.075 1.00 0.00 C ATOM 825 O GLN A 171 -6.950 -5.217 -3.869 1.00 0.00 O ATOM 826 CB GLN A 171 -10.164 -5.565 -4.683 1.00 0.00 C ATOM 827 CG GLN A 171 -11.516 -6.105 -4.242 1.00 0.00 C ATOM 828 CD GLN A 171 -11.401 -7.301 -3.317 1.00 0.00 C ATOM 829 OE1 GLN A 171 -10.826 -7.212 -2.232 1.00 0.00 O ATOM 830 NE2 GLN A 171 -11.952 -8.432 -3.744 1.00 0.00 N ATOM 0 H GLN A 171 -10.892 -3.622 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.150 -5.773 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.321 -4.784 -5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -9.606 -6.364 -5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -12.070 -5.314 -3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -12.093 -6.387 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -12.419 -8.461 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -11.908 -9.271 -3.165 1.00 0.00 H new ATOM 839 N ASP A 172 -7.950 -3.415 -4.773 1.00 0.00 N ATOM 840 CA ASP A 172 -6.724 -2.880 -5.352 1.00 0.00 C ATOM 841 C ASP A 172 -5.711 -2.494 -4.278 1.00 0.00 C ATOM 842 O ASP A 172 -4.516 -2.748 -4.424 1.00 0.00 O ATOM 843 CB ASP A 172 -7.044 -1.662 -6.215 1.00 0.00 C ATOM 844 CG ASP A 172 -7.991 -1.988 -7.353 1.00 0.00 C ATOM 845 OD1 ASP A 172 -7.656 -2.871 -8.171 1.00 0.00 O ATOM 846 OD2 ASP A 172 -9.065 -1.356 -7.428 1.00 0.00 O ATOM 0 H ASP A 172 -8.780 -2.849 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.281 -3.664 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -7.485 -0.885 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -6.118 -1.256 -6.622 1.00 0.00 H new ATOM 851 N SER A 173 -6.192 -1.866 -3.211 1.00 0.00 N ATOM 852 CA SER A 173 -5.322 -1.427 -2.124 1.00 0.00 C ATOM 853 C SER A 173 -4.548 -2.597 -1.526 1.00 0.00 C ATOM 854 O SER A 173 -3.338 -2.508 -1.324 1.00 0.00 O ATOM 855 CB SER A 173 -6.142 -0.733 -1.034 1.00 0.00 C ATOM 856 OG SER A 173 -7.098 -1.615 -0.473 1.00 0.00 O ATOM 0 H SER A 173 -7.179 -1.649 -3.075 1.00 0.00 H new ATOM 0 HA SER A 173 -4.603 -0.720 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 173 -5.477 -0.368 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.648 0.137 -1.454 1.00 0.00 H new ATOM 0 HG SER A 173 -7.400 -2.248 -1.157 1.00 0.00 H new ATOM 862 N LYS A 174 -5.249 -3.687 -1.238 1.00 0.00 N ATOM 863 CA LYS A 174 -4.616 -4.867 -0.654 1.00 0.00 C ATOM 864 C LYS A 174 -3.541 -5.441 -1.573 1.00 0.00 C ATOM 865 O LYS A 174 -2.431 -5.736 -1.132 1.00 0.00 O ATOM 866 CB LYS A 174 -5.663 -5.939 -0.345 1.00 0.00 C ATOM 867 CG LYS A 174 -6.693 -5.506 0.686 1.00 0.00 C ATOM 868 CD LYS A 174 -7.663 -6.630 1.020 1.00 0.00 C ATOM 869 CE LYS A 174 -6.949 -7.816 1.654 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.890 -8.920 1.988 1.00 0.00 N ATOM 0 H LYS A 174 -6.252 -3.780 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.137 -4.555 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.177 -6.210 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.158 -6.836 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.185 -5.182 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.248 -4.647 0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.430 -6.260 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.172 -6.954 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -6.184 -8.186 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.437 -7.489 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -7.363 -9.707 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -8.605 -8.575 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -8.360 -9.250 1.121 1.00 0.00 H new ATOM 884 N THR A 175 -3.878 -5.607 -2.848 1.00 0.00 N ATOM 885 CA THR A 175 -2.942 -6.157 -3.825 1.00 0.00 C ATOM 886 C THR A 175 -1.665 -5.324 -3.915 1.00 0.00 C ATOM 887 O THR A 175 -0.557 -5.864 -3.876 1.00 0.00 O ATOM 888 CB THR A 175 -3.580 -6.243 -5.225 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.765 -7.047 -5.175 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.604 -6.834 -6.232 1.00 0.00 C ATOM 0 H THR A 175 -4.793 -5.369 -3.230 1.00 0.00 H new ATOM 0 HA THR A 175 -2.689 -7.159 -3.480 1.00 0.00 H new ATOM 0 HB THR A 175 -3.838 -5.233 -5.543 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.494 -6.531 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.078 -6.884 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.716 -6.205 -6.290 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.318 -7.837 -5.916 1.00 0.00 H new ATOM 898 N LYS A 176 -1.825 -4.011 -4.040 1.00 0.00 N ATOM 899 CA LYS A 176 -0.684 -3.108 -4.140 1.00 0.00 C ATOM 900 C LYS A 176 0.211 -3.218 -2.910 1.00 0.00 C ATOM 901 O LYS A 176 1.435 -3.261 -3.025 1.00 0.00 O ATOM 902 CB LYS A 176 -1.160 -1.664 -4.314 1.00 0.00 C ATOM 903 CG LYS A 176 -1.949 -1.436 -5.595 1.00 0.00 C ATOM 904 CD LYS A 176 -2.392 0.014 -5.732 1.00 0.00 C ATOM 905 CE LYS A 176 -3.360 0.414 -4.628 1.00 0.00 C ATOM 906 NZ LYS A 176 -3.789 1.834 -4.756 1.00 0.00 N ATOM 0 H LYS A 176 -2.733 -3.548 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.102 -3.398 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.780 -1.389 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.295 -1.001 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.337 -1.712 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.824 -2.086 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -1.519 0.665 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -2.867 0.159 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -4.236 -0.234 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.887 0.263 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -4.448 2.068 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -2.956 2.455 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -4.263 1.972 -5.671 1.00 0.00 H new ATOM 920 N ILE A 177 -0.408 -3.265 -1.736 1.00 0.00 N ATOM 921 CA ILE A 177 0.332 -3.372 -0.484 1.00 0.00 C ATOM 922 C ILE A 177 1.157 -4.655 -0.439 1.00 0.00 C ATOM 923 O ILE A 177 2.259 -4.671 0.107 1.00 0.00 O ATOM 924 CB ILE A 177 -0.613 -3.312 0.733 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.306 -1.948 0.781 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.154 -3.573 2.023 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.289 -1.792 1.921 1.00 0.00 C ATOM 0 H ILE A 177 -1.421 -3.231 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 177 1.010 -2.520 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.370 -4.089 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.547 -1.170 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.830 -1.786 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.531 -3.526 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.611 -4.561 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.931 -2.818 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -2.736 -0.798 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.072 -2.545 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.769 -1.920 2.870 1.00 0.00 H new ATOM 939 N ASP A 178 0.622 -5.729 -1.014 1.00 0.00 N ATOM 940 CA ASP A 178 1.325 -7.008 -1.033 1.00 0.00 C ATOM 941 C ASP A 178 2.638 -6.894 -1.805 1.00 0.00 C ATOM 942 O ASP A 178 3.691 -7.306 -1.318 1.00 0.00 O ATOM 943 CB ASP A 178 0.447 -8.095 -1.658 1.00 0.00 C ATOM 944 CG ASP A 178 -0.813 -8.359 -0.857 1.00 0.00 C ATOM 945 OD1 ASP A 178 -0.697 -8.674 0.345 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.916 -8.259 -1.435 1.00 0.00 O ATOM 0 H ASP A 178 -0.290 -5.739 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 178 1.549 -7.283 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.174 -7.798 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 178 1.021 -9.018 -1.740 1.00 0.00 H new ATOM 951 N ILE A 179 2.567 -6.333 -3.010 1.00 0.00 N ATOM 952 CA ILE A 179 3.752 -6.167 -3.847 1.00 0.00 C ATOM 953 C ILE A 179 4.770 -5.250 -3.173 1.00 0.00 C ATOM 954 O ILE A 179 5.952 -5.589 -3.054 1.00 0.00 O ATOM 955 CB ILE A 179 3.384 -5.582 -5.226 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.261 -6.400 -5.875 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.608 -5.538 -6.131 1.00 0.00 C ATOM 958 CD1 ILE A 179 2.602 -7.862 -6.082 1.00 0.00 C ATOM 0 H ILE A 179 1.703 -5.987 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 179 4.190 -7.156 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 179 3.026 -4.562 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 179 1.369 -6.330 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 179 2.013 -5.956 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.330 -5.123 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.375 -4.913 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.996 -6.547 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.757 -8.371 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 179 3.474 -7.944 -6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.821 -8.324 -5.119 1.00 0.00 H new ATOM 970 N ILE A 180 4.300 -4.091 -2.722 1.00 0.00 N ATOM 971 CA ILE A 180 5.164 -3.132 -2.052 1.00 0.00 C ATOM 972 C ILE A 180 5.862 -3.787 -0.871 1.00 0.00 C ATOM 973 O ILE A 180 7.080 -3.697 -0.733 1.00 0.00 O ATOM 974 CB ILE A 180 4.368 -1.910 -1.553 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.698 -1.204 -2.733 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.282 -0.954 -0.794 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.753 -0.096 -2.322 1.00 0.00 C ATOM 0 H ILE A 180 3.328 -3.796 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 180 5.903 -2.794 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 180 3.591 -2.249 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.469 -0.790 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.148 -1.939 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.705 -0.096 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.716 -1.469 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.080 -0.612 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.316 0.358 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.960 -0.507 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.301 0.660 -1.761 1.00 0.00 H new ATOM 989 N ARG A 181 5.077 -4.458 -0.031 1.00 0.00 N ATOM 990 CA ARG A 181 5.608 -5.145 1.138 1.00 0.00 C ATOM 991 C ARG A 181 6.793 -6.016 0.747 1.00 0.00 C ATOM 992 O ARG A 181 7.796 -6.074 1.461 1.00 0.00 O ATOM 993 CB ARG A 181 4.519 -5.994 1.795 1.00 0.00 C ATOM 994 CG ARG A 181 4.978 -6.706 3.057 1.00 0.00 C ATOM 995 CD ARG A 181 3.851 -7.510 3.686 1.00 0.00 C ATOM 996 NE ARG A 181 4.274 -8.169 4.919 1.00 0.00 N ATOM 997 CZ ARG A 181 3.478 -8.934 5.659 1.00 0.00 C ATOM 998 NH1 ARG A 181 2.222 -9.144 5.290 1.00 0.00 N ATOM 999 NH2 ARG A 181 3.939 -9.490 6.771 1.00 0.00 N ATOM 0 H ARG A 181 4.066 -4.539 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 181 5.948 -4.398 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.669 -5.355 2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.166 -6.735 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 181 5.810 -7.369 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.348 -5.974 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 181 3.009 -6.851 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.499 -8.259 2.976 1.00 0.00 H new ATOM 0 HE ARG A 181 5.236 -8.034 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 181 1.863 -8.718 4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 181 1.614 -9.732 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 181 4.905 -9.331 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 181 3.328 -10.077 7.339 1.00 0.00 H new ATOM 1013 N MET A 182 6.678 -6.677 -0.401 1.00 0.00 N ATOM 1014 CA MET A 182 7.752 -7.526 -0.897 1.00 0.00 C ATOM 1015 C MET A 182 9.028 -6.709 -1.052 1.00 0.00 C ATOM 1016 O MET A 182 10.119 -7.168 -0.715 1.00 0.00 O ATOM 1017 CB MET A 182 7.369 -8.157 -2.238 1.00 0.00 C ATOM 1018 CG MET A 182 6.130 -9.032 -2.166 1.00 0.00 C ATOM 1019 SD MET A 182 6.316 -10.406 -1.014 1.00 0.00 S ATOM 1020 CE MET A 182 4.721 -11.203 -1.182 1.00 0.00 C ATOM 0 H MET A 182 5.855 -6.640 -1.002 1.00 0.00 H new ATOM 0 HA MET A 182 7.922 -8.326 -0.176 1.00 0.00 H new ATOM 0 HB2 MET A 182 7.203 -7.365 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 182 8.205 -8.755 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 182 5.277 -8.423 -1.865 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.908 -9.423 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 182 4.679 -12.075 -0.529 1.00 0.00 H new ATOM 0 HE2 MET A 182 3.933 -10.503 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 182 4.578 -11.517 -2.216 1.00 0.00 H new ATOM 1030 N GLN A 183 8.877 -5.486 -1.557 1.00 0.00 N ATOM 1031 CA GLN A 183 10.011 -4.595 -1.748 1.00 0.00 C ATOM 1032 C GLN A 183 10.615 -4.178 -0.405 1.00 0.00 C ATOM 1033 O GLN A 183 11.832 -4.037 -0.287 1.00 0.00 O ATOM 1034 CB GLN A 183 9.587 -3.359 -2.543 1.00 0.00 C ATOM 1035 CG GLN A 183 9.058 -3.679 -3.932 1.00 0.00 C ATOM 1036 CD GLN A 183 8.622 -2.445 -4.705 1.00 0.00 C ATOM 1037 OE1 GLN A 183 8.759 -1.272 -4.094 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 8.165 -2.547 -5.843 1.00 0.00 N flip ATOM 0 H GLN A 183 7.979 -5.093 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 183 10.773 -5.134 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.818 -2.825 -1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.440 -2.686 -2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.831 -4.200 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 183 8.213 -4.362 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 183 8.076 -3.466 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 183 7.875 -1.713 -6.353 1.00 0.00 H new ATOM 1047 N LEU A 184 9.764 -3.974 0.605 1.00 0.00 N ATOM 1048 CA LEU A 184 10.243 -3.567 1.928 1.00 0.00 C ATOM 1049 C LEU A 184 11.172 -4.618 2.528 1.00 0.00 C ATOM 1050 O LEU A 184 12.312 -4.321 2.881 1.00 0.00 O ATOM 1051 CB LEU A 184 9.082 -3.311 2.900 1.00 0.00 C ATOM 1052 CG LEU A 184 8.309 -2.003 2.696 1.00 0.00 C ATOM 1053 CD1 LEU A 184 7.310 -2.136 1.570 1.00 0.00 C ATOM 1054 CD2 LEU A 184 7.613 -1.588 3.983 1.00 0.00 C ATOM 0 H LEU A 184 8.752 -4.082 0.533 1.00 0.00 H new ATOM 0 HA LEU A 184 10.794 -2.637 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.379 -4.141 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.476 -3.322 3.916 1.00 0.00 H new ATOM 0 HG LEU A 184 9.023 -1.226 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 184 6.775 -1.195 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 184 7.834 -2.381 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 184 6.600 -2.929 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.069 -0.658 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 184 6.914 -2.368 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 184 8.356 -1.441 4.767 1.00 0.00 H new ATOM 1066 N ARG A 185 10.672 -5.844 2.652 1.00 0.00 N ATOM 1067 CA ARG A 185 11.452 -6.935 3.227 1.00 0.00 C ATOM 1068 C ARG A 185 12.718 -7.210 2.422 1.00 0.00 C ATOM 1069 O ARG A 185 13.787 -7.417 2.992 1.00 0.00 O ATOM 1070 CB ARG A 185 10.601 -8.202 3.327 1.00 0.00 C ATOM 1071 CG ARG A 185 9.996 -8.644 2.005 1.00 0.00 C ATOM 1072 CD ARG A 185 9.161 -9.903 2.173 1.00 0.00 C ATOM 1073 NE ARG A 185 8.085 -9.719 3.145 1.00 0.00 N ATOM 1074 CZ ARG A 185 7.231 -10.678 3.492 1.00 0.00 C ATOM 1075 NH1 ARG A 185 7.325 -11.885 2.951 1.00 0.00 N ATOM 1076 NH2 ARG A 185 6.283 -10.430 4.385 1.00 0.00 N ATOM 0 H ARG A 185 9.730 -6.107 2.362 1.00 0.00 H new ATOM 0 HA ARG A 185 11.757 -6.630 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.216 -9.011 3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 185 9.798 -8.033 4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.375 -7.844 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 185 10.791 -8.826 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.736 -10.187 1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 185 9.803 -10.724 2.493 1.00 0.00 H new ATOM 0 HE ARG A 185 7.983 -8.803 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 185 8.054 -12.081 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 185 6.668 -12.617 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 185 6.209 -9.504 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 185 5.628 -11.165 4.651 1.00 0.00 H new ATOM 1090 N ARG A 186 12.595 -7.217 1.100 1.00 0.00 N ATOM 1091 CA ARG A 186 13.739 -7.474 0.231 1.00 0.00 C ATOM 1092 C ARG A 186 14.834 -6.432 0.446 1.00 0.00 C ATOM 1093 O ARG A 186 16.015 -6.769 0.545 1.00 0.00 O ATOM 1094 CB ARG A 186 13.299 -7.479 -1.235 1.00 0.00 C ATOM 1095 CG ARG A 186 14.436 -7.710 -2.217 1.00 0.00 C ATOM 1096 CD ARG A 186 15.123 -9.047 -1.982 1.00 0.00 C ATOM 1097 NE ARG A 186 14.196 -10.171 -2.093 1.00 0.00 N ATOM 1098 CZ ARG A 186 13.556 -10.497 -3.214 1.00 0.00 C ATOM 1099 NH1 ARG A 186 13.751 -9.799 -4.324 1.00 0.00 N ATOM 1100 NH2 ARG A 186 12.723 -11.529 -3.225 1.00 0.00 N ATOM 0 H ARG A 186 11.718 -7.048 0.607 1.00 0.00 H new ATOM 0 HA ARG A 186 14.145 -8.453 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.547 -8.255 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.821 -6.526 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 186 14.049 -7.674 -3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.165 -6.905 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 186 15.930 -9.171 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 186 15.579 -9.050 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 186 14.029 -10.739 -1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 186 14.394 -9.007 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 186 13.258 -10.054 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 186 12.573 -12.072 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 186 12.232 -11.779 -4.084 1.00 0.00 H new ATOM 1114 N ALA A 187 14.433 -5.168 0.515 1.00 0.00 N ATOM 1115 CA ALA A 187 15.376 -4.073 0.714 1.00 0.00 C ATOM 1116 C ALA A 187 16.068 -4.171 2.071 1.00 0.00 C ATOM 1117 O ALA A 187 17.278 -3.971 2.175 1.00 0.00 O ATOM 1118 CB ALA A 187 14.663 -2.736 0.582 1.00 0.00 C ATOM 0 H ALA A 187 13.459 -4.875 0.436 1.00 0.00 H new ATOM 0 HA ALA A 187 16.143 -4.147 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.377 -1.926 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.226 -2.654 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.875 -2.668 1.332 1.00 0.00 H new