USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 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 Set 1.1: A 148 MET CE :methyl 167:sc= -0.498 (180deg=-0.93) USER MOD Set 1.2: A 152 TYR OH : rot 180:sc= -0.0278 USER MOD Set 2.1: A 133 LYS NZ :NH3+ -171:sc= -0.0614 (180deg=-0.2) USER MOD Set 2.2: A 134 GLN : amide:sc= -0.129 X(o=-0.19,f=-0.028) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -177:sc= -2.45! (180deg=-2.49!) USER MOD Single : A 143 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.13 F(o=-2.2!,f=-0.13) USER MOD Single : A 150 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 151 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 70:sc= 0.0107 USER MOD Single : A 167 GLN :FLIP amide:sc= -0.0617 F(o=-1.5,f=-0.062) USER MOD Single : A 168 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2!) USER MOD Single : A 169 MET CE :methyl -158:sc= -0.274 (180deg=-1.08) USER MOD Single : A 171 GLN : amide:sc= -0.1 K(o=-0.1,f=-2.4!) USER MOD Single : A 173 SER OG : rot -28:sc= 1.1 USER MOD Single : A 174 LYS NZ :NH3+ 166:sc= -0.0526 (180deg=-0.296) USER MOD Single : A 175 THR OG1 : rot 73:sc= 0.6 USER MOD Single : A 176 LYS NZ :NH3+ 166:sc= -0.0367 (180deg=-0.329) USER MOD Single : A 182 MET CE :methyl 175:sc= 0 (180deg=-0.0358) USER MOD Single : A 183 GLN :FLIP amide:sc= -0.418 F(o=-2.7!,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.147 5.177 -1.331 1.00 0.00 N ATOM 112 CA ARG A 127 14.309 3.983 -1.388 1.00 0.00 C ATOM 113 C ARG A 127 13.347 3.915 -0.203 1.00 0.00 C ATOM 114 O ARG A 127 12.164 3.620 -0.374 1.00 0.00 O ATOM 115 CB ARG A 127 15.181 2.726 -1.428 1.00 0.00 C ATOM 116 CG ARG A 127 14.385 1.435 -1.526 1.00 0.00 C ATOM 117 CD ARG A 127 15.297 0.225 -1.656 1.00 0.00 C ATOM 118 NE ARG A 127 16.139 0.303 -2.848 1.00 0.00 N ATOM 119 CZ ARG A 127 17.009 -0.638 -3.200 1.00 0.00 C ATOM 120 NH1 ARG A 127 17.146 -1.730 -2.460 1.00 0.00 N ATOM 121 NH2 ARG A 127 17.740 -0.490 -4.297 1.00 0.00 N ATOM 0 HA ARG A 127 13.714 4.038 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.858 2.791 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.799 2.694 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.758 1.325 -0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.717 1.483 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.928 0.149 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.694 -0.682 -1.696 1.00 0.00 H new ATOM 0 HE ARG A 127 16.054 1.127 -3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.583 -1.849 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 127 17.815 -2.450 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.635 0.347 -4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.407 -1.213 -4.566 1.00 0.00 H new ATOM 135 N VAL A 128 13.858 4.184 0.994 1.00 0.00 N ATOM 136 CA VAL A 128 13.038 4.145 2.204 1.00 0.00 C ATOM 137 C VAL A 128 11.900 5.158 2.146 1.00 0.00 C ATOM 138 O VAL A 128 10.753 4.829 2.439 1.00 0.00 O ATOM 139 CB VAL A 128 13.880 4.417 3.466 1.00 0.00 C ATOM 140 CG1 VAL A 128 12.983 4.575 4.687 1.00 0.00 C ATOM 141 CG2 VAL A 128 14.893 3.303 3.679 1.00 0.00 C ATOM 0 H VAL A 128 14.835 4.431 1.154 1.00 0.00 H new ATOM 0 HA VAL A 128 12.620 3.140 2.258 1.00 0.00 H new ATOM 0 HB VAL A 128 14.424 5.351 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.597 4.766 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.301 5.411 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.408 3.661 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.479 3.511 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.370 2.354 3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.557 3.245 2.816 1.00 0.00 H new ATOM 151 N ALA A 129 12.228 6.390 1.782 1.00 0.00 N ATOM 152 CA ALA A 129 11.236 7.453 1.702 1.00 0.00 C ATOM 153 C ALA A 129 10.134 7.118 0.700 1.00 0.00 C ATOM 154 O ALA A 129 8.953 7.326 0.974 1.00 0.00 O ATOM 155 CB ALA A 129 11.908 8.765 1.339 1.00 0.00 C ATOM 0 H ALA A 129 13.175 6.678 1.537 1.00 0.00 H new ATOM 0 HA ALA A 129 10.768 7.552 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.158 9.554 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.645 9.019 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.404 8.665 0.374 1.00 0.00 H new ATOM 161 N GLY A 130 10.528 6.603 -0.462 1.00 0.00 N ATOM 162 CA GLY A 130 9.557 6.253 -1.484 1.00 0.00 C ATOM 163 C GLY A 130 8.635 5.125 -1.061 1.00 0.00 C ATOM 164 O GLY A 130 7.418 5.222 -1.206 1.00 0.00 O ATOM 0 H GLY A 130 11.500 6.422 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.960 7.132 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.083 5.964 -2.394 1.00 0.00 H new ATOM 168 N LEU A 131 9.215 4.050 -0.541 1.00 0.00 N ATOM 169 CA LEU A 131 8.440 2.894 -0.101 1.00 0.00 C ATOM 170 C LEU A 131 7.536 3.248 1.079 1.00 0.00 C ATOM 171 O LEU A 131 6.386 2.813 1.148 1.00 0.00 O ATOM 172 CB LEU A 131 9.379 1.752 0.294 1.00 0.00 C ATOM 173 CG LEU A 131 10.287 1.234 -0.825 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.253 0.193 -0.284 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.461 0.649 -1.961 1.00 0.00 C ATOM 0 H LEU A 131 10.222 3.954 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 131 7.810 2.578 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.005 2.088 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.778 0.922 0.666 1.00 0.00 H new ATOM 0 HG LEU A 131 10.862 2.074 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 131 11.891 -0.165 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.870 0.640 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.691 -0.643 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.126 0.287 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 131 8.859 -0.178 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.805 1.419 -2.368 1.00 0.00 H new ATOM 187 N GLU A 132 8.074 4.025 2.011 1.00 0.00 N ATOM 188 CA GLU A 132 7.338 4.430 3.204 1.00 0.00 C ATOM 189 C GLU A 132 6.089 5.239 2.855 1.00 0.00 C ATOM 190 O GLU A 132 4.991 4.938 3.328 1.00 0.00 O ATOM 191 CB GLU A 132 8.254 5.246 4.120 1.00 0.00 C ATOM 192 CG GLU A 132 7.616 5.641 5.440 1.00 0.00 C ATOM 193 CD GLU A 132 7.135 4.444 6.237 1.00 0.00 C ATOM 194 OE1 GLU A 132 7.973 3.584 6.580 1.00 0.00 O ATOM 195 OE2 GLU A 132 5.921 4.368 6.519 1.00 0.00 O ATOM 0 H GLU A 132 9.025 4.390 1.963 1.00 0.00 H new ATOM 0 HA GLU A 132 7.009 3.527 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.156 4.668 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 132 8.565 6.149 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.337 6.202 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.775 6.307 5.248 1.00 0.00 H new ATOM 202 N LYS A 133 6.259 6.271 2.032 1.00 0.00 N ATOM 203 CA LYS A 133 5.139 7.121 1.638 1.00 0.00 C ATOM 204 C LYS A 133 4.053 6.313 0.933 1.00 0.00 C ATOM 205 O LYS A 133 2.862 6.544 1.146 1.00 0.00 O ATOM 206 CB LYS A 133 5.616 8.268 0.742 1.00 0.00 C ATOM 207 CG LYS A 133 6.293 7.814 -0.540 1.00 0.00 C ATOM 208 CD LYS A 133 6.780 8.996 -1.366 1.00 0.00 C ATOM 209 CE LYS A 133 5.625 9.867 -1.839 1.00 0.00 C ATOM 210 NZ LYS A 133 4.685 9.113 -2.716 1.00 0.00 N ATOM 0 H LYS A 133 7.156 6.538 1.627 1.00 0.00 H new ATOM 0 HA LYS A 133 4.710 7.545 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.761 8.895 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.311 8.891 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.136 7.167 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.595 7.220 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.469 9.596 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.338 8.632 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 133 5.085 10.254 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.017 10.727 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.001 9.772 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 5.220 8.637 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 4.177 8.403 -2.151 1.00 0.00 H new ATOM 224 N GLN A 134 4.464 5.363 0.097 1.00 0.00 N ATOM 225 CA GLN A 134 3.515 4.524 -0.627 1.00 0.00 C ATOM 226 C GLN A 134 2.600 3.777 0.337 1.00 0.00 C ATOM 227 O GLN A 134 1.389 3.706 0.127 1.00 0.00 O ATOM 228 CB GLN A 134 4.252 3.522 -1.519 1.00 0.00 C ATOM 229 CG GLN A 134 5.036 4.169 -2.648 1.00 0.00 C ATOM 230 CD GLN A 134 4.150 4.937 -3.610 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.255 4.370 -4.236 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.398 6.236 -3.731 1.00 0.00 N ATOM 0 H GLN A 134 5.444 5.156 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 134 2.906 5.177 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.935 2.936 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.528 2.826 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.780 4.845 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.579 3.399 -3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.151 6.664 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.836 6.806 -4.363 1.00 0.00 H new ATOM 241 N LEU A 135 3.186 3.218 1.393 1.00 0.00 N ATOM 242 CA LEU A 135 2.427 2.474 2.388 1.00 0.00 C ATOM 243 C LEU A 135 1.349 3.343 3.026 1.00 0.00 C ATOM 244 O LEU A 135 0.212 2.908 3.205 1.00 0.00 O ATOM 245 CB LEU A 135 3.366 1.931 3.467 1.00 0.00 C ATOM 246 CG LEU A 135 4.404 0.918 2.980 1.00 0.00 C ATOM 247 CD1 LEU A 135 5.342 0.533 4.113 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.719 -0.319 2.414 1.00 0.00 C ATOM 0 H LEU A 135 4.188 3.268 1.580 1.00 0.00 H new ATOM 0 HA LEU A 135 1.936 1.642 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.889 2.770 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.765 1.464 4.247 1.00 0.00 H new ATOM 0 HG LEU A 135 4.991 1.381 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.074 -0.188 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.858 1.422 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.768 0.089 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.473 -1.028 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 135 3.108 -0.783 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.085 -0.032 1.575 1.00 0.00 H new ATOM 260 N ALA A 136 1.717 4.572 3.369 1.00 0.00 N ATOM 261 CA ALA A 136 0.784 5.506 3.993 1.00 0.00 C ATOM 262 C ALA A 136 -0.426 5.767 3.099 1.00 0.00 C ATOM 263 O ALA A 136 -1.571 5.720 3.554 1.00 0.00 O ATOM 264 CB ALA A 136 1.488 6.813 4.320 1.00 0.00 C ATOM 0 H ALA A 136 2.655 4.946 3.226 1.00 0.00 H new ATOM 0 HA ALA A 136 0.425 5.053 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.781 7.501 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.312 6.620 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.876 7.257 3.403 1.00 0.00 H new ATOM 270 N ILE A 137 -0.164 6.046 1.826 1.00 0.00 N ATOM 271 CA ILE A 137 -1.227 6.321 0.865 1.00 0.00 C ATOM 272 C ILE A 137 -2.191 5.144 0.751 1.00 0.00 C ATOM 273 O ILE A 137 -3.407 5.331 0.693 1.00 0.00 O ATOM 274 CB ILE A 137 -0.650 6.639 -0.529 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.293 7.844 -0.448 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.774 6.901 -1.523 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.959 8.187 -1.764 1.00 0.00 C ATOM 0 H ILE A 137 0.777 6.088 1.435 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.770 7.191 1.235 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.081 5.777 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.269 8.710 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.063 7.642 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.349 7.124 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.409 6.018 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.369 7.749 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.611 9.050 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.549 7.337 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.197 8.422 -2.507 1.00 0.00 H new ATOM 289 N GLU A 138 -1.642 3.935 0.714 1.00 0.00 N ATOM 290 CA GLU A 138 -2.453 2.728 0.602 1.00 0.00 C ATOM 291 C GLU A 138 -3.416 2.597 1.775 1.00 0.00 C ATOM 292 O GLU A 138 -4.582 2.252 1.595 1.00 0.00 O ATOM 293 CB GLU A 138 -1.559 1.491 0.529 1.00 0.00 C ATOM 294 CG GLU A 138 -0.608 1.487 -0.655 1.00 0.00 C ATOM 295 CD GLU A 138 -1.327 1.511 -1.992 1.00 0.00 C ATOM 296 OE1 GLU A 138 -2.038 2.500 -2.271 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.179 0.539 -2.760 1.00 0.00 O ATOM 0 H GLU A 138 -0.637 3.764 0.760 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.037 2.806 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.978 1.420 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.188 0.602 0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.051 2.352 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 138 0.024 0.600 -0.604 1.00 0.00 H new ATOM 304 N LEU A 139 -2.921 2.866 2.977 1.00 0.00 N ATOM 305 CA LEU A 139 -3.739 2.769 4.181 1.00 0.00 C ATOM 306 C LEU A 139 -4.954 3.686 4.093 1.00 0.00 C ATOM 307 O LEU A 139 -6.062 3.298 4.462 1.00 0.00 O ATOM 308 CB LEU A 139 -2.909 3.119 5.417 1.00 0.00 C ATOM 309 CG LEU A 139 -1.681 2.236 5.639 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.891 2.716 6.845 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.090 0.780 5.815 1.00 0.00 C ATOM 0 H LEU A 139 -1.957 3.153 3.145 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.091 1.741 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.583 4.156 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.549 3.054 6.297 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.044 2.308 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.020 2.076 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.563 3.742 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.522 2.674 7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.201 0.169 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.750 0.689 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.612 0.438 4.921 1.00 0.00 H new ATOM 323 N LYS A 140 -4.740 4.904 3.611 1.00 0.00 N ATOM 324 CA LYS A 140 -5.821 5.876 3.484 1.00 0.00 C ATOM 325 C LYS A 140 -6.931 5.363 2.567 1.00 0.00 C ATOM 326 O LYS A 140 -8.112 5.432 2.913 1.00 0.00 O ATOM 327 CB LYS A 140 -5.275 7.201 2.949 1.00 0.00 C ATOM 328 CG LYS A 140 -6.342 8.269 2.765 1.00 0.00 C ATOM 329 CD LYS A 140 -5.753 9.564 2.228 1.00 0.00 C ATOM 330 CE LYS A 140 -4.777 10.188 3.214 1.00 0.00 C ATOM 331 NZ LYS A 140 -4.207 11.464 2.698 1.00 0.00 N ATOM 0 H LYS A 140 -3.829 5.243 3.302 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.248 6.032 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.514 7.574 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.783 7.022 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.107 7.905 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.834 8.461 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.243 9.368 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -6.557 10.269 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -5.285 10.374 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.969 9.486 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -3.547 11.858 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.700 11.283 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -4.976 12.143 2.526 1.00 0.00 H new ATOM 345 N VAL A 141 -6.550 4.859 1.397 1.00 0.00 N ATOM 346 CA VAL A 141 -7.519 4.349 0.430 1.00 0.00 C ATOM 347 C VAL A 141 -8.194 3.070 0.923 1.00 0.00 C ATOM 348 O VAL A 141 -9.415 2.930 0.833 1.00 0.00 O ATOM 349 CB VAL A 141 -6.859 4.074 -0.935 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.884 3.552 -1.932 1.00 0.00 C ATOM 351 CG2 VAL A 141 -6.183 5.331 -1.462 1.00 0.00 C ATOM 0 H VAL A 141 -5.578 4.792 1.095 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.276 5.125 0.315 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.097 3.307 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.398 3.364 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.317 2.625 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.672 4.293 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.722 5.119 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.925 6.121 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.417 5.655 -0.757 1.00 0.00 H new ATOM 361 N LYS A 142 -7.396 2.136 1.431 1.00 0.00 N ATOM 362 CA LYS A 142 -7.921 0.865 1.924 1.00 0.00 C ATOM 363 C LYS A 142 -8.930 1.078 3.047 1.00 0.00 C ATOM 364 O LYS A 142 -10.027 0.521 3.019 1.00 0.00 O ATOM 365 CB LYS A 142 -6.777 -0.033 2.403 1.00 0.00 C ATOM 366 CG LYS A 142 -7.246 -1.339 3.027 1.00 0.00 C ATOM 367 CD LYS A 142 -6.085 -2.285 3.289 1.00 0.00 C ATOM 368 CE LYS A 142 -5.496 -2.817 1.993 1.00 0.00 C ATOM 369 NZ LYS A 142 -4.387 -3.779 2.241 1.00 0.00 N ATOM 0 H LYS A 142 -6.384 2.234 1.513 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.437 0.374 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.125 -0.257 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.178 0.513 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.764 -1.130 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.966 -1.821 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.312 -1.765 3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.425 -3.118 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.278 -3.306 1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.127 -1.985 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -3.979 -4.080 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -3.652 -3.321 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -4.755 -4.610 2.747 1.00 0.00 H new ATOM 383 N GLN A 143 -8.558 1.890 4.033 1.00 0.00 N ATOM 384 CA GLN A 143 -9.428 2.177 5.153 1.00 0.00 C ATOM 385 C GLN A 143 -10.689 2.896 4.688 1.00 0.00 C ATOM 386 O GLN A 143 -11.793 2.587 5.137 1.00 0.00 O ATOM 387 CB GLN A 143 -8.676 3.024 6.173 1.00 0.00 C ATOM 388 CG GLN A 143 -7.534 2.289 6.862 1.00 0.00 C ATOM 389 CD GLN A 143 -8.005 1.089 7.665 1.00 0.00 C ATOM 390 OE1 GLN A 143 -8.571 0.142 7.118 1.00 0.00 O ATOM 391 NE2 GLN A 143 -7.770 1.124 8.972 1.00 0.00 N ATOM 0 H GLN A 143 -7.653 2.360 4.072 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.731 1.238 5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -8.278 3.908 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -9.379 3.374 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.816 1.959 6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -7.010 2.980 7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -7.298 1.929 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.062 0.346 9.564 1.00 0.00 H new ATOM 400 N GLY A 144 -10.517 3.852 3.779 1.00 0.00 N ATOM 401 CA GLY A 144 -11.650 4.593 3.258 1.00 0.00 C ATOM 402 C GLY A 144 -12.656 3.686 2.579 1.00 0.00 C ATOM 403 O GLY A 144 -13.866 3.869 2.718 1.00 0.00 O ATOM 0 H GLY A 144 -9.613 4.126 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.137 5.130 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.298 5.341 2.547 1.00 0.00 H new ATOM 407 N ALA A 145 -12.149 2.694 1.853 1.00 0.00 N ATOM 408 CA ALA A 145 -13.001 1.741 1.159 1.00 0.00 C ATOM 409 C ALA A 145 -13.798 0.929 2.167 1.00 0.00 C ATOM 410 O ALA A 145 -14.980 0.656 1.970 1.00 0.00 O ATOM 411 CB ALA A 145 -12.167 0.829 0.274 1.00 0.00 C ATOM 0 H ALA A 145 -11.149 2.531 1.731 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.697 2.287 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.820 0.122 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.631 1.427 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.451 0.282 0.887 1.00 0.00 H new ATOM 417 N GLU A 146 -13.134 0.561 3.259 1.00 0.00 N ATOM 418 CA GLU A 146 -13.770 -0.208 4.321 1.00 0.00 C ATOM 419 C GLU A 146 -14.953 0.560 4.895 1.00 0.00 C ATOM 420 O GLU A 146 -15.998 -0.019 5.193 1.00 0.00 O ATOM 421 CB GLU A 146 -12.760 -0.522 5.427 1.00 0.00 C ATOM 422 CG GLU A 146 -11.626 -1.426 4.972 1.00 0.00 C ATOM 423 CD GLU A 146 -12.112 -2.799 4.555 1.00 0.00 C ATOM 424 OE1 GLU A 146 -12.686 -3.510 5.406 1.00 0.00 O ATOM 425 OE2 GLU A 146 -11.921 -3.162 3.377 1.00 0.00 O ATOM 0 H GLU A 146 -12.154 0.784 3.431 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.132 -1.146 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.342 0.412 5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.280 -0.996 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.106 -0.959 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -10.902 -1.530 5.780 1.00 0.00 H new ATOM 432 N ASN A 147 -14.781 1.870 5.035 1.00 0.00 N ATOM 433 CA ASN A 147 -15.836 2.726 5.558 1.00 0.00 C ATOM 434 C ASN A 147 -17.065 2.657 4.659 1.00 0.00 C ATOM 435 O ASN A 147 -18.193 2.549 5.139 1.00 0.00 O ATOM 436 CB ASN A 147 -15.346 4.173 5.662 1.00 0.00 C ATOM 437 CG ASN A 147 -14.157 4.331 6.598 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.724 3.236 7.215 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -13.633 5.433 6.764 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.920 2.361 4.793 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.105 2.374 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -15.070 4.530 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -16.163 4.804 6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -13.995 6.249 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -12.837 5.529 7.394 1.00 0.00 H new ATOM 446 N MET A 148 -16.834 2.713 3.350 1.00 0.00 N ATOM 447 CA MET A 148 -17.917 2.652 2.377 1.00 0.00 C ATOM 448 C MET A 148 -18.589 1.281 2.383 1.00 0.00 C ATOM 449 O MET A 148 -19.809 1.179 2.290 1.00 0.00 O ATOM 450 CB MET A 148 -17.396 2.963 0.972 1.00 0.00 C ATOM 451 CG MET A 148 -16.816 4.360 0.831 1.00 0.00 C ATOM 452 SD MET A 148 -16.340 4.747 -0.866 1.00 0.00 S ATOM 453 CE MET A 148 -17.918 4.603 -1.705 1.00 0.00 C ATOM 0 H MET A 148 -15.904 2.801 2.940 1.00 0.00 H new ATOM 0 HA MET A 148 -18.656 3.402 2.660 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.631 2.233 0.708 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.210 2.843 0.257 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.549 5.090 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.945 4.455 1.479 1.00 0.00 H new ATOM 0 HE1 MET A 148 -17.839 5.032 -2.704 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.194 3.551 -1.782 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.681 5.138 -1.139 1.00 0.00 H new ATOM 463 N ILE A 149 -17.786 0.227 2.480 1.00 0.00 N ATOM 464 CA ILE A 149 -18.310 -1.135 2.483 1.00 0.00 C ATOM 465 C ILE A 149 -19.246 -1.376 3.664 1.00 0.00 C ATOM 466 O ILE A 149 -20.349 -1.897 3.495 1.00 0.00 O ATOM 467 CB ILE A 149 -17.170 -2.174 2.525 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.270 -2.026 1.295 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.742 -3.584 2.606 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.065 -2.942 1.311 1.00 0.00 C ATOM 0 H ILE A 149 -16.771 0.289 2.558 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.872 -1.253 1.556 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.567 -1.996 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.857 -2.228 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.929 -0.993 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -16.926 -4.306 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.345 -3.681 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.365 -3.775 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.474 -2.782 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.455 -2.725 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.397 -3.980 1.347 1.00 0.00 H new ATOM 482 N GLN A 150 -18.799 -1.007 4.860 1.00 0.00 N ATOM 483 CA GLN A 150 -19.595 -1.199 6.070 1.00 0.00 C ATOM 484 C GLN A 150 -20.817 -0.286 6.096 1.00 0.00 C ATOM 485 O GLN A 150 -21.915 -0.716 6.447 1.00 0.00 O ATOM 486 CB GLN A 150 -18.741 -0.955 7.313 1.00 0.00 C ATOM 487 CG GLN A 150 -17.554 -1.895 7.427 1.00 0.00 C ATOM 488 CD GLN A 150 -17.966 -3.353 7.459 1.00 0.00 C ATOM 489 OE1 GLN A 150 -18.703 -3.783 8.346 1.00 0.00 O ATOM 490 NE2 GLN A 150 -17.491 -4.123 6.486 1.00 0.00 N ATOM 0 H GLN A 150 -17.890 -0.573 5.019 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.946 -2.231 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.380 0.073 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.366 -1.062 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -16.882 -1.730 6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.994 -1.659 8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -16.883 -3.724 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -17.735 -5.113 6.454 1.00 0.00 H new ATOM 499 N THR A 151 -20.622 0.976 5.736 1.00 0.00 N ATOM 500 CA THR A 151 -21.712 1.944 5.733 1.00 0.00 C ATOM 501 C THR A 151 -22.781 1.578 4.707 1.00 0.00 C ATOM 502 O THR A 151 -23.975 1.599 5.007 1.00 0.00 O ATOM 503 CB THR A 151 -21.197 3.366 5.436 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.245 3.759 6.432 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.344 4.366 5.408 1.00 0.00 C ATOM 0 H THR A 151 -19.721 1.353 5.443 1.00 0.00 H new ATOM 0 HA THR A 151 -22.153 1.922 6.730 1.00 0.00 H new ATOM 0 HB THR A 151 -20.720 3.356 4.456 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.358 3.422 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.954 5.362 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.055 4.083 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.846 4.371 6.376 1.00 0.00 H new ATOM 513 N TYR A 152 -22.346 1.252 3.496 1.00 0.00 N ATOM 514 CA TYR A 152 -23.262 0.892 2.416 1.00 0.00 C ATOM 515 C TYR A 152 -23.833 -0.513 2.608 1.00 0.00 C ATOM 516 O TYR A 152 -24.490 -1.049 1.715 1.00 0.00 O ATOM 517 CB TYR A 152 -22.545 0.975 1.062 1.00 0.00 C ATOM 518 CG TYR A 152 -22.109 2.373 0.656 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.754 3.330 1.603 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.041 2.728 -0.686 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.345 4.594 1.224 1.00 0.00 C ATOM 522 CE2 TYR A 152 -21.634 3.991 -1.070 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.287 4.920 -0.113 1.00 0.00 C ATOM 524 OH TYR A 152 -20.880 6.178 -0.495 1.00 0.00 O ATOM 0 H TYR A 152 -21.360 1.229 3.235 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.089 1.602 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.667 0.330 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.206 0.578 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.799 3.080 2.653 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.311 2.004 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.072 5.323 1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -21.588 4.250 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.894 6.244 -1.473 1.00 0.00 H new ATOM 649 N LYS A 161 -24.933 -0.767 -5.555 1.00 0.00 N ATOM 650 CA LYS A 161 -24.129 -0.480 -6.741 1.00 0.00 C ATOM 651 C LYS A 161 -22.787 0.126 -6.341 1.00 0.00 C ATOM 652 O LYS A 161 -21.729 -0.340 -6.771 1.00 0.00 O ATOM 653 CB LYS A 161 -24.880 0.470 -7.677 1.00 0.00 C ATOM 654 CG LYS A 161 -24.124 0.793 -8.956 1.00 0.00 C ATOM 655 CD LYS A 161 -24.923 1.719 -9.859 1.00 0.00 C ATOM 656 CE LYS A 161 -24.159 2.056 -11.128 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.939 2.952 -12.026 1.00 0.00 N ATOM 0 HA LYS A 161 -23.945 -1.416 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -25.841 0.026 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -25.090 1.398 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -23.170 1.259 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.898 -0.131 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.871 1.247 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -25.160 2.637 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -23.216 2.536 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -23.913 1.136 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -24.382 3.158 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -25.828 2.484 -12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -25.152 3.841 -11.530 1.00 0.00 H new ATOM 671 N LEU A 162 -22.835 1.152 -5.498 1.00 0.00 N ATOM 672 CA LEU A 162 -21.620 1.799 -5.024 1.00 0.00 C ATOM 673 C LEU A 162 -20.833 0.843 -4.135 1.00 0.00 C ATOM 674 O LEU A 162 -19.603 0.856 -4.129 1.00 0.00 O ATOM 675 CB LEU A 162 -21.943 3.089 -4.264 1.00 0.00 C ATOM 676 CG LEU A 162 -22.419 4.266 -5.124 1.00 0.00 C ATOM 677 CD1 LEU A 162 -21.402 4.588 -6.211 1.00 0.00 C ATOM 678 CD2 LEU A 162 -23.781 3.974 -5.734 1.00 0.00 C ATOM 0 H LEU A 162 -23.699 1.551 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 162 -21.012 2.062 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.712 2.870 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.053 3.399 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 162 -22.515 5.139 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -21.761 5.426 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -20.449 4.852 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.267 3.717 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -24.098 4.823 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -23.716 3.085 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -24.507 3.804 -4.939 1.00 0.00 H new ATOM 690 N LEU A 163 -21.557 0.005 -3.393 1.00 0.00 N ATOM 691 CA LEU A 163 -20.933 -0.974 -2.507 1.00 0.00 C ATOM 692 C LEU A 163 -19.983 -1.871 -3.291 1.00 0.00 C ATOM 693 O LEU A 163 -18.862 -2.136 -2.856 1.00 0.00 O ATOM 694 CB LEU A 163 -22.006 -1.825 -1.816 1.00 0.00 C ATOM 695 CG LEU A 163 -21.479 -2.977 -0.954 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.627 -2.450 0.187 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.629 -3.811 -0.413 1.00 0.00 C ATOM 0 H LEU A 163 -22.577 -0.014 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.363 -0.438 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.614 -1.173 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.665 -2.238 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 163 -20.856 -3.613 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.264 -3.285 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.779 -1.897 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.226 -1.788 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.234 -4.624 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.279 -3.183 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.200 -4.225 -1.244 1.00 0.00 H new ATOM 709 N LEU A 164 -20.439 -2.328 -4.454 1.00 0.00 N ATOM 710 CA LEU A 164 -19.632 -3.187 -5.310 1.00 0.00 C ATOM 711 C LEU A 164 -18.395 -2.445 -5.801 1.00 0.00 C ATOM 712 O LEU A 164 -17.287 -2.983 -5.783 1.00 0.00 O ATOM 713 CB LEU A 164 -20.458 -3.674 -6.502 1.00 0.00 C ATOM 714 CG LEU A 164 -21.698 -4.496 -6.141 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.491 -4.839 -7.391 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.299 -5.764 -5.398 1.00 0.00 C ATOM 0 H LEU A 164 -21.365 -2.116 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.311 -4.049 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.772 -2.808 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.817 -4.276 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.330 -3.897 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.369 -5.423 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.807 -3.920 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.867 -5.420 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.193 -6.336 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.647 -6.366 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.772 -5.498 -4.482 1.00 0.00 H new ATOM 728 N THR A 165 -18.592 -1.201 -6.234 1.00 0.00 N ATOM 729 CA THR A 165 -17.494 -0.377 -6.726 1.00 0.00 C ATOM 730 C THR A 165 -16.425 -0.196 -5.652 1.00 0.00 C ATOM 731 O THR A 165 -15.230 -0.285 -5.933 1.00 0.00 O ATOM 732 CB THR A 165 -17.992 1.009 -7.180 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.984 0.863 -8.202 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.841 1.854 -7.707 1.00 0.00 C ATOM 0 H THR A 165 -19.503 -0.743 -6.253 1.00 0.00 H new ATOM 0 HA THR A 165 -17.063 -0.896 -7.582 1.00 0.00 H new ATOM 0 HB THR A 165 -18.428 1.512 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.803 0.492 -7.812 1.00 0.00 H new ATOM 0 HG21 THR A 165 -17.218 2.827 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 165 -16.099 1.989 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.381 1.352 -8.558 1.00 0.00 H new ATOM 742 N ALA A 166 -16.866 0.055 -4.424 1.00 0.00 N ATOM 743 CA ALA A 166 -15.952 0.246 -3.304 1.00 0.00 C ATOM 744 C ALA A 166 -15.100 -0.998 -3.080 1.00 0.00 C ATOM 745 O ALA A 166 -13.899 -0.902 -2.827 1.00 0.00 O ATOM 746 CB ALA A 166 -16.730 0.599 -2.044 1.00 0.00 C ATOM 0 H ALA A 166 -17.853 0.131 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.283 1.073 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.036 0.739 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.290 1.520 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.422 -0.209 -1.805 1.00 0.00 H new ATOM 752 N GLN A 167 -15.727 -2.166 -3.189 1.00 0.00 N ATOM 753 CA GLN A 167 -15.024 -3.430 -3.013 1.00 0.00 C ATOM 754 C GLN A 167 -13.892 -3.546 -4.024 1.00 0.00 C ATOM 755 O GLN A 167 -12.783 -3.961 -3.686 1.00 0.00 O ATOM 756 CB GLN A 167 -15.989 -4.604 -3.167 1.00 0.00 C ATOM 757 CG GLN A 167 -17.078 -4.633 -2.107 1.00 0.00 C ATOM 758 CD GLN A 167 -18.023 -5.804 -2.275 1.00 0.00 C ATOM 759 OE1 GLN A 167 -19.300 -5.507 -2.475 1.00 0.00 O flip ATOM 760 NE2 GLN A 167 -17.610 -6.962 -2.226 1.00 0.00 N flip ATOM 0 H GLN A 167 -16.721 -2.262 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.603 -3.456 -2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.453 -4.557 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.425 -5.536 -3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -16.618 -4.681 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.646 -3.704 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -16.619 -7.144 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -18.259 -7.740 -2.341 1.00 0.00 H new ATOM 769 N GLN A 168 -14.178 -3.158 -5.264 1.00 0.00 N ATOM 770 CA GLN A 168 -13.180 -3.199 -6.324 1.00 0.00 C ATOM 771 C GLN A 168 -11.994 -2.327 -5.937 1.00 0.00 C ATOM 772 O GLN A 168 -10.838 -2.699 -6.141 1.00 0.00 O ATOM 773 CB GLN A 168 -13.790 -2.723 -7.648 1.00 0.00 C ATOM 774 CG GLN A 168 -12.900 -2.946 -8.864 1.00 0.00 C ATOM 775 CD GLN A 168 -11.653 -2.079 -8.858 1.00 0.00 C ATOM 776 OE1 GLN A 168 -11.737 -0.852 -8.827 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.489 -2.717 -8.889 1.00 0.00 N ATOM 0 H GLN A 168 -15.092 -2.812 -5.557 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.838 -4.225 -6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.736 -3.240 -7.805 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.017 -1.660 -7.569 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.606 -3.995 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -13.473 -2.741 -9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.467 -3.736 -8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -9.617 -2.188 -8.888 1.00 0.00 H new ATOM 786 N MET A 169 -12.295 -1.165 -5.360 1.00 0.00 N ATOM 787 CA MET A 169 -11.261 -0.237 -4.921 1.00 0.00 C ATOM 788 C MET A 169 -10.308 -0.917 -3.950 1.00 0.00 C ATOM 789 O MET A 169 -9.088 -0.794 -4.066 1.00 0.00 O ATOM 790 CB MET A 169 -11.896 0.982 -4.253 1.00 0.00 C ATOM 791 CG MET A 169 -12.591 1.918 -5.226 1.00 0.00 C ATOM 792 SD MET A 169 -11.463 2.565 -6.473 1.00 0.00 S ATOM 793 CE MET A 169 -10.124 3.141 -5.431 1.00 0.00 C ATOM 0 H MET A 169 -13.248 -0.846 -5.187 1.00 0.00 H new ATOM 0 HA MET A 169 -10.697 0.087 -5.796 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.618 0.643 -3.510 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.124 1.536 -3.718 1.00 0.00 H new ATOM 0 HG2 MET A 169 -13.407 1.388 -5.717 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.035 2.747 -4.675 1.00 0.00 H new ATOM 0 HE1 MET A 169 -9.545 3.894 -5.965 1.00 0.00 H new ATOM 0 HE2 MET A 169 -10.534 3.577 -4.520 1.00 0.00 H new ATOM 0 HE3 MET A 169 -9.477 2.302 -5.173 1.00 0.00 H new ATOM 803 N LEU A 170 -10.877 -1.637 -2.992 1.00 0.00 N ATOM 804 CA LEU A 170 -10.087 -2.346 -1.991 1.00 0.00 C ATOM 805 C LEU A 170 -9.130 -3.337 -2.649 1.00 0.00 C ATOM 806 O LEU A 170 -7.963 -3.424 -2.275 1.00 0.00 O ATOM 807 CB LEU A 170 -11.006 -3.087 -1.018 1.00 0.00 C ATOM 808 CG LEU A 170 -10.288 -3.866 0.085 1.00 0.00 C ATOM 809 CD1 LEU A 170 -9.550 -2.917 1.017 1.00 0.00 C ATOM 810 CD2 LEU A 170 -11.272 -4.722 0.863 1.00 0.00 C ATOM 0 H LEU A 170 -11.886 -1.746 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.500 -1.609 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -11.677 -2.364 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -11.628 -3.780 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 170 -9.556 -4.525 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.046 -3.490 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -8.813 -2.349 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.262 -2.231 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.742 -5.268 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.029 -4.084 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -11.752 -5.430 0.187 1.00 0.00 H new ATOM 822 N GLN A 171 -9.636 -4.084 -3.624 1.00 0.00 N ATOM 823 CA GLN A 171 -8.830 -5.076 -4.329 1.00 0.00 C ATOM 824 C GLN A 171 -7.612 -4.436 -4.989 1.00 0.00 C ATOM 825 O GLN A 171 -6.506 -4.974 -4.925 1.00 0.00 O ATOM 826 CB GLN A 171 -9.676 -5.790 -5.384 1.00 0.00 C ATOM 827 CG GLN A 171 -10.873 -6.528 -4.806 1.00 0.00 C ATOM 828 CD GLN A 171 -11.696 -7.226 -5.870 1.00 0.00 C ATOM 829 OE1 GLN A 171 -12.213 -6.590 -6.788 1.00 0.00 O ATOM 830 NE2 GLN A 171 -11.823 -8.542 -5.750 1.00 0.00 N ATOM 0 H GLN A 171 -10.602 -4.022 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 171 -8.478 -5.801 -3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.027 -5.059 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -9.048 -6.499 -5.923 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -10.526 -7.263 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -11.505 -5.822 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -11.377 -9.029 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -12.367 -9.066 -6.435 1.00 0.00 H new ATOM 839 N ASP A 172 -7.822 -3.290 -5.628 1.00 0.00 N ATOM 840 CA ASP A 172 -6.742 -2.580 -6.307 1.00 0.00 C ATOM 841 C ASP A 172 -5.638 -2.186 -5.329 1.00 0.00 C ATOM 842 O ASP A 172 -4.453 -2.388 -5.599 1.00 0.00 O ATOM 843 CB ASP A 172 -7.290 -1.334 -7.009 1.00 0.00 C ATOM 844 CG ASP A 172 -6.225 -0.590 -7.793 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.262 -0.094 -7.172 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.354 -0.505 -9.033 1.00 0.00 O ATOM 0 H ASP A 172 -8.731 -2.832 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.312 -3.252 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.095 -1.626 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.724 -0.664 -6.266 1.00 0.00 H new ATOM 851 N SER A 173 -6.033 -1.615 -4.195 1.00 0.00 N ATOM 852 CA SER A 173 -5.078 -1.183 -3.180 1.00 0.00 C ATOM 853 C SER A 173 -4.319 -2.367 -2.584 1.00 0.00 C ATOM 854 O SER A 173 -3.101 -2.310 -2.422 1.00 0.00 O ATOM 855 CB SER A 173 -5.798 -0.412 -2.072 1.00 0.00 C ATOM 856 OG SER A 173 -6.776 -1.219 -1.441 1.00 0.00 O ATOM 0 H SER A 173 -7.009 -1.441 -3.956 1.00 0.00 H new ATOM 0 HA SER A 173 -4.353 -0.528 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 173 -5.073 -0.069 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.271 0.476 -2.491 1.00 0.00 H new ATOM 0 HG SER A 173 -7.100 -1.894 -2.073 1.00 0.00 H new ATOM 862 N LYS A 174 -5.044 -3.431 -2.252 1.00 0.00 N ATOM 863 CA LYS A 174 -4.433 -4.622 -1.666 1.00 0.00 C ATOM 864 C LYS A 174 -3.344 -5.193 -2.569 1.00 0.00 C ATOM 865 O LYS A 174 -2.267 -5.559 -2.098 1.00 0.00 O ATOM 866 CB LYS A 174 -5.497 -5.688 -1.392 1.00 0.00 C ATOM 867 CG LYS A 174 -6.528 -5.265 -0.358 1.00 0.00 C ATOM 868 CD LYS A 174 -7.566 -6.352 -0.121 1.00 0.00 C ATOM 869 CE LYS A 174 -6.942 -7.609 0.465 1.00 0.00 C ATOM 870 NZ LYS A 174 -6.287 -7.343 1.775 1.00 0.00 N ATOM 0 H LYS A 174 -6.054 -3.494 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 174 -3.971 -4.326 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.007 -5.929 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.007 -6.600 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.027 -5.030 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.025 -4.354 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.336 -5.979 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.059 -6.595 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -7.711 -8.371 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.208 -8.010 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -6.085 -8.245 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -5.398 -6.826 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -6.920 -6.771 2.370 1.00 0.00 H new ATOM 884 N THR A 175 -3.629 -5.268 -3.865 1.00 0.00 N ATOM 885 CA THR A 175 -2.668 -5.797 -4.827 1.00 0.00 C ATOM 886 C THR A 175 -1.374 -4.985 -4.813 1.00 0.00 C ATOM 887 O THR A 175 -0.279 -5.541 -4.711 1.00 0.00 O ATOM 888 CB THR A 175 -3.246 -5.800 -6.254 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.446 -6.583 -6.293 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.241 -6.362 -7.248 1.00 0.00 C ATOM 0 H THR A 175 -4.515 -4.970 -4.273 1.00 0.00 H new ATOM 0 HA THR A 175 -2.453 -6.823 -4.530 1.00 0.00 H new ATOM 0 HB THR A 175 -3.470 -4.770 -6.531 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.170 -6.095 -5.848 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.674 -6.353 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.339 -5.751 -7.238 1.00 0.00 H new ATOM 0 HG23 THR A 175 -1.989 -7.386 -6.971 1.00 0.00 H new ATOM 898 N LYS A 176 -1.510 -3.666 -4.910 1.00 0.00 N ATOM 899 CA LYS A 176 -0.355 -2.777 -4.906 1.00 0.00 C ATOM 900 C LYS A 176 0.451 -2.939 -3.621 1.00 0.00 C ATOM 901 O LYS A 176 1.681 -2.972 -3.649 1.00 0.00 O ATOM 902 CB LYS A 176 -0.803 -1.324 -5.067 1.00 0.00 C ATOM 903 CG LYS A 176 -1.526 -1.052 -6.378 1.00 0.00 C ATOM 904 CD LYS A 176 -1.932 0.408 -6.505 1.00 0.00 C ATOM 905 CE LYS A 176 -0.720 1.325 -6.565 1.00 0.00 C ATOM 906 NZ LYS A 176 0.159 1.008 -7.724 1.00 0.00 N ATOM 0 H LYS A 176 -2.408 -3.190 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 176 0.284 -3.045 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.460 -1.061 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 176 0.069 -0.674 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -0.880 -1.324 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.412 -1.683 -6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -2.534 0.542 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -2.558 0.687 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -1.052 2.361 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -0.149 1.233 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 0.833 1.786 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 0.681 0.129 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -0.422 0.887 -8.578 1.00 0.00 H new ATOM 920 N ILE A 177 -0.251 -3.042 -2.495 1.00 0.00 N ATOM 921 CA ILE A 177 0.401 -3.205 -1.201 1.00 0.00 C ATOM 922 C ILE A 177 1.203 -4.500 -1.152 1.00 0.00 C ATOM 923 O ILE A 177 2.256 -4.563 -0.520 1.00 0.00 O ATOM 924 CB ILE A 177 -0.620 -3.189 -0.043 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.344 -1.842 -0.001 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.075 -3.471 1.284 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.349 -1.717 1.125 1.00 0.00 C ATOM 0 H ILE A 177 -1.270 -3.015 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 177 1.078 -2.359 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.357 -3.974 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.605 -1.047 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.857 -1.687 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.659 -3.456 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.551 -4.451 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.831 -2.708 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -2.819 -0.734 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.112 -2.488 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.841 -1.838 2.082 1.00 0.00 H new ATOM 939 N ASP A 178 0.699 -5.532 -1.820 1.00 0.00 N ATOM 940 CA ASP A 178 1.373 -6.825 -1.851 1.00 0.00 C ATOM 941 C ASP A 178 2.755 -6.697 -2.487 1.00 0.00 C ATOM 942 O ASP A 178 3.755 -7.142 -1.921 1.00 0.00 O ATOM 943 CB ASP A 178 0.532 -7.844 -2.623 1.00 0.00 C ATOM 944 CG ASP A 178 1.131 -9.238 -2.597 1.00 0.00 C ATOM 945 OD1 ASP A 178 2.183 -9.424 -1.949 1.00 0.00 O ATOM 946 OD2 ASP A 178 0.545 -10.147 -3.222 1.00 0.00 O ATOM 0 H ASP A 178 -0.174 -5.498 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 178 1.494 -7.172 -0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.472 -7.876 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.430 -7.516 -3.657 1.00 0.00 H new ATOM 951 N ILE A 179 2.805 -6.079 -3.665 1.00 0.00 N ATOM 952 CA ILE A 179 4.067 -5.887 -4.372 1.00 0.00 C ATOM 953 C ILE A 179 5.015 -5.006 -3.561 1.00 0.00 C ATOM 954 O ILE A 179 6.191 -5.332 -3.393 1.00 0.00 O ATOM 955 CB ILE A 179 3.848 -5.263 -5.770 1.00 0.00 C ATOM 956 CG1 ILE A 179 3.253 -6.290 -6.742 1.00 0.00 C ATOM 957 CG2 ILE A 179 5.157 -4.714 -6.323 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.884 -6.806 -6.351 1.00 0.00 C ATOM 0 H ILE A 179 1.989 -5.704 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 179 4.515 -6.872 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 179 3.141 -4.441 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.188 -5.839 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.937 -7.135 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.982 -4.279 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.543 -3.947 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 179 5.884 -5.522 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.541 -7.526 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.942 -7.290 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.182 -5.974 -6.301 1.00 0.00 H new ATOM 970 N ILE A 180 4.495 -3.891 -3.056 1.00 0.00 N ATOM 971 CA ILE A 180 5.295 -2.970 -2.259 1.00 0.00 C ATOM 972 C ILE A 180 5.872 -3.674 -1.037 1.00 0.00 C ATOM 973 O ILE A 180 7.046 -3.508 -0.710 1.00 0.00 O ATOM 974 CB ILE A 180 4.469 -1.749 -1.802 1.00 0.00 C ATOM 975 CG1 ILE A 180 4.002 -0.942 -3.017 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.286 -0.878 -0.856 1.00 0.00 C ATOM 977 CD1 ILE A 180 3.159 0.267 -2.662 1.00 0.00 C ATOM 0 H ILE A 180 3.525 -3.605 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 180 6.109 -2.621 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 180 3.589 -2.102 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.875 -0.612 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.427 -1.594 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.689 -0.021 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.572 -1.461 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.183 -0.528 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.867 0.787 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.266 -0.056 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.737 0.941 -2.030 1.00 0.00 H new ATOM 989 N ARG A 181 5.037 -4.467 -0.369 1.00 0.00 N ATOM 990 CA ARG A 181 5.462 -5.204 0.815 1.00 0.00 C ATOM 991 C ARG A 181 6.702 -6.033 0.506 1.00 0.00 C ATOM 992 O ARG A 181 7.645 -6.077 1.295 1.00 0.00 O ATOM 993 CB ARG A 181 4.333 -6.113 1.310 1.00 0.00 C ATOM 994 CG ARG A 181 4.628 -6.794 2.638 1.00 0.00 C ATOM 995 CD ARG A 181 4.764 -5.782 3.766 1.00 0.00 C ATOM 996 NE ARG A 181 4.965 -6.425 5.063 1.00 0.00 N ATOM 997 CZ ARG A 181 6.022 -7.174 5.366 1.00 0.00 C ATOM 998 NH1 ARG A 181 6.982 -7.370 4.471 1.00 0.00 N ATOM 999 NH2 ARG A 181 6.121 -7.725 6.567 1.00 0.00 N ATOM 0 H ARG A 181 4.062 -4.615 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 181 5.705 -4.487 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.422 -5.523 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.138 -6.876 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 181 3.829 -7.497 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.548 -7.373 2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 181 5.603 -5.118 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.869 -5.161 3.805 1.00 0.00 H new ATOM 0 HE ARG A 181 4.251 -6.291 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 181 6.911 -6.946 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 181 7.790 -7.945 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 181 5.387 -7.575 7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 181 6.931 -8.299 6.799 1.00 0.00 H new ATOM 1013 N MET A 182 6.696 -6.678 -0.657 1.00 0.00 N ATOM 1014 CA MET A 182 7.825 -7.495 -1.084 1.00 0.00 C ATOM 1015 C MET A 182 9.085 -6.644 -1.204 1.00 0.00 C ATOM 1016 O MET A 182 10.180 -7.083 -0.856 1.00 0.00 O ATOM 1017 CB MET A 182 7.518 -8.171 -2.421 1.00 0.00 C ATOM 1018 CG MET A 182 6.327 -9.114 -2.369 1.00 0.00 C ATOM 1019 SD MET A 182 6.566 -10.473 -1.208 1.00 0.00 S ATOM 1020 CE MET A 182 5.021 -11.358 -1.402 1.00 0.00 C ATOM 0 H MET A 182 5.921 -6.650 -1.320 1.00 0.00 H new ATOM 0 HA MET A 182 7.995 -8.266 -0.332 1.00 0.00 H new ATOM 0 HB2 MET A 182 7.330 -7.403 -3.172 1.00 0.00 H new ATOM 0 HB3 MET A 182 8.397 -8.727 -2.747 1.00 0.00 H new ATOM 0 HG2 MET A 182 5.436 -8.553 -2.087 1.00 0.00 H new ATOM 0 HG3 MET A 182 6.146 -9.519 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 182 5.051 -12.276 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 182 4.198 -10.733 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 182 4.873 -11.605 -2.453 1.00 0.00 H new ATOM 1030 N GLN A 183 8.923 -5.423 -1.703 1.00 0.00 N ATOM 1031 CA GLN A 183 10.048 -4.510 -1.867 1.00 0.00 C ATOM 1032 C GLN A 183 10.656 -4.141 -0.516 1.00 0.00 C ATOM 1033 O GLN A 183 11.876 -4.139 -0.353 1.00 0.00 O ATOM 1034 CB GLN A 183 9.604 -3.241 -2.600 1.00 0.00 C ATOM 1035 CG GLN A 183 9.041 -3.502 -3.989 1.00 0.00 C ATOM 1036 CD GLN A 183 10.074 -4.037 -4.969 1.00 0.00 C ATOM 1037 OE1 GLN A 183 11.336 -4.085 -4.552 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 9.740 -4.392 -6.100 1.00 0.00 N flip ATOM 0 H GLN A 183 8.024 -5.043 -2.001 1.00 0.00 H new ATOM 0 HA GLN A 183 10.807 -5.019 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.849 -2.732 -2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.454 -2.564 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 183 8.220 -4.215 -3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 183 8.623 -2.576 -4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 183 8.761 -4.340 -6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 183 10.442 -4.738 -6.754 1.00 0.00 H new ATOM 1047 N LEU A 184 9.796 -3.824 0.450 1.00 0.00 N ATOM 1048 CA LEU A 184 10.248 -3.448 1.788 1.00 0.00 C ATOM 1049 C LEU A 184 11.015 -4.581 2.461 1.00 0.00 C ATOM 1050 O LEU A 184 12.139 -4.386 2.924 1.00 0.00 O ATOM 1051 CB LEU A 184 9.057 -3.035 2.661 1.00 0.00 C ATOM 1052 CG LEU A 184 8.550 -1.603 2.450 1.00 0.00 C ATOM 1053 CD1 LEU A 184 9.628 -0.598 2.824 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.098 -1.392 1.014 1.00 0.00 C ATOM 0 H LEU A 184 8.783 -3.820 0.331 1.00 0.00 H new ATOM 0 HA LEU A 184 10.924 -2.600 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.234 -3.725 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.338 -3.152 3.708 1.00 0.00 H new ATOM 0 HG LEU A 184 7.689 -1.448 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.252 0.413 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 184 9.898 -0.728 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.507 -0.758 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.743 -0.369 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 184 8.935 -1.569 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.291 -2.086 0.781 1.00 0.00 H new ATOM 1066 N ARG A 185 10.408 -5.763 2.515 1.00 0.00 N ATOM 1067 CA ARG A 185 11.049 -6.917 3.136 1.00 0.00 C ATOM 1068 C ARG A 185 12.385 -7.215 2.465 1.00 0.00 C ATOM 1069 O ARG A 185 13.363 -7.555 3.131 1.00 0.00 O ATOM 1070 CB ARG A 185 10.133 -8.143 3.066 1.00 0.00 C ATOM 1071 CG ARG A 185 9.793 -8.571 1.649 1.00 0.00 C ATOM 1072 CD ARG A 185 8.894 -9.797 1.637 1.00 0.00 C ATOM 1073 NE ARG A 185 7.623 -9.549 2.312 1.00 0.00 N ATOM 1074 CZ ARG A 185 6.665 -10.462 2.437 1.00 0.00 C ATOM 1075 NH1 ARG A 185 6.835 -11.679 1.937 1.00 0.00 N ATOM 1076 NH2 ARG A 185 5.535 -10.158 3.062 1.00 0.00 N ATOM 0 H ARG A 185 9.478 -5.946 2.138 1.00 0.00 H new ATOM 0 HA ARG A 185 11.234 -6.682 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.613 -8.974 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 185 9.209 -7.926 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.298 -7.751 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 185 10.711 -8.787 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.705 -10.098 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 185 9.407 -10.627 2.123 1.00 0.00 H new ATOM 0 HE ARG A 185 7.461 -8.624 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 185 7.702 -11.916 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 185 6.098 -12.378 2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 185 5.401 -9.223 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 185 4.800 -10.859 3.157 1.00 0.00 H new ATOM 1090 N ARG A 186 12.418 -7.079 1.144 1.00 0.00 N ATOM 1091 CA ARG A 186 13.632 -7.325 0.375 1.00 0.00 C ATOM 1092 C ARG A 186 14.728 -6.337 0.766 1.00 0.00 C ATOM 1093 O ARG A 186 15.899 -6.703 0.868 1.00 0.00 O ATOM 1094 CB ARG A 186 13.339 -7.218 -1.122 1.00 0.00 C ATOM 1095 CG ARG A 186 14.538 -7.516 -2.007 1.00 0.00 C ATOM 1096 CD ARG A 186 15.027 -8.945 -1.828 1.00 0.00 C ATOM 1097 NE ARG A 186 13.987 -9.920 -2.145 1.00 0.00 N ATOM 1098 CZ ARG A 186 14.165 -11.236 -2.083 1.00 0.00 C ATOM 1099 NH1 ARG A 186 15.341 -11.735 -1.724 1.00 0.00 N ATOM 1100 NH2 ARG A 186 13.165 -12.056 -2.382 1.00 0.00 N ATOM 0 H ARG A 186 11.614 -6.799 0.582 1.00 0.00 H new ATOM 0 HA ARG A 186 13.981 -8.333 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.533 -7.907 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.979 -6.213 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 186 14.270 -7.351 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.345 -6.823 -1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 186 15.892 -9.116 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 186 15.359 -9.089 -0.800 1.00 0.00 H new ATOM 0 HE ARG A 186 13.072 -9.571 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 186 16.112 -11.108 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 186 15.474 -12.745 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 186 12.260 -11.676 -2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 186 13.302 -13.066 -2.334 1.00 0.00 H new ATOM 1114 N ALA A 187 14.339 -5.084 0.980 1.00 0.00 N ATOM 1115 CA ALA A 187 15.285 -4.040 1.357 1.00 0.00 C ATOM 1116 C ALA A 187 15.953 -4.356 2.691 1.00 0.00 C ATOM 1117 O ALA A 187 17.165 -4.200 2.842 1.00 0.00 O ATOM 1118 CB ALA A 187 14.583 -2.691 1.422 1.00 0.00 C ATOM 0 H ALA A 187 13.373 -4.767 0.898 1.00 0.00 H new ATOM 0 HA ALA A 187 16.063 -3.997 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.301 -1.921 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.161 -2.453 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.784 -2.732 2.163 1.00 0.00 H new