USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=16 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 147 ASN :FLIP amide:sc= -0.205 F(o=-6.2!,f=-2.1) USER MOD Set 1.2: A 150 GLN : amide:sc= -1.94! C(o=-2.1!,f=-3.1!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 140 LYS NZ :NH3+ 166:sc= -0.0144 (180deg=-0.244) USER MOD Single : A 142 LYS NZ :NH3+ -166:sc= -0.0384 (180deg=-0.241) USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 148 MET CE :methyl 130:sc= -0.349 (180deg=-0.79) USER MOD Single : A 151 THR OG1 : rot 64:sc= 1.28 USER MOD Single : A 152 TYR OH : rot 30:sc= -0.179 USER MOD Single : A 161 LYS NZ :NH3+ -167:sc= -0.0453 (180deg=-0.262) USER MOD Single : A 165 THR OG1 : rot 76:sc= 0.116 USER MOD Single : A 167 GLN :FLIP amide:sc= -0.164 F(o=-2.3!,f=-0.16) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 MET CE :methyl 161:sc= -0.249 (180deg=-1.2) USER MOD Single : A 171 GLN :FLIP amide:sc= -0.897 F(o=-3.2!,f=-0.9) USER MOD Single : A 173 SER OG : rot 174:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 THR OG1 : rot 68:sc= 0.291 USER MOD Single : A 176 LYS NZ :NH3+ -177:sc= -0.709 (180deg=-0.73) USER MOD Single : A 182 MET CE :methyl -130:sc= -0.611 (180deg=-2.28) USER MOD Single : A 183 GLN : amide:sc= -0.0809 X(o=-0.081,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.124 5.779 -1.455 1.00 0.00 N ATOM 112 CA ARG A 127 14.421 4.502 -1.510 1.00 0.00 C ATOM 113 C ARG A 127 13.488 4.346 -0.312 1.00 0.00 C ATOM 114 O ARG A 127 12.353 3.892 -0.451 1.00 0.00 O ATOM 115 CB ARG A 127 15.422 3.346 -1.551 1.00 0.00 C ATOM 116 CG ARG A 127 14.768 1.975 -1.620 1.00 0.00 C ATOM 117 CD ARG A 127 15.805 0.868 -1.741 1.00 0.00 C ATOM 118 NE ARG A 127 16.738 0.858 -0.616 1.00 0.00 N ATOM 119 CZ ARG A 127 16.380 0.622 0.643 1.00 0.00 C ATOM 120 NH1 ARG A 127 15.114 0.366 0.943 1.00 0.00 N ATOM 121 NH2 ARG A 127 17.294 0.636 1.605 1.00 0.00 N ATOM 0 HA ARG A 127 13.821 4.482 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.074 3.472 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 127 16.055 3.393 -0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.164 1.813 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.091 1.936 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.299 -0.096 -1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.361 0.994 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 127 17.723 1.043 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.409 0.349 0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.846 0.186 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 127 18.270 0.828 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.021 0.455 2.571 1.00 0.00 H new ATOM 135 N VAL A 128 13.978 4.725 0.865 1.00 0.00 N ATOM 136 CA VAL A 128 13.195 4.628 2.092 1.00 0.00 C ATOM 137 C VAL A 128 11.899 5.423 1.994 1.00 0.00 C ATOM 138 O VAL A 128 10.829 4.924 2.337 1.00 0.00 O ATOM 139 CB VAL A 128 13.994 5.139 3.307 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.100 5.240 4.536 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.187 4.236 3.581 1.00 0.00 C ATOM 0 H VAL A 128 14.916 5.103 0.994 1.00 0.00 H new ATOM 0 HA VAL A 128 12.960 3.572 2.226 1.00 0.00 H new ATOM 0 HB VAL A 128 14.367 6.137 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.684 5.603 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.283 5.933 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.692 4.257 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.739 4.613 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.838 3.225 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.841 4.222 2.709 1.00 0.00 H new ATOM 151 N ALA A 129 12.005 6.665 1.541 1.00 0.00 N ATOM 152 CA ALA A 129 10.844 7.535 1.415 1.00 0.00 C ATOM 153 C ALA A 129 9.819 6.969 0.440 1.00 0.00 C ATOM 154 O ALA A 129 8.627 6.960 0.727 1.00 0.00 O ATOM 155 CB ALA A 129 11.271 8.925 0.980 1.00 0.00 C ATOM 0 H ALA A 129 12.885 7.093 1.254 1.00 0.00 H new ATOM 0 HA ALA A 129 10.371 7.597 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.393 9.564 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.951 9.345 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.776 8.865 0.016 1.00 0.00 H new ATOM 161 N GLY A 130 10.290 6.504 -0.714 1.00 0.00 N ATOM 162 CA GLY A 130 9.390 5.953 -1.714 1.00 0.00 C ATOM 163 C GLY A 130 8.568 4.788 -1.194 1.00 0.00 C ATOM 164 O GLY A 130 7.352 4.750 -1.372 1.00 0.00 O ATOM 0 H GLY A 130 11.276 6.499 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.718 6.738 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.971 5.625 -2.576 1.00 0.00 H new ATOM 168 N LEU A 131 9.230 3.834 -0.554 1.00 0.00 N ATOM 169 CA LEU A 131 8.550 2.662 -0.013 1.00 0.00 C ATOM 170 C LEU A 131 7.646 3.044 1.159 1.00 0.00 C ATOM 171 O LEU A 131 6.514 2.569 1.269 1.00 0.00 O ATOM 172 CB LEU A 131 9.581 1.626 0.441 1.00 0.00 C ATOM 173 CG LEU A 131 10.579 1.187 -0.635 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.644 0.282 -0.035 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.863 0.477 -1.776 1.00 0.00 C ATOM 0 H LEU A 131 10.238 3.847 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 131 7.927 2.235 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.137 2.035 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.052 0.745 0.805 1.00 0.00 H new ATOM 0 HG LEU A 131 11.064 2.078 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.345 -0.021 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.180 0.820 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.171 -0.603 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.590 0.174 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.350 -0.404 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.135 1.153 -2.226 1.00 0.00 H new ATOM 187 N GLU A 132 8.164 3.898 2.035 1.00 0.00 N ATOM 188 CA GLU A 132 7.426 4.345 3.213 1.00 0.00 C ATOM 189 C GLU A 132 6.148 5.095 2.835 1.00 0.00 C ATOM 190 O GLU A 132 5.083 4.839 3.397 1.00 0.00 O ATOM 191 CB GLU A 132 8.321 5.237 4.077 1.00 0.00 C ATOM 192 CG GLU A 132 7.655 5.737 5.349 1.00 0.00 C ATOM 193 CD GLU A 132 7.260 4.616 6.296 1.00 0.00 C ATOM 194 OE1 GLU A 132 7.555 3.441 5.989 1.00 0.00 O ATOM 195 OE2 GLU A 132 6.660 4.916 7.349 1.00 0.00 O ATOM 0 H GLU A 132 9.099 4.298 1.951 1.00 0.00 H new ATOM 0 HA GLU A 132 7.132 3.460 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.220 4.682 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 132 8.641 6.095 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.333 6.417 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.767 6.311 5.085 1.00 0.00 H new ATOM 202 N LYS A 133 6.258 6.022 1.888 1.00 0.00 N ATOM 203 CA LYS A 133 5.105 6.804 1.451 1.00 0.00 C ATOM 204 C LYS A 133 4.030 5.904 0.854 1.00 0.00 C ATOM 205 O LYS A 133 2.842 6.101 1.100 1.00 0.00 O ATOM 206 CB LYS A 133 5.524 7.875 0.440 1.00 0.00 C ATOM 207 CG LYS A 133 6.188 7.319 -0.807 1.00 0.00 C ATOM 208 CD LYS A 133 6.704 8.428 -1.715 1.00 0.00 C ATOM 209 CE LYS A 133 7.696 9.330 -0.995 1.00 0.00 C ATOM 210 NZ LYS A 133 8.231 10.392 -1.890 1.00 0.00 N ATOM 0 H LYS A 133 7.130 6.250 1.410 1.00 0.00 H new ATOM 0 HA LYS A 133 4.688 7.301 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.644 8.447 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.209 8.570 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.015 6.670 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.475 6.703 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.181 7.989 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.865 9.024 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.210 9.791 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.521 8.729 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 8.903 10.985 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 8.717 9.953 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 7.447 10.981 -2.236 1.00 0.00 H new ATOM 224 N GLN A 134 4.452 4.908 0.078 1.00 0.00 N ATOM 225 CA GLN A 134 3.514 3.975 -0.538 1.00 0.00 C ATOM 226 C GLN A 134 2.641 3.310 0.519 1.00 0.00 C ATOM 227 O GLN A 134 1.425 3.212 0.361 1.00 0.00 O ATOM 228 CB GLN A 134 4.263 2.907 -1.336 1.00 0.00 C ATOM 229 CG GLN A 134 4.968 3.445 -2.569 1.00 0.00 C ATOM 230 CD GLN A 134 4.003 4.001 -3.597 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.138 3.287 -4.103 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.147 5.283 -3.912 1.00 0.00 N ATOM 0 H GLN A 134 5.432 4.727 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 134 2.875 4.541 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.998 2.431 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.558 2.133 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.666 4.227 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.557 2.648 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 134 4.878 5.838 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.526 5.712 -4.598 1.00 0.00 H new ATOM 241 N LEU A 135 3.270 2.855 1.599 1.00 0.00 N ATOM 242 CA LEU A 135 2.555 2.198 2.683 1.00 0.00 C ATOM 243 C LEU A 135 1.491 3.113 3.280 1.00 0.00 C ATOM 244 O LEU A 135 0.356 2.695 3.513 1.00 0.00 O ATOM 245 CB LEU A 135 3.541 1.768 3.770 1.00 0.00 C ATOM 246 CG LEU A 135 4.591 0.743 3.332 1.00 0.00 C ATOM 247 CD1 LEU A 135 5.579 0.477 4.457 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.922 -0.553 2.896 1.00 0.00 C ATOM 0 H LEU A 135 4.277 2.931 1.745 1.00 0.00 H new ATOM 0 HA LEU A 135 2.055 1.319 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.055 2.654 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.977 1.352 4.605 1.00 0.00 H new ATOM 0 HG LEU A 135 5.137 1.153 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.318 -0.254 4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.082 1.406 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.046 0.088 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.683 -1.270 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 135 3.351 -0.965 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.252 -0.353 2.060 1.00 0.00 H new ATOM 260 N ALA A 136 1.870 4.359 3.532 1.00 0.00 N ATOM 261 CA ALA A 136 0.960 5.342 4.114 1.00 0.00 C ATOM 262 C ALA A 136 -0.223 5.635 3.194 1.00 0.00 C ATOM 263 O ALA A 136 -1.373 5.650 3.633 1.00 0.00 O ATOM 264 CB ALA A 136 1.711 6.626 4.430 1.00 0.00 C ATOM 0 H ALA A 136 2.806 4.716 3.342 1.00 0.00 H new ATOM 0 HA ALA A 136 0.562 4.920 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.024 7.352 4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.511 6.415 5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.138 7.033 3.513 1.00 0.00 H new ATOM 270 N ILE A 137 0.068 5.879 1.920 1.00 0.00 N ATOM 271 CA ILE A 137 -0.969 6.184 0.939 1.00 0.00 C ATOM 272 C ILE A 137 -2.018 5.079 0.875 1.00 0.00 C ATOM 273 O ILE A 137 -3.217 5.354 0.817 1.00 0.00 O ATOM 274 CB ILE A 137 -0.368 6.395 -0.466 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.638 7.549 -0.443 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.472 6.663 -1.480 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.356 7.759 -1.759 1.00 0.00 C ATOM 0 H ILE A 137 1.015 5.871 1.542 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.447 7.108 1.265 1.00 0.00 H new ATOM 0 HB ILE A 137 0.156 5.487 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 137 0.117 8.468 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.376 7.360 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.032 6.810 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.153 5.813 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.022 7.559 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 137 2.052 8.593 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.906 6.855 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.628 7.980 -2.539 1.00 0.00 H new ATOM 289 N GLU A 138 -1.563 3.830 0.883 1.00 0.00 N ATOM 290 CA GLU A 138 -2.470 2.689 0.823 1.00 0.00 C ATOM 291 C GLU A 138 -3.399 2.661 2.030 1.00 0.00 C ATOM 292 O GLU A 138 -4.588 2.381 1.899 1.00 0.00 O ATOM 293 CB GLU A 138 -1.687 1.381 0.741 1.00 0.00 C ATOM 294 CG GLU A 138 -0.780 1.278 -0.474 1.00 0.00 C ATOM 295 CD GLU A 138 -1.518 1.474 -1.786 1.00 0.00 C ATOM 296 OE1 GLU A 138 -2.035 2.587 -2.021 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.581 0.512 -2.579 1.00 0.00 O ATOM 0 H GLU A 138 -0.575 3.583 0.930 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.076 2.796 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.083 1.274 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.391 0.549 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.011 2.024 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.297 0.301 -0.478 1.00 0.00 H new ATOM 304 N LEU A 139 -2.849 2.948 3.206 1.00 0.00 N ATOM 305 CA LEU A 139 -3.636 2.951 4.434 1.00 0.00 C ATOM 306 C LEU A 139 -4.802 3.931 4.330 1.00 0.00 C ATOM 307 O LEU A 139 -5.908 3.643 4.789 1.00 0.00 O ATOM 308 CB LEU A 139 -2.755 3.314 5.632 1.00 0.00 C ATOM 309 CG LEU A 139 -1.617 2.335 5.922 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.747 2.852 7.056 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.169 0.958 6.261 1.00 0.00 C ATOM 0 H LEU A 139 -1.864 3.181 3.334 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.038 1.948 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.328 4.303 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.386 3.386 6.518 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.002 2.248 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.058 2.143 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.322 3.817 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.352 2.968 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.344 0.275 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.807 1.029 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.752 0.583 5.420 1.00 0.00 H new ATOM 323 N LYS A 140 -4.546 5.087 3.725 1.00 0.00 N ATOM 324 CA LYS A 140 -5.573 6.110 3.560 1.00 0.00 C ATOM 325 C LYS A 140 -6.720 5.600 2.690 1.00 0.00 C ATOM 326 O LYS A 140 -7.890 5.731 3.049 1.00 0.00 O ATOM 327 CB LYS A 140 -4.970 7.372 2.939 1.00 0.00 C ATOM 328 CG LYS A 140 -5.968 8.508 2.770 1.00 0.00 C ATOM 329 CD LYS A 140 -5.320 9.738 2.151 1.00 0.00 C ATOM 330 CE LYS A 140 -4.824 9.463 0.739 1.00 0.00 C ATOM 331 NZ LYS A 140 -5.935 9.077 -0.174 1.00 0.00 N ATOM 0 H LYS A 140 -3.635 5.339 3.341 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.970 6.351 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.145 7.715 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.550 7.122 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.794 8.176 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.391 8.769 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.039 10.557 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.486 10.062 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.326 10.351 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.081 8.666 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.608 9.129 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.238 8.105 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.736 9.727 -0.040 1.00 0.00 H new ATOM 345 N VAL A 141 -6.375 5.020 1.544 1.00 0.00 N ATOM 346 CA VAL A 141 -7.374 4.492 0.621 1.00 0.00 C ATOM 347 C VAL A 141 -8.125 3.316 1.238 1.00 0.00 C ATOM 348 O VAL A 141 -9.345 3.209 1.111 1.00 0.00 O ATOM 349 CB VAL A 141 -6.731 4.042 -0.704 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.792 3.548 -1.677 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.924 5.177 -1.316 1.00 0.00 C ATOM 0 H VAL A 141 -5.411 4.904 1.232 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.077 5.300 0.417 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.054 3.214 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.316 3.235 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.323 2.703 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.498 4.352 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.476 4.842 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.580 6.026 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.137 5.478 -0.625 1.00 0.00 H new ATOM 361 N LYS A 142 -7.385 2.436 1.907 1.00 0.00 N ATOM 362 CA LYS A 142 -7.971 1.265 2.548 1.00 0.00 C ATOM 363 C LYS A 142 -9.004 1.682 3.590 1.00 0.00 C ATOM 364 O LYS A 142 -10.107 1.138 3.637 1.00 0.00 O ATOM 365 CB LYS A 142 -6.875 0.418 3.201 1.00 0.00 C ATOM 366 CG LYS A 142 -7.394 -0.841 3.877 1.00 0.00 C ATOM 367 CD LYS A 142 -6.262 -1.651 4.486 1.00 0.00 C ATOM 368 CE LYS A 142 -6.780 -2.906 5.170 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.727 -2.585 6.272 1.00 0.00 N ATOM 0 H LYS A 142 -6.374 2.513 2.019 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.472 0.669 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.145 0.137 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.350 1.025 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.108 -0.570 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.930 -1.451 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.551 -1.927 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.722 -1.038 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.278 -3.540 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.940 -3.476 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.873 -3.430 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.334 -1.820 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.637 -2.281 5.870 1.00 0.00 H new ATOM 383 N GLN A 143 -8.640 2.654 4.419 1.00 0.00 N ATOM 384 CA GLN A 143 -9.536 3.149 5.455 1.00 0.00 C ATOM 385 C GLN A 143 -10.795 3.746 4.833 1.00 0.00 C ATOM 386 O GLN A 143 -11.911 3.451 5.259 1.00 0.00 O ATOM 387 CB GLN A 143 -8.826 4.199 6.313 1.00 0.00 C ATOM 388 CG GLN A 143 -9.687 4.756 7.435 1.00 0.00 C ATOM 389 CD GLN A 143 -8.978 5.818 8.262 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.733 6.126 7.907 1.00 0.00 O flip ATOM 391 NE2 GLN A 143 -9.546 6.357 9.211 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.730 3.114 4.393 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.825 2.311 6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.927 3.757 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.503 5.020 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.596 5.182 7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.993 3.940 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.501 6.092 9.451 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -9.061 7.069 9.758 1.00 0.00 H new ATOM 400 N GLY A 144 -10.602 4.583 3.818 1.00 0.00 N ATOM 401 CA GLY A 144 -11.723 5.211 3.143 1.00 0.00 C ATOM 402 C GLY A 144 -12.670 4.202 2.524 1.00 0.00 C ATOM 403 O GLY A 144 -13.885 4.402 2.521 1.00 0.00 O ATOM 0 H GLY A 144 -9.685 4.838 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.271 5.829 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.348 5.876 2.365 1.00 0.00 H new ATOM 407 N ALA A 145 -12.114 3.113 2.002 1.00 0.00 N ATOM 408 CA ALA A 145 -12.915 2.069 1.383 1.00 0.00 C ATOM 409 C ALA A 145 -13.781 1.376 2.422 1.00 0.00 C ATOM 410 O ALA A 145 -14.951 1.085 2.179 1.00 0.00 O ATOM 411 CB ALA A 145 -12.020 1.062 0.677 1.00 0.00 C ATOM 0 H ALA A 145 -11.110 2.933 1.997 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.569 2.529 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.635 0.287 0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.440 1.569 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.343 0.608 1.400 1.00 0.00 H new ATOM 417 N GLU A 146 -13.195 1.122 3.587 1.00 0.00 N ATOM 418 CA GLU A 146 -13.910 0.470 4.678 1.00 0.00 C ATOM 419 C GLU A 146 -15.080 1.328 5.143 1.00 0.00 C ATOM 420 O GLU A 146 -16.170 0.818 5.406 1.00 0.00 O ATOM 421 CB GLU A 146 -12.965 0.191 5.850 1.00 0.00 C ATOM 422 CG GLU A 146 -11.858 -0.802 5.523 1.00 0.00 C ATOM 423 CD GLU A 146 -12.383 -2.193 5.217 1.00 0.00 C ATOM 424 OE1 GLU A 146 -13.612 -2.401 5.306 1.00 0.00 O ATOM 425 OE2 GLU A 146 -11.562 -3.078 4.897 1.00 0.00 O ATOM 0 H GLU A 146 -12.226 1.358 3.800 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.299 -0.479 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.515 1.130 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.546 -0.190 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -11.291 -0.437 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.166 -0.857 6.364 1.00 0.00 H new ATOM 432 N ASN A 147 -14.850 2.633 5.234 1.00 0.00 N ATOM 433 CA ASN A 147 -15.887 3.565 5.658 1.00 0.00 C ATOM 434 C ASN A 147 -17.077 3.515 4.706 1.00 0.00 C ATOM 435 O ASN A 147 -18.229 3.579 5.131 1.00 0.00 O ATOM 436 CB ASN A 147 -15.332 4.989 5.729 1.00 0.00 C ATOM 437 CG ASN A 147 -14.227 5.128 6.757 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.065 5.593 6.317 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -14.418 4.825 7.935 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.953 3.069 5.019 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.223 3.269 6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.951 5.277 4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -16.140 5.679 5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -15.328 4.471 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -13.666 4.928 8.616 1.00 0.00 H new ATOM 446 N MET A 148 -16.789 3.404 3.414 1.00 0.00 N ATOM 447 CA MET A 148 -17.837 3.344 2.403 1.00 0.00 C ATOM 448 C MET A 148 -18.591 2.019 2.467 1.00 0.00 C ATOM 449 O MET A 148 -19.820 1.996 2.479 1.00 0.00 O ATOM 450 CB MET A 148 -17.242 3.539 1.007 1.00 0.00 C ATOM 451 CG MET A 148 -16.538 4.874 0.827 1.00 0.00 C ATOM 452 SD MET A 148 -15.885 5.099 -0.839 1.00 0.00 S ATOM 453 CE MET A 148 -17.393 5.052 -1.803 1.00 0.00 C ATOM 0 H MET A 148 -15.840 3.354 3.043 1.00 0.00 H new ATOM 0 HA MET A 148 -18.543 4.149 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.534 2.735 0.807 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.038 3.455 0.267 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.236 5.681 1.051 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.722 4.949 1.546 1.00 0.00 H new ATOM 0 HE1 MET A 148 -17.422 5.910 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.423 4.132 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.253 5.086 -1.135 1.00 0.00 H new ATOM 463 N ILE A 149 -17.849 0.916 2.505 1.00 0.00 N ATOM 464 CA ILE A 149 -18.453 -0.411 2.562 1.00 0.00 C ATOM 465 C ILE A 149 -19.438 -0.524 3.722 1.00 0.00 C ATOM 466 O ILE A 149 -20.553 -1.012 3.552 1.00 0.00 O ATOM 467 CB ILE A 149 -17.381 -1.513 2.698 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.439 -1.489 1.491 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.037 -2.881 2.840 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.305 -2.488 1.583 1.00 0.00 C ATOM 0 H ILE A 149 -16.829 0.915 2.497 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.990 -0.552 1.624 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.796 -1.320 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.015 -1.689 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.021 -0.488 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.266 -3.646 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.669 -2.891 3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.645 -3.086 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.680 -2.412 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.704 -2.276 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.713 -3.496 1.655 1.00 0.00 H new ATOM 482 N GLN A 150 -19.019 -0.075 4.900 1.00 0.00 N ATOM 483 CA GLN A 150 -19.871 -0.133 6.083 1.00 0.00 C ATOM 484 C GLN A 150 -21.078 0.793 5.944 1.00 0.00 C ATOM 485 O GLN A 150 -22.179 0.458 6.380 1.00 0.00 O ATOM 486 CB GLN A 150 -19.071 0.228 7.338 1.00 0.00 C ATOM 487 CG GLN A 150 -18.497 1.637 7.314 1.00 0.00 C ATOM 488 CD GLN A 150 -17.706 1.997 8.564 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.195 3.112 8.680 1.00 0.00 O ATOM 490 NE2 GLN A 150 -17.595 1.065 9.508 1.00 0.00 N ATOM 0 H GLN A 150 -18.098 0.332 5.061 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.238 -1.155 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -19.715 0.122 8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.255 -0.485 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.850 1.742 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -19.313 2.350 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -18.032 0.152 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -17.073 1.263 10.362 1.00 0.00 H new ATOM 499 N THR A 151 -20.863 1.963 5.346 1.00 0.00 N ATOM 500 CA THR A 151 -21.936 2.938 5.166 1.00 0.00 C ATOM 501 C THR A 151 -23.070 2.396 4.301 1.00 0.00 C ATOM 502 O THR A 151 -24.236 2.477 4.682 1.00 0.00 O ATOM 503 CB THR A 151 -21.416 4.244 4.535 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.490 4.883 5.421 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.565 5.196 4.221 1.00 0.00 C ATOM 0 H THR A 151 -19.958 2.258 4.979 1.00 0.00 H new ATOM 0 HA THR A 151 -22.321 3.143 6.165 1.00 0.00 H new ATOM 0 HB THR A 151 -20.912 3.991 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.706 4.308 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.170 6.109 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.251 4.720 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.097 5.441 5.141 1.00 0.00 H new ATOM 513 N TYR A 152 -22.732 1.866 3.129 1.00 0.00 N ATOM 514 CA TYR A 152 -23.742 1.338 2.215 1.00 0.00 C ATOM 515 C TYR A 152 -24.290 -0.006 2.690 1.00 0.00 C ATOM 516 O TYR A 152 -25.503 -0.195 2.769 1.00 0.00 O ATOM 517 CB TYR A 152 -23.172 1.196 0.800 1.00 0.00 C ATOM 518 CG TYR A 152 -22.800 2.512 0.149 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.727 3.264 0.611 1.00 0.00 C ATOM 520 CD2 TYR A 152 -23.519 2.996 -0.938 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.383 4.461 0.014 1.00 0.00 C ATOM 522 CE2 TYR A 152 -23.180 4.193 -1.541 1.00 0.00 C ATOM 523 CZ TYR A 152 -22.111 4.921 -1.061 1.00 0.00 C ATOM 524 OH TYR A 152 -21.772 6.114 -1.656 1.00 0.00 O ATOM 0 H TYR A 152 -21.773 1.791 2.791 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.565 2.052 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.288 0.559 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.905 0.687 0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.152 2.906 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -24.356 2.428 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.547 5.034 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -23.749 4.556 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.808 6.264 -1.563 1.00 0.00 H new ATOM 649 N LYS A 161 -24.505 0.490 -6.187 1.00 0.00 N ATOM 650 CA LYS A 161 -23.472 0.428 -7.216 1.00 0.00 C ATOM 651 C LYS A 161 -22.130 0.861 -6.638 1.00 0.00 C ATOM 652 O LYS A 161 -21.093 0.257 -6.919 1.00 0.00 O ATOM 653 CB LYS A 161 -23.847 1.312 -8.410 1.00 0.00 C ATOM 654 CG LYS A 161 -24.058 2.774 -8.048 1.00 0.00 C ATOM 655 CD LYS A 161 -24.437 3.605 -9.265 1.00 0.00 C ATOM 656 CE LYS A 161 -23.331 3.610 -10.310 1.00 0.00 C ATOM 657 NZ LYS A 161 -22.061 4.172 -9.774 1.00 0.00 N ATOM 0 HA LYS A 161 -23.390 -0.602 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -23.061 1.243 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.759 0.925 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -24.842 2.853 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.147 3.174 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.352 3.209 -9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.649 4.628 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -23.158 2.592 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -23.650 4.194 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -21.407 4.363 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -22.260 5.058 -9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -21.627 3.489 -9.121 1.00 0.00 H new ATOM 671 N LEU A 162 -22.163 1.903 -5.811 1.00 0.00 N ATOM 672 CA LEU A 162 -20.959 2.412 -5.171 1.00 0.00 C ATOM 673 C LEU A 162 -20.429 1.402 -4.157 1.00 0.00 C ATOM 674 O LEU A 162 -19.223 1.305 -3.939 1.00 0.00 O ATOM 675 CB LEU A 162 -21.240 3.755 -4.493 1.00 0.00 C ATOM 676 CG LEU A 162 -21.692 4.874 -5.437 1.00 0.00 C ATOM 677 CD1 LEU A 162 -21.970 6.150 -4.658 1.00 0.00 C ATOM 678 CD2 LEU A 162 -20.642 5.125 -6.509 1.00 0.00 C ATOM 0 H LEU A 162 -23.014 2.411 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.198 2.566 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.008 3.608 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.338 4.079 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 162 -22.615 4.559 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -22.290 6.933 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -22.757 5.966 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.063 6.467 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -20.980 5.923 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -19.704 5.418 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -20.489 4.215 -7.088 1.00 0.00 H new ATOM 690 N LEU A 163 -21.342 0.648 -3.547 1.00 0.00 N ATOM 691 CA LEU A 163 -20.971 -0.365 -2.562 1.00 0.00 C ATOM 692 C LEU A 163 -20.012 -1.382 -3.172 1.00 0.00 C ATOM 693 O LEU A 163 -18.973 -1.700 -2.591 1.00 0.00 O ATOM 694 CB LEU A 163 -22.220 -1.084 -2.040 1.00 0.00 C ATOM 695 CG LEU A 163 -21.955 -2.265 -1.102 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.351 -1.788 0.207 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.236 -3.042 -0.843 1.00 0.00 C ATOM 0 H LEU A 163 -22.345 0.720 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.473 0.136 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.843 -0.359 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.796 -1.442 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.240 -2.929 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.171 -2.644 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.408 -1.279 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.040 -1.099 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -23.026 -3.877 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.973 -2.385 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.628 -3.422 -1.786 1.00 0.00 H new ATOM 709 N LEU A 164 -20.371 -1.889 -4.346 1.00 0.00 N ATOM 710 CA LEU A 164 -19.548 -2.872 -5.041 1.00 0.00 C ATOM 711 C LEU A 164 -18.202 -2.273 -5.431 1.00 0.00 C ATOM 712 O LEU A 164 -17.157 -2.898 -5.250 1.00 0.00 O ATOM 713 CB LEU A 164 -20.274 -3.386 -6.287 1.00 0.00 C ATOM 714 CG LEU A 164 -21.645 -4.018 -6.029 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.282 -4.461 -7.338 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.522 -5.195 -5.071 1.00 0.00 C ATOM 0 H LEU A 164 -21.228 -1.635 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.371 -3.707 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.399 -2.556 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.639 -4.122 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.287 -3.267 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.255 -4.908 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.407 -3.598 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.640 -5.195 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.507 -5.630 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.862 -5.948 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -21.109 -4.851 -4.123 1.00 0.00 H new ATOM 728 N THR A 165 -18.235 -1.056 -5.968 1.00 0.00 N ATOM 729 CA THR A 165 -17.017 -0.369 -6.383 1.00 0.00 C ATOM 730 C THR A 165 -16.081 -0.150 -5.198 1.00 0.00 C ATOM 731 O THR A 165 -14.867 -0.316 -5.315 1.00 0.00 O ATOM 732 CB THR A 165 -17.333 0.991 -7.035 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.205 0.805 -8.157 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.058 1.685 -7.493 1.00 0.00 C ATOM 0 H THR A 165 -19.092 -0.526 -6.126 1.00 0.00 H new ATOM 0 HA THR A 165 -16.526 -1.008 -7.117 1.00 0.00 H new ATOM 0 HB THR A 165 -17.823 1.618 -6.290 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.115 0.630 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.309 2.642 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.406 1.852 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.545 1.059 -8.223 1.00 0.00 H new ATOM 742 N ALA A 166 -16.655 0.224 -4.058 1.00 0.00 N ATOM 743 CA ALA A 166 -15.874 0.464 -2.851 1.00 0.00 C ATOM 744 C ALA A 166 -15.151 -0.802 -2.411 1.00 0.00 C ATOM 745 O ALA A 166 -13.966 -0.767 -2.080 1.00 0.00 O ATOM 746 CB ALA A 166 -16.769 0.988 -1.735 1.00 0.00 C ATOM 0 H ALA A 166 -17.659 0.367 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.122 1.220 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.171 1.162 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.233 1.923 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.545 0.254 -1.516 1.00 0.00 H new ATOM 752 N GLN A 167 -15.868 -1.922 -2.423 1.00 0.00 N ATOM 753 CA GLN A 167 -15.286 -3.202 -2.040 1.00 0.00 C ATOM 754 C GLN A 167 -14.109 -3.534 -2.947 1.00 0.00 C ATOM 755 O GLN A 167 -13.081 -4.034 -2.493 1.00 0.00 O ATOM 756 CB GLN A 167 -16.337 -4.309 -2.110 1.00 0.00 C ATOM 757 CG GLN A 167 -17.496 -4.098 -1.151 1.00 0.00 C ATOM 758 CD GLN A 167 -18.519 -5.211 -1.223 1.00 0.00 C ATOM 759 OE1 GLN A 167 -19.749 -4.860 -1.574 1.00 0.00 O flip ATOM 760 NE2 GLN A 167 -18.208 -6.375 -0.967 1.00 0.00 N flip ATOM 0 H GLN A 167 -16.850 -1.968 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.929 -3.129 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.723 -4.370 -3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.862 -5.265 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.113 -4.027 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.981 -3.148 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -17.249 -6.600 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -18.909 -7.114 -1.021 1.00 0.00 H new ATOM 769 N GLN A 168 -14.270 -3.237 -4.234 1.00 0.00 N ATOM 770 CA GLN A 168 -13.224 -3.485 -5.215 1.00 0.00 C ATOM 771 C GLN A 168 -11.971 -2.687 -4.868 1.00 0.00 C ATOM 772 O GLN A 168 -10.852 -3.177 -5.006 1.00 0.00 O ATOM 773 CB GLN A 168 -13.713 -3.113 -6.617 1.00 0.00 C ATOM 774 CG GLN A 168 -12.694 -3.383 -7.712 1.00 0.00 C ATOM 775 CD GLN A 168 -13.212 -3.023 -9.090 1.00 0.00 C ATOM 776 OE1 GLN A 168 -13.549 -1.869 -9.357 1.00 0.00 O ATOM 777 NE2 GLN A 168 -13.280 -4.011 -9.973 1.00 0.00 N ATOM 0 H GLN A 168 -15.119 -2.823 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.978 -4.547 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.623 -3.672 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.977 -2.055 -6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -11.787 -2.813 -7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.419 -4.437 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.990 -4.952 -9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -13.622 -3.829 -10.917 1.00 0.00 H new ATOM 786 N MET A 169 -12.173 -1.453 -4.410 1.00 0.00 N ATOM 787 CA MET A 169 -11.062 -0.586 -4.035 1.00 0.00 C ATOM 788 C MET A 169 -10.324 -1.135 -2.819 1.00 0.00 C ATOM 789 O MET A 169 -9.094 -1.166 -2.788 1.00 0.00 O ATOM 790 CB MET A 169 -11.571 0.820 -3.725 1.00 0.00 C ATOM 791 CG MET A 169 -12.119 1.557 -4.935 1.00 0.00 C ATOM 792 SD MET A 169 -12.762 3.185 -4.509 1.00 0.00 S ATOM 793 CE MET A 169 -11.380 3.855 -3.587 1.00 0.00 C ATOM 0 H MET A 169 -13.095 -1.033 -4.290 1.00 0.00 H new ATOM 0 HA MET A 169 -10.370 -0.548 -4.876 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.352 0.754 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.757 1.404 -3.294 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.331 1.664 -5.681 1.00 0.00 H new ATOM 0 HG3 MET A 169 -12.911 0.964 -5.391 1.00 0.00 H new ATOM 0 HE1 MET A 169 -11.464 4.941 -3.542 1.00 0.00 H new ATOM 0 HE2 MET A 169 -11.386 3.449 -2.576 1.00 0.00 H new ATOM 0 HE3 MET A 169 -10.447 3.584 -4.081 1.00 0.00 H new ATOM 803 N LEU A 170 -11.088 -1.550 -1.815 1.00 0.00 N ATOM 804 CA LEU A 170 -10.519 -2.083 -0.581 1.00 0.00 C ATOM 805 C LEU A 170 -9.613 -3.281 -0.861 1.00 0.00 C ATOM 806 O LEU A 170 -8.467 -3.320 -0.414 1.00 0.00 O ATOM 807 CB LEU A 170 -11.646 -2.480 0.384 1.00 0.00 C ATOM 808 CG LEU A 170 -11.224 -2.782 1.830 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.452 -4.090 1.921 1.00 0.00 C ATOM 810 CD2 LEU A 170 -10.396 -1.638 2.394 1.00 0.00 C ATOM 0 H LEU A 170 -12.108 -1.528 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.910 -1.305 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.381 -1.675 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.147 -3.361 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 170 -12.131 -2.886 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.168 -4.274 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.079 -4.908 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.555 -4.027 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -10.106 -1.869 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -9.502 -1.502 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -10.986 -0.722 2.382 1.00 0.00 H new ATOM 822 N GLN A 171 -10.134 -4.261 -1.594 1.00 0.00 N ATOM 823 CA GLN A 171 -9.367 -5.459 -1.918 1.00 0.00 C ATOM 824 C GLN A 171 -8.158 -5.127 -2.789 1.00 0.00 C ATOM 825 O GLN A 171 -7.073 -5.674 -2.591 1.00 0.00 O ATOM 826 CB GLN A 171 -10.256 -6.491 -2.619 1.00 0.00 C ATOM 827 CG GLN A 171 -10.866 -5.996 -3.920 1.00 0.00 C ATOM 828 CD GLN A 171 -11.704 -7.055 -4.610 1.00 0.00 C ATOM 829 OE1 GLN A 171 -12.984 -6.763 -4.805 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -11.205 -8.123 -4.965 1.00 0.00 N flip ATOM 0 H GLN A 171 -11.081 -4.249 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.002 -5.883 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -9.667 -7.385 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -11.058 -6.785 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -11.486 -5.122 -3.717 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -10.070 -5.674 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -10.216 -8.305 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -11.781 -8.825 -5.429 1.00 0.00 H new ATOM 839 N ASP A 172 -8.352 -4.233 -3.753 1.00 0.00 N ATOM 840 CA ASP A 172 -7.277 -3.834 -4.656 1.00 0.00 C ATOM 841 C ASP A 172 -6.132 -3.182 -3.885 1.00 0.00 C ATOM 842 O ASP A 172 -4.959 -3.471 -4.131 1.00 0.00 O ATOM 843 CB ASP A 172 -7.807 -2.867 -5.718 1.00 0.00 C ATOM 844 CG ASP A 172 -6.778 -2.556 -6.786 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.679 -3.148 -6.745 1.00 0.00 O ATOM 846 OD2 ASP A 172 -7.074 -1.726 -7.671 1.00 0.00 O ATOM 0 H ASP A 172 -9.244 -3.771 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.897 -4.730 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.693 -3.296 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -8.118 -1.940 -5.237 1.00 0.00 H new ATOM 851 N SER A 173 -6.481 -2.299 -2.954 1.00 0.00 N ATOM 852 CA SER A 173 -5.489 -1.599 -2.146 1.00 0.00 C ATOM 853 C SER A 173 -4.627 -2.584 -1.362 1.00 0.00 C ATOM 854 O SER A 173 -3.402 -2.455 -1.324 1.00 0.00 O ATOM 855 CB SER A 173 -6.177 -0.628 -1.184 1.00 0.00 C ATOM 856 OG SER A 173 -5.229 0.050 -0.378 1.00 0.00 O ATOM 0 H SER A 173 -7.447 -2.051 -2.740 1.00 0.00 H new ATOM 0 HA SER A 173 -4.842 -1.037 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 173 -6.762 0.097 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.875 -1.174 -0.549 1.00 0.00 H new ATOM 0 HG SER A 173 -5.685 0.729 0.162 1.00 0.00 H new ATOM 862 N LYS A 174 -5.271 -3.567 -0.742 1.00 0.00 N ATOM 863 CA LYS A 174 -4.560 -4.572 0.039 1.00 0.00 C ATOM 864 C LYS A 174 -3.545 -5.314 -0.824 1.00 0.00 C ATOM 865 O LYS A 174 -2.424 -5.577 -0.391 1.00 0.00 O ATOM 866 CB LYS A 174 -5.544 -5.568 0.654 1.00 0.00 C ATOM 867 CG LYS A 174 -6.490 -4.945 1.669 1.00 0.00 C ATOM 868 CD LYS A 174 -7.439 -5.980 2.257 1.00 0.00 C ATOM 869 CE LYS A 174 -6.687 -7.073 3.003 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.610 -8.096 3.569 1.00 0.00 N ATOM 0 H LYS A 174 -6.283 -3.689 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.027 -4.059 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.130 -6.025 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -4.983 -6.368 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -5.913 -4.483 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.066 -4.152 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.137 -5.490 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.032 -6.426 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -5.982 -7.555 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.102 -6.627 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -7.059 -8.822 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -8.267 -7.641 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -8.150 -8.540 2.799 1.00 0.00 H new ATOM 884 N THR A 175 -3.949 -5.650 -2.046 1.00 0.00 N ATOM 885 CA THR A 175 -3.075 -6.364 -2.971 1.00 0.00 C ATOM 886 C THR A 175 -1.772 -5.602 -3.189 1.00 0.00 C ATOM 887 O THR A 175 -0.687 -6.183 -3.129 1.00 0.00 O ATOM 888 CB THR A 175 -3.762 -6.589 -4.331 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.983 -7.317 -4.149 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.852 -7.357 -5.279 1.00 0.00 C ATOM 0 H THR A 175 -4.875 -5.439 -2.418 1.00 0.00 H new ATOM 0 HA THR A 175 -2.856 -7.332 -2.521 1.00 0.00 H new ATOM 0 HB THR A 175 -3.978 -5.614 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.632 -6.754 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.360 -7.503 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.934 -6.792 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.610 -8.327 -4.845 1.00 0.00 H new ATOM 898 N LYS A 176 -1.885 -4.302 -3.438 1.00 0.00 N ATOM 899 CA LYS A 176 -0.714 -3.462 -3.659 1.00 0.00 C ATOM 900 C LYS A 176 0.189 -3.447 -2.432 1.00 0.00 C ATOM 901 O LYS A 176 1.412 -3.471 -2.550 1.00 0.00 O ATOM 902 CB LYS A 176 -1.132 -2.033 -4.007 1.00 0.00 C ATOM 903 CG LYS A 176 -1.830 -1.906 -5.350 1.00 0.00 C ATOM 904 CD LYS A 176 -2.187 -0.460 -5.655 1.00 0.00 C ATOM 905 CE LYS A 176 -2.780 -0.312 -7.046 1.00 0.00 C ATOM 906 NZ LYS A 176 -4.031 -1.103 -7.203 1.00 0.00 N ATOM 0 H LYS A 176 -2.775 -3.807 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.159 -3.885 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.795 -1.659 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.248 -1.396 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.184 -2.296 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.735 -2.514 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -2.900 -0.097 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -1.295 0.161 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -2.989 0.740 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.050 -0.636 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -4.376 -1.016 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -3.838 -2.103 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -4.754 -0.744 -6.547 1.00 0.00 H new ATOM 920 N ILE A 177 -0.418 -3.401 -1.254 1.00 0.00 N ATOM 921 CA ILE A 177 0.336 -3.378 -0.009 1.00 0.00 C ATOM 922 C ILE A 177 1.158 -4.651 0.168 1.00 0.00 C ATOM 923 O ILE A 177 2.309 -4.600 0.601 1.00 0.00 O ATOM 924 CB ILE A 177 -0.593 -3.188 1.205 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.393 -1.893 1.044 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.213 -3.172 2.497 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.336 -1.599 2.191 1.00 0.00 C ATOM 0 H ILE A 177 -1.431 -3.379 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 177 1.017 -2.528 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.289 -4.025 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.698 -1.060 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.969 -1.947 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.460 -3.037 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.747 -4.116 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.930 -2.351 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -2.864 -0.665 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.058 -2.410 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.767 -1.510 3.116 1.00 0.00 H new ATOM 939 N ASP A 178 0.562 -5.792 -0.167 1.00 0.00 N ATOM 940 CA ASP A 178 1.245 -7.077 -0.040 1.00 0.00 C ATOM 941 C ASP A 178 2.504 -7.126 -0.904 1.00 0.00 C ATOM 942 O ASP A 178 3.585 -7.470 -0.421 1.00 0.00 O ATOM 943 CB ASP A 178 0.305 -8.220 -0.429 1.00 0.00 C ATOM 944 CG ASP A 178 -0.918 -8.298 0.463 1.00 0.00 C ATOM 945 OD1 ASP A 178 -0.748 -8.451 1.691 1.00 0.00 O ATOM 946 OD2 ASP A 178 -2.046 -8.208 -0.067 1.00 0.00 O ATOM 0 H ASP A 178 -0.390 -5.854 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 178 1.541 -7.193 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.012 -8.089 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.847 -9.164 -0.379 1.00 0.00 H new ATOM 951 N ILE A 179 2.358 -6.789 -2.183 1.00 0.00 N ATOM 952 CA ILE A 179 3.488 -6.806 -3.106 1.00 0.00 C ATOM 953 C ILE A 179 4.562 -5.801 -2.695 1.00 0.00 C ATOM 954 O ILE A 179 5.755 -6.093 -2.780 1.00 0.00 O ATOM 955 CB ILE A 179 3.048 -6.535 -4.560 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.331 -5.187 -4.667 1.00 0.00 C ATOM 957 CG2 ILE A 179 2.150 -7.661 -5.052 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.925 -4.824 -6.081 1.00 0.00 C ATOM 0 H ILE A 179 1.473 -6.502 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 179 3.911 -7.809 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 179 3.936 -6.495 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 179 1.442 -5.207 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 179 2.983 -4.407 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 179 1.845 -7.461 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 179 2.695 -8.604 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 179 1.266 -7.726 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.423 -3.857 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 179 2.812 -4.770 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.248 -5.583 -6.471 1.00 0.00 H new ATOM 970 N ILE A 180 4.139 -4.621 -2.243 1.00 0.00 N ATOM 971 CA ILE A 180 5.083 -3.591 -1.815 1.00 0.00 C ATOM 972 C ILE A 180 5.944 -4.091 -0.660 1.00 0.00 C ATOM 973 O ILE A 180 7.160 -3.906 -0.660 1.00 0.00 O ATOM 974 CB ILE A 180 4.369 -2.288 -1.394 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.719 -1.621 -2.609 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.351 -1.336 -0.721 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.984 -0.338 -2.281 1.00 0.00 C ATOM 0 H ILE A 180 3.157 -4.356 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 180 5.717 -3.371 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 180 3.586 -2.536 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.489 -1.408 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.021 -2.322 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.831 -0.423 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.770 -1.812 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.154 -1.091 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.550 0.076 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.190 -0.547 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.681 0.381 -1.852 1.00 0.00 H new ATOM 989 N ARG A 181 5.307 -4.728 0.321 1.00 0.00 N ATOM 990 CA ARG A 181 6.025 -5.257 1.475 1.00 0.00 C ATOM 991 C ARG A 181 7.124 -6.210 1.023 1.00 0.00 C ATOM 992 O ARG A 181 8.251 -6.154 1.516 1.00 0.00 O ATOM 993 CB ARG A 181 5.066 -5.977 2.426 1.00 0.00 C ATOM 994 CG ARG A 181 4.017 -5.069 3.049 1.00 0.00 C ATOM 995 CD ARG A 181 4.649 -3.965 3.882 1.00 0.00 C ATOM 996 NE ARG A 181 5.489 -4.497 4.951 1.00 0.00 N ATOM 997 CZ ARG A 181 6.136 -3.734 5.829 1.00 0.00 C ATOM 998 NH1 ARG A 181 6.029 -2.413 5.771 1.00 0.00 N ATOM 999 NH2 ARG A 181 6.889 -4.292 6.768 1.00 0.00 N ATOM 0 H ARG A 181 4.300 -4.889 0.339 1.00 0.00 H new ATOM 0 HA ARG A 181 6.478 -4.421 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 181 4.563 -6.777 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 181 5.644 -6.447 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 181 3.406 -4.626 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 181 3.350 -5.661 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 181 5.248 -3.322 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.865 -3.343 4.313 1.00 0.00 H new ATOM 0 HE ARG A 181 5.585 -5.509 5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 181 5.450 -1.979 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 181 6.526 -1.831 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 181 6.973 -5.307 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 181 7.384 -3.706 7.440 1.00 0.00 H new ATOM 1013 N MET A 182 6.789 -7.079 0.072 1.00 0.00 N ATOM 1014 CA MET A 182 7.752 -8.036 -0.459 1.00 0.00 C ATOM 1015 C MET A 182 8.946 -7.308 -1.065 1.00 0.00 C ATOM 1016 O MET A 182 10.092 -7.726 -0.898 1.00 0.00 O ATOM 1017 CB MET A 182 7.090 -8.934 -1.505 1.00 0.00 C ATOM 1018 CG MET A 182 8.039 -9.945 -2.127 1.00 0.00 C ATOM 1019 SD MET A 182 7.192 -11.120 -3.201 1.00 0.00 S ATOM 1020 CE MET A 182 6.080 -11.899 -2.032 1.00 0.00 C ATOM 0 H MET A 182 5.860 -7.139 -0.345 1.00 0.00 H new ATOM 0 HA MET A 182 8.106 -8.661 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.259 -9.466 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 182 6.669 -8.310 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 182 8.801 -9.418 -2.701 1.00 0.00 H new ATOM 0 HG3 MET A 182 8.555 -10.488 -1.336 1.00 0.00 H new ATOM 0 HE1 MET A 182 6.164 -12.982 -2.116 1.00 0.00 H new ATOM 0 HE2 MET A 182 6.343 -11.592 -1.020 1.00 0.00 H new ATOM 0 HE3 MET A 182 5.055 -11.597 -2.248 1.00 0.00 H new ATOM 1030 N GLN A 183 8.668 -6.209 -1.761 1.00 0.00 N ATOM 1031 CA GLN A 183 9.717 -5.412 -2.383 1.00 0.00 C ATOM 1032 C GLN A 183 10.676 -4.883 -1.324 1.00 0.00 C ATOM 1033 O GLN A 183 11.885 -4.821 -1.544 1.00 0.00 O ATOM 1034 CB GLN A 183 9.112 -4.245 -3.165 1.00 0.00 C ATOM 1035 CG GLN A 183 8.183 -4.676 -4.288 1.00 0.00 C ATOM 1036 CD GLN A 183 8.878 -5.544 -5.319 1.00 0.00 C ATOM 1037 OE1 GLN A 183 9.851 -5.125 -5.946 1.00 0.00 O ATOM 1038 NE2 GLN A 183 8.381 -6.762 -5.498 1.00 0.00 N ATOM 0 H GLN A 183 7.724 -5.851 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 183 10.267 -6.050 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.561 -3.605 -2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.919 -3.643 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 183 7.340 -5.223 -3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.776 -3.791 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 183 7.573 -7.068 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 183 8.807 -7.392 -6.177 1.00 0.00 H new ATOM 1047 N LEU A 184 10.125 -4.500 -0.176 1.00 0.00 N ATOM 1048 CA LEU A 184 10.925 -3.973 0.923 1.00 0.00 C ATOM 1049 C LEU A 184 11.936 -5.010 1.381 1.00 0.00 C ATOM 1050 O LEU A 184 13.104 -4.699 1.619 1.00 0.00 O ATOM 1051 CB LEU A 184 10.026 -3.572 2.097 1.00 0.00 C ATOM 1052 CG LEU A 184 8.757 -2.808 1.711 1.00 0.00 C ATOM 1053 CD1 LEU A 184 8.119 -2.171 2.934 1.00 0.00 C ATOM 1054 CD2 LEU A 184 9.069 -1.762 0.656 1.00 0.00 C ATOM 0 H LEU A 184 9.124 -4.545 0.017 1.00 0.00 H new ATOM 0 HA LEU A 184 11.456 -3.089 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 184 9.738 -4.473 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.606 -2.958 2.786 1.00 0.00 H new ATOM 0 HG LEU A 184 8.043 -3.516 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 184 7.219 -1.633 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 184 7.857 -2.947 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 184 8.823 -1.475 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 184 8.156 -1.228 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.802 -1.057 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 184 9.473 -2.249 -0.231 1.00 0.00 H new ATOM 1066 N ARG A 185 11.474 -6.247 1.496 1.00 0.00 N ATOM 1067 CA ARG A 185 12.331 -7.348 1.919 1.00 0.00 C ATOM 1068 C ARG A 185 13.535 -7.465 0.989 1.00 0.00 C ATOM 1069 O ARG A 185 14.673 -7.590 1.440 1.00 0.00 O ATOM 1070 CB ARG A 185 11.552 -8.664 1.935 1.00 0.00 C ATOM 1071 CG ARG A 185 10.312 -8.629 2.814 1.00 0.00 C ATOM 1072 CD ARG A 185 9.674 -10.003 2.936 1.00 0.00 C ATOM 1073 NE ARG A 185 9.335 -10.570 1.633 1.00 0.00 N ATOM 1074 CZ ARG A 185 8.764 -11.760 1.473 1.00 0.00 C ATOM 1075 NH1 ARG A 185 8.457 -12.500 2.530 1.00 0.00 N ATOM 1076 NH2 ARG A 185 8.497 -12.209 0.255 1.00 0.00 N ATOM 0 H ARG A 185 10.509 -6.515 1.302 1.00 0.00 H new ATOM 0 HA ARG A 185 12.681 -7.141 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.257 -8.914 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 185 12.210 -9.461 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 185 10.578 -8.261 3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.589 -7.927 2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 185 10.357 -10.674 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 185 8.773 -9.931 3.545 1.00 0.00 H new ATOM 0 HE ARG A 185 9.548 -10.022 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 185 8.659 -12.157 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 185 8.019 -13.412 2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 185 8.730 -11.642 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 185 8.059 -13.122 0.133 1.00 0.00 H new ATOM 1090 N ARG A 186 13.272 -7.409 -0.314 1.00 0.00 N ATOM 1091 CA ARG A 186 14.329 -7.494 -1.314 1.00 0.00 C ATOM 1092 C ARG A 186 15.253 -6.284 -1.215 1.00 0.00 C ATOM 1093 O ARG A 186 16.469 -6.404 -1.361 1.00 0.00 O ATOM 1094 CB ARG A 186 13.724 -7.580 -2.718 1.00 0.00 C ATOM 1095 CG ARG A 186 12.837 -8.797 -2.929 1.00 0.00 C ATOM 1096 CD ARG A 186 13.622 -10.093 -2.790 1.00 0.00 C ATOM 1097 NE ARG A 186 12.779 -11.272 -2.978 1.00 0.00 N ATOM 1098 CZ ARG A 186 12.158 -11.566 -4.116 1.00 0.00 C ATOM 1099 NH1 ARG A 186 12.297 -10.782 -5.177 1.00 0.00 N ATOM 1100 NH2 ARG A 186 11.401 -12.651 -4.197 1.00 0.00 N ATOM 0 H ARG A 186 12.334 -7.305 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 186 14.912 -8.395 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.141 -6.679 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 186 14.531 -7.598 -3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 186 12.023 -8.785 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 186 12.383 -8.750 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 186 14.430 -10.106 -3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 186 14.084 -10.132 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 186 12.660 -11.907 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 186 12.883 -9.949 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 186 11.818 -11.012 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 186 11.295 -13.261 -3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 186 10.925 -12.876 -5.070 1.00 0.00 H new ATOM 1114 N ALA A 187 14.660 -5.121 -0.962 1.00 0.00 N ATOM 1115 CA ALA A 187 15.417 -3.881 -0.836 1.00 0.00 C ATOM 1116 C ALA A 187 16.442 -3.980 0.288 1.00 0.00 C ATOM 1117 O ALA A 187 17.568 -3.497 0.160 1.00 0.00 O ATOM 1118 CB ALA A 187 14.472 -2.710 -0.593 1.00 0.00 C ATOM 0 H ALA A 187 13.653 -5.012 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 187 15.954 -3.712 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.049 -1.790 -0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.779 -2.622 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.911 -2.880 0.326 1.00 0.00 H new