USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 MET CE :methyl 167:sc= -1.29 (180deg=-1.53) USER MOD Set 1.2: A 152 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 133 LYS NZ :NH3+ 132:sc= -0.107 (180deg=-0.204) USER MOD Set 2.2: A 134 GLN :FLIP amide:sc= -0.291 F(o=-6.9!,f=-0.4) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -174:sc= 0.223 (180deg=0.145) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.0641 F(o=-3!,f=-0.064) USER MOD Single : A 150 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.093) USER MOD Single : A 151 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 67:sc= 0.437 USER MOD Single : A 167 GLN : amide:sc= -2.37! C(o=-2.4!,f=-7.6!) USER MOD Single : A 168 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.073) USER MOD Single : A 169 MET CE :methyl 159:sc= -0.294 (180deg=-0.941) USER MOD Single : A 171 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 173 SER OG : rot 75:sc= 0.6 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 THR OG1 : rot 74:sc= 0.139 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 MET CE :methyl 158:sc= -0.24 (180deg=-0.984) USER MOD Single : A 183 GLN : amide:sc= -0.955 K(o=-0.96,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.126 5.668 -1.114 1.00 0.00 N ATOM 112 CA ARG A 127 14.416 4.398 -1.224 1.00 0.00 C ATOM 113 C ARG A 127 13.490 4.181 -0.029 1.00 0.00 C ATOM 114 O ARG A 127 12.334 3.793 -0.191 1.00 0.00 O ATOM 115 CB ARG A 127 15.414 3.242 -1.330 1.00 0.00 C ATOM 116 CG ARG A 127 14.755 1.878 -1.471 1.00 0.00 C ATOM 117 CD ARG A 127 15.778 0.753 -1.596 1.00 0.00 C ATOM 118 NE ARG A 127 16.587 0.589 -0.387 1.00 0.00 N ATOM 119 CZ ARG A 127 17.663 1.320 -0.103 1.00 0.00 C ATOM 120 NH1 ARG A 127 18.113 2.219 -0.970 1.00 0.00 N ATOM 121 NH2 ARG A 127 18.306 1.136 1.042 1.00 0.00 N ATOM 0 HA ARG A 127 13.806 4.429 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.064 3.412 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 127 16.049 3.239 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.118 1.693 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.108 1.878 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.260 -0.182 -1.811 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.434 0.956 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 127 16.309 -0.131 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.634 2.353 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.938 2.775 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.976 0.435 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 127 19.130 1.696 1.260 1.00 0.00 H new ATOM 135 N VAL A 128 14.010 4.429 1.169 1.00 0.00 N ATOM 136 CA VAL A 128 13.235 4.257 2.394 1.00 0.00 C ATOM 137 C VAL A 128 11.988 5.135 2.392 1.00 0.00 C ATOM 138 O VAL A 128 10.882 4.658 2.651 1.00 0.00 O ATOM 139 CB VAL A 128 14.080 4.590 3.640 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.223 4.552 4.897 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.255 3.632 3.759 1.00 0.00 C ATOM 0 H VAL A 128 14.966 4.750 1.318 1.00 0.00 H new ATOM 0 HA VAL A 128 12.934 3.210 2.431 1.00 0.00 H new ATOM 0 HB VAL A 128 14.473 5.601 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 128 13.839 4.790 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.419 5.283 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.797 3.556 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.840 3.882 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.884 2.611 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.884 3.716 2.873 1.00 0.00 H new ATOM 151 N ALA A 129 12.174 6.418 2.105 1.00 0.00 N ATOM 152 CA ALA A 129 11.068 7.365 2.076 1.00 0.00 C ATOM 153 C ALA A 129 10.014 6.953 1.055 1.00 0.00 C ATOM 154 O ALA A 129 8.816 7.069 1.307 1.00 0.00 O ATOM 155 CB ALA A 129 11.584 8.764 1.779 1.00 0.00 C ATOM 0 H ALA A 129 13.083 6.826 1.889 1.00 0.00 H new ATOM 0 HA ALA A 129 10.595 7.366 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.748 9.464 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.290 9.063 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.084 8.769 0.810 1.00 0.00 H new ATOM 161 N GLY A 130 10.469 6.469 -0.097 1.00 0.00 N ATOM 162 CA GLY A 130 9.550 6.044 -1.136 1.00 0.00 C ATOM 163 C GLY A 130 8.651 4.910 -0.682 1.00 0.00 C ATOM 164 O GLY A 130 7.446 4.920 -0.933 1.00 0.00 O ATOM 0 H GLY A 130 11.457 6.364 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.936 6.891 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.117 5.727 -2.012 1.00 0.00 H new ATOM 168 N LEU A 131 9.241 3.928 -0.009 1.00 0.00 N ATOM 169 CA LEU A 131 8.491 2.780 0.486 1.00 0.00 C ATOM 170 C LEU A 131 7.512 3.200 1.579 1.00 0.00 C ATOM 171 O LEU A 131 6.367 2.745 1.612 1.00 0.00 O ATOM 172 CB LEU A 131 9.453 1.718 1.028 1.00 0.00 C ATOM 173 CG LEU A 131 10.522 1.235 0.044 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.463 0.250 0.719 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.880 0.601 -1.181 1.00 0.00 C ATOM 0 H LEU A 131 10.238 3.904 0.206 1.00 0.00 H new ATOM 0 HA LEU A 131 7.922 2.360 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.951 2.120 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.870 0.857 1.356 1.00 0.00 H new ATOM 0 HG LEU A 131 11.101 2.100 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.216 -0.082 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.953 0.735 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.896 -0.610 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.658 0.265 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.274 -0.251 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.248 1.335 -1.681 1.00 0.00 H new ATOM 187 N GLU A 132 7.977 4.062 2.479 1.00 0.00 N ATOM 188 CA GLU A 132 7.157 4.540 3.588 1.00 0.00 C ATOM 189 C GLU A 132 5.941 5.325 3.101 1.00 0.00 C ATOM 190 O GLU A 132 4.822 5.085 3.555 1.00 0.00 O ATOM 191 CB GLU A 132 7.992 5.413 4.527 1.00 0.00 C ATOM 192 CG GLU A 132 9.142 4.669 5.187 1.00 0.00 C ATOM 193 CD GLU A 132 9.953 5.556 6.111 1.00 0.00 C ATOM 194 OE1 GLU A 132 10.521 6.558 5.626 1.00 0.00 O ATOM 195 OE2 GLU A 132 10.021 5.249 7.320 1.00 0.00 O ATOM 0 H GLU A 132 8.922 4.445 2.461 1.00 0.00 H new ATOM 0 HA GLU A 132 6.797 3.663 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.391 6.258 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.343 5.823 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.747 3.825 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.795 4.259 4.417 1.00 0.00 H new ATOM 202 N LYS A 133 6.162 6.269 2.190 1.00 0.00 N ATOM 203 CA LYS A 133 5.069 7.086 1.669 1.00 0.00 C ATOM 204 C LYS A 133 4.007 6.218 1.003 1.00 0.00 C ATOM 205 O LYS A 133 2.810 6.459 1.165 1.00 0.00 O ATOM 206 CB LYS A 133 5.588 8.143 0.689 1.00 0.00 C ATOM 207 CG LYS A 133 6.200 7.572 -0.580 1.00 0.00 C ATOM 208 CD LYS A 133 6.672 8.680 -1.510 1.00 0.00 C ATOM 209 CE LYS A 133 7.277 8.121 -2.787 1.00 0.00 C ATOM 210 NZ LYS A 133 6.292 7.325 -3.570 1.00 0.00 N ATOM 0 H LYS A 133 7.079 6.486 1.800 1.00 0.00 H new ATOM 0 HA LYS A 133 4.611 7.601 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.765 8.804 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.334 8.755 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.040 6.927 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.466 6.951 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.832 9.329 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.410 9.296 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.650 8.941 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.133 7.494 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 6.319 7.623 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.531 6.315 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.337 7.481 -3.188 1.00 0.00 H new ATOM 224 N GLN A 134 4.445 5.205 0.260 1.00 0.00 N ATOM 225 CA GLN A 134 3.521 4.301 -0.418 1.00 0.00 C ATOM 226 C GLN A 134 2.586 3.632 0.583 1.00 0.00 C ATOM 227 O GLN A 134 1.379 3.543 0.357 1.00 0.00 O ATOM 228 CB GLN A 134 4.289 3.240 -1.207 1.00 0.00 C ATOM 229 CG GLN A 134 4.972 3.783 -2.451 1.00 0.00 C ATOM 230 CD GLN A 134 3.980 4.285 -3.483 1.00 0.00 C ATOM 231 OE1 GLN A 134 4.051 5.572 -3.797 1.00 0.00 O flip ATOM 232 NE2 GLN A 134 3.157 3.524 -3.992 1.00 0.00 N flip ATOM 0 H GLN A 134 5.431 4.990 0.113 1.00 0.00 H new ATOM 0 HA GLN A 134 2.922 4.890 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.040 2.789 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.601 2.446 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.641 4.596 -2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.589 3.001 -2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 134 3.137 2.541 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 134 2.496 3.877 -4.684 1.00 0.00 H new ATOM 241 N LEU A 135 3.150 3.165 1.694 1.00 0.00 N ATOM 242 CA LEU A 135 2.369 2.508 2.731 1.00 0.00 C ATOM 243 C LEU A 135 1.306 3.444 3.295 1.00 0.00 C ATOM 244 O LEU A 135 0.155 3.051 3.483 1.00 0.00 O ATOM 245 CB LEU A 135 3.290 2.031 3.855 1.00 0.00 C ATOM 246 CG LEU A 135 4.310 0.964 3.453 1.00 0.00 C ATOM 247 CD1 LEU A 135 5.231 0.645 4.620 1.00 0.00 C ATOM 248 CD2 LEU A 135 3.603 -0.296 2.971 1.00 0.00 C ATOM 0 H LEU A 135 4.147 3.231 1.897 1.00 0.00 H new ATOM 0 HA LEU A 135 1.866 1.650 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.827 2.892 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.675 1.637 4.664 1.00 0.00 H new ATOM 0 HG LEU A 135 4.913 1.354 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 135 5.951 -0.116 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.762 1.548 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.641 0.274 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.344 -1.044 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 135 2.976 -0.690 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.982 -0.057 2.107 1.00 0.00 H new ATOM 260 N ALA A 136 1.703 4.683 3.563 1.00 0.00 N ATOM 261 CA ALA A 136 0.790 5.681 4.108 1.00 0.00 C ATOM 262 C ALA A 136 -0.371 5.948 3.157 1.00 0.00 C ATOM 263 O ALA A 136 -1.527 6.010 3.576 1.00 0.00 O ATOM 264 CB ALA A 136 1.539 6.971 4.403 1.00 0.00 C ATOM 0 H ALA A 136 2.653 5.021 3.411 1.00 0.00 H new ATOM 0 HA ALA A 136 0.377 5.289 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.847 7.709 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.329 6.776 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.979 7.355 3.483 1.00 0.00 H new ATOM 270 N ILE A 137 -0.055 6.106 1.876 1.00 0.00 N ATOM 271 CA ILE A 137 -1.068 6.369 0.862 1.00 0.00 C ATOM 272 C ILE A 137 -2.091 5.238 0.802 1.00 0.00 C ATOM 273 O ILE A 137 -3.292 5.480 0.688 1.00 0.00 O ATOM 274 CB ILE A 137 -0.431 6.552 -0.531 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.571 7.710 -0.504 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.506 6.795 -1.582 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.328 7.892 -1.803 1.00 0.00 C ATOM 0 H ILE A 137 0.898 6.056 1.515 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.572 7.293 1.146 1.00 0.00 H new ATOM 0 HB ILE A 137 0.102 5.638 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 137 0.040 8.633 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.285 7.542 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.038 6.922 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.184 5.942 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.066 7.695 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 137 2.018 8.730 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.888 6.984 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.623 8.093 -2.610 1.00 0.00 H new ATOM 289 N GLU A 138 -1.603 4.004 0.877 1.00 0.00 N ATOM 290 CA GLU A 138 -2.471 2.833 0.831 1.00 0.00 C ATOM 291 C GLU A 138 -3.437 2.811 2.010 1.00 0.00 C ATOM 292 O GLU A 138 -4.610 2.480 1.854 1.00 0.00 O ATOM 293 CB GLU A 138 -1.637 1.552 0.825 1.00 0.00 C ATOM 294 CG GLU A 138 -0.730 1.419 -0.385 1.00 0.00 C ATOM 295 CD GLU A 138 -1.500 1.393 -1.692 1.00 0.00 C ATOM 296 OE1 GLU A 138 -2.331 0.479 -1.872 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.273 2.287 -2.533 1.00 0.00 O ATOM 0 H GLU A 138 -0.610 3.789 0.970 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.053 2.890 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.029 1.521 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.307 0.693 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.025 2.251 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -0.143 0.505 -0.295 1.00 0.00 H new ATOM 304 N LEU A 139 -2.934 3.155 3.191 1.00 0.00 N ATOM 305 CA LEU A 139 -3.753 3.166 4.399 1.00 0.00 C ATOM 306 C LEU A 139 -4.921 4.139 4.270 1.00 0.00 C ATOM 307 O LEU A 139 -6.031 3.848 4.712 1.00 0.00 O ATOM 308 CB LEU A 139 -2.900 3.535 5.615 1.00 0.00 C ATOM 309 CG LEU A 139 -1.771 2.552 5.938 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.941 3.063 7.105 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.335 1.173 6.247 1.00 0.00 C ATOM 0 H LEU A 139 -1.963 3.430 3.338 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.159 2.164 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.466 4.521 5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.551 3.615 6.485 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.125 2.470 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.143 2.353 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.507 4.029 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.577 3.173 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.518 0.488 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.004 1.237 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.888 0.804 5.383 1.00 0.00 H new ATOM 323 N LYS A 140 -4.663 5.297 3.673 1.00 0.00 N ATOM 324 CA LYS A 140 -5.696 6.312 3.498 1.00 0.00 C ATOM 325 C LYS A 140 -6.821 5.811 2.594 1.00 0.00 C ATOM 326 O LYS A 140 -8.000 5.939 2.928 1.00 0.00 O ATOM 327 CB LYS A 140 -5.087 7.589 2.915 1.00 0.00 C ATOM 328 CG LYS A 140 -6.090 8.716 2.738 1.00 0.00 C ATOM 329 CD LYS A 140 -5.428 9.962 2.174 1.00 0.00 C ATOM 330 CE LYS A 140 -6.426 11.096 2.009 1.00 0.00 C ATOM 331 NZ LYS A 140 -5.784 12.325 1.465 1.00 0.00 N ATOM 0 H LYS A 140 -3.749 5.556 3.302 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.121 6.529 4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.283 7.929 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.638 7.359 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.889 8.393 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.551 8.949 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.622 10.279 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.976 9.730 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.228 10.780 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.883 11.321 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -6.498 13.075 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.035 12.642 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.370 12.117 0.534 1.00 0.00 H new ATOM 345 N VAL A 141 -6.452 5.248 1.448 1.00 0.00 N ATOM 346 CA VAL A 141 -7.432 4.736 0.494 1.00 0.00 C ATOM 347 C VAL A 141 -8.166 3.516 1.044 1.00 0.00 C ATOM 348 O VAL A 141 -9.392 3.429 0.964 1.00 0.00 O ATOM 349 CB VAL A 141 -6.767 4.358 -0.843 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.810 3.886 -1.845 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.976 5.532 -1.399 1.00 0.00 C ATOM 0 H VAL A 141 -5.481 5.134 1.156 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.151 5.538 0.326 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.073 3.537 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.321 3.624 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.326 3.012 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.531 4.684 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.514 5.245 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.646 6.376 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.201 5.818 -0.688 1.00 0.00 H new ATOM 361 N LYS A 142 -7.407 2.573 1.592 1.00 0.00 N ATOM 362 CA LYS A 142 -7.976 1.350 2.147 1.00 0.00 C ATOM 363 C LYS A 142 -8.964 1.663 3.266 1.00 0.00 C ATOM 364 O LYS A 142 -10.066 1.116 3.302 1.00 0.00 O ATOM 365 CB LYS A 142 -6.860 0.442 2.667 1.00 0.00 C ATOM 366 CG LYS A 142 -7.354 -0.891 3.208 1.00 0.00 C ATOM 367 CD LYS A 142 -6.198 -1.767 3.664 1.00 0.00 C ATOM 368 CE LYS A 142 -6.688 -3.097 4.213 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.563 -2.918 5.405 1.00 0.00 N ATOM 0 H LYS A 142 -6.391 2.633 1.664 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.516 0.834 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.151 0.256 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.317 0.964 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.033 -0.718 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.924 -1.410 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.523 -1.945 2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.625 -1.245 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -7.237 -3.630 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.832 -3.717 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -7.793 -3.848 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.067 -2.344 6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.441 -2.437 5.122 1.00 0.00 H new ATOM 383 N GLN A 143 -8.565 2.548 4.175 1.00 0.00 N ATOM 384 CA GLN A 143 -9.420 2.934 5.291 1.00 0.00 C ATOM 385 C GLN A 143 -10.697 3.595 4.786 1.00 0.00 C ATOM 386 O GLN A 143 -11.796 3.268 5.235 1.00 0.00 O ATOM 387 CB GLN A 143 -8.674 3.881 6.231 1.00 0.00 C ATOM 388 CG GLN A 143 -9.470 4.265 7.468 1.00 0.00 C ATOM 389 CD GLN A 143 -8.699 5.182 8.396 1.00 0.00 C ATOM 390 OE1 GLN A 143 -8.320 6.291 8.018 1.00 0.00 O ATOM 391 NE2 GLN A 143 -8.460 4.722 9.619 1.00 0.00 N ATOM 0 H GLN A 143 -7.656 3.010 4.160 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.690 2.033 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.741 3.411 6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.408 4.786 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.394 4.756 7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.753 3.362 8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.793 3.797 9.890 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.944 5.294 10.287 1.00 0.00 H new ATOM 400 N GLY A 144 -10.545 4.521 3.844 1.00 0.00 N ATOM 401 CA GLY A 144 -11.694 5.208 3.283 1.00 0.00 C ATOM 402 C GLY A 144 -12.653 4.251 2.612 1.00 0.00 C ATOM 403 O GLY A 144 -13.869 4.439 2.662 1.00 0.00 O ATOM 0 H GLY A 144 -9.645 4.808 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.215 5.749 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.356 5.949 2.559 1.00 0.00 H new ATOM 407 N ALA A 145 -12.103 3.215 1.989 1.00 0.00 N ATOM 408 CA ALA A 145 -12.908 2.212 1.311 1.00 0.00 C ATOM 409 C ALA A 145 -13.746 1.446 2.319 1.00 0.00 C ATOM 410 O ALA A 145 -14.913 1.151 2.074 1.00 0.00 O ATOM 411 CB ALA A 145 -12.019 1.263 0.523 1.00 0.00 C ATOM 0 H ALA A 145 -11.098 3.049 1.941 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.578 2.713 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.637 0.518 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.454 1.826 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.328 0.764 1.202 1.00 0.00 H new ATOM 417 N GLU A 146 -13.140 1.137 3.460 1.00 0.00 N ATOM 418 CA GLU A 146 -13.829 0.411 4.520 1.00 0.00 C ATOM 419 C GLU A 146 -15.044 1.194 5.002 1.00 0.00 C ATOM 420 O GLU A 146 -16.112 0.628 5.225 1.00 0.00 O ATOM 421 CB GLU A 146 -12.884 0.149 5.694 1.00 0.00 C ATOM 422 CG GLU A 146 -11.672 -0.691 5.330 1.00 0.00 C ATOM 423 CD GLU A 146 -10.761 -0.945 6.516 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.081 -0.466 7.625 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.729 -1.623 6.337 1.00 0.00 O ATOM 0 H GLU A 146 -12.172 1.378 3.674 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.162 -0.544 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.545 1.104 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.437 -0.353 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.005 -1.645 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.108 -0.188 4.545 1.00 0.00 H new ATOM 432 N ASN A 147 -14.870 2.501 5.157 1.00 0.00 N ATOM 433 CA ASN A 147 -15.949 3.370 5.609 1.00 0.00 C ATOM 434 C ASN A 147 -17.133 3.310 4.648 1.00 0.00 C ATOM 435 O ASN A 147 -18.284 3.193 5.069 1.00 0.00 O ATOM 436 CB ASN A 147 -15.446 4.810 5.734 1.00 0.00 C ATOM 437 CG ASN A 147 -14.350 4.953 6.771 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.188 5.438 6.342 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -14.543 4.636 7.945 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.990 2.983 4.976 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.283 3.022 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -15.073 5.147 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -16.279 5.461 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -15.450 4.268 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -13.796 4.742 8.631 1.00 0.00 H new ATOM 446 N MET A 148 -16.838 3.393 3.353 1.00 0.00 N ATOM 447 CA MET A 148 -17.872 3.351 2.324 1.00 0.00 C ATOM 448 C MET A 148 -18.531 1.974 2.257 1.00 0.00 C ATOM 449 O MET A 148 -19.750 1.865 2.155 1.00 0.00 O ATOM 450 CB MET A 148 -17.273 3.705 0.961 1.00 0.00 C ATOM 451 CG MET A 148 -16.538 5.037 0.943 1.00 0.00 C ATOM 452 SD MET A 148 -17.608 6.432 1.343 1.00 0.00 S ATOM 453 CE MET A 148 -18.769 6.372 -0.020 1.00 0.00 C ATOM 0 H MET A 148 -15.889 3.490 2.991 1.00 0.00 H new ATOM 0 HA MET A 148 -18.636 4.083 2.586 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.584 2.916 0.661 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.071 3.730 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.714 5.001 1.655 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.100 5.192 -0.043 1.00 0.00 H new ATOM 0 HE1 MET A 148 -19.621 7.015 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.279 6.717 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 148 -19.114 5.347 -0.159 1.00 0.00 H new ATOM 463 N ILE A 149 -17.712 0.928 2.303 1.00 0.00 N ATOM 464 CA ILE A 149 -18.209 -0.442 2.237 1.00 0.00 C ATOM 465 C ILE A 149 -19.129 -0.765 3.411 1.00 0.00 C ATOM 466 O ILE A 149 -20.201 -1.336 3.225 1.00 0.00 O ATOM 467 CB ILE A 149 -17.047 -1.457 2.204 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.210 -1.259 0.938 1.00 0.00 C ATOM 469 CG2 ILE A 149 -17.579 -2.882 2.279 1.00 0.00 C ATOM 470 CD1 ILE A 149 -14.968 -2.121 0.886 1.00 0.00 C ATOM 0 H ILE A 149 -16.698 1.003 2.386 1.00 0.00 H new ATOM 0 HA ILE A 149 -18.781 -0.523 1.313 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.410 -1.287 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -16.828 -1.476 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -15.917 -0.211 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -16.745 -3.583 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.137 -3.014 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.236 -3.070 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.427 -1.925 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.327 -1.888 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.253 -3.172 0.924 1.00 0.00 H new ATOM 482 N GLN A 150 -18.704 -0.404 4.617 1.00 0.00 N ATOM 483 CA GLN A 150 -19.496 -0.664 5.815 1.00 0.00 C ATOM 484 C GLN A 150 -20.806 0.118 5.791 1.00 0.00 C ATOM 485 O GLN A 150 -21.862 -0.410 6.139 1.00 0.00 O ATOM 486 CB GLN A 150 -18.698 -0.308 7.071 1.00 0.00 C ATOM 487 CG GLN A 150 -17.455 -1.163 7.265 1.00 0.00 C ATOM 488 CD GLN A 150 -17.778 -2.636 7.416 1.00 0.00 C ATOM 489 OE1 GLN A 150 -18.500 -3.034 8.329 1.00 0.00 O ATOM 490 NE2 GLN A 150 -17.240 -3.455 6.518 1.00 0.00 N ATOM 0 H GLN A 150 -17.817 0.069 4.791 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.733 -1.728 5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.403 0.740 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.343 -0.415 7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -16.788 -1.027 6.414 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.917 -0.820 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -16.647 -3.081 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -17.420 -4.458 6.570 1.00 0.00 H new ATOM 499 N THR A 151 -20.730 1.381 5.383 1.00 0.00 N ATOM 500 CA THR A 151 -21.910 2.240 5.319 1.00 0.00 C ATOM 501 C THR A 151 -22.932 1.714 4.310 1.00 0.00 C ATOM 502 O THR A 151 -24.122 1.619 4.610 1.00 0.00 O ATOM 503 CB THR A 151 -21.524 3.683 4.938 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.649 4.233 5.930 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.758 4.563 4.801 1.00 0.00 C ATOM 0 H THR A 151 -19.864 1.834 5.091 1.00 0.00 H new ATOM 0 HA THR A 151 -22.359 2.235 6.312 1.00 0.00 H new ATOM 0 HB THR A 151 -21.014 3.653 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.745 3.877 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.455 5.575 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.408 4.160 4.024 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.296 4.585 5.749 1.00 0.00 H new ATOM 513 N TYR A 152 -22.458 1.392 3.112 1.00 0.00 N ATOM 514 CA TYR A 152 -23.322 0.891 2.044 1.00 0.00 C ATOM 515 C TYR A 152 -23.853 -0.509 2.347 1.00 0.00 C ATOM 516 O TYR A 152 -25.014 -0.811 2.073 1.00 0.00 O ATOM 517 CB TYR A 152 -22.560 0.882 0.713 1.00 0.00 C ATOM 518 CG TYR A 152 -22.287 2.262 0.142 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.019 3.349 0.968 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.292 2.472 -1.231 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.768 4.602 0.442 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.041 3.722 -1.763 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.780 4.782 -0.924 1.00 0.00 C ATOM 524 OH TYR A 152 -21.530 6.028 -1.452 1.00 0.00 O ATOM 0 H TYR A 152 -21.474 1.469 2.853 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.178 1.562 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -21.611 0.365 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.131 0.306 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -22.007 3.211 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.496 1.644 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.564 5.435 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.049 3.867 -2.833 1.00 0.00 H new ATOM 0 HH TYR A 152 -21.575 5.984 -2.430 1.00 0.00 H new ATOM 649 N LYS A 161 -24.707 -1.164 -7.221 1.00 0.00 N ATOM 650 CA LYS A 161 -23.662 -0.735 -8.144 1.00 0.00 C ATOM 651 C LYS A 161 -22.521 -0.063 -7.384 1.00 0.00 C ATOM 652 O LYS A 161 -21.352 -0.404 -7.566 1.00 0.00 O ATOM 653 CB LYS A 161 -24.234 0.224 -9.190 1.00 0.00 C ATOM 654 CG LYS A 161 -23.221 0.656 -10.240 1.00 0.00 C ATOM 655 CD LYS A 161 -23.834 1.611 -11.255 1.00 0.00 C ATOM 656 CE LYS A 161 -24.257 2.922 -10.608 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.852 3.862 -11.597 1.00 0.00 N ATOM 0 HA LYS A 161 -23.271 -1.616 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -25.078 -0.255 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.622 1.109 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -22.374 1.138 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -22.834 -0.223 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -23.113 1.812 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.699 1.140 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -24.980 2.720 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -23.393 3.390 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -25.127 4.743 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -24.153 4.075 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -25.692 3.426 -12.029 1.00 0.00 H new ATOM 671 N LEU A 162 -22.876 0.885 -6.523 1.00 0.00 N ATOM 672 CA LEU A 162 -21.891 1.598 -5.722 1.00 0.00 C ATOM 673 C LEU A 162 -21.172 0.639 -4.780 1.00 0.00 C ATOM 674 O LEU A 162 -19.977 0.788 -4.519 1.00 0.00 O ATOM 675 CB LEU A 162 -22.565 2.717 -4.925 1.00 0.00 C ATOM 676 CG LEU A 162 -23.252 3.793 -5.770 1.00 0.00 C ATOM 677 CD1 LEU A 162 -23.924 4.823 -4.876 1.00 0.00 C ATOM 678 CD2 LEU A 162 -22.251 4.465 -6.698 1.00 0.00 C ATOM 0 H LEU A 162 -23.840 1.177 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 162 -21.155 2.040 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -23.305 2.273 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.815 3.196 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 162 -24.017 3.314 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -24.407 5.580 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -24.671 4.332 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -23.176 5.296 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -22.758 5.227 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -21.462 4.931 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.814 3.720 -7.363 1.00 0.00 H new ATOM 690 N LEU A 163 -21.909 -0.349 -4.279 1.00 0.00 N ATOM 691 CA LEU A 163 -21.348 -1.345 -3.372 1.00 0.00 C ATOM 692 C LEU A 163 -20.127 -1.996 -4.007 1.00 0.00 C ATOM 693 O LEU A 163 -19.028 -1.954 -3.456 1.00 0.00 O ATOM 694 CB LEU A 163 -22.414 -2.403 -3.049 1.00 0.00 C ATOM 695 CG LEU A 163 -22.031 -3.474 -2.018 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.973 -4.422 -2.561 1.00 0.00 C ATOM 697 CD2 LEU A 163 -21.561 -2.828 -0.724 1.00 0.00 C ATOM 0 H LEU A 163 -22.899 -0.481 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 163 -21.039 -0.860 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.306 -1.889 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.687 -2.906 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 163 -22.923 -4.064 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.728 -5.166 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -21.355 -4.923 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -20.077 -3.858 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -21.294 -3.604 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -20.690 -2.204 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -22.361 -2.213 -0.313 1.00 0.00 H new ATOM 709 N LEU A 164 -20.336 -2.592 -5.176 1.00 0.00 N ATOM 710 CA LEU A 164 -19.260 -3.252 -5.905 1.00 0.00 C ATOM 711 C LEU A 164 -18.093 -2.294 -6.129 1.00 0.00 C ATOM 712 O LEU A 164 -16.931 -2.694 -6.076 1.00 0.00 O ATOM 713 CB LEU A 164 -19.772 -3.774 -7.250 1.00 0.00 C ATOM 714 CG LEU A 164 -20.916 -4.788 -7.163 1.00 0.00 C ATOM 715 CD1 LEU A 164 -21.389 -5.178 -8.554 1.00 0.00 C ATOM 716 CD2 LEU A 164 -20.481 -6.021 -6.384 1.00 0.00 C ATOM 0 H LEU A 164 -21.244 -2.631 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 164 -18.909 -4.093 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.105 -2.926 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -18.940 -4.234 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 164 -21.747 -4.322 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -22.202 -5.899 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -21.742 -4.291 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -20.563 -5.624 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -21.308 -6.730 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -19.633 -6.488 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.190 -5.730 -5.375 1.00 0.00 H new ATOM 728 N THR A 165 -18.416 -1.027 -6.382 1.00 0.00 N ATOM 729 CA THR A 165 -17.398 -0.008 -6.616 1.00 0.00 C ATOM 730 C THR A 165 -16.435 0.098 -5.435 1.00 0.00 C ATOM 731 O THR A 165 -15.216 0.068 -5.614 1.00 0.00 O ATOM 732 CB THR A 165 -18.036 1.370 -6.871 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.907 1.305 -8.007 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.970 2.429 -7.108 1.00 0.00 C ATOM 0 H THR A 165 -19.375 -0.683 -6.430 1.00 0.00 H new ATOM 0 HA THR A 165 -16.842 -0.315 -7.502 1.00 0.00 H new ATOM 0 HB THR A 165 -18.609 1.646 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.676 0.735 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 165 -17.448 3.393 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 165 -16.326 2.499 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.372 2.155 -7.977 1.00 0.00 H new ATOM 742 N ALA A 166 -16.984 0.217 -4.229 1.00 0.00 N ATOM 743 CA ALA A 166 -16.168 0.323 -3.025 1.00 0.00 C ATOM 744 C ALA A 166 -15.363 -0.953 -2.800 1.00 0.00 C ATOM 745 O ALA A 166 -14.189 -0.905 -2.433 1.00 0.00 O ATOM 746 CB ALA A 166 -17.042 0.626 -1.816 1.00 0.00 C ATOM 0 H ALA A 166 -17.990 0.242 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.466 1.146 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.418 0.702 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.566 1.569 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.769 -0.175 -1.682 1.00 0.00 H new ATOM 752 N GLN A 167 -16.007 -2.092 -3.032 1.00 0.00 N ATOM 753 CA GLN A 167 -15.367 -3.393 -2.870 1.00 0.00 C ATOM 754 C GLN A 167 -14.121 -3.484 -3.742 1.00 0.00 C ATOM 755 O GLN A 167 -13.067 -3.938 -3.295 1.00 0.00 O ATOM 756 CB GLN A 167 -16.347 -4.509 -3.241 1.00 0.00 C ATOM 757 CG GLN A 167 -17.603 -4.527 -2.383 1.00 0.00 C ATOM 758 CD GLN A 167 -17.337 -4.974 -0.959 1.00 0.00 C ATOM 759 OE1 GLN A 167 -16.528 -4.379 -0.250 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.022 -6.029 -0.534 1.00 0.00 N ATOM 0 H GLN A 167 -16.980 -2.140 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.073 -3.509 -1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.633 -4.397 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.841 -5.470 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -18.042 -3.530 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.337 -5.193 -2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.684 -6.492 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -17.887 -6.376 0.416 1.00 0.00 H new ATOM 769 N GLN A 168 -14.250 -3.036 -4.987 1.00 0.00 N ATOM 770 CA GLN A 168 -13.139 -3.049 -5.926 1.00 0.00 C ATOM 771 C GLN A 168 -12.022 -2.134 -5.435 1.00 0.00 C ATOM 772 O GLN A 168 -10.840 -2.440 -5.588 1.00 0.00 O ATOM 773 CB GLN A 168 -13.611 -2.605 -7.314 1.00 0.00 C ATOM 774 CG GLN A 168 -12.521 -2.643 -8.373 1.00 0.00 C ATOM 775 CD GLN A 168 -11.974 -4.041 -8.596 1.00 0.00 C ATOM 776 OE1 GLN A 168 -12.710 -4.956 -8.962 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.675 -4.210 -8.376 1.00 0.00 N ATOM 0 H GLN A 168 -15.118 -2.658 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.755 -4.067 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.434 -3.246 -7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.004 -1.591 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.918 -2.258 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.707 -1.981 -8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.102 -3.422 -8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.250 -5.128 -8.510 1.00 0.00 H new ATOM 786 N MET A 169 -12.413 -1.009 -4.845 1.00 0.00 N ATOM 787 CA MET A 169 -11.456 -0.040 -4.324 1.00 0.00 C ATOM 788 C MET A 169 -10.585 -0.649 -3.232 1.00 0.00 C ATOM 789 O MET A 169 -9.360 -0.539 -3.271 1.00 0.00 O ATOM 790 CB MET A 169 -12.184 1.178 -3.758 1.00 0.00 C ATOM 791 CG MET A 169 -12.885 2.025 -4.807 1.00 0.00 C ATOM 792 SD MET A 169 -13.761 3.426 -4.084 1.00 0.00 S ATOM 793 CE MET A 169 -12.456 4.179 -3.113 1.00 0.00 C ATOM 0 H MET A 169 -13.390 -0.745 -4.716 1.00 0.00 H new ATOM 0 HA MET A 169 -10.818 0.264 -5.154 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.920 0.841 -3.028 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.467 1.801 -3.224 1.00 0.00 H new ATOM 0 HG2 MET A 169 -12.151 2.390 -5.525 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.590 1.404 -5.359 1.00 0.00 H new ATOM 0 HE1 MET A 169 -12.706 5.221 -2.913 1.00 0.00 H new ATOM 0 HE2 MET A 169 -12.350 3.644 -2.169 1.00 0.00 H new ATOM 0 HE3 MET A 169 -11.517 4.130 -3.665 1.00 0.00 H new ATOM 803 N LEU A 170 -11.225 -1.277 -2.250 1.00 0.00 N ATOM 804 CA LEU A 170 -10.497 -1.883 -1.140 1.00 0.00 C ATOM 805 C LEU A 170 -9.621 -3.032 -1.633 1.00 0.00 C ATOM 806 O LEU A 170 -8.448 -3.130 -1.268 1.00 0.00 O ATOM 807 CB LEU A 170 -11.478 -2.381 -0.070 1.00 0.00 C ATOM 808 CG LEU A 170 -10.898 -2.521 1.346 1.00 0.00 C ATOM 809 CD1 LEU A 170 -11.991 -2.891 2.334 1.00 0.00 C ATOM 810 CD2 LEU A 170 -9.785 -3.557 1.383 1.00 0.00 C ATOM 0 H LEU A 170 -12.239 -1.379 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.851 -1.125 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.324 -1.695 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -11.867 -3.350 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.476 -1.557 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -11.563 -2.986 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -12.755 -2.113 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -12.441 -3.839 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.394 -3.635 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.178 -4.525 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.985 -3.255 0.707 1.00 0.00 H new ATOM 822 N GLN A 171 -10.198 -3.898 -2.459 1.00 0.00 N ATOM 823 CA GLN A 171 -9.473 -5.044 -3.001 1.00 0.00 C ATOM 824 C GLN A 171 -8.213 -4.601 -3.739 1.00 0.00 C ATOM 825 O GLN A 171 -7.145 -5.192 -3.574 1.00 0.00 O ATOM 826 CB GLN A 171 -10.374 -5.846 -3.940 1.00 0.00 C ATOM 827 CG GLN A 171 -9.695 -7.065 -4.543 1.00 0.00 C ATOM 828 CD GLN A 171 -10.606 -7.866 -5.459 1.00 0.00 C ATOM 829 OE1 GLN A 171 -11.850 -7.421 -5.612 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -10.193 -8.879 -6.024 1.00 0.00 N flip ATOM 0 H GLN A 171 -11.167 -3.829 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.174 -5.677 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.260 -6.168 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.716 -5.196 -4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.818 -6.744 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -9.340 -7.710 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -9.231 -9.187 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -10.813 -9.410 -6.636 1.00 0.00 H new ATOM 839 N ASP A 172 -8.345 -3.560 -4.555 1.00 0.00 N ATOM 840 CA ASP A 172 -7.217 -3.039 -5.319 1.00 0.00 C ATOM 841 C ASP A 172 -6.117 -2.530 -4.393 1.00 0.00 C ATOM 842 O ASP A 172 -4.932 -2.760 -4.637 1.00 0.00 O ATOM 843 CB ASP A 172 -7.678 -1.914 -6.248 1.00 0.00 C ATOM 844 CG ASP A 172 -6.541 -1.340 -7.072 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.915 -2.108 -7.833 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.279 -0.125 -6.957 1.00 0.00 O ATOM 0 H ASP A 172 -9.222 -3.061 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.812 -3.854 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.452 -2.293 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -8.130 -1.119 -5.655 1.00 0.00 H new ATOM 851 N SER A 173 -6.518 -1.833 -3.334 1.00 0.00 N ATOM 852 CA SER A 173 -5.569 -1.283 -2.372 1.00 0.00 C ATOM 853 C SER A 173 -4.729 -2.383 -1.728 1.00 0.00 C ATOM 854 O SER A 173 -3.506 -2.274 -1.651 1.00 0.00 O ATOM 855 CB SER A 173 -6.312 -0.492 -1.293 1.00 0.00 C ATOM 856 OG SER A 173 -7.028 0.592 -1.858 1.00 0.00 O ATOM 0 H SER A 173 -7.496 -1.636 -3.120 1.00 0.00 H new ATOM 0 HA SER A 173 -4.896 -0.615 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.001 -1.151 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.600 -0.118 -0.557 1.00 0.00 H new ATOM 0 HG SER A 173 -7.829 0.254 -2.311 1.00 0.00 H new ATOM 862 N LYS A 174 -5.392 -3.439 -1.265 1.00 0.00 N ATOM 863 CA LYS A 174 -4.702 -4.556 -0.625 1.00 0.00 C ATOM 864 C LYS A 174 -3.653 -5.162 -1.547 1.00 0.00 C ATOM 865 O LYS A 174 -2.508 -5.375 -1.148 1.00 0.00 O ATOM 866 CB LYS A 174 -5.705 -5.635 -0.222 1.00 0.00 C ATOM 867 CG LYS A 174 -6.724 -5.172 0.803 1.00 0.00 C ATOM 868 CD LYS A 174 -7.683 -6.292 1.168 1.00 0.00 C ATOM 869 CE LYS A 174 -8.589 -6.658 0.003 1.00 0.00 C ATOM 870 NZ LYS A 174 -9.530 -7.756 0.357 1.00 0.00 N ATOM 0 H LYS A 174 -6.405 -3.545 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.201 -4.169 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.230 -5.980 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.162 -6.491 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.210 -4.823 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.284 -4.325 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -7.116 -7.170 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.291 -5.988 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -9.155 -5.780 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -7.981 -6.961 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -10.130 -7.977 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -8.990 -8.602 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -10.128 -7.457 1.154 1.00 0.00 H new ATOM 884 N THR A 175 -4.056 -5.447 -2.781 1.00 0.00 N ATOM 885 CA THR A 175 -3.156 -6.042 -3.765 1.00 0.00 C ATOM 886 C THR A 175 -1.898 -5.196 -3.949 1.00 0.00 C ATOM 887 O THR A 175 -0.784 -5.720 -3.948 1.00 0.00 O ATOM 888 CB THR A 175 -3.851 -6.215 -5.130 1.00 0.00 C ATOM 889 OG1 THR A 175 -5.004 -7.052 -4.990 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.902 -6.823 -6.152 1.00 0.00 C ATOM 0 H THR A 175 -5.001 -5.276 -3.125 1.00 0.00 H new ATOM 0 HA THR A 175 -2.875 -7.023 -3.381 1.00 0.00 H new ATOM 0 HB THR A 175 -4.155 -5.229 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.717 -6.554 -4.539 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.417 -6.934 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 175 -2.038 -6.170 -6.280 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.569 -7.801 -5.803 1.00 0.00 H new ATOM 898 N LYS A 176 -2.081 -3.887 -4.102 1.00 0.00 N ATOM 899 CA LYS A 176 -0.955 -2.977 -4.281 1.00 0.00 C ATOM 900 C LYS A 176 -0.013 -3.048 -3.083 1.00 0.00 C ATOM 901 O LYS A 176 1.209 -3.037 -3.238 1.00 0.00 O ATOM 902 CB LYS A 176 -1.449 -1.541 -4.475 1.00 0.00 C ATOM 903 CG LYS A 176 -2.312 -1.353 -5.714 1.00 0.00 C ATOM 904 CD LYS A 176 -2.749 0.097 -5.879 1.00 0.00 C ATOM 905 CE LYS A 176 -3.623 0.558 -4.723 1.00 0.00 C ATOM 906 NZ LYS A 176 -4.030 1.983 -4.870 1.00 0.00 N ATOM 0 H LYS A 176 -2.995 -3.435 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.410 -3.283 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -2.020 -1.241 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.588 -0.875 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.756 -1.669 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -3.192 -1.993 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -1.869 0.736 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -3.296 0.208 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -4.512 -0.070 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -3.083 0.429 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -4.624 2.259 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -3.182 2.585 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -4.568 2.101 -5.752 1.00 0.00 H new ATOM 920 N ILE A 177 -0.592 -3.122 -1.889 1.00 0.00 N ATOM 921 CA ILE A 177 0.188 -3.198 -0.659 1.00 0.00 C ATOM 922 C ILE A 177 1.010 -4.482 -0.611 1.00 0.00 C ATOM 923 O ILE A 177 2.155 -4.478 -0.157 1.00 0.00 O ATOM 924 CB ILE A 177 -0.718 -3.113 0.584 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.490 -1.791 0.567 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.106 -3.241 1.858 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.435 -1.609 1.735 1.00 0.00 C ATOM 0 H ILE A 177 -1.602 -3.131 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 177 0.866 -2.345 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.430 -3.938 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -0.777 -0.967 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.060 -1.728 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.552 -3.178 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.622 -4.201 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.839 -2.435 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -2.942 -0.648 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.174 -2.410 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -1.871 -1.637 2.667 1.00 0.00 H new ATOM 939 N ASP A 178 0.426 -5.578 -1.089 1.00 0.00 N ATOM 940 CA ASP A 178 1.116 -6.863 -1.105 1.00 0.00 C ATOM 941 C ASP A 178 2.418 -6.756 -1.891 1.00 0.00 C ATOM 942 O ASP A 178 3.476 -7.181 -1.424 1.00 0.00 O ATOM 943 CB ASP A 178 0.222 -7.944 -1.716 1.00 0.00 C ATOM 944 CG ASP A 178 -1.047 -8.169 -0.915 1.00 0.00 C ATOM 945 OD1 ASP A 178 -0.941 -8.500 0.283 1.00 0.00 O ATOM 946 OD2 ASP A 178 -2.146 -8.017 -1.489 1.00 0.00 O ATOM 0 H ASP A 178 -0.520 -5.601 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 178 1.347 -7.141 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.041 -7.660 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.779 -8.879 -1.779 1.00 0.00 H new ATOM 951 N ILE A 179 2.333 -6.171 -3.082 1.00 0.00 N ATOM 952 CA ILE A 179 3.506 -5.990 -3.929 1.00 0.00 C ATOM 953 C ILE A 179 4.543 -5.127 -3.221 1.00 0.00 C ATOM 954 O ILE A 179 5.743 -5.393 -3.289 1.00 0.00 O ATOM 955 CB ILE A 179 3.137 -5.337 -5.277 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.104 -6.193 -6.016 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.384 -5.141 -6.129 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.627 -5.583 -7.318 1.00 0.00 C ATOM 0 H ILE A 179 1.465 -5.815 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 179 3.921 -6.979 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 179 2.697 -4.358 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.536 -7.172 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.245 -6.354 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.108 -4.679 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.087 -4.496 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.851 -6.108 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.898 -6.245 -7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.164 -4.616 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.475 -5.448 -7.989 1.00 0.00 H new ATOM 970 N ILE A 180 4.063 -4.094 -2.535 1.00 0.00 N ATOM 971 CA ILE A 180 4.938 -3.188 -1.801 1.00 0.00 C ATOM 972 C ILE A 180 5.776 -3.944 -0.778 1.00 0.00 C ATOM 973 O ILE A 180 7.003 -3.858 -0.786 1.00 0.00 O ATOM 974 CB ILE A 180 4.125 -2.096 -1.076 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.567 -1.090 -2.089 1.00 0.00 C ATOM 976 CG2 ILE A 180 4.977 -1.399 -0.023 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.693 -0.020 -1.469 1.00 0.00 C ATOM 0 H ILE A 180 3.071 -3.864 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 180 5.598 -2.719 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 180 3.286 -2.568 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.398 -0.612 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.989 -1.628 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.384 -0.633 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.318 -2.129 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.840 -0.936 -0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.336 0.654 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.841 -0.487 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.272 0.544 -0.738 1.00 0.00 H new ATOM 989 N ARG A 181 5.104 -4.679 0.100 1.00 0.00 N ATOM 990 CA ARG A 181 5.783 -5.446 1.137 1.00 0.00 C ATOM 991 C ARG A 181 6.885 -6.315 0.541 1.00 0.00 C ATOM 992 O ARG A 181 7.967 -6.433 1.114 1.00 0.00 O ATOM 993 CB ARG A 181 4.779 -6.305 1.903 1.00 0.00 C ATOM 994 CG ARG A 181 5.404 -7.107 3.034 1.00 0.00 C ATOM 995 CD ARG A 181 4.357 -7.900 3.801 1.00 0.00 C ATOM 996 NE ARG A 181 4.948 -8.681 4.887 1.00 0.00 N ATOM 997 CZ ARG A 181 5.569 -8.144 5.935 1.00 0.00 C ATOM 998 NH1 ARG A 181 5.664 -6.826 6.055 1.00 0.00 N ATOM 999 NH2 ARG A 181 6.093 -8.928 6.868 1.00 0.00 N ATOM 0 H ARG A 181 4.087 -4.760 0.114 1.00 0.00 H new ATOM 0 HA ARG A 181 6.246 -4.745 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 181 4.000 -5.662 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.294 -6.990 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 181 6.152 -7.788 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.923 -6.433 3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 181 3.612 -7.217 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.835 -8.568 3.116 1.00 0.00 H new ATOM 0 HE ARG A 181 4.880 -9.698 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 181 5.260 -6.219 5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 181 6.141 -6.420 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 181 6.020 -9.942 6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 181 6.569 -8.517 7.671 1.00 0.00 H new ATOM 1013 N MET A 182 6.611 -6.910 -0.616 1.00 0.00 N ATOM 1014 CA MET A 182 7.597 -7.751 -1.285 1.00 0.00 C ATOM 1015 C MET A 182 8.850 -6.942 -1.610 1.00 0.00 C ATOM 1016 O MET A 182 9.971 -7.434 -1.485 1.00 0.00 O ATOM 1017 CB MET A 182 7.018 -8.354 -2.565 1.00 0.00 C ATOM 1018 CG MET A 182 5.857 -9.305 -2.320 1.00 0.00 C ATOM 1019 SD MET A 182 5.259 -10.071 -3.840 1.00 0.00 S ATOM 1020 CE MET A 182 6.742 -10.898 -4.409 1.00 0.00 C ATOM 0 H MET A 182 5.721 -6.826 -1.107 1.00 0.00 H new ATOM 0 HA MET A 182 7.864 -8.564 -0.610 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.684 -7.547 -3.218 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.807 -8.887 -3.095 1.00 0.00 H new ATOM 0 HG2 MET A 182 6.170 -10.083 -1.623 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.040 -8.761 -1.845 1.00 0.00 H new ATOM 0 HE1 MET A 182 6.470 -11.708 -5.086 1.00 0.00 H new ATOM 0 HE2 MET A 182 7.378 -10.185 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 182 7.282 -11.305 -3.554 1.00 0.00 H new ATOM 1030 N GLN A 183 8.648 -5.697 -2.028 1.00 0.00 N ATOM 1031 CA GLN A 183 9.758 -4.815 -2.370 1.00 0.00 C ATOM 1032 C GLN A 183 10.567 -4.444 -1.128 1.00 0.00 C ATOM 1033 O GLN A 183 11.798 -4.436 -1.158 1.00 0.00 O ATOM 1034 CB GLN A 183 9.240 -3.548 -3.054 1.00 0.00 C ATOM 1035 CG GLN A 183 8.519 -3.812 -4.367 1.00 0.00 C ATOM 1036 CD GLN A 183 9.421 -4.422 -5.423 1.00 0.00 C ATOM 1037 OE1 GLN A 183 9.951 -5.520 -5.247 1.00 0.00 O ATOM 1038 NE2 GLN A 183 9.602 -3.710 -6.530 1.00 0.00 N ATOM 0 H GLN A 183 7.726 -5.276 -2.138 1.00 0.00 H new ATOM 0 HA GLN A 183 10.412 -5.350 -3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.562 -3.031 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.079 -2.877 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 183 7.677 -4.480 -4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 183 8.108 -2.876 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 183 9.144 -2.805 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 183 10.199 -4.069 -7.275 1.00 0.00 H new ATOM 1047 N LEU A 184 9.867 -4.134 -0.039 1.00 0.00 N ATOM 1048 CA LEU A 184 10.523 -3.759 1.212 1.00 0.00 C ATOM 1049 C LEU A 184 11.369 -4.904 1.761 1.00 0.00 C ATOM 1050 O LEU A 184 12.534 -4.711 2.104 1.00 0.00 O ATOM 1051 CB LEU A 184 9.490 -3.328 2.259 1.00 0.00 C ATOM 1052 CG LEU A 184 8.934 -1.908 2.096 1.00 0.00 C ATOM 1053 CD1 LEU A 184 8.228 -1.747 0.761 1.00 0.00 C ATOM 1054 CD2 LEU A 184 7.990 -1.573 3.241 1.00 0.00 C ATOM 0 H LEU A 184 8.848 -4.135 0.003 1.00 0.00 H new ATOM 0 HA LEU A 184 11.182 -2.918 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.657 -4.030 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.944 -3.410 3.247 1.00 0.00 H new ATOM 0 HG LEU A 184 9.773 -1.212 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 184 7.844 -0.731 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 184 8.932 -1.940 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 184 7.401 -2.454 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.604 -0.562 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 184 7.160 -2.280 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 184 8.528 -1.637 4.187 1.00 0.00 H new ATOM 1066 N ARG A 185 10.780 -6.096 1.841 1.00 0.00 N ATOM 1067 CA ARG A 185 11.496 -7.260 2.350 1.00 0.00 C ATOM 1068 C ARG A 185 12.712 -7.560 1.480 1.00 0.00 C ATOM 1069 O ARG A 185 13.762 -7.959 1.983 1.00 0.00 O ATOM 1070 CB ARG A 185 10.563 -8.478 2.445 1.00 0.00 C ATOM 1071 CG ARG A 185 9.920 -8.894 1.129 1.00 0.00 C ATOM 1072 CD ARG A 185 10.849 -9.756 0.286 1.00 0.00 C ATOM 1073 NE ARG A 185 11.244 -10.977 0.980 1.00 0.00 N ATOM 1074 CZ ARG A 185 12.048 -11.897 0.453 1.00 0.00 C ATOM 1075 NH1 ARG A 185 12.536 -11.733 -0.769 1.00 0.00 N ATOM 1076 NH2 ARG A 185 12.365 -12.979 1.149 1.00 0.00 N ATOM 0 H ARG A 185 9.816 -6.279 1.562 1.00 0.00 H new ATOM 0 HA ARG A 185 11.849 -7.036 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.129 -9.322 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 185 9.775 -8.259 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.001 -9.444 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.641 -8.004 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 185 10.353 -10.015 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 185 11.739 -9.183 0.027 1.00 0.00 H new ATOM 0 HE ARG A 185 10.884 -11.134 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 185 12.295 -10.900 -1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 185 13.152 -12.439 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 185 11.993 -13.107 2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 185 12.981 -13.684 0.744 1.00 0.00 H new ATOM 1090 N ARG A 186 12.567 -7.351 0.175 1.00 0.00 N ATOM 1091 CA ARG A 186 13.659 -7.585 -0.761 1.00 0.00 C ATOM 1092 C ARG A 186 14.800 -6.609 -0.492 1.00 0.00 C ATOM 1093 O ARG A 186 15.971 -6.986 -0.504 1.00 0.00 O ATOM 1094 CB ARG A 186 13.167 -7.435 -2.203 1.00 0.00 C ATOM 1095 CG ARG A 186 14.249 -7.653 -3.248 1.00 0.00 C ATOM 1096 CD ARG A 186 14.811 -9.064 -3.190 1.00 0.00 C ATOM 1097 NE ARG A 186 13.786 -10.075 -3.440 1.00 0.00 N ATOM 1098 CZ ARG A 186 14.024 -11.383 -3.436 1.00 0.00 C ATOM 1099 NH1 ARG A 186 15.246 -11.839 -3.194 1.00 0.00 N ATOM 1100 NH2 ARG A 186 13.038 -12.238 -3.673 1.00 0.00 N ATOM 0 H ARG A 186 11.704 -7.020 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 186 14.025 -8.602 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.359 -8.146 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.747 -6.437 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 186 13.839 -7.465 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.054 -6.934 -3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 186 15.608 -9.167 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 186 15.258 -9.236 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 186 12.834 -9.759 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 186 16.007 -11.185 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 186 15.424 -12.843 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 186 12.097 -11.892 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 186 13.221 -13.241 -3.670 1.00 0.00 H new ATOM 1114 N ALA A 187 14.440 -5.354 -0.243 1.00 0.00 N ATOM 1115 CA ALA A 187 15.421 -4.313 0.039 1.00 0.00 C ATOM 1116 C ALA A 187 16.192 -4.628 1.314 1.00 0.00 C ATOM 1117 O ALA A 187 17.393 -4.370 1.407 1.00 0.00 O ATOM 1118 CB ALA A 187 14.735 -2.959 0.153 1.00 0.00 C ATOM 0 H ALA A 187 13.472 -5.033 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 187 16.131 -4.277 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.479 -2.191 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 187 14.229 -2.727 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 187 14.005 -2.988 0.962 1.00 0.00 H new