USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 357 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 174 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 180 TYR OH : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 194 CYS SG : rot 75:sc= 1.27 USER MOD Single : A 198 TYR OH : rot 122:sc= -0.111 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 212 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 214 LYS NZ :NH3+ -146:sc= -1.18 (180deg=-1.61!) USER MOD Single : A 215 ASN : amide:sc= -0.0532 K(o=-0.053,f=-2.1!) USER MOD Single : A 217 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.075) USER MOD Single : A 220 TYR OH : rot 180:sc= -0.648! USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0.00913 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 166:sc= -0.0656 (180deg=-0.38) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.369 -12.626 -2.520 1.00 1.00 N ATOM 66 CA THR A 174 51.816 -11.631 -1.605 1.00 1.00 C ATOM 67 C THR A 174 50.762 -10.797 -2.317 1.00 1.00 C ATOM 68 O THR A 174 50.379 -11.100 -3.440 1.00 1.00 O ATOM 69 CB THR A 174 52.932 -10.723 -1.076 1.00 1.00 C ATOM 70 OG1 THR A 174 52.518 -10.153 0.154 1.00 1.00 O ATOM 71 CG2 THR A 174 53.242 -9.601 -2.078 1.00 1.00 C ATOM 0 HA THR A 174 51.352 -12.146 -0.764 1.00 1.00 H new ATOM 0 HB THR A 174 53.834 -11.318 -0.933 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.227 -9.572 0.500 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.037 -8.969 -1.682 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.562 -10.037 -3.024 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.347 -9.000 -2.240 1.00 1.00 H new ATOM 79 N LEU A 175 50.315 -9.735 -1.652 1.00 1.00 N ATOM 80 CA LEU A 175 49.310 -8.838 -2.218 1.00 1.00 C ATOM 81 C LEU A 175 49.896 -7.444 -2.379 1.00 1.00 C ATOM 82 O LEU A 175 50.849 -7.079 -1.693 1.00 1.00 O ATOM 83 CB LEU A 175 48.065 -8.780 -1.315 1.00 1.00 C ATOM 84 CG LEU A 175 47.796 -10.154 -0.703 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.685 -10.040 0.340 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.385 -11.130 -1.807 1.00 1.00 C ATOM 0 H LEU A 175 50.633 -9.474 -0.719 1.00 1.00 H new ATOM 0 HA LEU A 175 49.013 -9.221 -3.194 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.213 -8.044 -0.525 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.201 -8.456 -1.894 1.00 1.00 H new ATOM 0 HG LEU A 175 48.699 -10.524 -0.218 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.493 -11.020 0.776 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.992 -9.348 1.124 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.776 -9.671 -0.135 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.193 -12.111 -1.372 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.481 -10.766 -2.296 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.188 -11.209 -2.540 1.00 1.00 H new ATOM 98 N VAL A 176 49.328 -6.669 -3.296 1.00 1.00 N ATOM 99 CA VAL A 176 49.803 -5.310 -3.553 1.00 1.00 C ATOM 100 C VAL A 176 48.634 -4.346 -3.553 1.00 1.00 C ATOM 101 O VAL A 176 47.485 -4.772 -3.580 1.00 1.00 O ATOM 102 CB VAL A 176 50.506 -5.246 -4.904 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.728 -6.159 -4.875 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.555 -5.709 -6.008 1.00 1.00 C ATOM 0 H VAL A 176 48.539 -6.956 -3.875 1.00 1.00 H new ATOM 0 HA VAL A 176 50.505 -5.032 -2.767 1.00 1.00 H new ATOM 0 HB VAL A 176 50.813 -4.219 -5.103 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.236 -6.118 -5.839 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.410 -5.829 -4.091 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.413 -7.183 -4.674 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.064 -5.661 -6.971 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.244 -6.735 -5.813 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.678 -5.062 -6.028 1.00 1.00 H new ATOM 114 N ILE A 177 48.933 -3.046 -3.517 1.00 1.00 N ATOM 115 CA ILE A 177 47.890 -2.020 -3.512 1.00 1.00 C ATOM 116 C ILE A 177 48.114 -1.035 -4.655 1.00 1.00 C ATOM 117 O ILE A 177 49.204 -0.480 -4.803 1.00 1.00 O ATOM 118 CB ILE A 177 47.915 -1.264 -2.181 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.610 -2.241 -1.044 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.857 -0.157 -2.193 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.864 -1.571 0.303 1.00 1.00 C ATOM 0 H ILE A 177 49.885 -2.680 -3.491 1.00 1.00 H new ATOM 0 HA ILE A 177 46.922 -2.504 -3.641 1.00 1.00 H new ATOM 0 HB ILE A 177 48.899 -0.819 -2.035 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.573 -2.571 -1.105 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.233 -3.130 -1.140 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.879 0.378 -1.243 1.00 1.00 H new ATOM 0 HG22 ILE A 177 47.067 0.538 -3.006 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.871 -0.598 -2.338 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.644 -2.274 1.106 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.908 -1.264 0.365 1.00 1.00 H new ATOM 0 HD13 ILE A 177 47.222 -0.696 0.401 1.00 1.00 H new ATOM 133 N ALA A 178 47.071 -0.815 -5.449 1.00 1.00 N ATOM 134 CA ALA A 178 47.154 0.111 -6.577 1.00 1.00 C ATOM 135 C ALA A 178 46.972 1.553 -6.105 1.00 1.00 C ATOM 136 O ALA A 178 45.874 1.956 -5.723 1.00 1.00 O ATOM 137 CB ALA A 178 46.082 -0.246 -7.623 1.00 1.00 C ATOM 0 H ALA A 178 46.161 -1.262 -5.335 1.00 1.00 H new ATOM 0 HA ALA A 178 48.141 0.022 -7.031 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.147 0.447 -8.462 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.245 -1.263 -7.979 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.093 -0.174 -7.170 1.00 1.00 H new ATOM 143 N LEU A 179 48.052 2.320 -6.135 1.00 1.00 N ATOM 144 CA LEU A 179 47.994 3.711 -5.708 1.00 1.00 C ATOM 145 C LEU A 179 47.060 4.508 -6.606 1.00 1.00 C ATOM 146 O LEU A 179 46.281 5.332 -6.127 1.00 1.00 O ATOM 147 CB LEU A 179 49.392 4.325 -5.752 1.00 1.00 C ATOM 148 CG LEU A 179 50.266 3.688 -4.661 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.729 4.098 -4.878 1.00 1.00 C ATOM 150 CD2 LEU A 179 49.800 4.133 -3.256 1.00 1.00 C ATOM 0 H LEU A 179 48.971 2.007 -6.447 1.00 1.00 H new ATOM 0 HA LEU A 179 47.613 3.744 -4.687 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.841 4.164 -6.732 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.332 5.403 -5.602 1.00 1.00 H new ATOM 0 HG LEU A 179 50.173 2.604 -4.725 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.352 3.647 -4.105 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.062 3.755 -5.858 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.814 5.183 -4.826 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.433 3.670 -2.499 1.00 1.00 H new ATOM 0 HD22 LEU A 179 49.872 5.218 -3.175 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.766 3.826 -3.101 1.00 1.00 H new ATOM 162 N TYR A 180 47.142 4.261 -7.911 1.00 1.00 N ATOM 163 CA TYR A 180 46.300 4.964 -8.883 1.00 1.00 C ATOM 164 C TYR A 180 45.452 3.972 -9.666 1.00 1.00 C ATOM 165 O TYR A 180 45.803 2.799 -9.787 1.00 1.00 O ATOM 166 CB TYR A 180 47.175 5.762 -9.847 1.00 1.00 C ATOM 167 CG TYR A 180 47.969 6.788 -9.073 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.438 8.064 -8.851 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.238 6.462 -8.576 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.174 9.015 -8.133 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.974 7.414 -7.859 1.00 1.00 C ATOM 172 CZ TYR A 180 49.443 8.690 -7.637 1.00 1.00 C ATOM 173 OH TYR A 180 50.169 9.627 -6.931 1.00 1.00 O ATOM 0 H TYR A 180 47.781 3.581 -8.322 1.00 1.00 H new ATOM 0 HA TYR A 180 45.641 5.644 -8.344 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.849 5.093 -10.382 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.554 6.255 -10.595 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.460 8.315 -9.234 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.648 5.477 -8.746 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.763 9.999 -7.962 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.953 7.163 -7.477 1.00 1.00 H new ATOM 0 HH TYR A 180 51.026 9.239 -6.658 1.00 1.00 H new ATOM 183 N ASP A 181 44.330 4.450 -10.194 1.00 1.00 N ATOM 184 CA ASP A 181 43.438 3.594 -10.960 1.00 1.00 C ATOM 185 C ASP A 181 44.031 3.300 -12.334 1.00 1.00 C ATOM 186 O ASP A 181 43.853 4.072 -13.275 1.00 1.00 O ATOM 187 CB ASP A 181 42.082 4.281 -11.132 1.00 1.00 C ATOM 188 CG ASP A 181 41.388 4.411 -9.782 1.00 1.00 C ATOM 189 OD1 ASP A 181 40.941 3.399 -9.270 1.00 1.00 O ATOM 190 OD2 ASP A 181 41.308 5.521 -9.283 1.00 1.00 O ATOM 0 H ASP A 181 44.020 5.418 -10.106 1.00 1.00 H new ATOM 0 HA ASP A 181 43.309 2.656 -10.420 1.00 1.00 H new ATOM 0 HB2 ASP A 181 42.219 5.267 -11.576 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.458 3.706 -11.817 1.00 1.00 H new ATOM 195 N TYR A 182 44.731 2.174 -12.443 1.00 1.00 N ATOM 196 CA TYR A 182 45.341 1.777 -13.710 1.00 1.00 C ATOM 197 C TYR A 182 44.375 0.915 -14.510 1.00 1.00 C ATOM 198 O TYR A 182 43.787 -0.028 -13.981 1.00 1.00 O ATOM 199 CB TYR A 182 46.622 0.988 -13.452 1.00 1.00 C ATOM 200 CG TYR A 182 47.374 0.815 -14.748 1.00 1.00 C ATOM 201 CD1 TYR A 182 47.064 -0.255 -15.598 1.00 1.00 C ATOM 202 CD2 TYR A 182 48.383 1.719 -15.098 1.00 1.00 C ATOM 203 CE1 TYR A 182 47.763 -0.417 -16.799 1.00 1.00 C ATOM 204 CE2 TYR A 182 49.081 1.556 -16.300 1.00 1.00 C ATOM 205 CZ TYR A 182 48.771 0.488 -17.150 1.00 1.00 C ATOM 206 OH TYR A 182 49.460 0.328 -18.336 1.00 1.00 O ATOM 0 H TYR A 182 44.890 1.523 -11.674 1.00 1.00 H new ATOM 0 HA TYR A 182 45.577 2.678 -14.277 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.244 1.511 -12.725 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.383 0.014 -13.025 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.287 -0.954 -15.326 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.623 2.542 -14.441 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.525 -1.241 -17.455 1.00 1.00 H new ATOM 0 HE2 TYR A 182 49.859 2.254 -16.572 1.00 1.00 H new ATOM 0 HH TYR A 182 50.125 1.042 -18.427 1.00 1.00 H new ATOM 319 N LEU A 190 45.936 -6.089 -16.217 1.00 1.00 N ATOM 320 CA LEU A 190 44.825 -6.249 -15.282 1.00 1.00 C ATOM 321 C LEU A 190 44.373 -4.888 -14.757 1.00 1.00 C ATOM 322 O LEU A 190 45.181 -4.104 -14.259 1.00 1.00 O ATOM 323 CB LEU A 190 45.252 -7.133 -14.105 1.00 1.00 C ATOM 324 CG LEU A 190 44.023 -7.474 -13.249 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.073 -8.418 -14.018 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.478 -8.143 -11.952 1.00 1.00 C ATOM 0 HA LEU A 190 43.996 -6.722 -15.808 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.717 -8.047 -14.473 1.00 1.00 H new ATOM 0 HB3 LEU A 190 45.998 -6.617 -13.500 1.00 1.00 H new ATOM 0 HG LEU A 190 43.486 -6.554 -13.019 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.208 -8.649 -13.396 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.741 -7.932 -14.935 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.598 -9.340 -14.266 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.607 -8.386 -11.343 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.023 -9.057 -12.186 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.128 -7.464 -11.401 1.00 1.00 H new ATOM 338 N ALA A 191 43.075 -4.620 -14.870 1.00 1.00 N ATOM 339 CA ALA A 191 42.525 -3.354 -14.398 1.00 1.00 C ATOM 340 C ALA A 191 42.710 -3.238 -12.892 1.00 1.00 C ATOM 341 O ALA A 191 42.318 -4.131 -12.139 1.00 1.00 O ATOM 342 CB ALA A 191 41.037 -3.272 -14.739 1.00 1.00 C ATOM 0 H ALA A 191 42.391 -5.256 -15.280 1.00 1.00 H new ATOM 0 HA ALA A 191 43.051 -2.536 -14.889 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.634 -2.324 -14.383 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.907 -3.339 -15.819 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.508 -4.095 -14.258 1.00 1.00 H new ATOM 348 N LEU A 192 43.314 -2.134 -12.454 1.00 1.00 N ATOM 349 CA LEU A 192 43.561 -1.907 -11.029 1.00 1.00 C ATOM 350 C LEU A 192 42.686 -0.770 -10.518 1.00 1.00 C ATOM 351 O LEU A 192 42.311 0.122 -11.279 1.00 1.00 O ATOM 352 CB LEU A 192 45.026 -1.546 -10.807 1.00 1.00 C ATOM 353 CG LEU A 192 45.911 -2.488 -11.621 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.383 -2.156 -11.359 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.644 -3.945 -11.208 1.00 1.00 C ATOM 0 H LEU A 192 43.641 -1.384 -13.063 1.00 1.00 H new ATOM 0 HA LEU A 192 43.321 -2.821 -10.486 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.206 -0.513 -11.104 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.274 -1.621 -9.748 1.00 1.00 H new ATOM 0 HG LEU A 192 45.684 -2.364 -12.680 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.016 -2.827 -11.939 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.581 -1.125 -11.653 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.600 -2.279 -10.298 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.279 -4.611 -11.793 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.867 -4.069 -10.148 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.597 -4.189 -11.390 1.00 1.00 H new ATOM 367 N ARG A 193 42.361 -0.812 -9.227 1.00 1.00 N ATOM 368 CA ARG A 193 41.513 0.217 -8.611 1.00 1.00 C ATOM 369 C ARG A 193 42.262 0.880 -7.459 1.00 1.00 C ATOM 370 O ARG A 193 43.021 0.230 -6.743 1.00 1.00 O ATOM 371 CB ARG A 193 40.187 -0.414 -8.098 1.00 1.00 C ATOM 372 CG ARG A 193 40.096 -1.861 -8.558 1.00 1.00 C ATOM 373 CD ARG A 193 38.744 -2.440 -8.159 1.00 1.00 C ATOM 374 NE ARG A 193 38.674 -3.850 -8.525 1.00 1.00 N ATOM 375 CZ ARG A 193 38.312 -4.227 -9.748 1.00 1.00 C ATOM 376 NH1 ARG A 193 38.020 -3.329 -10.648 1.00 1.00 N ATOM 377 NH2 ARG A 193 38.250 -5.496 -10.047 1.00 1.00 N ATOM 0 H ARG A 193 42.669 -1.543 -8.586 1.00 1.00 H new ATOM 0 HA ARG A 193 41.270 0.972 -9.359 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.147 -0.365 -7.010 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.334 0.152 -8.474 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.223 -1.918 -9.639 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.900 -2.446 -8.111 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.594 -2.327 -7.085 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.944 -1.888 -8.652 1.00 1.00 H new ATOM 0 HE ARG A 193 38.907 -4.560 -7.831 1.00 1.00 H new ATOM 0 HH11 ARG A 193 38.069 -2.337 -10.414 1.00 1.00 H new ATOM 0 HH12 ARG A 193 37.742 -3.618 -11.586 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.479 -6.198 -9.343 1.00 1.00 H new ATOM 0 HH22 ARG A 193 37.972 -5.786 -10.985 1.00 1.00 H new ATOM 391 N CYS A 194 42.039 2.173 -7.291 1.00 1.00 N ATOM 392 CA CYS A 194 42.698 2.915 -6.230 1.00 1.00 C ATOM 393 C CYS A 194 42.273 2.399 -4.867 1.00 1.00 C ATOM 394 O CYS A 194 41.083 2.236 -4.602 1.00 1.00 O ATOM 395 CB CYS A 194 42.336 4.399 -6.332 1.00 1.00 C ATOM 396 SG CYS A 194 43.482 5.367 -5.320 1.00 1.00 S ATOM 0 H CYS A 194 41.410 2.728 -7.872 1.00 1.00 H new ATOM 0 HA CYS A 194 43.774 2.783 -6.342 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.385 4.726 -7.371 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.312 4.559 -5.995 1.00 1.00 H new ATOM 0 HG CYS A 194 44.632 5.446 -5.921 1.00 1.00 H new ATOM 402 N ASP A 195 43.260 2.139 -4.015 1.00 1.00 N ATOM 403 CA ASP A 195 43.001 1.635 -2.667 1.00 1.00 C ATOM 404 C ASP A 195 42.808 0.124 -2.689 1.00 1.00 C ATOM 405 O ASP A 195 43.024 -0.547 -1.683 1.00 1.00 O ATOM 406 CB ASP A 195 41.738 2.310 -2.076 1.00 1.00 C ATOM 407 CG ASP A 195 41.836 2.405 -0.558 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.810 2.964 -0.080 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.929 1.929 0.104 1.00 1.00 O ATOM 0 H ASP A 195 44.248 2.269 -4.233 1.00 1.00 H new ATOM 0 HA ASP A 195 43.862 1.873 -2.042 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.620 3.307 -2.501 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.852 1.739 -2.353 1.00 1.00 H new ATOM 414 N GLU A 196 42.400 -0.416 -3.840 1.00 1.00 N ATOM 415 CA GLU A 196 42.183 -1.841 -3.953 1.00 1.00 C ATOM 416 C GLU A 196 43.516 -2.570 -4.027 1.00 1.00 C ATOM 417 O GLU A 196 44.561 -1.959 -4.251 1.00 1.00 O ATOM 418 CB GLU A 196 41.351 -2.127 -5.214 1.00 1.00 C ATOM 419 CG GLU A 196 41.210 -3.632 -5.437 1.00 1.00 C ATOM 420 CD GLU A 196 40.649 -4.295 -4.179 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.855 -3.657 -3.507 1.00 1.00 O ATOM 422 OE2 GLU A 196 41.038 -5.417 -3.894 1.00 1.00 O ATOM 0 H GLU A 196 42.218 0.114 -4.692 1.00 1.00 H new ATOM 0 HA GLU A 196 41.644 -2.197 -3.075 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.364 -1.675 -5.115 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.826 -1.669 -6.081 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.551 -3.823 -6.284 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.180 -4.064 -5.685 1.00 1.00 H new ATOM 429 N GLU A 197 43.471 -3.888 -3.854 1.00 1.00 N ATOM 430 CA GLU A 197 44.664 -4.717 -3.928 1.00 1.00 C ATOM 431 C GLU A 197 44.403 -5.949 -4.782 1.00 1.00 C ATOM 432 O GLU A 197 43.267 -6.238 -5.159 1.00 1.00 O ATOM 433 CB GLU A 197 45.094 -5.143 -2.521 1.00 1.00 C ATOM 434 CG GLU A 197 43.853 -5.461 -1.696 1.00 1.00 C ATOM 435 CD GLU A 197 44.237 -6.252 -0.451 1.00 1.00 C ATOM 436 OE1 GLU A 197 45.188 -7.014 -0.525 1.00 1.00 O ATOM 437 OE2 GLU A 197 43.574 -6.086 0.559 1.00 1.00 O ATOM 0 H GLU A 197 42.613 -4.405 -3.660 1.00 1.00 H new ATOM 0 HA GLU A 197 45.463 -4.135 -4.387 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.744 -6.016 -2.575 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.668 -4.347 -2.046 1.00 1.00 H new ATOM 0 HG2 GLU A 197 43.352 -4.537 -1.408 1.00 1.00 H new ATOM 0 HG3 GLU A 197 43.146 -6.034 -2.296 1.00 1.00 H new ATOM 444 N TYR A 198 45.475 -6.663 -5.088 1.00 1.00 N ATOM 445 CA TYR A 198 45.387 -7.878 -5.904 1.00 1.00 C ATOM 446 C TYR A 198 46.361 -8.934 -5.400 1.00 1.00 C ATOM 447 O TYR A 198 47.156 -8.678 -4.500 1.00 1.00 O ATOM 448 CB TYR A 198 45.707 -7.553 -7.357 1.00 1.00 C ATOM 449 CG TYR A 198 44.638 -6.646 -7.916 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.628 -5.286 -7.583 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.659 -7.164 -8.773 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.638 -4.445 -8.103 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.668 -6.319 -9.293 1.00 1.00 C ATOM 454 CZ TYR A 198 42.658 -4.962 -8.959 1.00 1.00 C ATOM 455 OH TYR A 198 41.680 -4.136 -9.472 1.00 1.00 O ATOM 0 H TYR A 198 46.420 -6.427 -4.786 1.00 1.00 H new ATOM 0 HA TYR A 198 44.371 -8.267 -5.830 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.682 -7.070 -7.427 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.763 -8.471 -7.942 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.385 -4.886 -6.924 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.667 -8.212 -9.033 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.630 -3.397 -7.844 1.00 1.00 H new ATOM 0 HE2 TYR A 198 41.911 -6.718 -9.953 1.00 1.00 H new ATOM 0 HH TYR A 198 41.710 -4.162 -10.451 1.00 1.00 H new ATOM 465 N TYR A 199 46.285 -10.122 -5.986 1.00 1.00 N ATOM 466 CA TYR A 199 47.157 -11.235 -5.598 1.00 1.00 C ATOM 467 C TYR A 199 48.423 -11.241 -6.433 1.00 1.00 C ATOM 468 O TYR A 199 48.362 -11.333 -7.651 1.00 1.00 O ATOM 469 CB TYR A 199 46.412 -12.584 -5.784 1.00 1.00 C ATOM 470 CG TYR A 199 46.109 -13.192 -4.442 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.135 -13.798 -3.713 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.814 -13.136 -3.928 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.870 -14.354 -2.462 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.537 -13.692 -2.679 1.00 1.00 C ATOM 475 CZ TYR A 199 45.566 -14.302 -1.939 1.00 1.00 C ATOM 476 OH TYR A 199 45.297 -14.845 -0.699 1.00 1.00 O ATOM 0 H TYR A 199 45.628 -10.345 -6.734 1.00 1.00 H new ATOM 0 HA TYR A 199 47.426 -11.107 -4.549 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.487 -12.425 -6.338 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.023 -13.268 -6.373 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.135 -13.836 -4.119 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.027 -12.663 -4.496 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.663 -14.822 -1.897 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.534 -13.654 -2.281 1.00 1.00 H new ATOM 0 HH TYR A 199 44.348 -14.723 -0.487 1.00 1.00 H new ATOM 486 N LEU A 200 49.566 -11.142 -5.768 1.00 1.00 N ATOM 487 CA LEU A 200 50.839 -11.139 -6.473 1.00 1.00 C ATOM 488 C LEU A 200 51.263 -12.561 -6.786 1.00 1.00 C ATOM 489 O LEU A 200 51.362 -13.405 -5.894 1.00 1.00 O ATOM 490 CB LEU A 200 51.918 -10.463 -5.612 1.00 1.00 C ATOM 491 CG LEU A 200 53.090 -9.974 -6.491 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.597 -8.891 -7.470 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.177 -9.388 -5.582 1.00 1.00 C ATOM 0 H LEU A 200 49.638 -11.064 -4.754 1.00 1.00 H new ATOM 0 HA LEU A 200 50.720 -10.584 -7.404 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.485 -9.620 -5.073 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.286 -11.165 -4.864 1.00 1.00 H new ATOM 0 HG LEU A 200 53.492 -10.810 -7.064 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.429 -8.551 -8.086 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.818 -9.306 -8.109 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.194 -8.048 -6.908 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.011 -9.039 -6.191 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.766 -8.552 -5.016 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.528 -10.156 -4.893 1.00 1.00 H new ATOM 505 N LEU A 201 51.513 -12.820 -8.061 1.00 1.00 N ATOM 506 CA LEU A 201 51.933 -14.153 -8.502 1.00 1.00 C ATOM 507 C LEU A 201 53.418 -14.191 -8.831 1.00 1.00 C ATOM 508 O LEU A 201 54.197 -14.862 -8.155 1.00 1.00 O ATOM 509 CB LEU A 201 51.135 -14.573 -9.735 1.00 1.00 C ATOM 510 CG LEU A 201 49.615 -14.433 -9.449 1.00 1.00 C ATOM 511 CD1 LEU A 201 49.100 -13.080 -9.967 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.848 -15.569 -10.138 1.00 1.00 C ATOM 0 H LEU A 201 51.434 -12.132 -8.810 1.00 1.00 H new ATOM 0 HA LEU A 201 51.743 -14.845 -7.682 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.413 -13.954 -10.588 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.372 -15.604 -9.999 1.00 1.00 H new ATOM 0 HG LEU A 201 49.455 -14.488 -8.372 1.00 1.00 H new ATOM 0 HD11 LEU A 201 48.033 -12.994 -9.761 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.633 -12.272 -9.466 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.268 -13.014 -11.042 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.782 -15.465 -9.933 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.017 -15.522 -11.214 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.199 -16.528 -9.757 1.00 1.00 H new ATOM 524 N ASP A 202 53.799 -13.469 -9.875 1.00 1.00 N ATOM 525 CA ASP A 202 55.199 -13.428 -10.299 1.00 1.00 C ATOM 526 C ASP A 202 55.853 -12.143 -9.823 1.00 1.00 C ATOM 527 O ASP A 202 55.796 -11.118 -10.502 1.00 1.00 O ATOM 528 CB ASP A 202 55.290 -13.521 -11.825 1.00 1.00 C ATOM 529 CG ASP A 202 56.705 -13.907 -12.241 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.595 -13.795 -11.415 1.00 1.00 O ATOM 531 OD2 ASP A 202 56.876 -14.314 -13.378 1.00 1.00 O ATOM 0 H ASP A 202 53.166 -12.906 -10.443 1.00 1.00 H new ATOM 0 HA ASP A 202 55.722 -14.277 -9.858 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.579 -14.260 -12.195 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.019 -12.565 -12.273 1.00 1.00 H new ATOM 536 N SER A 203 56.479 -12.199 -8.650 1.00 1.00 N ATOM 537 CA SER A 203 57.146 -11.027 -8.093 1.00 1.00 C ATOM 538 C SER A 203 58.650 -11.094 -8.353 1.00 1.00 C ATOM 539 O SER A 203 59.354 -10.088 -8.257 1.00 1.00 O ATOM 540 CB SER A 203 56.893 -10.961 -6.598 1.00 1.00 C ATOM 541 OG SER A 203 57.746 -11.876 -5.921 1.00 1.00 O ATOM 0 H SER A 203 56.538 -13.037 -8.071 1.00 1.00 H new ATOM 0 HA SER A 203 56.746 -10.135 -8.574 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.070 -9.949 -6.235 1.00 1.00 H new ATOM 0 HB3 SER A 203 55.850 -11.198 -6.386 1.00 1.00 H new ATOM 0 HG SER A 203 57.579 -11.827 -4.957 1.00 1.00 H new ATOM 609 N TRP A 208 57.619 -6.695 -15.423 1.00 1.00 N ATOM 610 CA TRP A 208 56.230 -6.407 -15.073 1.00 1.00 C ATOM 611 C TRP A 208 55.739 -7.337 -13.968 1.00 1.00 C ATOM 612 O TRP A 208 56.038 -8.530 -13.968 1.00 1.00 O ATOM 613 CB TRP A 208 55.349 -6.584 -16.307 1.00 1.00 C ATOM 614 CG TRP A 208 55.539 -5.433 -17.236 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.422 -5.404 -18.258 1.00 1.00 C ATOM 616 CD2 TRP A 208 54.841 -4.151 -17.255 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.324 -4.186 -18.900 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.362 -3.379 -18.322 1.00 1.00 C ATOM 619 CE3 TRP A 208 53.820 -3.582 -16.461 1.00 1.00 C ATOM 620 CZ2 TRP A 208 54.889 -2.095 -18.590 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.346 -2.295 -16.734 1.00 1.00 C ATOM 622 CH2 TRP A 208 53.878 -1.554 -17.793 1.00 1.00 C ATOM 0 HA TRP A 208 56.172 -5.380 -14.713 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.600 -7.516 -16.813 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.302 -6.654 -16.010 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.095 -6.204 -18.529 1.00 1.00 H new ATOM 0 HE1 TRP A 208 56.892 -3.915 -19.703 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.403 -4.144 -15.638 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.302 -1.523 -19.408 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 52.564 -1.871 -16.122 1.00 1.00 H new ATOM 0 HH2 TRP A 208 53.506 -0.560 -17.995 1.00 1.00 H new ATOM 633 N TRP A 209 54.976 -6.782 -13.035 1.00 1.00 N ATOM 634 CA TRP A 209 54.439 -7.570 -11.924 1.00 1.00 C ATOM 635 C TRP A 209 53.091 -8.156 -12.298 1.00 1.00 C ATOM 636 O TRP A 209 52.157 -7.445 -12.673 1.00 1.00 O ATOM 637 CB TRP A 209 54.310 -6.679 -10.664 1.00 1.00 C ATOM 638 CG TRP A 209 55.510 -6.823 -9.769 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.741 -7.259 -10.144 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.609 -6.521 -8.352 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.558 -7.283 -9.039 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.918 -6.824 -7.919 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.699 -6.030 -7.404 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.313 -6.644 -6.601 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.091 -5.843 -6.071 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.397 -6.149 -5.671 1.00 1.00 C ATOM 0 H TRP A 209 54.714 -5.796 -13.021 1.00 1.00 H new ATOM 0 HA TRP A 209 55.122 -8.391 -11.707 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.199 -5.637 -10.963 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.409 -6.951 -10.114 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.030 -7.540 -11.146 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.526 -7.604 -9.052 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.688 -5.794 -7.703 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.321 -6.885 -6.297 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.383 -5.462 -5.350 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.696 -6.002 -4.644 1.00 1.00 H new ATOM 657 N ARG A 210 53.007 -9.477 -12.173 1.00 1.00 N ATOM 658 CA ARG A 210 51.781 -10.184 -12.480 1.00 1.00 C ATOM 659 C ARG A 210 50.871 -10.190 -11.271 1.00 1.00 C ATOM 660 O ARG A 210 51.302 -10.514 -10.164 1.00 1.00 O ATOM 661 CB ARG A 210 52.084 -11.629 -12.883 1.00 1.00 C ATOM 662 CG ARG A 210 52.687 -11.653 -14.288 1.00 1.00 C ATOM 663 CD ARG A 210 53.051 -13.091 -14.667 1.00 1.00 C ATOM 664 NE ARG A 210 53.182 -13.209 -16.115 1.00 1.00 N ATOM 665 CZ ARG A 210 52.119 -13.433 -16.883 1.00 1.00 C ATOM 666 NH1 ARG A 210 50.936 -13.546 -16.341 1.00 1.00 N ATOM 667 NH2 ARG A 210 52.254 -13.538 -18.176 1.00 1.00 N ATOM 0 H ARG A 210 53.774 -10.073 -11.862 1.00 1.00 H new ATOM 0 HA ARG A 210 51.290 -9.674 -13.309 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.777 -12.078 -12.171 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.171 -12.224 -12.858 1.00 1.00 H new ATOM 0 HG2 ARG A 210 51.976 -11.246 -15.007 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.574 -11.021 -14.325 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.986 -13.377 -14.185 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.284 -13.776 -14.306 1.00 1.00 H new ATOM 0 HE ARG A 210 54.102 -13.118 -16.545 1.00 1.00 H new ATOM 0 HH11 ARG A 210 50.828 -13.462 -15.330 1.00 1.00 H new ATOM 0 HH12 ARG A 210 50.120 -13.718 -16.929 1.00 1.00 H new ATOM 0 HH21 ARG A 210 53.177 -13.448 -18.601 1.00 1.00 H new ATOM 0 HH22 ARG A 210 51.437 -13.710 -18.762 1.00 1.00 H new ATOM 681 N VAL A 211 49.613 -9.816 -11.480 1.00 1.00 N ATOM 682 CA VAL A 211 48.641 -9.771 -10.392 1.00 1.00 C ATOM 683 C VAL A 211 47.390 -10.558 -10.767 1.00 1.00 C ATOM 684 O VAL A 211 47.147 -10.828 -11.945 1.00 1.00 O ATOM 685 CB VAL A 211 48.257 -8.324 -10.106 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.441 -7.598 -9.474 1.00 1.00 C ATOM 687 CG2 VAL A 211 47.875 -7.629 -11.415 1.00 1.00 C ATOM 0 H VAL A 211 49.243 -9.540 -12.390 1.00 1.00 H new ATOM 0 HA VAL A 211 49.090 -10.216 -9.504 1.00 1.00 H new ATOM 0 HB VAL A 211 47.409 -8.303 -9.421 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.166 -6.563 -9.270 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.715 -8.092 -8.542 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.289 -7.620 -10.159 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.600 -6.594 -11.211 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.723 -7.651 -12.100 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.029 -8.146 -11.868 1.00 1.00 H new ATOM 697 N GLN A 212 46.589 -10.925 -9.763 1.00 1.00 N ATOM 698 CA GLN A 212 45.358 -11.679 -9.996 1.00 1.00 C ATOM 699 C GLN A 212 44.253 -11.172 -9.083 1.00 1.00 C ATOM 700 O GLN A 212 44.461 -10.975 -7.886 1.00 1.00 O ATOM 701 CB GLN A 212 45.604 -13.171 -9.745 1.00 1.00 C ATOM 702 CG GLN A 212 44.283 -13.935 -9.839 1.00 1.00 C ATOM 703 CD GLN A 212 44.548 -15.435 -9.834 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.146 -15.958 -8.895 1.00 1.00 O ATOM 705 NE2 GLN A 212 44.132 -16.160 -10.835 1.00 1.00 N ATOM 0 H GLN A 212 46.772 -10.712 -8.783 1.00 1.00 H new ATOM 0 HA GLN A 212 45.049 -11.540 -11.032 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.313 -13.560 -10.476 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.049 -13.315 -8.761 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.639 -13.668 -9.001 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.755 -13.654 -10.750 1.00 1.00 H new ATOM 0 HE21 GLN A 212 43.637 -15.721 -11.611 1.00 1.00 H new ATOM 0 HE22 GLN A 212 44.302 -17.166 -10.842 1.00 1.00 H new ATOM 714 N ASP A 213 43.069 -10.968 -9.655 1.00 1.00 N ATOM 715 CA ASP A 213 41.926 -10.489 -8.885 1.00 1.00 C ATOM 716 C ASP A 213 41.158 -11.666 -8.302 1.00 1.00 C ATOM 717 O ASP A 213 41.252 -12.791 -8.794 1.00 1.00 O ATOM 718 CB ASP A 213 40.997 -9.677 -9.784 1.00 1.00 C ATOM 719 CG ASP A 213 39.960 -8.946 -8.937 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.161 -8.857 -7.737 1.00 1.00 O ATOM 721 OD2 ASP A 213 38.981 -8.488 -9.502 1.00 1.00 O ATOM 0 H ASP A 213 42.877 -11.126 -10.644 1.00 1.00 H new ATOM 0 HA ASP A 213 42.291 -9.859 -8.074 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.576 -8.959 -10.365 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.499 -10.335 -10.496 1.00 1.00 H new ATOM 726 N LYS A 214 40.402 -11.394 -7.251 1.00 1.00 N ATOM 727 CA LYS A 214 39.613 -12.430 -6.592 1.00 1.00 C ATOM 728 C LYS A 214 38.534 -12.957 -7.535 1.00 1.00 C ATOM 729 O LYS A 214 37.838 -13.923 -7.219 1.00 1.00 O ATOM 730 CB LYS A 214 38.957 -11.873 -5.325 1.00 1.00 C ATOM 731 CG LYS A 214 40.001 -11.755 -4.211 1.00 1.00 C ATOM 732 CD LYS A 214 41.089 -10.760 -4.632 1.00 1.00 C ATOM 733 CE LYS A 214 41.891 -10.321 -3.409 1.00 1.00 C ATOM 734 NZ LYS A 214 42.648 -11.486 -2.874 1.00 1.00 N ATOM 0 H LYS A 214 40.316 -10.467 -6.834 1.00 1.00 H new ATOM 0 HA LYS A 214 40.280 -13.248 -6.320 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.519 -10.896 -5.530 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.145 -12.527 -5.007 1.00 1.00 H new ATOM 0 HG2 LYS A 214 39.527 -11.422 -3.288 1.00 1.00 H new ATOM 0 HG3 LYS A 214 40.444 -12.730 -4.009 1.00 1.00 H new ATOM 0 HD2 LYS A 214 41.751 -11.220 -5.366 1.00 1.00 H new ATOM 0 HD3 LYS A 214 40.635 -9.892 -5.111 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.578 -9.519 -3.679 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.223 -9.925 -2.645 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 42.708 -11.415 -1.838 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 42.159 -12.366 -3.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 43.607 -11.492 -3.277 1.00 1.00 H new ATOM 748 N ASN A 215 38.391 -12.306 -8.686 1.00 1.00 N ATOM 749 CA ASN A 215 37.384 -12.709 -9.668 1.00 1.00 C ATOM 750 C ASN A 215 37.977 -13.683 -10.680 1.00 1.00 C ATOM 751 O ASN A 215 37.265 -14.215 -11.530 1.00 1.00 O ATOM 752 CB ASN A 215 36.845 -11.479 -10.395 1.00 1.00 C ATOM 753 CG ASN A 215 35.956 -10.670 -9.455 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.521 -11.179 -8.422 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.655 -9.437 -9.755 1.00 1.00 N ATOM 0 H ASN A 215 38.955 -11.502 -8.962 1.00 1.00 H new ATOM 0 HA ASN A 215 36.570 -13.206 -9.141 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.672 -10.863 -10.748 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.277 -11.785 -11.274 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.058 -8.892 -9.133 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.017 -9.018 -10.612 1.00 1.00 H new ATOM 762 N GLY A 216 39.286 -13.910 -10.587 1.00 1.00 N ATOM 763 CA GLY A 216 39.965 -14.824 -11.502 1.00 1.00 C ATOM 764 C GLY A 216 40.549 -14.075 -12.692 1.00 1.00 C ATOM 765 O GLY A 216 40.855 -14.677 -13.722 1.00 1.00 O ATOM 0 H GLY A 216 39.894 -13.477 -9.892 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.760 -15.349 -10.973 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.263 -15.580 -11.853 1.00 1.00 H new ATOM 769 N HIS A 217 40.696 -12.759 -12.556 1.00 1.00 N ATOM 770 CA HIS A 217 41.247 -11.939 -13.634 1.00 1.00 C ATOM 771 C HIS A 217 42.708 -11.612 -13.349 1.00 1.00 C ATOM 772 O HIS A 217 43.038 -11.067 -12.297 1.00 1.00 O ATOM 773 CB HIS A 217 40.448 -10.641 -13.762 1.00 1.00 C ATOM 774 CG HIS A 217 39.015 -10.966 -14.068 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.661 -11.892 -15.035 1.00 1.00 N ATOM 776 CD2 HIS A 217 37.836 -10.493 -13.552 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.318 -11.948 -15.071 1.00 1.00 C ATOM 778 NE2 HIS A 217 36.764 -11.113 -14.186 1.00 1.00 N ATOM 0 H HIS A 217 40.443 -12.239 -11.715 1.00 1.00 H new ATOM 0 HA HIS A 217 41.181 -12.497 -14.568 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.513 -10.068 -12.837 1.00 1.00 H new ATOM 0 HB3 HIS A 217 40.868 -10.019 -14.552 1.00 1.00 H new ATOM 0 HD2 HIS A 217 37.752 -9.751 -12.771 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.756 -12.589 -15.734 1.00 1.00 H new ATOM 0 HE2 HIS A 217 35.770 -10.963 -14.013 1.00 1.00 H new ATOM 786 N GLU A 218 43.576 -11.957 -14.297 1.00 1.00 N ATOM 787 CA GLU A 218 45.014 -11.712 -14.152 1.00 1.00 C ATOM 788 C GLU A 218 45.548 -10.883 -15.310 1.00 1.00 C ATOM 789 O GLU A 218 44.962 -10.857 -16.394 1.00 1.00 O ATOM 790 CB GLU A 218 45.757 -13.043 -14.087 1.00 1.00 C ATOM 791 CG GLU A 218 45.360 -13.911 -15.285 1.00 1.00 C ATOM 792 CD GLU A 218 46.134 -15.225 -15.260 1.00 1.00 C ATOM 793 OE1 GLU A 218 47.032 -15.347 -14.443 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.818 -16.091 -16.061 1.00 1.00 O ATOM 0 H GLU A 218 43.312 -12.407 -15.174 1.00 1.00 H new ATOM 0 HA GLU A 218 45.175 -11.154 -13.230 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.833 -12.871 -14.090 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.520 -13.559 -13.157 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.289 -14.111 -15.260 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.564 -13.378 -16.214 1.00 1.00 H new ATOM 801 N GLY A 219 46.669 -10.212 -15.076 1.00 1.00 N ATOM 802 CA GLY A 219 47.283 -9.390 -16.108 1.00 1.00 C ATOM 803 C GLY A 219 48.483 -8.636 -15.552 1.00 1.00 C ATOM 804 O GLY A 219 48.616 -8.467 -14.338 1.00 1.00 O ATOM 0 H GLY A 219 47.168 -10.221 -14.186 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.596 -10.018 -16.942 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.552 -8.682 -16.499 1.00 1.00 H new ATOM 808 N TYR A 220 49.369 -8.188 -16.442 1.00 1.00 N ATOM 809 CA TYR A 220 50.557 -7.466 -16.020 1.00 1.00 C ATOM 810 C TYR A 220 50.181 -6.164 -15.354 1.00 1.00 C ATOM 811 O TYR A 220 49.284 -5.458 -15.817 1.00 1.00 O ATOM 812 CB TYR A 220 51.436 -7.165 -17.237 1.00 1.00 C ATOM 813 CG TYR A 220 52.084 -8.443 -17.723 1.00 1.00 C ATOM 814 CD1 TYR A 220 53.014 -9.106 -16.913 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.752 -8.971 -18.980 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.613 -10.289 -17.357 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.352 -10.157 -19.422 1.00 1.00 C ATOM 818 CZ TYR A 220 53.282 -10.814 -18.611 1.00 1.00 C ATOM 819 OH TYR A 220 53.877 -11.980 -19.047 1.00 1.00 O ATOM 0 H TYR A 220 49.283 -8.314 -17.451 1.00 1.00 H new ATOM 0 HA TYR A 220 51.101 -8.087 -15.308 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.835 -6.725 -18.033 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.201 -6.434 -16.974 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.269 -8.703 -15.944 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.034 -8.463 -19.607 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.332 -10.798 -16.732 1.00 1.00 H new ATOM 0 HE2 TYR A 220 52.096 -10.564 -20.389 1.00 1.00 H new ATOM 0 HH TYR A 220 53.536 -12.208 -19.937 1.00 1.00 H new ATOM 829 N ALA A 221 50.868 -5.847 -14.257 1.00 1.00 N ATOM 830 CA ALA A 221 50.597 -4.612 -13.533 1.00 1.00 C ATOM 831 C ALA A 221 51.907 -3.897 -13.178 1.00 1.00 C ATOM 832 O ALA A 221 52.886 -4.539 -12.796 1.00 1.00 O ATOM 833 CB ALA A 221 49.823 -4.906 -12.250 1.00 1.00 C ATOM 0 H ALA A 221 51.608 -6.423 -13.856 1.00 1.00 H new ATOM 0 HA ALA A 221 49.999 -3.968 -14.178 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.628 -3.973 -11.721 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.877 -5.387 -12.498 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.411 -5.568 -11.614 1.00 1.00 H new ATOM 839 N PRO A 222 51.945 -2.591 -13.282 1.00 1.00 N ATOM 840 CA PRO A 222 53.166 -1.795 -12.951 1.00 1.00 C ATOM 841 C PRO A 222 53.449 -1.770 -11.447 1.00 1.00 C ATOM 842 O PRO A 222 52.683 -1.206 -10.670 1.00 1.00 O ATOM 843 CB PRO A 222 52.833 -0.386 -13.478 1.00 1.00 C ATOM 844 CG PRO A 222 51.338 -0.319 -13.507 1.00 1.00 C ATOM 845 CD PRO A 222 50.839 -1.737 -13.732 1.00 1.00 C ATOM 0 HA PRO A 222 54.067 -2.218 -13.396 1.00 1.00 H new ATOM 0 HB2 PRO A 222 53.249 0.385 -12.829 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.253 -0.228 -14.471 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.951 0.083 -12.571 1.00 1.00 H new ATOM 0 HG3 PRO A 222 50.996 0.342 -14.303 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.930 -1.933 -13.164 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.603 -1.913 -14.782 1.00 1.00 H new ATOM 853 N SER A 223 54.562 -2.380 -11.061 1.00 1.00 N ATOM 854 CA SER A 223 54.961 -2.429 -9.655 1.00 1.00 C ATOM 855 C SER A 223 55.285 -1.030 -9.135 1.00 1.00 C ATOM 856 O SER A 223 55.399 -0.806 -7.934 1.00 1.00 O ATOM 857 CB SER A 223 56.185 -3.322 -9.485 1.00 1.00 C ATOM 858 OG SER A 223 57.315 -2.683 -10.056 1.00 1.00 O ATOM 0 H SER A 223 55.206 -2.848 -11.699 1.00 1.00 H new ATOM 0 HA SER A 223 54.128 -2.837 -9.083 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.361 -3.520 -8.428 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.016 -4.285 -9.966 1.00 1.00 H new ATOM 0 HG SER A 223 58.104 -3.254 -9.947 1.00 1.00 H new ATOM 864 N SER A 224 55.430 -0.095 -10.060 1.00 1.00 N ATOM 865 CA SER A 224 55.737 1.291 -9.700 1.00 1.00 C ATOM 866 C SER A 224 54.508 2.027 -9.158 1.00 1.00 C ATOM 867 O SER A 224 54.606 2.781 -8.190 1.00 1.00 O ATOM 868 CB SER A 224 56.284 2.042 -10.916 1.00 1.00 C ATOM 869 OG SER A 224 55.573 1.624 -12.072 1.00 1.00 O ATOM 0 H SER A 224 55.342 -0.263 -11.062 1.00 1.00 H new ATOM 0 HA SER A 224 56.489 1.262 -8.911 1.00 1.00 H new ATOM 0 HB2 SER A 224 56.176 3.117 -10.775 1.00 1.00 H new ATOM 0 HB3 SER A 224 57.349 1.842 -11.035 1.00 1.00 H new ATOM 0 HG SER A 224 55.915 2.101 -12.857 1.00 1.00 H new ATOM 875 N TYR A 225 53.363 1.822 -9.794 1.00 1.00 N ATOM 876 CA TYR A 225 52.138 2.503 -9.380 1.00 1.00 C ATOM 877 C TYR A 225 51.454 1.747 -8.252 1.00 1.00 C ATOM 878 O TYR A 225 50.257 1.914 -8.016 1.00 1.00 O ATOM 879 CB TYR A 225 51.188 2.612 -10.574 1.00 1.00 C ATOM 880 CG TYR A 225 51.685 3.673 -11.533 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.884 3.479 -12.224 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.953 4.850 -11.722 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.354 4.461 -13.108 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.419 5.833 -12.603 1.00 1.00 C ATOM 885 CZ TYR A 225 52.620 5.639 -13.296 1.00 1.00 C ATOM 886 OH TYR A 225 53.082 6.609 -14.165 1.00 1.00 O ATOM 0 H TYR A 225 53.254 1.196 -10.592 1.00 1.00 H new ATOM 0 HA TYR A 225 52.398 3.499 -9.021 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.120 1.651 -11.084 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.184 2.862 -10.230 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.450 2.571 -12.077 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.027 5.001 -11.187 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.280 4.309 -13.643 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.852 6.741 -12.748 1.00 1.00 H new ATOM 0 HH TYR A 225 52.454 7.361 -14.180 1.00 1.00 H new ATOM 896 N LEU A 226 52.221 0.927 -7.550 1.00 1.00 N ATOM 897 CA LEU A 226 51.686 0.162 -6.433 1.00 1.00 C ATOM 898 C LEU A 226 52.788 -0.157 -5.432 1.00 1.00 C ATOM 899 O LEU A 226 53.964 0.105 -5.687 1.00 1.00 O ATOM 900 CB LEU A 226 51.047 -1.127 -6.935 1.00 1.00 C ATOM 901 CG LEU A 226 52.082 -1.963 -7.702 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.055 -2.682 -6.727 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.344 -2.981 -8.587 1.00 1.00 C ATOM 0 H LEU A 226 53.213 0.774 -7.733 1.00 1.00 H new ATOM 0 HA LEU A 226 50.925 0.762 -5.935 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.656 -1.700 -6.094 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.202 -0.895 -7.583 1.00 1.00 H new ATOM 0 HG LEU A 226 52.682 -1.303 -8.329 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.777 -3.266 -7.298 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.582 -1.941 -6.127 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.490 -3.344 -6.071 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.071 -3.580 -9.136 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.735 -3.633 -7.961 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.702 -2.452 -9.292 1.00 1.00 H new ATOM 915 N VAL A 227 52.405 -0.727 -4.294 1.00 1.00 N ATOM 916 CA VAL A 227 53.376 -1.087 -3.257 1.00 1.00 C ATOM 917 C VAL A 227 53.021 -2.431 -2.630 1.00 1.00 C ATOM 918 O VAL A 227 51.868 -2.862 -2.673 1.00 1.00 O ATOM 919 CB VAL A 227 53.408 -0.012 -2.178 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.505 -0.336 -1.166 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.693 1.346 -2.822 1.00 1.00 C ATOM 0 H VAL A 227 51.437 -0.950 -4.064 1.00 1.00 H new ATOM 0 HA VAL A 227 54.360 -1.166 -3.720 1.00 1.00 H new ATOM 0 HB VAL A 227 52.445 0.021 -1.669 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.527 0.434 -0.394 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.303 -1.304 -0.707 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.469 -0.369 -1.673 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.716 2.116 -2.051 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.656 1.312 -3.331 1.00 1.00 H new ATOM 0 HG23 VAL A 227 52.910 1.578 -3.544 1.00 1.00 H new ATOM 931 N GLU A 228 54.018 -3.090 -2.047 1.00 1.00 N ATOM 932 CA GLU A 228 53.798 -4.383 -1.411 1.00 1.00 C ATOM 933 C GLU A 228 52.914 -4.228 -0.184 1.00 1.00 C ATOM 934 O GLU A 228 52.942 -3.197 0.487 1.00 1.00 O ATOM 935 CB GLU A 228 55.133 -5.002 -0.997 1.00 1.00 C ATOM 936 CG GLU A 228 55.896 -5.443 -2.241 1.00 1.00 C ATOM 937 CD GLU A 228 57.270 -5.982 -1.848 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.548 -6.031 -0.661 1.00 1.00 O ATOM 939 OE2 GLU A 228 58.024 -6.337 -2.740 1.00 1.00 O ATOM 0 H GLU A 228 54.979 -2.752 -2.002 1.00 1.00 H new ATOM 0 HA GLU A 228 53.303 -5.037 -2.129 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.722 -4.279 -0.433 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.962 -5.855 -0.340 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.332 -6.212 -2.770 1.00 1.00 H new ATOM 0 HG3 GLU A 228 56.008 -4.602 -2.926 1.00 1.00 H new ATOM 946 N LYS A 229 52.127 -5.263 0.103 1.00 1.00 N ATOM 947 CA LYS A 229 51.224 -5.248 1.259 1.00 1.00 C ATOM 948 C LYS A 229 51.635 -6.309 2.274 1.00 1.00 C ATOM 949 O LYS A 229 51.314 -6.209 3.458 1.00 1.00 O ATOM 950 CB LYS A 229 49.783 -5.503 0.807 1.00 1.00 C ATOM 951 CG LYS A 229 48.842 -5.313 1.994 1.00 1.00 C ATOM 952 CD LYS A 229 47.398 -5.440 1.516 1.00 1.00 C ATOM 953 CE LYS A 229 46.452 -5.354 2.716 1.00 1.00 C ATOM 954 NZ LYS A 229 46.571 -4.009 3.349 1.00 1.00 N ATOM 0 H LYS A 229 52.094 -6.122 -0.446 1.00 1.00 H new ATOM 0 HA LYS A 229 51.287 -4.266 1.729 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.515 -4.818 0.002 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.687 -6.514 0.410 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.050 -6.059 2.761 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.003 -4.335 2.448 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.169 -4.649 0.802 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.258 -6.388 0.997 1.00 1.00 H new ATOM 0 HE2 LYS A 229 45.425 -5.527 2.396 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.695 -6.131 3.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 45.776 -3.862 4.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 47.467 -3.950 3.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 46.553 -3.276 2.612 1.00 1.00 H new