USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=15 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 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 84:sc= 0.112 USER MOD Single : A 198 TYR OH : rot 148:sc= -1.05 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot -28:sc= 0.867 USER MOD Single : A 212 GLN :FLIP amide:sc= -0.926 F(o=-2.7!,f=-0.93) USER MOD Single : A 214 LYS NZ :NH3+ -179:sc= -0.23 (180deg=-0.244) USER MOD Single : A 215 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.8!) USER MOD Single : A 217 HIS :FLIP no HD1:sc= -0.142 F(o=-0.82,f=-0.14) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.996 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ -116:sc= -0.268! (180deg=-1.77!) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.864 -12.624 -1.185 1.00 1.00 N ATOM 66 CA THR A 174 52.675 -11.198 -0.917 1.00 1.00 C ATOM 67 C THR A 174 51.552 -10.610 -1.780 1.00 1.00 C ATOM 68 O THR A 174 51.250 -11.102 -2.865 1.00 1.00 O ATOM 69 CB THR A 174 53.993 -10.424 -1.180 1.00 1.00 C ATOM 70 OG1 THR A 174 54.334 -9.653 -0.043 1.00 1.00 O ATOM 71 CG2 THR A 174 53.876 -9.484 -2.403 1.00 1.00 C ATOM 0 HA THR A 174 52.393 -11.093 0.131 1.00 1.00 H new ATOM 0 HB THR A 174 54.767 -11.163 -1.386 1.00 1.00 H new ATOM 0 HG1 THR A 174 55.168 -9.168 -0.215 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.821 -8.961 -2.552 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.642 -10.070 -3.292 1.00 1.00 H new ATOM 0 HG23 THR A 174 53.083 -8.757 -2.229 1.00 1.00 H new ATOM 79 N LEU A 175 50.952 -9.536 -1.297 1.00 1.00 N ATOM 80 CA LEU A 175 49.903 -8.857 -2.054 1.00 1.00 C ATOM 81 C LEU A 175 50.326 -7.432 -2.333 1.00 1.00 C ATOM 82 O LEU A 175 51.181 -6.881 -1.640 1.00 1.00 O ATOM 83 CB LEU A 175 48.590 -8.872 -1.288 1.00 1.00 C ATOM 84 CG LEU A 175 48.196 -10.335 -0.963 1.00 1.00 C ATOM 85 CD1 LEU A 175 48.698 -10.713 0.441 1.00 1.00 C ATOM 86 CD2 LEU A 175 46.665 -10.473 -1.029 1.00 1.00 C ATOM 0 H LEU A 175 51.167 -9.115 -0.393 1.00 1.00 H new ATOM 0 HA LEU A 175 49.752 -9.383 -2.997 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.688 -8.298 -0.367 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.807 -8.396 -1.879 1.00 1.00 H new ATOM 0 HG LEU A 175 48.653 -11.006 -1.691 1.00 1.00 H new ATOM 0 HD11 LEU A 175 48.417 -11.743 0.663 1.00 1.00 H new ATOM 0 HD12 LEU A 175 49.783 -10.617 0.478 1.00 1.00 H new ATOM 0 HD13 LEU A 175 48.250 -10.048 1.179 1.00 1.00 H new ATOM 0 HD21 LEU A 175 46.382 -11.501 -0.801 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.207 -9.801 -0.303 1.00 1.00 H new ATOM 0 HD23 LEU A 175 46.319 -10.215 -2.030 1.00 1.00 H new ATOM 98 N VAL A 176 49.731 -6.837 -3.359 1.00 1.00 N ATOM 99 CA VAL A 176 50.057 -5.463 -3.746 1.00 1.00 C ATOM 100 C VAL A 176 48.809 -4.593 -3.731 1.00 1.00 C ATOM 101 O VAL A 176 47.690 -5.097 -3.811 1.00 1.00 O ATOM 102 CB VAL A 176 50.653 -5.448 -5.148 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.947 -6.256 -5.161 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.671 -6.065 -6.142 1.00 1.00 C ATOM 0 H VAL A 176 49.020 -7.281 -3.940 1.00 1.00 H new ATOM 0 HA VAL A 176 50.779 -5.068 -3.031 1.00 1.00 H new ATOM 0 HB VAL A 176 50.856 -4.416 -5.433 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.373 -6.245 -6.164 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.657 -5.817 -4.460 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.737 -7.284 -4.868 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.107 -6.049 -7.141 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.461 -7.095 -5.854 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.744 -5.491 -6.141 1.00 1.00 H new ATOM 114 N ILE A 177 49.012 -3.280 -3.618 1.00 1.00 N ATOM 115 CA ILE A 177 47.897 -2.334 -3.585 1.00 1.00 C ATOM 116 C ILE A 177 48.083 -1.270 -4.656 1.00 1.00 C ATOM 117 O ILE A 177 49.157 -0.677 -4.780 1.00 1.00 O ATOM 118 CB ILE A 177 47.810 -1.672 -2.209 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.713 -2.758 -1.129 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.562 -0.782 -2.139 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.468 -2.111 0.241 1.00 1.00 C ATOM 0 H ILE A 177 49.934 -2.849 -3.548 1.00 1.00 H new ATOM 0 HA ILE A 177 46.972 -2.877 -3.778 1.00 1.00 H new ATOM 0 HB ILE A 177 48.700 -1.064 -2.046 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.902 -3.447 -1.366 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.632 -3.343 -1.106 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.504 -0.313 -1.157 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.622 -0.011 -2.907 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.672 -1.390 -2.303 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.400 -2.887 1.003 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.293 -1.440 0.479 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.536 -1.546 0.215 1.00 1.00 H new ATOM 133 N ALA A 178 47.026 -1.040 -5.427 1.00 1.00 N ATOM 134 CA ALA A 178 47.072 -0.046 -6.494 1.00 1.00 C ATOM 135 C ALA A 178 46.957 1.370 -5.925 1.00 1.00 C ATOM 136 O ALA A 178 45.930 1.743 -5.360 1.00 1.00 O ATOM 137 CB ALA A 178 45.932 -0.299 -7.498 1.00 1.00 C ATOM 0 H ALA A 178 46.133 -1.524 -5.335 1.00 1.00 H new ATOM 0 HA ALA A 178 48.031 -0.136 -7.005 1.00 1.00 H new ATOM 0 HB1 ALA A 178 45.973 0.447 -8.291 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.041 -1.294 -7.930 1.00 1.00 H new ATOM 0 HB3 ALA A 178 44.973 -0.230 -6.985 1.00 1.00 H new ATOM 143 N LEU A 179 48.012 2.154 -6.095 1.00 1.00 N ATOM 144 CA LEU A 179 48.012 3.526 -5.611 1.00 1.00 C ATOM 145 C LEU A 179 46.959 4.348 -6.337 1.00 1.00 C ATOM 146 O LEU A 179 46.270 5.164 -5.730 1.00 1.00 O ATOM 147 CB LEU A 179 49.391 4.153 -5.819 1.00 1.00 C ATOM 148 CG LEU A 179 50.405 3.473 -4.890 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.819 3.927 -5.264 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.114 3.836 -3.413 1.00 1.00 C ATOM 0 H LEU A 179 48.873 1.866 -6.561 1.00 1.00 H new ATOM 0 HA LEU A 179 47.777 3.517 -4.547 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.701 4.041 -6.858 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.351 5.222 -5.612 1.00 1.00 H new ATOM 0 HG LEU A 179 50.322 2.392 -5.005 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.542 3.445 -4.605 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.029 3.650 -6.297 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.894 5.009 -5.156 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.842 3.345 -2.767 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.183 4.916 -3.283 1.00 1.00 H new ATOM 0 HD23 LEU A 179 49.111 3.502 -3.147 1.00 1.00 H new ATOM 162 N TYR A 180 46.845 4.132 -7.645 1.00 1.00 N ATOM 163 CA TYR A 180 45.873 4.865 -8.462 1.00 1.00 C ATOM 164 C TYR A 180 45.145 3.915 -9.403 1.00 1.00 C ATOM 165 O TYR A 180 45.585 2.786 -9.625 1.00 1.00 O ATOM 166 CB TYR A 180 46.585 5.947 -9.274 1.00 1.00 C ATOM 167 CG TYR A 180 47.587 6.661 -8.395 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.143 7.484 -7.352 1.00 1.00 C ATOM 169 CD2 TYR A 180 48.961 6.500 -8.622 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.073 8.146 -6.539 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.888 7.162 -7.810 1.00 1.00 C ATOM 172 CZ TYR A 180 49.444 7.985 -6.767 1.00 1.00 C ATOM 173 OH TYR A 180 50.359 8.636 -5.967 1.00 1.00 O ATOM 0 H TYR A 180 47.410 3.459 -8.163 1.00 1.00 H new ATOM 0 HA TYR A 180 45.144 5.331 -7.799 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.090 5.500 -10.131 1.00 1.00 H new ATOM 0 HB3 TYR A 180 45.859 6.658 -9.667 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.085 7.608 -7.175 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.304 5.864 -9.425 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.731 8.781 -5.735 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.946 7.039 -7.987 1.00 1.00 H new ATOM 0 HH TYR A 180 51.267 8.414 -6.261 1.00 1.00 H new ATOM 183 N ASP A 181 44.025 4.376 -9.947 1.00 1.00 N ATOM 184 CA ASP A 181 43.239 3.555 -10.858 1.00 1.00 C ATOM 185 C ASP A 181 43.995 3.344 -12.162 1.00 1.00 C ATOM 186 O ASP A 181 44.000 4.213 -13.034 1.00 1.00 O ATOM 187 CB ASP A 181 41.903 4.239 -11.153 1.00 1.00 C ATOM 188 CG ASP A 181 41.017 4.200 -9.915 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.314 3.423 -9.026 1.00 1.00 O ATOM 190 OD2 ASP A 181 40.052 4.947 -9.875 1.00 1.00 O ATOM 0 H ASP A 181 43.644 5.306 -9.775 1.00 1.00 H new ATOM 0 HA ASP A 181 43.058 2.588 -10.388 1.00 1.00 H new ATOM 0 HB2 ASP A 181 42.073 5.272 -11.457 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.404 3.740 -11.984 1.00 1.00 H new ATOM 195 N TYR A 182 44.635 2.183 -12.292 1.00 1.00 N ATOM 196 CA TYR A 182 45.396 1.868 -13.500 1.00 1.00 C ATOM 197 C TYR A 182 44.547 1.046 -14.456 1.00 1.00 C ATOM 198 O TYR A 182 43.959 0.041 -14.062 1.00 1.00 O ATOM 199 CB TYR A 182 46.655 1.083 -13.131 1.00 1.00 C ATOM 200 CG TYR A 182 47.496 0.870 -14.367 1.00 1.00 C ATOM 201 CD1 TYR A 182 48.150 1.956 -14.957 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.621 -0.410 -14.924 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.933 1.765 -16.102 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.403 -0.602 -16.068 1.00 1.00 C ATOM 205 CZ TYR A 182 49.058 0.486 -16.659 1.00 1.00 C ATOM 206 OH TYR A 182 49.828 0.296 -17.788 1.00 1.00 O ATOM 0 H TYR A 182 44.642 1.450 -11.582 1.00 1.00 H new ATOM 0 HA TYR A 182 45.680 2.801 -13.988 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.227 1.625 -12.378 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.382 0.123 -12.694 1.00 1.00 H new ATOM 0 HD1 TYR A 182 48.051 2.943 -14.529 1.00 1.00 H new ATOM 0 HD2 TYR A 182 47.114 -1.248 -14.470 1.00 1.00 H new ATOM 0 HE1 TYR A 182 49.440 2.604 -16.556 1.00 1.00 H new ATOM 0 HE2 TYR A 182 48.502 -1.589 -16.495 1.00 1.00 H new ATOM 0 HH TYR A 182 49.808 -0.650 -18.042 1.00 1.00 H new ATOM 319 N LEU A 190 44.897 -5.885 -16.581 1.00 1.00 N ATOM 320 CA LEU A 190 44.064 -5.989 -15.390 1.00 1.00 C ATOM 321 C LEU A 190 43.854 -4.614 -14.768 1.00 1.00 C ATOM 322 O LEU A 190 44.717 -4.109 -14.049 1.00 1.00 O ATOM 323 CB LEU A 190 44.723 -6.916 -14.369 1.00 1.00 C ATOM 324 CG LEU A 190 43.715 -7.275 -13.263 1.00 1.00 C ATOM 325 CD1 LEU A 190 42.786 -8.400 -13.734 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.470 -7.740 -12.022 1.00 1.00 C ATOM 0 HA LEU A 190 43.097 -6.400 -15.679 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.075 -7.823 -14.861 1.00 1.00 H new ATOM 0 HB3 LEU A 190 45.596 -6.430 -13.934 1.00 1.00 H new ATOM 0 HG LEU A 190 43.119 -6.393 -13.030 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.078 -8.643 -12.941 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.241 -8.075 -14.620 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.378 -9.283 -13.976 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.758 -7.995 -11.237 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.069 -8.617 -12.268 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.124 -6.941 -11.673 1.00 1.00 H new ATOM 338 N ALA A 191 42.697 -4.017 -15.043 1.00 1.00 N ATOM 339 CA ALA A 191 42.391 -2.697 -14.503 1.00 1.00 C ATOM 340 C ALA A 191 42.454 -2.728 -12.980 1.00 1.00 C ATOM 341 O ALA A 191 41.753 -3.509 -12.337 1.00 1.00 O ATOM 342 CB ALA A 191 40.998 -2.261 -14.954 1.00 1.00 C ATOM 0 H ALA A 191 41.966 -4.420 -15.628 1.00 1.00 H new ATOM 0 HA ALA A 191 43.127 -1.984 -14.875 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.776 -1.274 -14.547 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.964 -2.221 -16.043 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.259 -2.977 -14.594 1.00 1.00 H new ATOM 348 N LEU A 192 43.310 -1.885 -12.412 1.00 1.00 N ATOM 349 CA LEU A 192 43.480 -1.828 -10.960 1.00 1.00 C ATOM 350 C LEU A 192 42.685 -0.675 -10.371 1.00 1.00 C ATOM 351 O LEU A 192 42.542 0.376 -10.993 1.00 1.00 O ATOM 352 CB LEU A 192 44.951 -1.641 -10.623 1.00 1.00 C ATOM 353 CG LEU A 192 45.800 -2.647 -11.417 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.285 -2.381 -11.158 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.451 -4.085 -10.980 1.00 1.00 C ATOM 0 H LEU A 192 43.897 -1.232 -12.932 1.00 1.00 H new ATOM 0 HA LEU A 192 43.116 -2.763 -10.535 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.261 -0.623 -10.860 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.109 -1.782 -9.554 1.00 1.00 H new ATOM 0 HG LEU A 192 45.590 -2.533 -12.480 1.00 1.00 H new ATOM 0 HD11 LEU A 192 47.886 -3.095 -11.721 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.534 -1.368 -11.474 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.494 -2.491 -10.094 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.055 -4.794 -11.546 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.656 -4.202 -9.916 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.395 -4.277 -11.169 1.00 1.00 H new ATOM 367 N ARG A 193 42.162 -0.884 -9.167 1.00 1.00 N ATOM 368 CA ARG A 193 41.358 0.140 -8.485 1.00 1.00 C ATOM 369 C ARG A 193 42.161 0.749 -7.339 1.00 1.00 C ATOM 370 O ARG A 193 42.949 0.064 -6.691 1.00 1.00 O ATOM 371 CB ARG A 193 40.042 -0.481 -7.944 1.00 1.00 C ATOM 372 CG ARG A 193 39.933 -1.928 -8.397 1.00 1.00 C ATOM 373 CD ARG A 193 38.619 -2.517 -7.902 1.00 1.00 C ATOM 374 NE ARG A 193 38.508 -3.912 -8.308 1.00 1.00 N ATOM 375 CZ ARG A 193 37.342 -4.545 -8.264 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.273 -3.918 -7.854 1.00 1.00 N ATOM 377 NH2 ARG A 193 37.262 -5.795 -8.632 1.00 1.00 N ATOM 0 H ARG A 193 42.277 -1.749 -8.639 1.00 1.00 H new ATOM 0 HA ARG A 193 41.105 0.924 -9.199 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.025 -0.429 -6.855 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.185 0.088 -8.304 1.00 1.00 H new ATOM 0 HG2 ARG A 193 39.982 -1.985 -9.484 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.772 -2.506 -8.009 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.564 -2.441 -6.816 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.782 -1.946 -8.304 1.00 1.00 H new ATOM 0 HE ARG A 193 39.338 -4.409 -8.631 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.333 -2.941 -7.567 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.377 -4.405 -7.820 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.096 -6.286 -8.954 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.366 -6.280 -8.598 1.00 1.00 H new ATOM 391 N CYS A 194 41.954 2.031 -7.101 1.00 1.00 N ATOM 392 CA CYS A 194 42.662 2.720 -6.037 1.00 1.00 C ATOM 393 C CYS A 194 42.185 2.231 -4.677 1.00 1.00 C ATOM 394 O CYS A 194 40.984 2.147 -4.429 1.00 1.00 O ATOM 395 CB CYS A 194 42.416 4.225 -6.136 1.00 1.00 C ATOM 396 SG CYS A 194 43.025 5.048 -4.638 1.00 1.00 S ATOM 0 H CYS A 194 41.304 2.615 -7.628 1.00 1.00 H new ATOM 0 HA CYS A 194 43.726 2.511 -6.143 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.921 4.628 -7.014 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.351 4.421 -6.262 1.00 1.00 H new ATOM 0 HG CYS A 194 44.302 5.265 -4.750 1.00 1.00 H new ATOM 402 N ASP A 195 43.144 1.913 -3.806 1.00 1.00 N ATOM 403 CA ASP A 195 42.837 1.433 -2.455 1.00 1.00 C ATOM 404 C ASP A 195 42.577 -0.073 -2.467 1.00 1.00 C ATOM 405 O ASP A 195 42.627 -0.728 -1.426 1.00 1.00 O ATOM 406 CB ASP A 195 41.595 2.171 -1.899 1.00 1.00 C ATOM 407 CG ASP A 195 41.662 2.276 -0.382 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.439 1.548 0.208 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.929 3.084 0.165 1.00 1.00 O ATOM 0 H ASP A 195 44.141 1.979 -4.011 1.00 1.00 H new ATOM 0 HA ASP A 195 43.695 1.637 -1.814 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.534 3.168 -2.335 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.689 1.639 -2.191 1.00 1.00 H new ATOM 414 N GLU A 196 42.308 -0.611 -3.650 1.00 1.00 N ATOM 415 CA GLU A 196 42.049 -2.032 -3.778 1.00 1.00 C ATOM 416 C GLU A 196 43.352 -2.813 -3.660 1.00 1.00 C ATOM 417 O GLU A 196 44.433 -2.268 -3.876 1.00 1.00 O ATOM 418 CB GLU A 196 41.369 -2.327 -5.123 1.00 1.00 C ATOM 419 CG GLU A 196 41.238 -3.837 -5.326 1.00 1.00 C ATOM 420 CD GLU A 196 40.490 -4.460 -4.152 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.640 -3.785 -3.594 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.774 -5.602 -3.830 1.00 1.00 O ATOM 0 H GLU A 196 42.265 -0.088 -4.524 1.00 1.00 H new ATOM 0 HA GLU A 196 41.381 -2.343 -2.975 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.384 -1.862 -5.151 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.950 -1.892 -5.936 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.707 -4.042 -6.256 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.227 -4.287 -5.417 1.00 1.00 H new ATOM 429 N GLU A 197 43.235 -4.102 -3.332 1.00 1.00 N ATOM 430 CA GLU A 197 44.401 -4.977 -3.202 1.00 1.00 C ATOM 431 C GLU A 197 44.306 -6.132 -4.198 1.00 1.00 C ATOM 432 O GLU A 197 43.216 -6.541 -4.594 1.00 1.00 O ATOM 433 CB GLU A 197 44.489 -5.521 -1.779 1.00 1.00 C ATOM 434 CG GLU A 197 43.090 -5.868 -1.291 1.00 1.00 C ATOM 435 CD GLU A 197 43.179 -6.696 -0.013 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.056 -6.417 0.787 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.372 -7.597 0.147 1.00 1.00 O ATOM 0 H GLU A 197 42.343 -4.563 -3.152 1.00 1.00 H new ATOM 0 HA GLU A 197 45.300 -4.400 -3.417 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.126 -6.405 -1.753 1.00 1.00 H new ATOM 0 HB3 GLU A 197 44.944 -4.781 -1.121 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.523 -4.956 -1.105 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.555 -6.425 -2.060 1.00 1.00 H new ATOM 444 N TYR A 198 45.464 -6.643 -4.598 1.00 1.00 N ATOM 445 CA TYR A 198 45.536 -7.746 -5.558 1.00 1.00 C ATOM 446 C TYR A 198 46.525 -8.798 -5.080 1.00 1.00 C ATOM 447 O TYR A 198 47.318 -8.557 -4.177 1.00 1.00 O ATOM 448 CB TYR A 198 45.985 -7.228 -6.919 1.00 1.00 C ATOM 449 CG TYR A 198 44.874 -6.419 -7.546 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.575 -5.143 -7.054 1.00 1.00 C ATOM 451 CD2 TYR A 198 44.148 -6.944 -8.622 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.544 -4.391 -7.633 1.00 1.00 C ATOM 453 CE2 TYR A 198 43.118 -6.186 -9.201 1.00 1.00 C ATOM 454 CZ TYR A 198 42.817 -4.912 -8.705 1.00 1.00 C ATOM 455 OH TYR A 198 41.792 -4.178 -9.267 1.00 1.00 O ATOM 0 H TYR A 198 46.372 -6.312 -4.273 1.00 1.00 H new ATOM 0 HA TYR A 198 44.544 -8.191 -5.643 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.878 -6.613 -6.809 1.00 1.00 H new ATOM 0 HB3 TYR A 198 46.251 -8.063 -7.567 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.140 -4.738 -6.227 1.00 1.00 H new ATOM 0 HD2 TYR A 198 44.379 -7.927 -9.005 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.312 -3.408 -7.250 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.556 -6.587 -10.032 1.00 1.00 H new ATOM 0 HH TYR A 198 41.735 -4.376 -10.225 1.00 1.00 H new ATOM 465 N TYR A 199 46.472 -9.967 -5.698 1.00 1.00 N ATOM 466 CA TYR A 199 47.373 -11.066 -5.341 1.00 1.00 C ATOM 467 C TYR A 199 48.540 -11.098 -6.299 1.00 1.00 C ATOM 468 O TYR A 199 48.349 -11.077 -7.505 1.00 1.00 O ATOM 469 CB TYR A 199 46.610 -12.407 -5.396 1.00 1.00 C ATOM 470 CG TYR A 199 46.041 -12.723 -4.042 1.00 1.00 C ATOM 471 CD1 TYR A 199 46.861 -13.295 -3.065 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.705 -12.434 -3.761 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.342 -13.587 -1.802 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.179 -12.726 -2.500 1.00 1.00 C ATOM 475 CZ TYR A 199 44.998 -13.300 -1.516 1.00 1.00 C ATOM 476 OH TYR A 199 44.484 -13.580 -0.269 1.00 1.00 O ATOM 0 H TYR A 199 45.818 -10.185 -6.449 1.00 1.00 H new ATOM 0 HA TYR A 199 47.746 -10.911 -4.329 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.809 -12.351 -6.133 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.281 -13.205 -5.714 1.00 1.00 H new ATOM 0 HD1 TYR A 199 47.896 -13.511 -3.287 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.078 -11.985 -4.517 1.00 1.00 H new ATOM 0 HE1 TYR A 199 46.973 -14.032 -1.047 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.143 -12.510 -2.283 1.00 1.00 H new ATOM 0 HH TYR A 199 43.540 -13.319 -0.238 1.00 1.00 H new ATOM 486 N LEU A 200 49.752 -11.140 -5.751 1.00 1.00 N ATOM 487 CA LEU A 200 50.949 -11.161 -6.579 1.00 1.00 C ATOM 488 C LEU A 200 51.297 -12.589 -6.997 1.00 1.00 C ATOM 489 O LEU A 200 51.329 -13.499 -6.171 1.00 1.00 O ATOM 490 CB LEU A 200 52.128 -10.567 -5.809 1.00 1.00 C ATOM 491 CG LEU A 200 53.354 -10.416 -6.726 1.00 1.00 C ATOM 492 CD1 LEU A 200 53.042 -9.436 -7.858 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.538 -9.900 -5.905 1.00 1.00 C ATOM 0 H LEU A 200 49.928 -11.160 -4.746 1.00 1.00 H new ATOM 0 HA LEU A 200 50.751 -10.567 -7.472 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.850 -9.595 -5.401 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.377 -11.208 -4.963 1.00 1.00 H new ATOM 0 HG LEU A 200 53.604 -11.385 -7.158 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.915 -9.335 -8.503 1.00 1.00 H new ATOM 0 HD12 LEU A 200 52.201 -9.810 -8.442 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.787 -8.463 -7.437 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.409 -9.792 -6.551 1.00 1.00 H new ATOM 0 HD22 LEU A 200 54.286 -8.933 -5.471 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.764 -10.608 -5.107 1.00 1.00 H new ATOM 505 N LEU A 201 51.554 -12.770 -8.290 1.00 1.00 N ATOM 506 CA LEU A 201 51.906 -14.091 -8.830 1.00 1.00 C ATOM 507 C LEU A 201 53.377 -14.144 -9.204 1.00 1.00 C ATOM 508 O LEU A 201 54.155 -14.875 -8.596 1.00 1.00 O ATOM 509 CB LEU A 201 51.043 -14.408 -10.058 1.00 1.00 C ATOM 510 CG LEU A 201 49.617 -14.816 -9.614 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.758 -13.575 -9.414 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.991 -15.704 -10.683 1.00 1.00 C ATOM 0 H LEU A 201 51.527 -12.024 -8.986 1.00 1.00 H new ATOM 0 HA LEU A 201 51.717 -14.837 -8.058 1.00 1.00 H new ATOM 0 HB2 LEU A 201 50.994 -13.538 -10.712 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.498 -15.214 -10.634 1.00 1.00 H new ATOM 0 HG LEU A 201 49.676 -15.361 -8.672 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.757 -13.872 -9.102 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.205 -12.943 -8.647 1.00 1.00 H new ATOM 0 HD13 LEU A 201 48.696 -13.020 -10.350 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.987 -15.993 -10.373 1.00 1.00 H new ATOM 0 HD22 LEU A 201 48.937 -15.157 -11.624 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.601 -16.598 -10.817 1.00 1.00 H new ATOM 524 N ASP A 202 53.752 -13.364 -10.209 1.00 1.00 N ATOM 525 CA ASP A 202 55.142 -13.329 -10.659 1.00 1.00 C ATOM 526 C ASP A 202 55.891 -12.209 -9.957 1.00 1.00 C ATOM 527 O ASP A 202 55.927 -11.079 -10.439 1.00 1.00 O ATOM 528 CB ASP A 202 55.197 -13.116 -12.170 1.00 1.00 C ATOM 529 CG ASP A 202 56.625 -13.296 -12.668 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.509 -13.434 -11.839 1.00 1.00 O ATOM 531 OD2 ASP A 202 56.814 -13.300 -13.875 1.00 1.00 O ATOM 0 H ASP A 202 53.121 -12.751 -10.726 1.00 1.00 H new ATOM 0 HA ASP A 202 55.613 -14.281 -10.414 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.536 -13.824 -12.670 1.00 1.00 H new ATOM 0 HB3 ASP A 202 54.839 -12.117 -12.418 1.00 1.00 H new ATOM 536 N SER A 203 56.490 -12.528 -8.812 1.00 1.00 N ATOM 537 CA SER A 203 57.238 -11.531 -8.048 1.00 1.00 C ATOM 538 C SER A 203 58.714 -11.559 -8.435 1.00 1.00 C ATOM 539 O SER A 203 59.387 -12.576 -8.265 1.00 1.00 O ATOM 540 CB SER A 203 57.097 -11.821 -6.558 1.00 1.00 C ATOM 541 OG SER A 203 58.159 -12.666 -6.130 1.00 1.00 O ATOM 0 H SER A 203 56.473 -13.459 -8.396 1.00 1.00 H new ATOM 0 HA SER A 203 56.835 -10.543 -8.271 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.112 -10.889 -5.994 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.137 -12.299 -6.360 1.00 1.00 H new ATOM 0 HG SER A 203 58.462 -13.217 -6.882 1.00 1.00 H new ATOM 609 N TRP A 208 57.749 -7.899 -15.516 1.00 1.00 N ATOM 610 CA TRP A 208 56.416 -7.414 -15.173 1.00 1.00 C ATOM 611 C TRP A 208 55.812 -8.237 -14.046 1.00 1.00 C ATOM 612 O TRP A 208 55.979 -9.453 -13.993 1.00 1.00 O ATOM 613 CB TRP A 208 55.507 -7.498 -16.407 1.00 1.00 C ATOM 614 CG TRP A 208 55.819 -6.377 -17.342 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.724 -6.429 -18.343 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.237 -5.042 -17.379 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.743 -5.210 -18.990 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.840 -4.320 -18.434 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.253 -4.396 -16.606 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.482 -2.999 -18.712 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.890 -3.069 -16.881 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.501 -2.371 -17.933 1.00 1.00 C ATOM 0 HA TRP A 208 56.501 -6.379 -14.841 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.650 -8.454 -16.911 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.461 -7.450 -16.104 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.333 -7.284 -18.596 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.348 -4.992 -19.781 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.774 -4.926 -15.796 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.958 -2.465 -19.521 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.136 -2.583 -16.280 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.216 -1.351 -18.142 1.00 1.00 H new ATOM 633 N TRP A 209 55.101 -7.564 -13.156 1.00 1.00 N ATOM 634 CA TRP A 209 54.466 -8.242 -12.024 1.00 1.00 C ATOM 635 C TRP A 209 53.081 -8.722 -12.393 1.00 1.00 C ATOM 636 O TRP A 209 52.186 -7.932 -12.691 1.00 1.00 O ATOM 637 CB TRP A 209 54.391 -7.274 -10.818 1.00 1.00 C ATOM 638 CG TRP A 209 55.564 -7.463 -9.893 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.742 -8.060 -10.205 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.687 -7.044 -8.507 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.546 -8.068 -9.098 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.958 -7.436 -8.033 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.833 -6.364 -7.625 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.363 -7.181 -6.731 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.239 -6.099 -6.309 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.505 -6.500 -5.866 1.00 1.00 C ATOM 0 H TRP A 209 54.946 -6.556 -13.189 1.00 1.00 H new ATOM 0 HA TRP A 209 55.065 -9.112 -11.755 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.369 -6.245 -11.176 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.463 -7.441 -10.271 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.003 -8.464 -11.172 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.473 -8.494 -9.069 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.858 -6.043 -7.961 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.334 -7.507 -6.389 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.572 -5.583 -5.634 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.818 -6.283 -4.855 1.00 1.00 H new ATOM 657 N ARG A 210 52.919 -10.039 -12.348 1.00 1.00 N ATOM 658 CA ARG A 210 51.639 -10.651 -12.655 1.00 1.00 C ATOM 659 C ARG A 210 50.782 -10.713 -11.409 1.00 1.00 C ATOM 660 O ARG A 210 51.217 -11.219 -10.374 1.00 1.00 O ATOM 661 CB ARG A 210 51.838 -12.066 -13.209 1.00 1.00 C ATOM 662 CG ARG A 210 52.324 -11.986 -14.654 1.00 1.00 C ATOM 663 CD ARG A 210 52.576 -13.399 -15.182 1.00 1.00 C ATOM 664 NE ARG A 210 52.946 -13.348 -16.593 1.00 1.00 N ATOM 665 CZ ARG A 210 53.546 -14.374 -17.185 1.00 1.00 C ATOM 666 NH1 ARG A 210 53.817 -15.452 -16.503 1.00 1.00 N ATOM 667 NH2 ARG A 210 53.868 -14.302 -18.448 1.00 1.00 N ATOM 0 H ARG A 210 53.657 -10.699 -12.102 1.00 1.00 H new ATOM 0 HA ARG A 210 51.140 -10.043 -13.409 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.562 -12.607 -12.600 1.00 1.00 H new ATOM 0 HB3 ARG A 210 50.902 -12.622 -13.160 1.00 1.00 H new ATOM 0 HG2 ARG A 210 51.581 -11.482 -15.272 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.239 -11.396 -14.710 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.370 -13.874 -14.607 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.681 -14.008 -15.054 1.00 1.00 H new ATOM 0 HE ARG A 210 52.740 -12.509 -17.134 1.00 1.00 H new ATOM 0 HH11 ARG A 210 53.568 -15.507 -15.515 1.00 1.00 H new ATOM 0 HH12 ARG A 210 54.278 -16.240 -16.957 1.00 1.00 H new ATOM 0 HH21 ARG A 210 53.659 -13.457 -18.980 1.00 1.00 H new ATOM 0 HH22 ARG A 210 54.329 -15.090 -18.903 1.00 1.00 H new ATOM 681 N VAL A 211 49.559 -10.192 -11.508 1.00 1.00 N ATOM 682 CA VAL A 211 48.645 -10.195 -10.372 1.00 1.00 C ATOM 683 C VAL A 211 47.269 -10.693 -10.808 1.00 1.00 C ATOM 684 O VAL A 211 46.946 -10.683 -11.997 1.00 1.00 O ATOM 685 CB VAL A 211 48.525 -8.784 -9.789 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.920 -8.184 -9.639 1.00 1.00 C ATOM 687 CG2 VAL A 211 47.686 -7.904 -10.716 1.00 1.00 C ATOM 0 H VAL A 211 49.183 -9.767 -12.356 1.00 1.00 H new ATOM 0 HA VAL A 211 49.040 -10.863 -9.607 1.00 1.00 H new ATOM 0 HB VAL A 211 48.039 -8.836 -8.815 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.841 -7.179 -9.224 1.00 1.00 H new ATOM 0 HG12 VAL A 211 50.514 -8.807 -8.970 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.403 -8.137 -10.615 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.606 -6.903 -10.293 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.163 -7.848 -11.694 1.00 1.00 H new ATOM 0 HG23 VAL A 211 46.690 -8.333 -10.822 1.00 1.00 H new ATOM 697 N GLN A 212 46.454 -11.121 -9.845 1.00 1.00 N ATOM 698 CA GLN A 212 45.112 -11.611 -10.149 1.00 1.00 C ATOM 699 C GLN A 212 44.125 -11.167 -9.074 1.00 1.00 C ATOM 700 O GLN A 212 44.448 -11.178 -7.886 1.00 1.00 O ATOM 701 CB GLN A 212 45.138 -13.144 -10.246 1.00 1.00 C ATOM 702 CG GLN A 212 45.116 -13.758 -8.843 1.00 1.00 C ATOM 703 CD GLN A 212 45.549 -15.213 -8.894 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.625 -15.816 -10.045 1.00 1.00 O flip ATOM 705 NE2 GLN A 212 45.828 -15.814 -7.857 1.00 1.00 N flip ATOM 0 H GLN A 212 46.698 -11.138 -8.855 1.00 1.00 H new ATOM 0 HA GLN A 212 44.788 -11.194 -11.103 1.00 1.00 H new ATOM 0 HB2 GLN A 212 44.280 -13.495 -10.819 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.032 -13.468 -10.780 1.00 1.00 H new ATOM 0 HG2 GLN A 212 45.779 -13.198 -8.184 1.00 1.00 H new ATOM 0 HG3 GLN A 212 44.113 -13.685 -8.423 1.00 1.00 H new ATOM 0 HE21 GLN A 212 45.766 -15.336 -6.958 1.00 1.00 H new ATOM 0 HE22 GLN A 212 46.121 -16.790 -7.896 1.00 1.00 H new ATOM 714 N ASP A 213 42.920 -10.800 -9.490 1.00 1.00 N ATOM 715 CA ASP A 213 41.894 -10.373 -8.547 1.00 1.00 C ATOM 716 C ASP A 213 41.071 -11.573 -8.085 1.00 1.00 C ATOM 717 O ASP A 213 41.077 -12.629 -8.721 1.00 1.00 O ATOM 718 CB ASP A 213 40.968 -9.359 -9.212 1.00 1.00 C ATOM 719 CG ASP A 213 40.079 -8.700 -8.166 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.414 -8.782 -6.998 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.080 -8.116 -8.551 1.00 1.00 O ATOM 0 H ASP A 213 42.630 -10.789 -10.468 1.00 1.00 H new ATOM 0 HA ASP A 213 42.382 -9.916 -7.686 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.557 -8.602 -9.730 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.353 -9.854 -9.964 1.00 1.00 H new ATOM 726 N LYS A 214 40.364 -11.398 -6.980 1.00 1.00 N ATOM 727 CA LYS A 214 39.526 -12.464 -6.433 1.00 1.00 C ATOM 728 C LYS A 214 38.360 -12.766 -7.363 1.00 1.00 C ATOM 729 O LYS A 214 37.571 -13.675 -7.110 1.00 1.00 O ATOM 730 CB LYS A 214 38.993 -12.067 -5.060 1.00 1.00 C ATOM 731 CG LYS A 214 40.184 -11.787 -4.100 1.00 1.00 C ATOM 732 CD LYS A 214 40.352 -10.281 -3.913 1.00 1.00 C ATOM 733 CE LYS A 214 41.679 -9.997 -3.218 1.00 1.00 C ATOM 734 NZ LYS A 214 41.649 -10.573 -1.846 1.00 1.00 N ATOM 0 H LYS A 214 40.351 -10.531 -6.442 1.00 1.00 H new ATOM 0 HA LYS A 214 40.140 -13.359 -6.337 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.365 -11.180 -5.145 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.367 -12.864 -4.657 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.007 -12.265 -3.137 1.00 1.00 H new ATOM 0 HG3 LYS A 214 41.100 -12.217 -4.506 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.321 -9.779 -4.880 1.00 1.00 H new ATOM 0 HD3 LYS A 214 39.527 -9.884 -3.321 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.501 -10.429 -3.788 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.855 -8.922 -3.170 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 42.547 -10.366 -1.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 40.863 -10.153 -1.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 41.517 -11.603 -1.905 1.00 1.00 H new ATOM 748 N ASN A 215 38.243 -11.981 -8.430 1.00 1.00 N ATOM 749 CA ASN A 215 37.153 -12.162 -9.385 1.00 1.00 C ATOM 750 C ASN A 215 37.543 -13.162 -10.464 1.00 1.00 C ATOM 751 O ASN A 215 36.732 -13.501 -11.326 1.00 1.00 O ATOM 752 CB ASN A 215 36.805 -10.819 -10.032 1.00 1.00 C ATOM 753 CG ASN A 215 36.148 -9.901 -9.004 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.632 -10.373 -7.992 1.00 1.00 O ATOM 755 ND2 ASN A 215 36.139 -8.612 -9.206 1.00 1.00 N ATOM 0 H ASN A 215 38.883 -11.219 -8.655 1.00 1.00 H new ATOM 0 HA ASN A 215 36.285 -12.547 -8.850 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.707 -10.351 -10.426 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.132 -10.975 -10.875 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.703 -7.992 -8.524 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.568 -8.224 -10.046 1.00 1.00 H new ATOM 762 N GLY A 216 38.784 -13.636 -10.408 1.00 1.00 N ATOM 763 CA GLY A 216 39.275 -14.602 -11.387 1.00 1.00 C ATOM 764 C GLY A 216 39.883 -13.898 -12.592 1.00 1.00 C ATOM 765 O GLY A 216 40.045 -14.499 -13.652 1.00 1.00 O ATOM 0 H GLY A 216 39.466 -13.369 -9.698 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.021 -15.247 -10.924 1.00 1.00 H new ATOM 0 HA3 GLY A 216 38.456 -15.244 -11.712 1.00 1.00 H new ATOM 769 N HIS A 217 40.212 -12.617 -12.429 1.00 1.00 N ATOM 770 CA HIS A 217 40.802 -11.839 -13.514 1.00 1.00 C ATOM 771 C HIS A 217 42.303 -11.713 -13.303 1.00 1.00 C ATOM 772 O HIS A 217 42.760 -11.414 -12.205 1.00 1.00 O ATOM 773 CB HIS A 217 40.175 -10.443 -13.560 1.00 1.00 C ATOM 774 CG HIS A 217 38.733 -10.555 -13.958 1.00 1.00 C ATOM 775 ND1 HIS A 217 37.751 -11.441 -13.605 1.00 1.00 N flip ATOM 776 CD2 HIS A 217 38.145 -9.672 -14.849 1.00 1.00 C flip ATOM 777 CE1 HIS A 217 36.568 -11.117 -14.262 1.00 1.00 C flip ATOM 778 NE2 HIS A 217 36.861 -10.044 -14.999 1.00 1.00 N flip ATOM 0 H HIS A 217 40.080 -12.099 -11.560 1.00 1.00 H new ATOM 0 HA HIS A 217 40.610 -12.350 -14.457 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.258 -9.963 -12.585 1.00 1.00 H new ATOM 0 HB3 HIS A 217 40.712 -9.815 -14.271 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.629 -8.837 -15.334 1.00 1.00 H new ATOM 0 HE1 HIS A 217 35.617 -11.625 -14.191 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.193 -9.564 -15.602 1.00 1.00 H new ATOM 786 N GLU A 218 43.064 -11.967 -14.364 1.00 1.00 N ATOM 787 CA GLU A 218 44.526 -11.899 -14.301 1.00 1.00 C ATOM 788 C GLU A 218 45.083 -10.998 -15.392 1.00 1.00 C ATOM 789 O GLU A 218 44.490 -10.861 -16.461 1.00 1.00 O ATOM 790 CB GLU A 218 45.109 -13.302 -14.449 1.00 1.00 C ATOM 791 CG GLU A 218 44.442 -14.017 -15.626 1.00 1.00 C ATOM 792 CD GLU A 218 45.059 -15.401 -15.821 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.047 -15.685 -15.163 1.00 1.00 O ATOM 794 OE2 GLU A 218 44.533 -16.154 -16.621 1.00 1.00 O ATOM 0 H GLU A 218 42.695 -12.222 -15.280 1.00 1.00 H new ATOM 0 HA GLU A 218 44.807 -11.479 -13.335 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.186 -13.244 -14.609 1.00 1.00 H new ATOM 0 HB3 GLU A 218 44.954 -13.869 -13.531 1.00 1.00 H new ATOM 0 HG2 GLU A 218 43.371 -14.110 -15.445 1.00 1.00 H new ATOM 0 HG3 GLU A 218 44.561 -13.426 -16.534 1.00 1.00 H new ATOM 801 N GLY A 219 46.237 -10.388 -15.121 1.00 1.00 N ATOM 802 CA GLY A 219 46.876 -9.519 -16.099 1.00 1.00 C ATOM 803 C GLY A 219 48.078 -8.810 -15.480 1.00 1.00 C ATOM 804 O GLY A 219 48.248 -8.814 -14.255 1.00 1.00 O ATOM 0 H GLY A 219 46.742 -10.480 -14.239 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.196 -10.105 -16.961 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.160 -8.782 -16.463 1.00 1.00 H new ATOM 808 N TYR A 220 48.915 -8.216 -16.326 1.00 1.00 N ATOM 809 CA TYR A 220 50.100 -7.527 -15.849 1.00 1.00 C ATOM 810 C TYR A 220 49.713 -6.255 -15.124 1.00 1.00 C ATOM 811 O TYR A 220 48.814 -5.534 -15.557 1.00 1.00 O ATOM 812 CB TYR A 220 51.006 -7.177 -17.032 1.00 1.00 C ATOM 813 CG TYR A 220 51.528 -8.452 -17.655 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.437 -9.248 -16.951 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.113 -8.833 -18.938 1.00 1.00 C ATOM 816 CE1 TYR A 220 52.929 -10.426 -17.524 1.00 1.00 C ATOM 817 CE2 TYR A 220 51.603 -10.011 -19.512 1.00 1.00 C ATOM 818 CZ TYR A 220 52.512 -10.807 -18.805 1.00 1.00 C ATOM 819 OH TYR A 220 52.993 -11.970 -19.369 1.00 1.00 O ATOM 0 H TYR A 220 48.792 -8.200 -17.338 1.00 1.00 H new ATOM 0 HA TYR A 220 50.631 -8.184 -15.160 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.452 -6.598 -17.771 1.00 1.00 H new ATOM 0 HB3 TYR A 220 51.837 -6.555 -16.698 1.00 1.00 H new ATOM 0 HD1 TYR A 220 52.760 -8.953 -15.963 1.00 1.00 H new ATOM 0 HD2 TYR A 220 50.414 -8.217 -19.484 1.00 1.00 H new ATOM 0 HE1 TYR A 220 53.630 -11.041 -16.979 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.280 -10.306 -20.500 1.00 1.00 H new ATOM 0 HH TYR A 220 52.603 -12.087 -20.260 1.00 1.00 H new ATOM 829 N ALA A 221 50.390 -5.986 -14.006 1.00 1.00 N ATOM 830 CA ALA A 221 50.103 -4.791 -13.219 1.00 1.00 C ATOM 831 C ALA A 221 51.408 -4.050 -12.882 1.00 1.00 C ATOM 832 O ALA A 221 52.270 -4.588 -12.184 1.00 1.00 O ATOM 833 CB ALA A 221 49.376 -5.167 -11.932 1.00 1.00 C ATOM 0 H ALA A 221 51.133 -6.575 -13.630 1.00 1.00 H new ATOM 0 HA ALA A 221 49.463 -4.134 -13.808 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.168 -4.266 -11.355 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.438 -5.666 -12.176 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.001 -5.838 -11.344 1.00 1.00 H new ATOM 839 N PRO A 222 51.578 -2.836 -13.358 1.00 1.00 N ATOM 840 CA PRO A 222 52.807 -2.041 -13.087 1.00 1.00 C ATOM 841 C PRO A 222 53.208 -2.075 -11.611 1.00 1.00 C ATOM 842 O PRO A 222 52.492 -1.565 -10.753 1.00 1.00 O ATOM 843 CB PRO A 222 52.407 -0.616 -13.509 1.00 1.00 C ATOM 844 CG PRO A 222 51.330 -0.783 -14.530 1.00 1.00 C ATOM 845 CD PRO A 222 50.625 -2.093 -14.203 1.00 1.00 C ATOM 0 HA PRO A 222 53.673 -2.430 -13.622 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.051 -0.040 -12.655 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.259 -0.077 -13.923 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.631 0.053 -14.497 1.00 1.00 H new ATOM 0 HG3 PRO A 222 51.749 -0.808 -15.536 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.686 -1.916 -13.678 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.384 -2.649 -15.109 1.00 1.00 H new ATOM 853 N SER A 223 54.363 -2.667 -11.335 1.00 1.00 N ATOM 854 CA SER A 223 54.871 -2.763 -9.968 1.00 1.00 C ATOM 855 C SER A 223 55.170 -1.374 -9.409 1.00 1.00 C ATOM 856 O SER A 223 55.355 -1.194 -8.208 1.00 1.00 O ATOM 857 CB SER A 223 56.141 -3.607 -9.935 1.00 1.00 C ATOM 858 OG SER A 223 57.167 -2.934 -10.654 1.00 1.00 O ATOM 0 H SER A 223 54.968 -3.089 -12.039 1.00 1.00 H new ATOM 0 HA SER A 223 54.106 -3.237 -9.353 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.453 -3.776 -8.904 1.00 1.00 H new ATOM 0 HB3 SER A 223 55.953 -4.586 -10.376 1.00 1.00 H new ATOM 0 HG SER A 223 57.986 -3.471 -10.635 1.00 1.00 H new ATOM 864 N SER A 224 55.216 -0.397 -10.298 1.00 1.00 N ATOM 865 CA SER A 224 55.483 0.987 -9.894 1.00 1.00 C ATOM 866 C SER A 224 54.242 1.665 -9.316 1.00 1.00 C ATOM 867 O SER A 224 54.309 2.342 -8.288 1.00 1.00 O ATOM 868 CB SER A 224 55.981 1.793 -11.078 1.00 1.00 C ATOM 869 OG SER A 224 55.897 3.181 -10.766 1.00 1.00 O ATOM 0 H SER A 224 55.074 -0.527 -11.300 1.00 1.00 H new ATOM 0 HA SER A 224 56.246 0.951 -9.117 1.00 1.00 H new ATOM 0 HB2 SER A 224 57.011 1.522 -11.311 1.00 1.00 H new ATOM 0 HB3 SER A 224 55.384 1.570 -11.962 1.00 1.00 H new ATOM 0 HG SER A 224 56.219 3.707 -11.527 1.00 1.00 H new ATOM 875 N TYR A 225 53.111 1.487 -9.988 1.00 1.00 N ATOM 876 CA TYR A 225 51.864 2.112 -9.551 1.00 1.00 C ATOM 877 C TYR A 225 51.241 1.343 -8.398 1.00 1.00 C ATOM 878 O TYR A 225 50.049 1.473 -8.123 1.00 1.00 O ATOM 879 CB TYR A 225 50.876 2.169 -10.719 1.00 1.00 C ATOM 880 CG TYR A 225 51.364 3.172 -11.744 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.524 2.907 -12.485 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.657 4.363 -11.955 1.00 1.00 C ATOM 883 CE1 TYR A 225 52.975 3.834 -13.434 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.108 5.288 -12.903 1.00 1.00 C ATOM 885 CZ TYR A 225 52.267 5.024 -13.644 1.00 1.00 C ATOM 886 OH TYR A 225 52.710 5.937 -14.580 1.00 1.00 O ATOM 0 H TYR A 225 53.029 0.920 -10.832 1.00 1.00 H new ATOM 0 HA TYR A 225 52.092 3.122 -9.210 1.00 1.00 H new ATOM 0 HB2 TYR A 225 50.779 1.184 -11.176 1.00 1.00 H new ATOM 0 HB3 TYR A 225 49.887 2.452 -10.359 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.070 1.989 -12.325 1.00 1.00 H new ATOM 0 HD2 TYR A 225 49.763 4.567 -11.385 1.00 1.00 H new ATOM 0 HE1 TYR A 225 53.869 3.631 -14.004 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.562 6.206 -13.063 1.00 1.00 H new ATOM 0 HH TYR A 225 52.103 6.706 -14.600 1.00 1.00 H new ATOM 896 N LEU A 226 52.061 0.560 -7.712 1.00 1.00 N ATOM 897 CA LEU A 226 51.589 -0.209 -6.567 1.00 1.00 C ATOM 898 C LEU A 226 52.726 -0.457 -5.586 1.00 1.00 C ATOM 899 O LEU A 226 53.889 -0.195 -5.896 1.00 1.00 O ATOM 900 CB LEU A 226 51.001 -1.536 -7.030 1.00 1.00 C ATOM 901 CG LEU A 226 52.066 -2.339 -7.798 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.091 -2.988 -6.828 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.363 -3.414 -8.645 1.00 1.00 C ATOM 0 H LEU A 226 53.051 0.440 -7.926 1.00 1.00 H new ATOM 0 HA LEU A 226 50.812 0.365 -6.062 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.650 -2.108 -6.171 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.136 -1.358 -7.669 1.00 1.00 H new ATOM 0 HG LEU A 226 52.621 -1.664 -8.449 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.830 -3.548 -7.401 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.592 -2.209 -6.253 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.571 -3.663 -6.148 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.108 -3.990 -9.194 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.799 -4.080 -7.992 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.683 -2.935 -9.350 1.00 1.00 H new ATOM 915 N VAL A 227 52.391 -0.971 -4.408 1.00 1.00 N ATOM 916 CA VAL A 227 53.408 -1.259 -3.390 1.00 1.00 C ATOM 917 C VAL A 227 53.132 -2.612 -2.740 1.00 1.00 C ATOM 918 O VAL A 227 51.996 -3.080 -2.723 1.00 1.00 O ATOM 919 CB VAL A 227 53.410 -0.166 -2.328 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.362 -0.546 -1.194 1.00 1.00 C ATOM 921 CG2 VAL A 227 53.866 1.151 -2.956 1.00 1.00 C ATOM 0 H VAL A 227 51.436 -1.197 -4.131 1.00 1.00 H new ATOM 0 HA VAL A 227 54.386 -1.289 -3.871 1.00 1.00 H new ATOM 0 HB VAL A 227 52.403 -0.052 -1.927 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.359 0.239 -0.438 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.036 -1.484 -0.744 1.00 1.00 H new ATOM 0 HG13 VAL A 227 55.371 -0.665 -1.590 1.00 1.00 H new ATOM 0 HG21 VAL A 227 53.868 1.934 -2.198 1.00 1.00 H new ATOM 0 HG22 VAL A 227 54.872 1.033 -3.359 1.00 1.00 H new ATOM 0 HG23 VAL A 227 53.183 1.426 -3.760 1.00 1.00 H new ATOM 931 N GLU A 228 54.178 -3.231 -2.204 1.00 1.00 N ATOM 932 CA GLU A 228 54.039 -4.526 -1.547 1.00 1.00 C ATOM 933 C GLU A 228 53.196 -4.401 -0.289 1.00 1.00 C ATOM 934 O GLU A 228 53.137 -3.338 0.325 1.00 1.00 O ATOM 935 CB GLU A 228 55.419 -5.078 -1.181 1.00 1.00 C ATOM 936 CG GLU A 228 56.143 -5.529 -2.447 1.00 1.00 C ATOM 937 CD GLU A 228 57.567 -5.963 -2.109 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.918 -5.916 -0.941 1.00 1.00 O ATOM 939 OE2 GLU A 228 58.286 -6.333 -3.022 1.00 1.00 O ATOM 0 H GLU A 228 55.128 -2.859 -2.211 1.00 1.00 H new ATOM 0 HA GLU A 228 53.544 -5.209 -2.238 1.00 1.00 H new ATOM 0 HB2 GLU A 228 56.003 -4.314 -0.669 1.00 1.00 H new ATOM 0 HB3 GLU A 228 55.315 -5.916 -0.491 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.603 -6.355 -2.910 1.00 1.00 H new ATOM 0 HG3 GLU A 228 56.165 -4.716 -3.172 1.00 1.00 H new ATOM 946 N LYS A 229 52.544 -5.497 0.090 1.00 1.00 N ATOM 947 CA LYS A 229 51.698 -5.512 1.290 1.00 1.00 C ATOM 948 C LYS A 229 52.158 -6.600 2.255 1.00 1.00 C ATOM 949 O LYS A 229 52.193 -6.393 3.465 1.00 1.00 O ATOM 950 CB LYS A 229 50.241 -5.760 0.899 1.00 1.00 C ATOM 951 CG LYS A 229 49.358 -5.643 2.138 1.00 1.00 C ATOM 952 CD LYS A 229 47.897 -5.811 1.732 1.00 1.00 C ATOM 953 CE LYS A 229 47.007 -5.694 2.972 1.00 1.00 C ATOM 954 NZ LYS A 229 45.578 -5.850 2.580 1.00 1.00 N ATOM 0 H LYS A 229 52.582 -6.385 -0.411 1.00 1.00 H new ATOM 0 HA LYS A 229 51.782 -4.543 1.783 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.927 -5.038 0.145 1.00 1.00 H new ATOM 0 HB3 LYS A 229 50.135 -6.750 0.455 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.634 -6.403 2.869 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.506 -4.674 2.614 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.622 -5.051 1.001 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.750 -6.780 1.256 1.00 1.00 H new ATOM 0 HE2 LYS A 229 47.280 -6.457 3.701 1.00 1.00 H new ATOM 0 HE3 LYS A 229 47.159 -4.727 3.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 45.066 -4.965 2.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 45.518 -6.070 1.565 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 45.150 -6.624 3.128 1.00 1.00 H new