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 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 77:sc= 0.614 USER MOD Single : A 198 TYR OH : rot 130:sc= -0.0461 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 70:sc= 1.04 USER MOD Single : A 212 GLN : amide:sc= -0.418 K(o=-0.42,f=-4.1!) USER MOD Single : A 214 LYS NZ :NH3+ -139:sc= -0.321 (180deg=-1.48!) USER MOD Single : A 215 ASN : amide:sc= -0.0321 K(o=-0.032,f=-2!) USER MOD Single : A 217 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.0068) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.495 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+ 142:sc= 0.851 (180deg=0.126) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.354 -12.596 -2.114 1.00 1.00 N ATOM 66 CA THR A 174 51.968 -11.409 -1.359 1.00 1.00 C ATOM 67 C THR A 174 50.872 -10.661 -2.109 1.00 1.00 C ATOM 68 O THR A 174 50.517 -11.025 -3.230 1.00 1.00 O ATOM 69 CB THR A 174 53.178 -10.471 -1.131 1.00 1.00 C ATOM 70 OG1 THR A 174 52.938 -9.676 0.015 1.00 1.00 O ATOM 71 CG2 THR A 174 53.396 -9.555 -2.336 1.00 1.00 C ATOM 0 HA THR A 174 51.598 -11.729 -0.385 1.00 1.00 H new ATOM 0 HB THR A 174 54.070 -11.083 -0.993 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.702 -9.081 0.166 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.252 -8.906 -2.150 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.585 -10.160 -3.223 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.507 -8.945 -2.495 1.00 1.00 H new ATOM 79 N LEU A 175 50.357 -9.602 -1.493 1.00 1.00 N ATOM 80 CA LEU A 175 49.317 -8.784 -2.115 1.00 1.00 C ATOM 81 C LEU A 175 49.874 -7.384 -2.352 1.00 1.00 C ATOM 82 O LEU A 175 50.762 -6.931 -1.631 1.00 1.00 O ATOM 83 CB LEU A 175 48.066 -8.706 -1.224 1.00 1.00 C ATOM 84 CG LEU A 175 47.815 -10.052 -0.548 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.654 -9.924 0.449 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.477 -11.100 -1.614 1.00 1.00 C ATOM 0 H LEU A 175 50.641 -9.289 -0.565 1.00 1.00 H new ATOM 0 HA LEU A 175 49.024 -9.240 -3.061 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.196 -7.930 -0.469 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.200 -8.425 -1.824 1.00 1.00 H new ATOM 0 HG LEU A 175 48.710 -10.362 -0.009 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.479 -10.887 0.929 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.905 -9.181 1.206 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.753 -9.613 -0.080 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.297 -12.062 -1.134 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.583 -10.792 -2.156 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.310 -11.192 -2.311 1.00 1.00 H new ATOM 98 N VAL A 176 49.352 -6.703 -3.366 1.00 1.00 N ATOM 99 CA VAL A 176 49.804 -5.348 -3.699 1.00 1.00 C ATOM 100 C VAL A 176 48.615 -4.411 -3.738 1.00 1.00 C ATOM 101 O VAL A 176 47.487 -4.861 -3.871 1.00 1.00 O ATOM 102 CB VAL A 176 50.489 -5.349 -5.065 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.701 -6.272 -5.016 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.517 -5.851 -6.134 1.00 1.00 C ATOM 0 H VAL A 176 48.616 -7.062 -3.974 1.00 1.00 H new ATOM 0 HA VAL A 176 50.511 -5.013 -2.940 1.00 1.00 H new ATOM 0 HB VAL A 176 50.803 -4.335 -5.312 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.194 -6.277 -5.988 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.398 -5.917 -4.257 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.378 -7.283 -4.768 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.012 -5.849 -7.105 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.200 -6.865 -5.890 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.646 -5.197 -6.169 1.00 1.00 H new ATOM 114 N ILE A 177 48.872 -3.110 -3.615 1.00 1.00 N ATOM 115 CA ILE A 177 47.797 -2.113 -3.633 1.00 1.00 C ATOM 116 C ILE A 177 48.043 -1.103 -4.746 1.00 1.00 C ATOM 117 O ILE A 177 49.145 -0.577 -4.882 1.00 1.00 O ATOM 118 CB ILE A 177 47.740 -1.392 -2.282 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.610 -2.439 -1.172 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.527 -0.451 -2.237 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.390 -1.750 0.178 1.00 1.00 C ATOM 0 H ILE A 177 49.808 -2.721 -3.502 1.00 1.00 H new ATOM 0 HA ILE A 177 46.847 -2.616 -3.814 1.00 1.00 H new ATOM 0 HB ILE A 177 48.648 -0.805 -2.144 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.777 -3.108 -1.388 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.510 -3.053 -1.133 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.496 0.056 -1.273 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.610 0.288 -3.034 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.613 -1.029 -2.373 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.299 -2.503 0.960 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.237 -1.100 0.397 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.477 -1.156 0.139 1.00 1.00 H new ATOM 133 N ALA A 178 47.007 -0.836 -5.534 1.00 1.00 N ATOM 134 CA ALA A 178 47.117 0.116 -6.636 1.00 1.00 C ATOM 135 C ALA A 178 46.998 1.553 -6.124 1.00 1.00 C ATOM 136 O ALA A 178 45.947 1.961 -5.634 1.00 1.00 O ATOM 137 CB ALA A 178 46.021 -0.167 -7.676 1.00 1.00 C ATOM 0 H ALA A 178 46.086 -1.262 -5.432 1.00 1.00 H new ATOM 0 HA ALA A 178 48.095 -0.001 -7.102 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.106 0.545 -8.497 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.138 -1.180 -8.061 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.041 -0.067 -7.209 1.00 1.00 H new ATOM 143 N LEU A 179 48.081 2.312 -6.244 1.00 1.00 N ATOM 144 CA LEU A 179 48.082 3.699 -5.796 1.00 1.00 C ATOM 145 C LEU A 179 47.135 4.539 -6.649 1.00 1.00 C ATOM 146 O LEU A 179 46.405 5.386 -6.133 1.00 1.00 O ATOM 147 CB LEU A 179 49.500 4.270 -5.881 1.00 1.00 C ATOM 148 CG LEU A 179 50.404 3.566 -4.858 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.856 3.982 -5.107 1.00 1.00 C ATOM 150 CD2 LEU A 179 49.991 3.943 -3.421 1.00 1.00 C ATOM 0 H LEU A 179 48.963 1.993 -6.645 1.00 1.00 H new ATOM 0 HA LEU A 179 47.740 3.731 -4.762 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.898 4.134 -6.887 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.483 5.343 -5.688 1.00 1.00 H new ATOM 0 HG LEU A 179 50.302 2.487 -4.972 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.505 3.487 -4.385 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.149 3.693 -6.116 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.949 5.062 -4.997 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.642 3.435 -2.710 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.080 5.021 -3.288 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.958 3.640 -3.248 1.00 1.00 H new ATOM 162 N TYR A 180 47.158 4.299 -7.960 1.00 1.00 N ATOM 163 CA TYR A 180 46.303 5.036 -8.896 1.00 1.00 C ATOM 164 C TYR A 180 45.436 4.072 -9.698 1.00 1.00 C ATOM 165 O TYR A 180 45.778 2.900 -9.859 1.00 1.00 O ATOM 166 CB TYR A 180 47.170 5.858 -9.851 1.00 1.00 C ATOM 167 CG TYR A 180 48.018 6.822 -9.056 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.465 8.021 -8.591 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.356 6.514 -8.783 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.252 8.914 -7.852 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.142 7.408 -8.046 1.00 1.00 C ATOM 172 CZ TYR A 180 49.591 8.606 -7.580 1.00 1.00 C ATOM 173 OH TYR A 180 50.366 9.487 -6.852 1.00 1.00 O ATOM 0 H TYR A 180 47.758 3.601 -8.399 1.00 1.00 H new ATOM 0 HA TYR A 180 45.655 5.702 -8.325 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.806 5.198 -10.441 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.540 6.404 -10.553 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.432 8.257 -8.802 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.781 5.588 -9.140 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.826 9.839 -7.492 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.175 7.172 -7.837 1.00 1.00 H new ATOM 0 HH TYR A 180 51.270 9.122 -6.752 1.00 1.00 H new ATOM 183 N ASP A 181 44.311 4.572 -10.197 1.00 1.00 N ATOM 184 CA ASP A 181 43.401 3.747 -10.981 1.00 1.00 C ATOM 185 C ASP A 181 43.993 3.460 -12.356 1.00 1.00 C ATOM 186 O ASP A 181 43.859 4.262 -13.280 1.00 1.00 O ATOM 187 CB ASP A 181 42.062 4.469 -11.148 1.00 1.00 C ATOM 188 CG ASP A 181 41.305 4.480 -9.827 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.648 3.689 -8.968 1.00 1.00 O ATOM 190 OD2 ASP A 181 40.389 5.275 -9.697 1.00 1.00 O ATOM 0 H ASP A 181 44.009 5.538 -10.073 1.00 1.00 H new ATOM 0 HA ASP A 181 43.248 2.804 -10.456 1.00 1.00 H new ATOM 0 HB2 ASP A 181 42.231 5.491 -11.488 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.466 3.973 -11.914 1.00 1.00 H new ATOM 195 N TYR A 182 44.643 2.305 -12.488 1.00 1.00 N ATOM 196 CA TYR A 182 45.247 1.912 -13.762 1.00 1.00 C ATOM 197 C TYR A 182 44.314 0.971 -14.512 1.00 1.00 C ATOM 198 O TYR A 182 43.864 -0.038 -13.968 1.00 1.00 O ATOM 199 CB TYR A 182 46.581 1.207 -13.517 1.00 1.00 C ATOM 200 CG TYR A 182 47.259 0.940 -14.836 1.00 1.00 C ATOM 201 CD1 TYR A 182 46.916 -0.193 -15.587 1.00 1.00 C ATOM 202 CD2 TYR A 182 48.232 1.827 -15.311 1.00 1.00 C ATOM 203 CE1 TYR A 182 47.550 -0.436 -16.810 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.866 1.581 -16.534 1.00 1.00 C ATOM 205 CZ TYR A 182 48.525 0.450 -17.284 1.00 1.00 C ATOM 206 OH TYR A 182 49.150 0.208 -18.490 1.00 1.00 O ATOM 0 H TYR A 182 44.765 1.628 -11.735 1.00 1.00 H new ATOM 0 HA TYR A 182 45.416 2.809 -14.358 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.220 1.825 -12.886 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.417 0.270 -12.984 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.164 -0.877 -15.222 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.493 2.701 -14.734 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.287 -1.309 -17.390 1.00 1.00 H new ATOM 0 HE2 TYR A 182 49.619 2.264 -16.899 1.00 1.00 H new ATOM 0 HH TYR A 182 49.799 0.920 -18.671 1.00 1.00 H new ATOM 319 N LEU A 190 45.998 -6.034 -16.210 1.00 1.00 N ATOM 320 CA LEU A 190 44.889 -6.248 -15.278 1.00 1.00 C ATOM 321 C LEU A 190 44.370 -4.912 -14.757 1.00 1.00 C ATOM 322 O LEU A 190 45.146 -4.071 -14.308 1.00 1.00 O ATOM 323 CB LEU A 190 45.356 -7.107 -14.097 1.00 1.00 C ATOM 324 CG LEU A 190 44.159 -7.471 -13.203 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.185 -8.390 -13.961 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.664 -8.187 -11.947 1.00 1.00 C ATOM 0 HA LEU A 190 44.086 -6.762 -15.807 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.835 -8.015 -14.464 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.102 -6.565 -13.516 1.00 1.00 H new ATOM 0 HG LEU A 190 43.635 -6.557 -12.923 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.343 -8.639 -13.315 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.820 -7.878 -14.852 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.701 -9.305 -14.254 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.818 -8.446 -11.311 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.194 -9.095 -12.234 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.340 -7.530 -11.401 1.00 1.00 H new ATOM 338 N ALA A 191 43.055 -4.727 -14.814 1.00 1.00 N ATOM 339 CA ALA A 191 42.449 -3.489 -14.333 1.00 1.00 C ATOM 340 C ALA A 191 42.695 -3.337 -12.837 1.00 1.00 C ATOM 341 O ALA A 191 42.422 -4.253 -12.061 1.00 1.00 O ATOM 342 CB ALA A 191 40.944 -3.508 -14.604 1.00 1.00 C ATOM 0 H ALA A 191 42.394 -5.410 -15.184 1.00 1.00 H new ATOM 0 HA ALA A 191 42.900 -2.647 -14.859 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.498 -2.582 -14.243 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.768 -3.602 -15.676 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.492 -4.354 -14.087 1.00 1.00 H new ATOM 348 N LEU A 192 43.222 -2.182 -12.437 1.00 1.00 N ATOM 349 CA LEU A 192 43.519 -1.922 -11.025 1.00 1.00 C ATOM 350 C LEU A 192 42.643 -0.790 -10.500 1.00 1.00 C ATOM 351 O LEU A 192 42.198 0.067 -11.263 1.00 1.00 O ATOM 352 CB LEU A 192 44.987 -1.538 -10.868 1.00 1.00 C ATOM 353 CG LEU A 192 45.868 -2.512 -11.657 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.349 -2.136 -11.480 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.636 -3.948 -11.152 1.00 1.00 C ATOM 0 H LEU A 192 43.452 -1.412 -13.065 1.00 1.00 H new ATOM 0 HA LEU A 192 43.314 -2.827 -10.453 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.146 -0.520 -11.224 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.265 -1.554 -9.814 1.00 1.00 H new ATOM 0 HG LEU A 192 45.606 -2.454 -12.714 1.00 1.00 H new ATOM 0 HD11 LEU A 192 47.971 -2.832 -12.043 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.514 -1.123 -11.847 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.613 -2.186 -10.424 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.264 -4.638 -11.716 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.891 -4.007 -10.094 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.589 -4.217 -11.289 1.00 1.00 H new ATOM 367 N ARG A 193 42.392 -0.795 -9.190 1.00 1.00 N ATOM 368 CA ARG A 193 41.557 0.237 -8.562 1.00 1.00 C ATOM 369 C ARG A 193 42.290 0.849 -7.371 1.00 1.00 C ATOM 370 O ARG A 193 43.034 0.168 -6.669 1.00 1.00 O ATOM 371 CB ARG A 193 40.203 -0.361 -8.108 1.00 1.00 C ATOM 372 CG ARG A 193 40.037 -1.758 -8.693 1.00 1.00 C ATOM 373 CD ARG A 193 38.613 -2.255 -8.455 1.00 1.00 C ATOM 374 NE ARG A 193 38.360 -2.397 -7.029 1.00 1.00 N ATOM 375 CZ ARG A 193 37.166 -2.758 -6.579 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.197 -2.992 -7.421 1.00 1.00 N ATOM 377 NH2 ARG A 193 36.961 -2.879 -5.296 1.00 1.00 N ATOM 0 H ARG A 193 42.752 -1.497 -8.544 1.00 1.00 H new ATOM 0 HA ARG A 193 41.359 1.019 -9.296 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.160 -0.405 -7.020 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.384 0.280 -8.434 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.252 -1.742 -9.761 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.751 -2.441 -8.234 1.00 1.00 H new ATOM 0 HD2 ARG A 193 37.899 -1.556 -8.890 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.466 -3.213 -8.955 1.00 1.00 H new ATOM 0 HE ARG A 193 39.113 -2.216 -6.365 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.359 -2.897 -8.424 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.278 -3.270 -7.077 1.00 1.00 H new ATOM 0 HH21 ARG A 193 37.719 -2.696 -4.639 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.042 -3.157 -4.950 1.00 1.00 H new ATOM 391 N CYS A 194 42.076 2.138 -7.157 1.00 1.00 N ATOM 392 CA CYS A 194 42.724 2.838 -6.059 1.00 1.00 C ATOM 393 C CYS A 194 42.248 2.308 -4.717 1.00 1.00 C ATOM 394 O CYS A 194 41.048 2.207 -4.472 1.00 1.00 O ATOM 395 CB CYS A 194 42.414 4.331 -6.134 1.00 1.00 C ATOM 396 SG CYS A 194 43.394 5.209 -4.892 1.00 1.00 S ATOM 0 H CYS A 194 41.461 2.719 -7.727 1.00 1.00 H new ATOM 0 HA CYS A 194 43.798 2.673 -6.147 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.642 4.712 -7.130 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.351 4.502 -5.963 1.00 1.00 H new ATOM 0 HG CYS A 194 44.620 5.323 -5.308 1.00 1.00 H new ATOM 402 N ASP A 195 43.206 1.966 -3.858 1.00 1.00 N ATOM 403 CA ASP A 195 42.903 1.442 -2.526 1.00 1.00 C ATOM 404 C ASP A 195 42.669 -0.065 -2.583 1.00 1.00 C ATOM 405 O ASP A 195 42.813 -0.757 -1.575 1.00 1.00 O ATOM 406 CB ASP A 195 41.657 2.143 -1.941 1.00 1.00 C ATOM 407 CG ASP A 195 41.714 2.169 -0.414 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.511 1.432 0.144 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.957 2.925 0.172 1.00 1.00 O ATOM 0 H ASP A 195 44.203 2.042 -4.061 1.00 1.00 H new ATOM 0 HA ASP A 195 43.758 1.641 -1.880 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.594 3.161 -2.324 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.756 1.624 -2.267 1.00 1.00 H new ATOM 414 N GLU A 196 42.308 -0.572 -3.758 1.00 1.00 N ATOM 415 CA GLU A 196 42.062 -1.991 -3.915 1.00 1.00 C ATOM 416 C GLU A 196 43.373 -2.763 -3.861 1.00 1.00 C ATOM 417 O GLU A 196 44.450 -2.197 -4.059 1.00 1.00 O ATOM 418 CB GLU A 196 41.336 -2.238 -5.248 1.00 1.00 C ATOM 419 CG GLU A 196 41.234 -3.736 -5.533 1.00 1.00 C ATOM 420 CD GLU A 196 40.552 -4.447 -4.367 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.719 -3.828 -3.727 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.870 -5.602 -4.136 1.00 1.00 O ATOM 0 H GLU A 196 42.181 -0.021 -4.607 1.00 1.00 H new ATOM 0 HA GLU A 196 41.431 -2.343 -3.099 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.339 -1.800 -5.212 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.872 -1.744 -6.058 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.669 -3.902 -6.450 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.229 -4.152 -5.691 1.00 1.00 H new ATOM 429 N GLU A 197 43.269 -4.067 -3.612 1.00 1.00 N ATOM 430 CA GLU A 197 44.437 -4.934 -3.553 1.00 1.00 C ATOM 431 C GLU A 197 44.259 -6.113 -4.500 1.00 1.00 C ATOM 432 O GLU A 197 43.146 -6.430 -4.918 1.00 1.00 O ATOM 433 CB GLU A 197 44.650 -5.443 -2.124 1.00 1.00 C ATOM 434 CG GLU A 197 43.302 -5.796 -1.514 1.00 1.00 C ATOM 435 CD GLU A 197 43.501 -6.603 -0.235 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.630 -6.978 0.033 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.522 -6.836 0.454 1.00 1.00 O ATOM 0 H GLU A 197 42.383 -4.545 -3.448 1.00 1.00 H new ATOM 0 HA GLU A 197 45.313 -4.360 -3.857 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.301 -6.318 -2.130 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.146 -4.681 -1.524 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.743 -4.886 -1.296 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.710 -6.370 -2.227 1.00 1.00 H new ATOM 444 N TYR A 198 45.373 -6.753 -4.832 1.00 1.00 N ATOM 445 CA TYR A 198 45.367 -7.907 -5.735 1.00 1.00 C ATOM 446 C TYR A 198 46.332 -8.981 -5.233 1.00 1.00 C ATOM 447 O TYR A 198 47.123 -8.742 -4.323 1.00 1.00 O ATOM 448 CB TYR A 198 45.788 -7.467 -7.137 1.00 1.00 C ATOM 449 CG TYR A 198 44.712 -6.591 -7.736 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.576 -5.265 -7.312 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.857 -7.104 -8.718 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.581 -4.451 -7.868 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.862 -6.286 -9.274 1.00 1.00 C ATOM 454 CZ TYR A 198 42.725 -4.963 -8.849 1.00 1.00 C ATOM 455 OH TYR A 198 41.741 -4.164 -9.394 1.00 1.00 O ATOM 0 H TYR A 198 46.298 -6.494 -4.490 1.00 1.00 H new ATOM 0 HA TYR A 198 44.359 -8.320 -5.765 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.731 -6.922 -7.091 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.955 -8.340 -7.769 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.238 -4.869 -6.556 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.963 -8.127 -9.047 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.475 -3.428 -7.539 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.201 -6.680 -10.032 1.00 1.00 H new ATOM 0 HH TYR A 198 41.788 -4.208 -10.372 1.00 1.00 H new ATOM 465 N TYR A 199 46.261 -10.156 -5.848 1.00 1.00 N ATOM 466 CA TYR A 199 47.129 -11.282 -5.492 1.00 1.00 C ATOM 467 C TYR A 199 48.367 -11.303 -6.378 1.00 1.00 C ATOM 468 O TYR A 199 48.259 -11.356 -7.596 1.00 1.00 O ATOM 469 CB TYR A 199 46.356 -12.611 -5.670 1.00 1.00 C ATOM 470 CG TYR A 199 45.902 -13.119 -4.330 1.00 1.00 C ATOM 471 CD1 TYR A 199 46.824 -13.757 -3.498 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.582 -12.941 -3.919 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.431 -14.222 -2.245 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.179 -13.398 -2.661 1.00 1.00 C ATOM 475 CZ TYR A 199 45.105 -14.042 -1.820 1.00 1.00 C ATOM 476 OH TYR A 199 44.712 -14.485 -0.576 1.00 1.00 O ATOM 0 H TYR A 199 45.606 -10.359 -6.603 1.00 1.00 H new ATOM 0 HA TYR A 199 47.437 -11.167 -4.453 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.496 -12.458 -6.322 1.00 1.00 H new ATOM 0 HB3 TYR A 199 46.994 -13.351 -6.153 1.00 1.00 H new ATOM 0 HD1 TYR A 199 47.844 -13.890 -3.827 1.00 1.00 H new ATOM 0 HD2 TYR A 199 43.873 -12.452 -4.570 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.143 -14.719 -1.603 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.159 -13.257 -2.335 1.00 1.00 H new ATOM 0 HH TYR A 199 43.763 -14.280 -0.440 1.00 1.00 H new ATOM 486 N LEU A 200 49.540 -11.277 -5.752 1.00 1.00 N ATOM 487 CA LEU A 200 50.792 -11.300 -6.497 1.00 1.00 C ATOM 488 C LEU A 200 51.184 -12.730 -6.830 1.00 1.00 C ATOM 489 O LEU A 200 51.233 -13.594 -5.954 1.00 1.00 O ATOM 490 CB LEU A 200 51.908 -10.646 -5.668 1.00 1.00 C ATOM 491 CG LEU A 200 53.106 -10.260 -6.563 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.687 -9.202 -7.597 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.218 -9.686 -5.683 1.00 1.00 C ATOM 0 H LEU A 200 49.649 -11.240 -4.738 1.00 1.00 H new ATOM 0 HA LEU A 200 50.653 -10.743 -7.424 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.522 -9.758 -5.168 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.238 -11.333 -4.889 1.00 1.00 H new ATOM 0 HG LEU A 200 53.457 -11.148 -7.089 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.544 -8.942 -8.219 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.891 -9.602 -8.225 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.329 -8.311 -7.081 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.069 -9.410 -6.306 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.849 -8.803 -5.161 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.529 -10.435 -4.955 1.00 1.00 H new ATOM 505 N LEU A 201 51.471 -12.971 -8.106 1.00 1.00 N ATOM 506 CA LEU A 201 51.871 -14.303 -8.562 1.00 1.00 C ATOM 507 C LEU A 201 53.360 -14.334 -8.872 1.00 1.00 C ATOM 508 O LEU A 201 54.135 -14.997 -8.183 1.00 1.00 O ATOM 509 CB LEU A 201 51.075 -14.692 -9.809 1.00 1.00 C ATOM 510 CG LEU A 201 49.563 -14.741 -9.472 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.909 -13.377 -9.754 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.884 -15.827 -10.313 1.00 1.00 C ATOM 0 H LEU A 201 51.435 -12.266 -8.842 1.00 1.00 H new ATOM 0 HA LEU A 201 51.663 -15.018 -7.766 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.256 -13.972 -10.607 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.407 -15.663 -10.175 1.00 1.00 H new ATOM 0 HG LEU A 201 49.443 -14.974 -8.414 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.847 -13.426 -9.513 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.385 -12.612 -9.141 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.031 -13.126 -10.808 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.821 -15.860 -10.075 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.012 -15.601 -11.372 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.336 -16.794 -10.092 1.00 1.00 H new ATOM 524 N ASP A 202 53.759 -13.604 -9.912 1.00 1.00 N ATOM 525 CA ASP A 202 55.165 -13.546 -10.311 1.00 1.00 C ATOM 526 C ASP A 202 55.793 -12.243 -9.842 1.00 1.00 C ATOM 527 O ASP A 202 55.711 -11.220 -10.523 1.00 1.00 O ATOM 528 CB ASP A 202 55.276 -13.654 -11.833 1.00 1.00 C ATOM 529 CG ASP A 202 56.719 -13.942 -12.236 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.477 -14.377 -11.385 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.045 -13.725 -13.392 1.00 1.00 O ATOM 0 H ASP A 202 53.132 -13.046 -10.492 1.00 1.00 H new ATOM 0 HA ASP A 202 55.696 -14.379 -9.850 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.624 -14.448 -12.197 1.00 1.00 H new ATOM 0 HB3 ASP A 202 54.939 -12.727 -12.296 1.00 1.00 H new ATOM 536 N SER A 203 56.419 -12.287 -8.674 1.00 1.00 N ATOM 537 CA SER A 203 57.060 -11.105 -8.111 1.00 1.00 C ATOM 538 C SER A 203 58.493 -10.992 -8.619 1.00 1.00 C ATOM 539 O SER A 203 59.384 -10.539 -7.900 1.00 1.00 O ATOM 540 CB SER A 203 57.065 -11.205 -6.589 1.00 1.00 C ATOM 541 OG SER A 203 58.240 -11.885 -6.165 1.00 1.00 O ATOM 0 H SER A 203 56.497 -13.126 -8.099 1.00 1.00 H new ATOM 0 HA SER A 203 56.504 -10.219 -8.418 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.029 -10.209 -6.148 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.179 -11.738 -6.245 1.00 1.00 H new ATOM 0 HG SER A 203 59.021 -11.313 -6.315 1.00 1.00 H new ATOM 609 N TRP A 208 57.738 -7.754 -15.499 1.00 1.00 N ATOM 610 CA TRP A 208 56.450 -7.223 -15.066 1.00 1.00 C ATOM 611 C TRP A 208 55.869 -8.058 -13.932 1.00 1.00 C ATOM 612 O TRP A 208 56.111 -9.261 -13.842 1.00 1.00 O ATOM 613 CB TRP A 208 55.478 -7.231 -16.245 1.00 1.00 C ATOM 614 CG TRP A 208 55.858 -6.162 -17.212 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.740 -6.306 -18.222 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.376 -4.794 -17.272 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.834 -5.107 -18.904 1.00 1.00 N ATOM 618 CE2 TRP A 208 56.006 -4.141 -18.354 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.458 -4.067 -16.496 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.733 -2.805 -18.657 1.00 1.00 C ATOM 621 CZ3 TRP A 208 54.181 -2.727 -16.795 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.815 -2.096 -17.872 1.00 1.00 C ATOM 0 HA TRP A 208 56.599 -6.205 -14.706 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.495 -8.204 -16.737 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.460 -7.070 -15.891 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.283 -7.209 -18.459 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.438 -4.953 -19.712 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.963 -4.544 -15.663 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 56.225 -2.323 -19.489 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.474 -2.177 -16.191 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.596 -1.063 -18.097 1.00 1.00 H new ATOM 633 N TRP A 209 55.098 -7.406 -13.070 1.00 1.00 N ATOM 634 CA TRP A 209 54.475 -8.090 -11.941 1.00 1.00 C ATOM 635 C TRP A 209 53.101 -8.610 -12.334 1.00 1.00 C ATOM 636 O TRP A 209 52.215 -7.850 -12.726 1.00 1.00 O ATOM 637 CB TRP A 209 54.353 -7.108 -10.748 1.00 1.00 C ATOM 638 CG TRP A 209 55.530 -7.233 -9.815 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.752 -7.738 -10.126 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.602 -6.847 -8.413 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.547 -7.704 -9.002 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.891 -7.156 -7.924 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.680 -6.268 -7.527 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.254 -6.898 -6.606 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.042 -6.005 -6.198 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.328 -6.320 -5.740 1.00 1.00 C ATOM 0 H TRP A 209 54.889 -6.409 -13.130 1.00 1.00 H new ATOM 0 HA TRP A 209 55.094 -8.938 -11.649 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.288 -6.086 -11.121 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.431 -7.308 -10.202 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.051 -8.106 -11.096 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.508 -8.045 -8.972 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.686 -6.024 -7.871 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.246 -7.144 -6.257 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.326 -5.558 -5.524 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.602 -6.115 -4.716 1.00 1.00 H new ATOM 657 N ARG A 210 52.940 -9.922 -12.201 1.00 1.00 N ATOM 658 CA ARG A 210 51.679 -10.573 -12.515 1.00 1.00 C ATOM 659 C ARG A 210 50.779 -10.551 -11.298 1.00 1.00 C ATOM 660 O ARG A 210 51.186 -10.950 -10.206 1.00 1.00 O ATOM 661 CB ARG A 210 51.924 -12.023 -12.936 1.00 1.00 C ATOM 662 CG ARG A 210 52.526 -12.060 -14.338 1.00 1.00 C ATOM 663 CD ARG A 210 52.726 -13.516 -14.765 1.00 1.00 C ATOM 664 NE ARG A 210 53.269 -13.574 -16.116 1.00 1.00 N ATOM 665 CZ ARG A 210 53.218 -14.690 -16.832 1.00 1.00 C ATOM 666 NH1 ARG A 210 52.676 -15.764 -16.328 1.00 1.00 N ATOM 667 NH2 ARG A 210 53.707 -14.711 -18.041 1.00 1.00 N ATOM 0 H ARG A 210 53.671 -10.555 -11.877 1.00 1.00 H new ATOM 0 HA ARG A 210 51.202 -10.038 -13.336 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.597 -12.508 -12.229 1.00 1.00 H new ATOM 0 HB3 ARG A 210 50.987 -12.580 -12.918 1.00 1.00 H new ATOM 0 HG2 ARG A 210 51.869 -11.550 -15.042 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.479 -11.531 -14.351 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.402 -14.016 -14.072 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.776 -14.049 -14.724 1.00 1.00 H new ATOM 0 HE ARG A 210 53.697 -12.740 -16.519 1.00 1.00 H new ATOM 0 HH11 ARG A 210 52.291 -15.746 -15.383 1.00 1.00 H new ATOM 0 HH12 ARG A 210 52.637 -16.622 -16.878 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.128 -13.870 -18.435 1.00 1.00 H new ATOM 0 HH22 ARG A 210 53.668 -15.568 -18.592 1.00 1.00 H new ATOM 681 N VAL A 211 49.556 -10.069 -11.485 1.00 1.00 N ATOM 682 CA VAL A 211 48.595 -9.982 -10.391 1.00 1.00 C ATOM 683 C VAL A 211 47.321 -10.732 -10.771 1.00 1.00 C ATOM 684 O VAL A 211 47.073 -10.987 -11.951 1.00 1.00 O ATOM 685 CB VAL A 211 48.262 -8.514 -10.116 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.380 -7.871 -9.289 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.124 -7.769 -11.441 1.00 1.00 C ATOM 0 H VAL A 211 49.206 -9.733 -12.382 1.00 1.00 H new ATOM 0 HA VAL A 211 49.025 -10.429 -9.495 1.00 1.00 H new ATOM 0 HB VAL A 211 47.326 -8.458 -9.561 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.136 -6.826 -9.097 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.482 -8.400 -8.341 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.319 -7.929 -9.839 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.887 -6.723 -11.247 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.062 -7.832 -11.993 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.325 -8.219 -12.030 1.00 1.00 H new ATOM 697 N GLN A 212 46.513 -11.080 -9.770 1.00 1.00 N ATOM 698 CA GLN A 212 45.259 -11.797 -10.006 1.00 1.00 C ATOM 699 C GLN A 212 44.165 -11.225 -9.118 1.00 1.00 C ATOM 700 O GLN A 212 44.352 -11.070 -7.911 1.00 1.00 O ATOM 701 CB GLN A 212 45.445 -13.286 -9.707 1.00 1.00 C ATOM 702 CG GLN A 212 44.112 -14.015 -9.866 1.00 1.00 C ATOM 703 CD GLN A 212 44.341 -15.522 -9.833 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.463 -15.985 -10.041 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.341 -16.320 -9.581 1.00 1.00 N ATOM 0 H GLN A 212 46.704 -10.878 -8.789 1.00 1.00 H new ATOM 0 HA GLN A 212 44.971 -11.678 -11.051 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.186 -13.712 -10.383 1.00 1.00 H new ATOM 0 HB3 GLN A 212 45.824 -13.418 -8.694 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.430 -13.724 -9.067 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.641 -13.730 -10.807 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.412 -15.935 -9.409 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.488 -17.329 -9.556 1.00 1.00 H new ATOM 714 N ASP A 213 43.016 -10.923 -9.714 1.00 1.00 N ATOM 715 CA ASP A 213 41.895 -10.376 -8.961 1.00 1.00 C ATOM 716 C ASP A 213 41.044 -11.503 -8.398 1.00 1.00 C ATOM 717 O ASP A 213 41.077 -12.629 -8.895 1.00 1.00 O ATOM 718 CB ASP A 213 41.032 -9.507 -9.875 1.00 1.00 C ATOM 719 CG ASP A 213 40.065 -8.662 -9.052 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.347 -8.438 -7.887 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.056 -8.249 -9.600 1.00 1.00 O ATOM 0 H ASP A 213 42.838 -11.047 -10.711 1.00 1.00 H new ATOM 0 HA ASP A 213 42.286 -9.773 -8.142 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.668 -8.859 -10.477 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.474 -10.138 -10.567 1.00 1.00 H new ATOM 726 N LYS A 214 40.286 -11.189 -7.364 1.00 1.00 N ATOM 727 CA LYS A 214 39.423 -12.179 -6.733 1.00 1.00 C ATOM 728 C LYS A 214 38.339 -12.640 -7.706 1.00 1.00 C ATOM 729 O LYS A 214 37.620 -13.603 -7.439 1.00 1.00 O ATOM 730 CB LYS A 214 38.773 -11.584 -5.481 1.00 1.00 C ATOM 731 CG LYS A 214 39.792 -11.551 -4.338 1.00 1.00 C ATOM 732 CD LYS A 214 40.978 -10.664 -4.730 1.00 1.00 C ATOM 733 CE LYS A 214 41.772 -10.284 -3.482 1.00 1.00 C ATOM 734 NZ LYS A 214 40.879 -9.567 -2.529 1.00 1.00 N ATOM 0 H LYS A 214 40.248 -10.261 -6.942 1.00 1.00 H new ATOM 0 HA LYS A 214 40.031 -13.039 -6.450 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.413 -10.577 -5.690 1.00 1.00 H new ATOM 0 HB3 LYS A 214 37.906 -12.178 -5.192 1.00 1.00 H new ATOM 0 HG2 LYS A 214 39.324 -11.169 -3.431 1.00 1.00 H new ATOM 0 HG3 LYS A 214 40.138 -12.561 -4.117 1.00 1.00 H new ATOM 0 HD2 LYS A 214 41.621 -11.191 -5.435 1.00 1.00 H new ATOM 0 HD3 LYS A 214 40.622 -9.765 -5.233 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.182 -11.178 -3.012 1.00 1.00 H new ATOM 0 HE3 LYS A 214 42.617 -9.651 -3.753 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 41.394 -8.769 -2.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 40.045 -9.210 -3.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 40.575 -10.221 -1.780 1.00 1.00 H new ATOM 748 N ASN A 215 38.219 -11.939 -8.834 1.00 1.00 N ATOM 749 CA ASN A 215 37.210 -12.277 -9.836 1.00 1.00 C ATOM 750 C ASN A 215 37.759 -13.292 -10.834 1.00 1.00 C ATOM 751 O ASN A 215 37.038 -13.760 -11.715 1.00 1.00 O ATOM 752 CB ASN A 215 36.770 -11.014 -10.577 1.00 1.00 C ATOM 753 CG ASN A 215 35.937 -10.134 -9.651 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.418 -10.612 -8.641 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.777 -8.870 -9.934 1.00 1.00 N ATOM 0 H ASN A 215 38.804 -11.139 -9.075 1.00 1.00 H new ATOM 0 HA ASN A 215 36.353 -12.718 -9.327 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.644 -10.464 -10.927 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.188 -11.283 -11.459 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.221 -8.276 -9.318 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.208 -8.476 -10.771 1.00 1.00 H new ATOM 762 N GLY A 216 39.039 -13.628 -10.692 1.00 1.00 N ATOM 763 CA GLY A 216 39.678 -14.590 -11.589 1.00 1.00 C ATOM 764 C GLY A 216 40.341 -13.889 -12.769 1.00 1.00 C ATOM 765 O GLY A 216 40.643 -14.517 -13.784 1.00 1.00 O ATOM 0 H GLY A 216 39.652 -13.251 -9.969 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.423 -15.165 -11.039 1.00 1.00 H new ATOM 0 HA3 GLY A 216 38.935 -15.299 -11.955 1.00 1.00 H new ATOM 769 N HIS A 217 40.554 -12.580 -12.638 1.00 1.00 N ATOM 770 CA HIS A 217 41.176 -11.798 -13.707 1.00 1.00 C ATOM 771 C HIS A 217 42.656 -11.572 -13.414 1.00 1.00 C ATOM 772 O HIS A 217 43.026 -11.131 -12.328 1.00 1.00 O ATOM 773 CB HIS A 217 40.475 -10.446 -13.832 1.00 1.00 C ATOM 774 CG HIS A 217 39.033 -10.661 -14.190 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.103 -9.637 -14.141 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.346 -11.775 -14.600 1.00 1.00 C ATOM 777 CE1 HIS A 217 36.916 -10.151 -14.511 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.008 -11.451 -14.802 1.00 1.00 N ATOM 0 H HIS A 217 40.307 -12.041 -11.808 1.00 1.00 H new ATOM 0 HA HIS A 217 41.080 -12.352 -14.641 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.550 -9.897 -12.893 1.00 1.00 H new ATOM 0 HB3 HIS A 217 40.964 -9.840 -14.595 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.778 -12.754 -14.744 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.000 -9.581 -14.566 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.259 -12.073 -15.107 1.00 1.00 H new ATOM 786 N GLU A 218 43.498 -11.890 -14.393 1.00 1.00 N ATOM 787 CA GLU A 218 44.948 -11.735 -14.243 1.00 1.00 C ATOM 788 C GLU A 218 45.527 -10.887 -15.368 1.00 1.00 C ATOM 789 O GLU A 218 44.970 -10.824 -16.463 1.00 1.00 O ATOM 790 CB GLU A 218 45.614 -13.111 -14.245 1.00 1.00 C ATOM 791 CG GLU A 218 45.101 -13.925 -15.434 1.00 1.00 C ATOM 792 CD GLU A 218 45.782 -15.289 -15.465 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.936 -15.362 -15.078 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.139 -16.240 -15.878 1.00 1.00 O ATOM 0 H GLU A 218 43.205 -12.256 -15.299 1.00 1.00 H new ATOM 0 HA GLU A 218 45.143 -11.230 -13.297 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.697 -13.002 -14.305 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.397 -13.633 -13.313 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.021 -14.050 -15.360 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.297 -13.390 -16.363 1.00 1.00 H new ATOM 801 N GLY A 219 46.662 -10.247 -15.091 1.00 1.00 N ATOM 802 CA GLY A 219 47.326 -9.417 -16.087 1.00 1.00 C ATOM 803 C GLY A 219 48.486 -8.656 -15.458 1.00 1.00 C ATOM 804 O GLY A 219 48.565 -8.530 -14.235 1.00 1.00 O ATOM 0 H GLY A 219 47.137 -10.289 -14.189 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.692 -10.040 -16.903 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.613 -8.714 -16.518 1.00 1.00 H new ATOM 808 N TYR A 220 49.390 -8.157 -16.294 1.00 1.00 N ATOM 809 CA TYR A 220 50.542 -7.416 -15.802 1.00 1.00 C ATOM 810 C TYR A 220 50.103 -6.094 -15.194 1.00 1.00 C ATOM 811 O TYR A 220 49.238 -5.408 -15.740 1.00 1.00 O ATOM 812 CB TYR A 220 51.501 -7.130 -16.958 1.00 1.00 C ATOM 813 CG TYR A 220 52.042 -8.433 -17.496 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.866 -9.226 -16.691 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.716 -8.852 -18.792 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.367 -10.435 -17.181 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.218 -10.062 -19.283 1.00 1.00 C ATOM 818 CZ TYR A 220 53.044 -10.854 -18.477 1.00 1.00 C ATOM 819 OH TYR A 220 53.537 -12.049 -18.957 1.00 1.00 O ATOM 0 H TYR A 220 49.347 -8.252 -17.309 1.00 1.00 H new ATOM 0 HA TYR A 220 51.039 -8.017 -15.041 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.984 -6.585 -17.748 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.320 -6.497 -16.617 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.115 -8.904 -15.691 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.077 -8.241 -19.412 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.004 -11.047 -16.559 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.968 -10.385 -20.283 1.00 1.00 H new ATOM 0 HH TYR A 220 53.217 -12.191 -19.872 1.00 1.00 H new ATOM 829 N ALA A 221 50.706 -5.732 -14.061 1.00 1.00 N ATOM 830 CA ALA A 221 50.371 -4.478 -13.387 1.00 1.00 C ATOM 831 C ALA A 221 51.649 -3.723 -12.995 1.00 1.00 C ATOM 832 O ALA A 221 52.482 -4.267 -12.268 1.00 1.00 O ATOM 833 CB ALA A 221 49.549 -4.768 -12.132 1.00 1.00 C ATOM 0 H ALA A 221 51.424 -6.285 -13.594 1.00 1.00 H new ATOM 0 HA ALA A 221 49.789 -3.861 -14.071 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.302 -3.830 -11.634 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.630 -5.284 -12.410 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.128 -5.397 -11.455 1.00 1.00 H new ATOM 839 N PRO A 222 51.835 -2.497 -13.444 1.00 1.00 N ATOM 840 CA PRO A 222 53.053 -1.712 -13.091 1.00 1.00 C ATOM 841 C PRO A 222 53.384 -1.797 -11.594 1.00 1.00 C ATOM 842 O PRO A 222 52.609 -1.348 -10.756 1.00 1.00 O ATOM 843 CB PRO A 222 52.677 -0.273 -13.484 1.00 1.00 C ATOM 844 CG PRO A 222 51.645 -0.399 -14.561 1.00 1.00 C ATOM 845 CD PRO A 222 50.927 -1.733 -14.330 1.00 1.00 C ATOM 0 HA PRO A 222 53.943 -2.084 -13.599 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.284 0.276 -12.628 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.549 0.275 -13.841 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.940 0.432 -14.521 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.110 -0.375 -15.547 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.953 -1.583 -13.865 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.755 -2.258 -15.269 1.00 1.00 H new ATOM 853 N SER A 223 54.548 -2.363 -11.283 1.00 1.00 N ATOM 854 CA SER A 223 55.005 -2.504 -9.896 1.00 1.00 C ATOM 855 C SER A 223 55.324 -1.137 -9.290 1.00 1.00 C ATOM 856 O SER A 223 55.518 -1.009 -8.080 1.00 1.00 O ATOM 857 CB SER A 223 56.257 -3.381 -9.844 1.00 1.00 C ATOM 858 OG SER A 223 57.278 -2.788 -10.634 1.00 1.00 O ATOM 0 H SER A 223 55.198 -2.735 -11.976 1.00 1.00 H new ATOM 0 HA SER A 223 54.205 -2.970 -9.320 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.596 -3.491 -8.814 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.030 -4.381 -10.213 1.00 1.00 H new ATOM 0 HG SER A 223 58.083 -3.347 -10.602 1.00 1.00 H new ATOM 864 N SER A 224 55.367 -0.123 -10.149 1.00 1.00 N ATOM 865 CA SER A 224 55.657 1.242 -9.710 1.00 1.00 C ATOM 866 C SER A 224 54.406 1.947 -9.191 1.00 1.00 C ATOM 867 O SER A 224 54.471 2.722 -8.237 1.00 1.00 O ATOM 868 CB SER A 224 56.245 2.051 -10.858 1.00 1.00 C ATOM 869 OG SER A 224 57.554 1.579 -11.146 1.00 1.00 O ATOM 0 H SER A 224 55.205 -0.218 -11.152 1.00 1.00 H new ATOM 0 HA SER A 224 56.378 1.174 -8.895 1.00 1.00 H new ATOM 0 HB2 SER A 224 55.612 1.963 -11.741 1.00 1.00 H new ATOM 0 HB3 SER A 224 56.278 3.108 -10.593 1.00 1.00 H new ATOM 0 HG SER A 224 57.933 2.098 -11.886 1.00 1.00 H new ATOM 875 N TYR A 225 53.272 1.696 -9.839 1.00 1.00 N ATOM 876 CA TYR A 225 52.020 2.342 -9.449 1.00 1.00 C ATOM 877 C TYR A 225 51.349 1.576 -8.322 1.00 1.00 C ATOM 878 O TYR A 225 50.165 1.767 -8.043 1.00 1.00 O ATOM 879 CB TYR A 225 51.073 2.411 -10.648 1.00 1.00 C ATOM 880 CG TYR A 225 51.599 3.413 -11.653 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.786 3.150 -12.351 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.902 4.607 -11.886 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.273 4.079 -13.279 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.391 5.534 -12.813 1.00 1.00 C ATOM 885 CZ TYR A 225 52.575 5.270 -13.511 1.00 1.00 C ATOM 886 OH TYR A 225 53.057 6.185 -14.425 1.00 1.00 O ATOM 0 H TYR A 225 53.193 1.056 -10.629 1.00 1.00 H new ATOM 0 HA TYR A 225 52.249 3.350 -9.104 1.00 1.00 H new ATOM 0 HB2 TYR A 225 50.984 1.428 -11.111 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.075 2.700 -10.320 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.325 2.231 -12.173 1.00 1.00 H new ATOM 0 HD2 TYR A 225 49.987 4.811 -11.350 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.188 3.876 -13.816 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.854 6.454 -12.990 1.00 1.00 H new ATOM 0 HH TYR A 225 52.453 6.955 -14.466 1.00 1.00 H new ATOM 896 N LEU A 226 52.119 0.711 -7.672 1.00 1.00 N ATOM 897 CA LEU A 226 51.604 -0.081 -6.561 1.00 1.00 C ATOM 898 C LEU A 226 52.704 -0.359 -5.548 1.00 1.00 C ATOM 899 O LEU A 226 53.878 -0.090 -5.803 1.00 1.00 O ATOM 900 CB LEU A 226 51.024 -1.390 -7.078 1.00 1.00 C ATOM 901 CG LEU A 226 52.103 -2.179 -7.838 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.094 -2.863 -6.866 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.409 -3.226 -8.718 1.00 1.00 C ATOM 0 H LEU A 226 53.100 0.540 -7.894 1.00 1.00 H new ATOM 0 HA LEU A 226 50.815 0.486 -6.067 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.646 -1.984 -6.246 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.178 -1.188 -7.736 1.00 1.00 H new ATOM 0 HG LEU A 226 52.681 -1.491 -8.455 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.843 -3.412 -7.437 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.586 -2.106 -6.255 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.552 -3.554 -6.220 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.159 -3.796 -9.266 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.827 -3.901 -8.090 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.746 -2.726 -9.425 1.00 1.00 H new ATOM 915 N VAL A 227 52.319 -0.905 -4.399 1.00 1.00 N ATOM 916 CA VAL A 227 53.284 -1.227 -3.346 1.00 1.00 C ATOM 917 C VAL A 227 52.954 -2.569 -2.704 1.00 1.00 C ATOM 918 O VAL A 227 51.814 -3.031 -2.754 1.00 1.00 O ATOM 919 CB VAL A 227 53.278 -0.137 -2.277 1.00 1.00 C ATOM 920 CG1 VAL A 227 53.902 1.135 -2.848 1.00 1.00 C ATOM 921 CG2 VAL A 227 51.838 0.150 -1.850 1.00 1.00 C ATOM 0 H VAL A 227 51.352 -1.134 -4.171 1.00 1.00 H new ATOM 0 HA VAL A 227 54.274 -1.287 -3.799 1.00 1.00 H new ATOM 0 HB VAL A 227 53.853 -0.470 -1.413 1.00 1.00 H new ATOM 0 HG11 VAL A 227 53.899 1.915 -2.087 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.928 0.931 -3.155 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.325 1.468 -3.711 1.00 1.00 H new ATOM 0 HG21 VAL A 227 51.833 0.928 -1.087 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.262 0.485 -2.713 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.391 -0.758 -1.445 1.00 1.00 H new ATOM 931 N GLU A 228 53.962 -3.186 -2.099 1.00 1.00 N ATOM 932 CA GLU A 228 53.771 -4.474 -1.444 1.00 1.00 C ATOM 933 C GLU A 228 52.917 -4.319 -0.194 1.00 1.00 C ATOM 934 O GLU A 228 52.868 -3.247 0.408 1.00 1.00 O ATOM 935 CB GLU A 228 55.123 -5.081 -1.056 1.00 1.00 C ATOM 936 CG GLU A 228 55.868 -5.517 -2.313 1.00 1.00 C ATOM 937 CD GLU A 228 57.256 -6.032 -1.943 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.553 -6.077 -0.761 1.00 1.00 O ATOM 939 OE2 GLU A 228 58.002 -6.374 -2.846 1.00 1.00 O ATOM 0 H GLU A 228 54.912 -2.819 -2.048 1.00 1.00 H new ATOM 0 HA GLU A 228 53.263 -5.135 -2.146 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.716 -4.351 -0.505 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.973 -5.935 -0.395 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.306 -6.297 -2.827 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.954 -4.679 -3.004 1.00 1.00 H new ATOM 946 N LYS A 229 52.245 -5.403 0.192 1.00 1.00 N ATOM 947 CA LYS A 229 51.386 -5.394 1.380 1.00 1.00 C ATOM 948 C LYS A 229 51.881 -6.409 2.408 1.00 1.00 C ATOM 949 O LYS A 229 51.665 -6.244 3.609 1.00 1.00 O ATOM 950 CB LYS A 229 49.947 -5.726 0.987 1.00 1.00 C ATOM 951 CG LYS A 229 49.029 -5.487 2.182 1.00 1.00 C ATOM 952 CD LYS A 229 47.579 -5.667 1.741 1.00 1.00 C ATOM 953 CE LYS A 229 46.653 -5.436 2.937 1.00 1.00 C ATOM 954 NZ LYS A 229 45.235 -5.589 2.506 1.00 1.00 N ATOM 0 H LYS A 229 52.277 -6.297 -0.298 1.00 1.00 H new ATOM 0 HA LYS A 229 51.421 -4.398 1.822 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.636 -5.107 0.145 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.877 -6.764 0.662 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.267 -6.185 2.985 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.180 -4.483 2.577 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.341 -4.966 0.941 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.431 -6.670 1.340 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.882 -6.148 3.730 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.814 -4.439 3.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.693 -6.061 3.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.825 -4.651 2.321 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 45.196 -6.162 1.639 1.00 1.00 H new