USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 358 THR OG1 : rot 76:sc= 0.74 USER MOD Single : A 360 THR OG1 : rot -32:sc= 0.381 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 TYR OH : rot 180:sc= 0 USER MOD Single : A 371 THR OG1 : rot -92:sc= 1.16 USER MOD Single : A 379 SER OG : rot 180:sc= 0 USER MOD Single : A 380 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 MET CE :methyl -122:sc= -11.1! (180deg=-16.4!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 ASN : amide:sc= -0.765 X(o=-0.77,f=-0.32) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -11.402 3.928 -18.182 1.00 0.00 N ATOM 44 CA ALA A 354 -11.462 2.499 -17.758 1.00 0.00 C ATOM 45 C ALA A 354 -10.210 2.145 -16.952 1.00 0.00 C ATOM 46 O ALA A 354 -10.257 1.354 -16.032 1.00 0.00 O ATOM 47 CB ALA A 354 -11.541 1.603 -18.996 1.00 0.00 C ATOM 0 HA ALA A 354 -12.345 2.345 -17.138 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -11.585 0.559 -18.687 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -12.436 1.850 -19.568 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -10.659 1.761 -19.616 1.00 0.00 H new ATOM 53 N ALA A 355 -9.089 2.723 -17.290 1.00 0.00 N ATOM 54 CA ALA A 355 -7.839 2.413 -16.542 1.00 0.00 C ATOM 55 C ALA A 355 -7.993 2.853 -15.085 1.00 0.00 C ATOM 56 O ALA A 355 -7.411 2.277 -14.187 1.00 0.00 O ATOM 57 CB ALA A 355 -6.664 3.156 -17.181 1.00 0.00 C ATOM 0 H ALA A 355 -8.986 3.395 -18.050 1.00 0.00 H new ATOM 0 HA ALA A 355 -7.651 1.340 -16.578 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -5.749 2.929 -16.634 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -6.554 2.840 -18.218 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -6.850 4.229 -17.147 1.00 0.00 H new ATOM 63 N ILE A 356 -8.776 3.867 -14.842 1.00 0.00 N ATOM 64 CA ILE A 356 -8.971 4.338 -13.441 1.00 0.00 C ATOM 65 C ILE A 356 -9.804 3.312 -12.677 1.00 0.00 C ATOM 66 O ILE A 356 -9.451 2.887 -11.595 1.00 0.00 O ATOM 67 CB ILE A 356 -9.699 5.684 -13.452 1.00 0.00 C ATOM 68 CG1 ILE A 356 -8.920 6.678 -14.316 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.801 6.222 -12.024 1.00 0.00 C ATOM 70 CD1 ILE A 356 -7.445 6.655 -13.914 1.00 0.00 C ATOM 0 H ILE A 356 -9.289 4.390 -15.552 1.00 0.00 H new ATOM 0 HA ILE A 356 -8.002 4.456 -12.955 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.700 5.551 -13.862 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -9.025 6.420 -15.370 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -9.327 7.682 -14.191 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -10.320 7.181 -12.033 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -10.356 5.515 -11.408 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.800 6.355 -11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -6.889 7.363 -14.529 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -7.350 6.933 -12.864 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -7.043 5.653 -14.062 1.00 0.00 H new ATOM 82 N ASP A 357 -10.908 2.908 -13.237 1.00 0.00 N ATOM 83 CA ASP A 357 -11.770 1.906 -12.551 1.00 0.00 C ATOM 84 C ASP A 357 -11.099 0.534 -12.617 1.00 0.00 C ATOM 85 O ASP A 357 -11.155 -0.237 -11.679 1.00 0.00 O ATOM 86 CB ASP A 357 -13.132 1.848 -13.244 1.00 0.00 C ATOM 87 CG ASP A 357 -13.863 3.178 -13.042 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.445 3.935 -12.181 1.00 0.00 O ATOM 89 OD2 ASP A 357 -14.824 3.417 -13.752 1.00 0.00 O ATOM 0 H ASP A 357 -11.252 3.229 -14.142 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.909 2.192 -11.508 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -13.003 1.650 -14.308 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -13.725 1.029 -12.837 1.00 0.00 H new ATOM 94 N THR A 358 -10.460 0.223 -13.711 1.00 0.00 N ATOM 95 CA THR A 358 -9.783 -1.099 -13.817 1.00 0.00 C ATOM 96 C THR A 358 -8.801 -1.241 -12.657 1.00 0.00 C ATOM 97 O THR A 358 -8.810 -2.216 -11.934 1.00 0.00 O ATOM 98 CB THR A 358 -9.028 -1.186 -15.146 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.939 -0.987 -16.220 1.00 0.00 O ATOM 100 CG2 THR A 358 -8.376 -2.562 -15.275 1.00 0.00 C ATOM 0 H THR A 358 -10.378 0.823 -14.531 1.00 0.00 H new ATOM 0 HA THR A 358 -10.522 -1.899 -13.777 1.00 0.00 H new ATOM 0 HB THR A 358 -8.256 -0.417 -15.177 1.00 0.00 H new ATOM 0 HG1 THR A 358 -10.165 -0.036 -16.286 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.839 -2.623 -16.221 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.678 -2.713 -14.451 1.00 0.00 H new ATOM 0 HG23 THR A 358 -9.145 -3.334 -15.244 1.00 0.00 H new ATOM 108 N PHE A 359 -7.963 -0.262 -12.466 1.00 0.00 N ATOM 109 CA PHE A 359 -6.987 -0.324 -11.345 1.00 0.00 C ATOM 110 C PHE A 359 -7.757 -0.464 -10.032 1.00 0.00 C ATOM 111 O PHE A 359 -7.362 -1.190 -9.142 1.00 0.00 O ATOM 112 CB PHE A 359 -6.153 0.959 -11.321 1.00 0.00 C ATOM 113 CG PHE A 359 -5.276 1.024 -12.553 1.00 0.00 C ATOM 114 CD1 PHE A 359 -5.071 -0.123 -13.332 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.666 2.232 -12.916 1.00 0.00 C ATOM 116 CE1 PHE A 359 -4.258 -0.061 -14.469 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.853 2.292 -14.053 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.650 1.146 -14.831 1.00 0.00 C ATOM 0 H PHE A 359 -7.912 0.580 -13.039 1.00 0.00 H new ATOM 0 HA PHE A 359 -6.322 -1.177 -11.476 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.809 1.829 -11.284 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.536 0.986 -10.423 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.541 -1.055 -13.054 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.823 3.117 -12.318 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -4.100 -0.946 -15.068 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -3.382 3.223 -14.331 1.00 0.00 H new ATOM 0 HZ PHE A 359 -3.024 1.194 -15.710 1.00 0.00 H new ATOM 128 N THR A 360 -8.866 0.216 -9.911 1.00 0.00 N ATOM 129 CA THR A 360 -9.671 0.108 -8.662 1.00 0.00 C ATOM 130 C THR A 360 -10.203 -1.319 -8.541 1.00 0.00 C ATOM 131 O THR A 360 -10.468 -1.808 -7.461 1.00 0.00 O ATOM 132 CB THR A 360 -10.844 1.090 -8.718 1.00 0.00 C ATOM 133 OG1 THR A 360 -11.819 0.609 -9.631 1.00 0.00 O ATOM 134 CG2 THR A 360 -10.341 2.461 -9.176 1.00 0.00 C ATOM 0 H THR A 360 -9.248 0.840 -10.622 1.00 0.00 H new ATOM 0 HA THR A 360 -9.049 0.347 -7.800 1.00 0.00 H new ATOM 0 HB THR A 360 -11.290 1.182 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 360 -11.376 0.118 -10.354 1.00 0.00 H new ATOM 0 HG21 THR A 360 -11.176 3.160 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 360 -9.594 2.828 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 360 -9.894 2.372 -10.166 1.00 0.00 H new ATOM 142 N LYS A 361 -10.357 -1.994 -9.649 1.00 0.00 N ATOM 143 CA LYS A 361 -10.865 -3.393 -9.607 1.00 0.00 C ATOM 144 C LYS A 361 -9.693 -4.346 -9.375 1.00 0.00 C ATOM 145 O LYS A 361 -9.823 -5.363 -8.723 1.00 0.00 O ATOM 146 CB LYS A 361 -11.536 -3.733 -10.940 1.00 0.00 C ATOM 147 CG LYS A 361 -11.929 -5.212 -10.945 1.00 0.00 C ATOM 148 CD LYS A 361 -12.555 -5.572 -12.294 1.00 0.00 C ATOM 149 CE LYS A 361 -13.143 -6.983 -12.222 1.00 0.00 C ATOM 150 NZ LYS A 361 -14.055 -7.202 -13.379 1.00 0.00 N ATOM 0 H LYS A 361 -10.152 -1.635 -10.582 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.589 -3.495 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.418 -3.110 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.857 -3.522 -11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -11.052 -5.832 -10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.635 -5.414 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -13.335 -4.854 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.803 -5.519 -13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -12.342 -7.723 -12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -13.687 -7.114 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -14.454 -8.161 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -14.826 -6.504 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -13.523 -7.094 -14.266 1.00 0.00 H new ATOM 164 N TYR A 362 -8.549 -4.026 -9.915 1.00 0.00 N ATOM 165 CA TYR A 362 -7.366 -4.914 -9.740 1.00 0.00 C ATOM 166 C TYR A 362 -6.452 -4.360 -8.644 1.00 0.00 C ATOM 167 O TYR A 362 -6.285 -4.958 -7.600 1.00 0.00 O ATOM 168 CB TYR A 362 -6.595 -4.987 -11.058 1.00 0.00 C ATOM 169 CG TYR A 362 -7.396 -5.782 -12.061 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.561 -5.240 -12.616 1.00 0.00 C ATOM 171 CD2 TYR A 362 -6.975 -7.064 -12.432 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.304 -5.978 -13.544 1.00 0.00 C ATOM 173 CE2 TYR A 362 -7.719 -7.803 -13.359 1.00 0.00 C ATOM 174 CZ TYR A 362 -8.884 -7.260 -13.914 1.00 0.00 C ATOM 175 OH TYR A 362 -9.618 -7.987 -14.829 1.00 0.00 O ATOM 0 H TYR A 362 -8.383 -3.187 -10.470 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.702 -5.910 -9.451 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.407 -3.983 -11.439 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.623 -5.454 -10.899 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.887 -4.251 -12.328 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.077 -7.483 -12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -10.201 -5.558 -13.974 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -7.394 -8.792 -13.646 1.00 0.00 H new ATOM 0 HH TYR A 362 -9.189 -8.856 -14.976 1.00 0.00 H new ATOM 185 N LEU A 363 -5.851 -3.225 -8.874 1.00 0.00 N ATOM 186 CA LEU A 363 -4.941 -2.643 -7.845 1.00 0.00 C ATOM 187 C LEU A 363 -5.709 -2.432 -6.537 1.00 0.00 C ATOM 188 O LEU A 363 -5.122 -2.248 -5.489 1.00 0.00 O ATOM 189 CB LEU A 363 -4.401 -1.294 -8.334 1.00 0.00 C ATOM 190 CG LEU A 363 -3.317 -1.505 -9.400 1.00 0.00 C ATOM 191 CD1 LEU A 363 -2.508 -2.766 -9.087 1.00 0.00 C ATOM 192 CD2 LEU A 363 -3.973 -1.649 -10.775 1.00 0.00 C ATOM 0 H LEU A 363 -5.950 -2.676 -9.728 1.00 0.00 H new ATOM 0 HA LEU A 363 -4.111 -3.329 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -5.215 -0.698 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.990 -0.734 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 363 -2.648 -0.644 -9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -1.742 -2.906 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -2.034 -2.661 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -3.172 -3.631 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -3.203 -1.799 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -4.647 -2.506 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -4.537 -0.745 -11.005 1.00 0.00 H new ATOM 204 N ASP A 364 -7.012 -2.448 -6.586 1.00 0.00 N ATOM 205 CA ASP A 364 -7.798 -2.236 -5.337 1.00 0.00 C ATOM 206 C ASP A 364 -7.436 -0.870 -4.758 1.00 0.00 C ATOM 207 O ASP A 364 -7.081 -0.742 -3.603 1.00 0.00 O ATOM 208 CB ASP A 364 -7.460 -3.331 -4.323 1.00 0.00 C ATOM 209 CG ASP A 364 -7.935 -4.685 -4.855 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.713 -4.690 -5.797 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.515 -5.693 -4.313 1.00 0.00 O ATOM 0 H ASP A 364 -7.564 -2.598 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.865 -2.276 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -6.385 -3.356 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.938 -3.116 -3.367 1.00 0.00 H new ATOM 216 N ILE A 365 -7.516 0.152 -5.564 1.00 0.00 N ATOM 217 CA ILE A 365 -7.172 1.518 -5.084 1.00 0.00 C ATOM 218 C ILE A 365 -8.334 2.468 -5.370 1.00 0.00 C ATOM 219 O ILE A 365 -9.417 2.050 -5.735 1.00 0.00 O ATOM 220 CB ILE A 365 -5.924 2.010 -5.818 1.00 0.00 C ATOM 221 CG1 ILE A 365 -6.038 1.662 -7.304 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.684 1.335 -5.231 1.00 0.00 C ATOM 223 CD1 ILE A 365 -5.066 2.529 -8.107 1.00 0.00 C ATOM 0 H ILE A 365 -7.807 0.098 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.982 1.490 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.837 3.090 -5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -5.814 0.607 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -7.059 1.826 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.796 1.687 -5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.602 1.582 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.769 0.254 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.147 2.281 -9.165 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.311 3.581 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -4.047 2.343 -7.768 1.00 0.00 H new ATOM 235 N ASP A 366 -8.117 3.744 -5.214 1.00 0.00 N ATOM 236 CA ASP A 366 -9.205 4.723 -5.482 1.00 0.00 C ATOM 237 C ASP A 366 -8.893 5.476 -6.773 1.00 0.00 C ATOM 238 O ASP A 366 -7.830 5.341 -7.344 1.00 0.00 O ATOM 239 CB ASP A 366 -9.307 5.711 -4.318 1.00 0.00 C ATOM 240 CG ASP A 366 -10.153 6.919 -4.724 1.00 0.00 C ATOM 241 OD1 ASP A 366 -11.241 6.711 -5.235 1.00 0.00 O ATOM 242 OD2 ASP A 366 -9.698 8.032 -4.519 1.00 0.00 O ATOM 0 H ASP A 366 -7.232 4.151 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 366 -10.154 4.198 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -9.752 5.220 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -8.311 6.039 -4.021 1.00 0.00 H new ATOM 247 N GLU A 367 -9.816 6.264 -7.234 1.00 0.00 N ATOM 248 CA GLU A 367 -9.588 7.029 -8.492 1.00 0.00 C ATOM 249 C GLU A 367 -8.424 8.002 -8.295 1.00 0.00 C ATOM 250 O GLU A 367 -7.555 8.126 -9.136 1.00 0.00 O ATOM 251 CB GLU A 367 -10.855 7.808 -8.850 1.00 0.00 C ATOM 252 CG GLU A 367 -11.989 6.824 -9.144 1.00 0.00 C ATOM 253 CD GLU A 367 -13.218 7.593 -9.634 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.192 8.811 -9.578 1.00 0.00 O ATOM 255 OE2 GLU A 367 -14.164 6.949 -10.059 1.00 0.00 O ATOM 0 H GLU A 367 -10.724 6.414 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.347 6.338 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -11.134 8.467 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -10.673 8.441 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -11.673 6.103 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -12.235 6.258 -8.246 1.00 0.00 H new ATOM 262 N ASP A 368 -8.404 8.695 -7.193 1.00 0.00 N ATOM 263 CA ASP A 368 -7.302 9.666 -6.936 1.00 0.00 C ATOM 264 C ASP A 368 -5.949 8.958 -7.050 1.00 0.00 C ATOM 265 O ASP A 368 -4.996 9.504 -7.568 1.00 0.00 O ATOM 266 CB ASP A 368 -7.454 10.248 -5.531 1.00 0.00 C ATOM 267 CG ASP A 368 -8.716 11.110 -5.470 1.00 0.00 C ATOM 268 OD1 ASP A 368 -9.283 11.371 -6.518 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.095 11.494 -4.376 1.00 0.00 O ATOM 0 H ASP A 368 -9.105 8.632 -6.455 1.00 0.00 H new ATOM 0 HA ASP A 368 -7.351 10.468 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -7.514 9.444 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -6.579 10.847 -5.277 1.00 0.00 H new ATOM 274 N PHE A 369 -5.855 7.748 -6.569 1.00 0.00 N ATOM 275 CA PHE A 369 -4.560 7.015 -6.652 1.00 0.00 C ATOM 276 C PHE A 369 -4.411 6.404 -8.046 1.00 0.00 C ATOM 277 O PHE A 369 -3.436 6.632 -8.735 1.00 0.00 O ATOM 278 CB PHE A 369 -4.532 5.903 -5.600 1.00 0.00 C ATOM 279 CG PHE A 369 -3.155 5.282 -5.551 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.752 4.393 -6.554 1.00 0.00 C ATOM 281 CD2 PHE A 369 -2.283 5.594 -4.502 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.477 3.815 -6.507 1.00 0.00 C ATOM 283 CE2 PHE A 369 -1.008 5.016 -4.455 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.606 4.127 -5.459 1.00 0.00 C ATOM 0 H PHE A 369 -6.617 7.237 -6.123 1.00 0.00 H new ATOM 0 HA PHE A 369 -3.738 7.707 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.794 6.308 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.276 5.143 -5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.424 4.153 -7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.593 6.281 -3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.167 3.128 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -0.335 5.256 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.377 3.682 -5.424 1.00 0.00 H new ATOM 294 N ALA A 370 -5.373 5.630 -8.468 1.00 0.00 N ATOM 295 CA ALA A 370 -5.289 5.006 -9.819 1.00 0.00 C ATOM 296 C ALA A 370 -4.919 6.074 -10.850 1.00 0.00 C ATOM 297 O ALA A 370 -3.999 5.908 -11.626 1.00 0.00 O ATOM 298 CB ALA A 370 -6.644 4.395 -10.181 1.00 0.00 C ATOM 0 H ALA A 370 -6.213 5.403 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.528 4.226 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.585 3.938 -11.169 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.909 3.636 -9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.405 5.175 -10.187 1.00 0.00 H new ATOM 304 N THR A 371 -5.631 7.167 -10.870 1.00 0.00 N ATOM 305 CA THR A 371 -5.317 8.238 -11.856 1.00 0.00 C ATOM 306 C THR A 371 -3.815 8.517 -11.843 1.00 0.00 C ATOM 307 O THR A 371 -3.194 8.644 -12.873 1.00 0.00 O ATOM 308 CB THR A 371 -6.074 9.517 -11.492 1.00 0.00 C ATOM 309 OG1 THR A 371 -5.827 9.841 -10.131 1.00 0.00 O ATOM 310 CG2 THR A 371 -7.573 9.306 -11.708 1.00 0.00 C ATOM 0 H THR A 371 -6.415 7.364 -10.248 1.00 0.00 H new ATOM 0 HA THR A 371 -5.621 7.910 -12.850 1.00 0.00 H new ATOM 0 HB THR A 371 -5.732 10.335 -12.127 1.00 0.00 H new ATOM 0 HG1 THR A 371 -6.520 9.438 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 371 -8.110 10.218 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 371 -7.759 9.061 -12.754 1.00 0.00 H new ATOM 0 HG23 THR A 371 -7.920 8.488 -11.076 1.00 0.00 H new ATOM 318 N VAL A 372 -3.225 8.612 -10.687 1.00 0.00 N ATOM 319 CA VAL A 372 -1.761 8.882 -10.627 1.00 0.00 C ATOM 320 C VAL A 372 -1.016 7.846 -11.473 1.00 0.00 C ATOM 321 O VAL A 372 -0.011 8.142 -12.087 1.00 0.00 O ATOM 322 CB VAL A 372 -1.285 8.798 -9.177 1.00 0.00 C ATOM 323 CG1 VAL A 372 0.238 8.932 -9.129 1.00 0.00 C ATOM 324 CG2 VAL A 372 -1.923 9.929 -8.369 1.00 0.00 C ATOM 0 H VAL A 372 -3.689 8.515 -9.784 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.559 9.880 -11.016 1.00 0.00 H new ATOM 0 HB VAL A 372 -1.576 7.837 -8.753 1.00 0.00 H new ATOM 0 HG11 VAL A 372 0.576 8.872 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 372 0.692 8.127 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 372 0.532 9.893 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -1.586 9.872 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.631 10.889 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -3.008 9.833 -8.403 1.00 0.00 H new ATOM 334 N LEU A 373 -1.506 6.636 -11.522 1.00 0.00 N ATOM 335 CA LEU A 373 -0.826 5.596 -12.341 1.00 0.00 C ATOM 336 C LEU A 373 -1.201 5.803 -13.807 1.00 0.00 C ATOM 337 O LEU A 373 -0.362 5.766 -14.685 1.00 0.00 O ATOM 338 CB LEU A 373 -1.278 4.204 -11.888 1.00 0.00 C ATOM 339 CG LEU A 373 -0.877 3.979 -10.426 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.479 4.636 -10.155 1.00 0.00 C ATOM 341 CD2 LEU A 373 -1.935 4.592 -9.507 1.00 0.00 C ATOM 0 H LEU A 373 -2.345 6.325 -11.032 1.00 0.00 H new ATOM 0 HA LEU A 373 0.254 5.676 -12.218 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.358 4.109 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.825 3.441 -12.521 1.00 0.00 H new ATOM 0 HG LEU A 373 -0.803 2.909 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.760 4.474 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.233 4.196 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.410 5.706 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.650 4.432 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -2.011 5.662 -9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -2.899 4.119 -9.696 1.00 0.00 H new ATOM 353 N VAL A 374 -2.455 6.039 -14.074 1.00 0.00 N ATOM 354 CA VAL A 374 -2.885 6.270 -15.478 1.00 0.00 C ATOM 355 C VAL A 374 -2.420 7.661 -15.902 1.00 0.00 C ATOM 356 O VAL A 374 -2.190 7.932 -17.065 1.00 0.00 O ATOM 357 CB VAL A 374 -4.410 6.196 -15.565 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.865 6.683 -16.941 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.861 4.750 -15.358 1.00 0.00 C ATOM 0 H VAL A 374 -3.200 6.082 -13.379 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.453 5.512 -16.131 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.851 6.827 -14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.952 6.631 -17.004 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.542 7.714 -17.087 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.426 6.052 -17.714 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.948 4.695 -15.420 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.422 4.118 -16.130 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.536 4.404 -14.377 1.00 0.00 H new ATOM 369 N GLU A 375 -2.272 8.542 -14.952 1.00 0.00 N ATOM 370 CA GLU A 375 -1.815 9.922 -15.259 1.00 0.00 C ATOM 371 C GLU A 375 -0.347 9.872 -15.679 1.00 0.00 C ATOM 372 O GLU A 375 0.079 10.560 -16.587 1.00 0.00 O ATOM 373 CB GLU A 375 -1.958 10.782 -14.000 1.00 0.00 C ATOM 374 CG GLU A 375 -3.422 11.196 -13.822 1.00 0.00 C ATOM 375 CD GLU A 375 -3.554 12.077 -12.577 1.00 0.00 C ATOM 376 OE1 GLU A 375 -2.562 12.244 -11.887 1.00 0.00 O ATOM 377 OE2 GLU A 375 -4.644 12.568 -12.337 1.00 0.00 O ATOM 0 H GLU A 375 -2.451 8.360 -13.964 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.413 10.349 -16.064 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.619 10.225 -13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.327 11.667 -14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -3.768 11.738 -14.702 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -4.052 10.312 -13.724 1.00 0.00 H new ATOM 384 N GLU A 376 0.427 9.056 -15.020 1.00 0.00 N ATOM 385 CA GLU A 376 1.869 8.944 -15.367 1.00 0.00 C ATOM 386 C GLU A 376 2.014 8.243 -16.720 1.00 0.00 C ATOM 387 O GLU A 376 2.887 8.562 -17.503 1.00 0.00 O ATOM 388 CB GLU A 376 2.581 8.126 -14.288 1.00 0.00 C ATOM 389 CG GLU A 376 2.627 8.933 -12.989 1.00 0.00 C ATOM 390 CD GLU A 376 3.638 10.071 -13.131 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.399 10.046 -14.084 1.00 0.00 O ATOM 392 OE2 GLU A 376 3.633 10.951 -12.286 1.00 0.00 O ATOM 0 H GLU A 376 0.120 8.459 -14.252 1.00 0.00 H new ATOM 0 HA GLU A 376 2.313 9.938 -15.426 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.058 7.184 -14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 376 3.592 7.878 -14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 376 1.640 9.336 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 376 2.905 8.287 -12.157 1.00 0.00 H new ATOM 399 N GLY A 377 1.163 7.295 -17.005 1.00 0.00 N ATOM 400 CA GLY A 377 1.257 6.581 -18.311 1.00 0.00 C ATOM 401 C GLY A 377 1.037 5.080 -18.100 1.00 0.00 C ATOM 402 O GLY A 377 1.552 4.261 -18.833 1.00 0.00 O ATOM 0 H GLY A 377 0.409 6.985 -16.392 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.513 6.973 -19.004 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.234 6.755 -18.761 1.00 0.00 H new ATOM 406 N PHE A 378 0.275 4.713 -17.106 1.00 0.00 N ATOM 407 CA PHE A 378 0.024 3.265 -16.855 1.00 0.00 C ATOM 408 C PHE A 378 -1.479 2.995 -16.947 1.00 0.00 C ATOM 409 O PHE A 378 -2.180 2.997 -15.956 1.00 0.00 O ATOM 410 CB PHE A 378 0.529 2.894 -15.459 1.00 0.00 C ATOM 411 CG PHE A 378 2.024 3.093 -15.395 1.00 0.00 C ATOM 412 CD1 PHE A 378 2.551 4.355 -15.094 1.00 0.00 C ATOM 413 CD2 PHE A 378 2.885 2.016 -15.638 1.00 0.00 C ATOM 414 CE1 PHE A 378 3.938 4.540 -15.035 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.271 2.201 -15.578 1.00 0.00 C ATOM 416 CZ PHE A 378 4.797 3.463 -15.278 1.00 0.00 C ATOM 0 H PHE A 378 -0.184 5.352 -16.457 1.00 0.00 H new ATOM 0 HA PHE A 378 0.550 2.665 -17.598 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.037 3.511 -14.707 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.279 1.857 -15.234 1.00 0.00 H new ATOM 0 HD1 PHE A 378 1.887 5.186 -14.907 1.00 0.00 H new ATOM 0 HD2 PHE A 378 2.480 1.043 -15.872 1.00 0.00 H new ATOM 0 HE1 PHE A 378 4.344 5.513 -14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 378 4.935 1.370 -15.763 1.00 0.00 H new ATOM 0 HZ PHE A 378 5.867 3.605 -15.234 1.00 0.00 H new ATOM 426 N SER A 379 -1.982 2.780 -18.133 1.00 0.00 N ATOM 427 CA SER A 379 -3.443 2.529 -18.291 1.00 0.00 C ATOM 428 C SER A 379 -3.726 1.025 -18.284 1.00 0.00 C ATOM 429 O SER A 379 -4.862 0.601 -18.369 1.00 0.00 O ATOM 430 CB SER A 379 -3.918 3.128 -19.616 1.00 0.00 C ATOM 431 OG SER A 379 -3.462 2.317 -20.690 1.00 0.00 O ATOM 0 H SER A 379 -1.444 2.767 -18.999 1.00 0.00 H new ATOM 0 HA SER A 379 -3.975 2.993 -17.461 1.00 0.00 H new ATOM 0 HB2 SER A 379 -5.006 3.191 -19.630 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.538 4.144 -19.726 1.00 0.00 H new ATOM 0 HG SER A 379 -3.767 2.698 -21.540 1.00 0.00 H new ATOM 437 N THR A 380 -2.712 0.210 -18.191 1.00 0.00 N ATOM 438 CA THR A 380 -2.947 -1.261 -18.185 1.00 0.00 C ATOM 439 C THR A 380 -2.131 -1.912 -17.066 1.00 0.00 C ATOM 440 O THR A 380 -1.078 -1.434 -16.692 1.00 0.00 O ATOM 441 CB THR A 380 -2.527 -1.849 -19.534 1.00 0.00 C ATOM 442 OG1 THR A 380 -3.016 -3.180 -19.639 1.00 0.00 O ATOM 443 CG2 THR A 380 -1.003 -1.852 -19.640 1.00 0.00 C ATOM 0 H THR A 380 -1.736 0.497 -18.119 1.00 0.00 H new ATOM 0 HA THR A 380 -4.006 -1.456 -18.016 1.00 0.00 H new ATOM 0 HB THR A 380 -2.941 -1.244 -20.340 1.00 0.00 H new ATOM 0 HG1 THR A 380 -2.750 -3.559 -20.503 1.00 0.00 H new ATOM 0 HG21 THR A 380 -0.706 -2.271 -20.601 1.00 0.00 H new ATOM 0 HG22 THR A 380 -0.631 -0.831 -19.559 1.00 0.00 H new ATOM 0 HG23 THR A 380 -0.584 -2.456 -18.836 1.00 0.00 H new ATOM 451 N LEU A 381 -2.612 -2.999 -16.526 1.00 0.00 N ATOM 452 CA LEU A 381 -1.867 -3.681 -15.431 1.00 0.00 C ATOM 453 C LEU A 381 -0.495 -4.120 -15.941 1.00 0.00 C ATOM 454 O LEU A 381 0.449 -4.243 -15.185 1.00 0.00 O ATOM 455 CB LEU A 381 -2.653 -4.908 -14.965 1.00 0.00 C ATOM 456 CG LEU A 381 -3.957 -4.457 -14.304 1.00 0.00 C ATOM 457 CD1 LEU A 381 -4.921 -5.642 -14.218 1.00 0.00 C ATOM 458 CD2 LEU A 381 -3.663 -3.936 -12.896 1.00 0.00 C ATOM 0 H LEU A 381 -3.489 -3.444 -16.796 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.740 -2.991 -14.596 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -2.868 -5.559 -15.813 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.058 -5.489 -14.261 1.00 0.00 H new ATOM 0 HG LEU A 381 -4.409 -3.662 -14.898 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.850 -5.322 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -5.132 -6.013 -15.221 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -4.469 -6.437 -13.625 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -4.592 -3.615 -12.425 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -3.211 -4.730 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -2.976 -3.092 -12.956 1.00 0.00 H new ATOM 470 N GLU A 382 -0.373 -4.358 -17.219 1.00 0.00 N ATOM 471 CA GLU A 382 0.941 -4.787 -17.773 1.00 0.00 C ATOM 472 C GLU A 382 1.973 -3.683 -17.534 1.00 0.00 C ATOM 473 O GLU A 382 3.075 -3.935 -17.095 1.00 0.00 O ATOM 474 CB GLU A 382 0.805 -5.048 -19.273 1.00 0.00 C ATOM 475 CG GLU A 382 0.288 -6.470 -19.496 1.00 0.00 C ATOM 476 CD GLU A 382 0.099 -6.715 -20.994 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.410 -5.821 -21.764 1.00 0.00 O ATOM 478 OE2 GLU A 382 -0.350 -7.793 -21.345 1.00 0.00 O ATOM 0 H GLU A 382 -1.126 -4.274 -17.902 1.00 0.00 H new ATOM 0 HA GLU A 382 1.265 -5.703 -17.278 1.00 0.00 H new ATOM 0 HB2 GLU A 382 0.120 -4.326 -19.718 1.00 0.00 H new ATOM 0 HB3 GLU A 382 1.769 -4.918 -19.765 1.00 0.00 H new ATOM 0 HG2 GLU A 382 0.992 -7.193 -19.084 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -0.657 -6.611 -18.971 1.00 0.00 H new ATOM 485 N GLU A 383 1.626 -2.458 -17.815 1.00 0.00 N ATOM 486 CA GLU A 383 2.590 -1.346 -17.595 1.00 0.00 C ATOM 487 C GLU A 383 2.941 -1.276 -16.109 1.00 0.00 C ATOM 488 O GLU A 383 4.088 -1.135 -15.736 1.00 0.00 O ATOM 489 CB GLU A 383 1.957 -0.025 -18.033 1.00 0.00 C ATOM 490 CG GLU A 383 1.784 -0.024 -19.554 1.00 0.00 C ATOM 491 CD GLU A 383 3.137 -0.281 -20.220 1.00 0.00 C ATOM 492 OE1 GLU A 383 4.086 0.404 -19.874 1.00 0.00 O ATOM 493 OE2 GLU A 383 3.202 -1.160 -21.064 1.00 0.00 O ATOM 0 H GLU A 383 0.718 -2.180 -18.187 1.00 0.00 H new ATOM 0 HA GLU A 383 3.493 -1.522 -18.179 1.00 0.00 H new ATOM 0 HB2 GLU A 383 0.991 0.107 -17.546 1.00 0.00 H new ATOM 0 HB3 GLU A 383 2.585 0.811 -17.727 1.00 0.00 H new ATOM 0 HG2 GLU A 383 1.069 -0.792 -19.850 1.00 0.00 H new ATOM 0 HG3 GLU A 383 1.380 0.933 -19.884 1.00 0.00 H new ATOM 500 N LEU A 384 1.957 -1.371 -15.257 1.00 0.00 N ATOM 501 CA LEU A 384 2.222 -1.309 -13.793 1.00 0.00 C ATOM 502 C LEU A 384 2.983 -2.559 -13.347 1.00 0.00 C ATOM 503 O LEU A 384 3.898 -2.490 -12.550 1.00 0.00 O ATOM 504 CB LEU A 384 0.891 -1.243 -13.040 1.00 0.00 C ATOM 505 CG LEU A 384 0.201 0.094 -13.318 1.00 0.00 C ATOM 506 CD1 LEU A 384 -1.144 0.126 -12.591 1.00 0.00 C ATOM 507 CD2 LEU A 384 1.079 1.242 -12.815 1.00 0.00 C ATOM 0 H LEU A 384 0.977 -1.489 -15.514 1.00 0.00 H new ATOM 0 HA LEU A 384 2.819 -0.423 -13.576 1.00 0.00 H new ATOM 0 HB2 LEU A 384 0.247 -2.066 -13.350 1.00 0.00 H new ATOM 0 HB3 LEU A 384 1.063 -1.358 -11.970 1.00 0.00 H new ATOM 0 HG LEU A 384 0.043 0.206 -14.391 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -1.640 1.077 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -1.771 -0.691 -12.949 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -0.981 0.015 -11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.585 2.193 -13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.239 1.135 -11.742 1.00 0.00 H new ATOM 0 HD23 LEU A 384 2.040 1.218 -13.329 1.00 0.00 H new ATOM 519 N ALA A 385 2.603 -3.701 -13.844 1.00 0.00 N ATOM 520 CA ALA A 385 3.291 -4.960 -13.439 1.00 0.00 C ATOM 521 C ALA A 385 4.608 -5.107 -14.204 1.00 0.00 C ATOM 522 O ALA A 385 5.578 -5.629 -13.691 1.00 0.00 O ATOM 523 CB ALA A 385 2.390 -6.152 -13.755 1.00 0.00 C ATOM 0 H ALA A 385 1.844 -3.819 -14.515 1.00 0.00 H new ATOM 0 HA ALA A 385 3.499 -4.925 -12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 385 2.890 -7.074 -13.460 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.453 -6.056 -13.206 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.183 -6.178 -14.825 1.00 0.00 H new ATOM 529 N TYR A 386 4.652 -4.660 -15.427 1.00 0.00 N ATOM 530 CA TYR A 386 5.906 -4.786 -16.219 1.00 0.00 C ATOM 531 C TYR A 386 6.914 -3.744 -15.735 1.00 0.00 C ATOM 532 O TYR A 386 8.105 -3.982 -15.716 1.00 0.00 O ATOM 533 CB TYR A 386 5.598 -4.566 -17.702 1.00 0.00 C ATOM 534 CG TYR A 386 4.846 -5.763 -18.241 1.00 0.00 C ATOM 535 CD1 TYR A 386 3.779 -6.312 -17.516 1.00 0.00 C ATOM 536 CD2 TYR A 386 5.218 -6.327 -19.467 1.00 0.00 C ATOM 537 CE1 TYR A 386 3.085 -7.417 -18.015 1.00 0.00 C ATOM 538 CE2 TYR A 386 4.523 -7.435 -19.968 1.00 0.00 C ATOM 539 CZ TYR A 386 3.457 -7.981 -19.242 1.00 0.00 C ATOM 540 OH TYR A 386 2.772 -9.072 -19.735 1.00 0.00 O ATOM 0 H TYR A 386 3.874 -4.213 -15.912 1.00 0.00 H new ATOM 0 HA TYR A 386 6.327 -5.783 -16.087 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.004 -3.661 -17.831 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.523 -4.422 -18.260 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.493 -5.879 -16.569 1.00 0.00 H new ATOM 0 HD2 TYR A 386 6.041 -5.908 -20.027 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.262 -7.836 -17.455 1.00 0.00 H new ATOM 0 HE2 TYR A 386 4.809 -7.869 -20.915 1.00 0.00 H new ATOM 0 HH TYR A 386 3.157 -9.338 -20.596 1.00 0.00 H new ATOM 550 N VAL A 387 6.446 -2.597 -15.329 1.00 0.00 N ATOM 551 CA VAL A 387 7.378 -1.551 -14.827 1.00 0.00 C ATOM 552 C VAL A 387 7.903 -1.985 -13.459 1.00 0.00 C ATOM 553 O VAL A 387 7.145 -2.380 -12.595 1.00 0.00 O ATOM 554 CB VAL A 387 6.632 -0.221 -14.696 1.00 0.00 C ATOM 555 CG1 VAL A 387 5.471 -0.384 -13.714 1.00 0.00 C ATOM 556 CG2 VAL A 387 7.587 0.856 -14.180 1.00 0.00 C ATOM 0 H VAL A 387 5.459 -2.339 -15.323 1.00 0.00 H new ATOM 0 HA VAL A 387 8.209 -1.424 -15.521 1.00 0.00 H new ATOM 0 HB VAL A 387 6.247 0.075 -15.672 1.00 0.00 H new ATOM 0 HG11 VAL A 387 4.939 0.562 -13.620 1.00 0.00 H new ATOM 0 HG12 VAL A 387 4.788 -1.149 -14.082 1.00 0.00 H new ATOM 0 HG13 VAL A 387 5.858 -0.681 -12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 387 7.053 1.802 -14.088 1.00 0.00 H new ATOM 0 HG22 VAL A 387 7.975 0.562 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 387 8.415 0.973 -14.879 1.00 0.00 H new ATOM 566 N PRO A 388 9.227 -1.924 -13.260 1.00 0.00 N ATOM 567 CA PRO A 388 9.853 -2.325 -11.994 1.00 0.00 C ATOM 568 C PRO A 388 9.484 -1.394 -10.839 1.00 0.00 C ATOM 569 O PRO A 388 8.936 -0.326 -11.029 1.00 0.00 O ATOM 570 CB PRO A 388 11.347 -2.225 -12.285 1.00 0.00 C ATOM 571 CG PRO A 388 11.441 -1.237 -13.395 1.00 0.00 C ATOM 572 CD PRO A 388 10.222 -1.460 -14.242 1.00 0.00 C ATOM 0 HA PRO A 388 9.527 -3.317 -11.682 1.00 0.00 H new ATOM 0 HB2 PRO A 388 11.902 -1.892 -11.408 1.00 0.00 H new ATOM 0 HB3 PRO A 388 11.761 -3.190 -12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.469 -0.218 -13.010 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.353 -1.384 -13.974 1.00 0.00 H new ATOM 0 HD2 PRO A 388 9.903 -0.545 -14.741 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.400 -2.202 -15.020 1.00 0.00 H new ATOM 580 N MET A 389 9.784 -1.805 -9.642 1.00 0.00 N ATOM 581 CA MET A 389 9.462 -0.971 -8.449 1.00 0.00 C ATOM 582 C MET A 389 10.108 0.408 -8.596 1.00 0.00 C ATOM 583 O MET A 389 9.435 1.412 -8.716 1.00 0.00 O ATOM 584 CB MET A 389 10.009 -1.655 -7.195 1.00 0.00 C ATOM 585 CG MET A 389 9.142 -1.295 -5.986 1.00 0.00 C ATOM 586 SD MET A 389 8.928 0.500 -5.896 1.00 0.00 S ATOM 587 CE MET A 389 10.673 0.938 -5.703 1.00 0.00 C ATOM 0 H MET A 389 10.243 -2.692 -9.434 1.00 0.00 H new ATOM 0 HA MET A 389 8.381 -0.857 -8.366 1.00 0.00 H new ATOM 0 HB2 MET A 389 10.022 -2.736 -7.336 1.00 0.00 H new ATOM 0 HB3 MET A 389 11.039 -1.344 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 389 8.170 -1.782 -6.066 1.00 0.00 H new ATOM 0 HG3 MET A 389 9.608 -1.661 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 389 10.807 1.500 -4.779 1.00 0.00 H new ATOM 0 HE2 MET A 389 11.274 0.030 -5.666 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.990 1.549 -6.548 1.00 0.00 H new ATOM 597 N LYS A 390 11.410 0.459 -8.568 1.00 0.00 N ATOM 598 CA LYS A 390 12.119 1.764 -8.686 1.00 0.00 C ATOM 599 C LYS A 390 11.399 2.682 -9.679 1.00 0.00 C ATOM 600 O LYS A 390 10.921 3.740 -9.322 1.00 0.00 O ATOM 601 CB LYS A 390 13.546 1.517 -9.171 1.00 0.00 C ATOM 602 CG LYS A 390 14.406 2.744 -8.867 1.00 0.00 C ATOM 603 CD LYS A 390 15.813 2.524 -9.423 1.00 0.00 C ATOM 604 CE LYS A 390 16.704 3.707 -9.039 1.00 0.00 C ATOM 605 NZ LYS A 390 18.087 3.217 -8.778 1.00 0.00 N ATOM 0 H LYS A 390 12.018 -0.354 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 390 12.132 2.247 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.962 0.637 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 390 13.548 1.314 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 390 13.961 3.634 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 390 14.450 2.914 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 390 16.231 1.598 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 390 15.775 2.421 -10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 390 16.713 4.446 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 390 16.308 4.203 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 18.696 4.019 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 18.070 2.527 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 18.462 2.763 -9.635 1.00 0.00 H new ATOM 619 N GLU A 391 11.317 2.293 -10.922 1.00 0.00 N ATOM 620 CA GLU A 391 10.633 3.159 -11.922 1.00 0.00 C ATOM 621 C GLU A 391 9.315 3.649 -11.331 1.00 0.00 C ATOM 622 O GLU A 391 8.872 4.750 -11.589 1.00 0.00 O ATOM 623 CB GLU A 391 10.353 2.358 -13.194 1.00 0.00 C ATOM 624 CG GLU A 391 9.863 3.304 -14.292 1.00 0.00 C ATOM 625 CD GLU A 391 9.680 2.523 -15.595 1.00 0.00 C ATOM 626 OE1 GLU A 391 10.059 1.365 -15.627 1.00 0.00 O ATOM 627 OE2 GLU A 391 9.162 3.098 -16.540 1.00 0.00 O ATOM 0 H GLU A 391 11.692 1.417 -11.287 1.00 0.00 H new ATOM 0 HA GLU A 391 11.270 4.009 -12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 391 11.257 1.843 -13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.603 1.592 -12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 391 8.920 3.764 -13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 391 10.580 4.112 -14.438 1.00 0.00 H new ATOM 634 N LEU A 392 8.686 2.831 -10.540 1.00 0.00 N ATOM 635 CA LEU A 392 7.390 3.237 -9.929 1.00 0.00 C ATOM 636 C LEU A 392 7.647 4.141 -8.719 1.00 0.00 C ATOM 637 O LEU A 392 7.031 5.177 -8.567 1.00 0.00 O ATOM 638 CB LEU A 392 6.622 1.994 -9.483 1.00 0.00 C ATOM 639 CG LEU A 392 6.274 1.140 -10.705 1.00 0.00 C ATOM 640 CD1 LEU A 392 5.467 -0.080 -10.259 1.00 0.00 C ATOM 641 CD2 LEU A 392 5.443 1.970 -11.686 1.00 0.00 C ATOM 0 H LEU A 392 9.012 1.898 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 392 6.802 3.782 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 392 7.223 1.415 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 392 5.712 2.285 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 392 7.191 0.811 -11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 392 5.218 -0.689 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 392 6.058 -0.671 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 392 4.549 0.249 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 392 5.195 1.363 -12.557 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.525 2.298 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 392 6.017 2.841 -12.003 1.00 0.00 H new ATOM 653 N LEU A 393 8.544 3.755 -7.853 1.00 0.00 N ATOM 654 CA LEU A 393 8.828 4.594 -6.653 1.00 0.00 C ATOM 655 C LEU A 393 9.385 5.950 -7.089 1.00 0.00 C ATOM 656 O LEU A 393 9.212 6.947 -6.416 1.00 0.00 O ATOM 657 CB LEU A 393 9.852 3.886 -5.764 1.00 0.00 C ATOM 658 CG LEU A 393 10.056 4.692 -4.481 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.459 3.928 -3.298 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.553 4.905 -4.247 1.00 0.00 C ATOM 0 H LEU A 393 9.091 2.897 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 393 7.904 4.746 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 393 9.507 2.880 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.798 3.780 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 393 9.561 5.658 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.604 4.503 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.393 3.775 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.954 2.962 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.700 5.480 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 393 12.048 3.938 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.979 5.449 -5.090 1.00 0.00 H new ATOM 672 N GLU A 394 10.053 5.998 -8.207 1.00 0.00 N ATOM 673 CA GLU A 394 10.620 7.291 -8.678 1.00 0.00 C ATOM 674 C GLU A 394 9.518 8.121 -9.337 1.00 0.00 C ATOM 675 O GLU A 394 9.595 9.331 -9.397 1.00 0.00 O ATOM 676 CB GLU A 394 11.733 7.024 -9.693 1.00 0.00 C ATOM 677 CG GLU A 394 12.790 6.109 -9.068 1.00 0.00 C ATOM 678 CD GLU A 394 14.073 6.179 -9.898 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.979 6.497 -11.072 1.00 0.00 O ATOM 680 OE2 GLU A 394 15.128 5.912 -9.346 1.00 0.00 O ATOM 0 H GLU A 394 10.231 5.198 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 394 11.029 7.838 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.319 6.560 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 394 12.189 7.964 -10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 394 12.990 6.414 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.423 5.083 -9.030 1.00 0.00 H new ATOM 687 N ILE A 395 8.499 7.476 -9.838 1.00 0.00 N ATOM 688 CA ILE A 395 7.387 8.215 -10.502 1.00 0.00 C ATOM 689 C ILE A 395 7.169 9.570 -9.825 1.00 0.00 C ATOM 690 O ILE A 395 6.824 10.542 -10.466 1.00 0.00 O ATOM 691 CB ILE A 395 6.105 7.387 -10.404 1.00 0.00 C ATOM 692 CG1 ILE A 395 6.217 6.173 -11.325 1.00 0.00 C ATOM 693 CG2 ILE A 395 4.910 8.242 -10.828 1.00 0.00 C ATOM 694 CD1 ILE A 395 4.880 5.430 -11.360 1.00 0.00 C ATOM 0 H ILE A 395 8.389 6.462 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 395 7.645 8.382 -11.548 1.00 0.00 H new ATOM 0 HB ILE A 395 5.963 7.054 -9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 395 6.494 6.491 -12.330 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.005 5.508 -10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 395 3.997 7.651 -10.758 1.00 0.00 H new ATOM 0 HG22 ILE A 395 4.832 9.109 -10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 395 5.048 8.576 -11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 395 4.962 4.564 -12.017 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.621 5.099 -10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 395 4.103 6.097 -11.733 1.00 0.00 H new ATOM 706 N GLU A 396 7.366 9.646 -8.540 1.00 0.00 N ATOM 707 CA GLU A 396 7.165 10.947 -7.839 1.00 0.00 C ATOM 708 C GLU A 396 7.564 10.808 -6.368 1.00 0.00 C ATOM 709 O GLU A 396 8.699 11.037 -6.000 1.00 0.00 O ATOM 710 CB GLU A 396 5.694 11.360 -7.934 1.00 0.00 C ATOM 711 CG GLU A 396 5.476 12.639 -7.125 1.00 0.00 C ATOM 712 CD GLU A 396 3.990 13.003 -7.130 1.00 0.00 C ATOM 713 OE1 GLU A 396 3.207 12.208 -7.620 1.00 0.00 O ATOM 714 OE2 GLU A 396 3.660 14.072 -6.642 1.00 0.00 O ATOM 0 H GLU A 396 7.656 8.869 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 396 7.786 11.709 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 396 5.416 11.523 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 396 5.055 10.563 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 396 5.822 12.497 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 396 6.062 13.454 -7.550 1.00 0.00 H new ATOM 721 N GLY A 397 6.640 10.444 -5.522 1.00 0.00 N ATOM 722 CA GLY A 397 6.972 10.302 -4.074 1.00 0.00 C ATOM 723 C GLY A 397 6.259 9.080 -3.494 1.00 0.00 C ATOM 724 O GLY A 397 5.776 9.101 -2.379 1.00 0.00 O ATOM 0 H GLY A 397 5.672 10.239 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 397 8.050 10.199 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 397 6.672 11.200 -3.533 1.00 0.00 H new ATOM 728 N LEU A 398 6.194 8.013 -4.238 1.00 0.00 N ATOM 729 CA LEU A 398 5.519 6.789 -3.723 1.00 0.00 C ATOM 730 C LEU A 398 6.473 6.041 -2.788 1.00 0.00 C ATOM 731 O LEU A 398 7.678 6.158 -2.897 1.00 0.00 O ATOM 732 CB LEU A 398 5.129 5.890 -4.898 1.00 0.00 C ATOM 733 CG LEU A 398 4.184 6.656 -5.826 1.00 0.00 C ATOM 734 CD1 LEU A 398 3.793 5.768 -7.009 1.00 0.00 C ATOM 735 CD2 LEU A 398 2.926 7.058 -5.053 1.00 0.00 C ATOM 0 H LEU A 398 6.578 7.934 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 398 4.620 7.067 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 398 6.019 5.578 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.645 4.984 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 398 4.686 7.550 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 398 3.120 6.316 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 398 4.688 5.482 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.292 4.873 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.252 7.604 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.425 6.164 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 398 3.203 7.693 -4.212 1.00 0.00 H new ATOM 747 N ASP A 399 5.948 5.283 -1.864 1.00 0.00 N ATOM 748 CA ASP A 399 6.833 4.542 -0.920 1.00 0.00 C ATOM 749 C ASP A 399 7.235 3.195 -1.526 1.00 0.00 C ATOM 750 O ASP A 399 6.583 2.677 -2.410 1.00 0.00 O ATOM 751 CB ASP A 399 6.096 4.306 0.399 1.00 0.00 C ATOM 752 CG ASP A 399 5.371 5.588 0.815 1.00 0.00 C ATOM 753 OD1 ASP A 399 5.832 6.654 0.443 1.00 0.00 O ATOM 754 OD2 ASP A 399 4.367 5.482 1.500 1.00 0.00 O ATOM 0 H ASP A 399 4.947 5.145 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 399 7.729 5.135 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 399 5.381 3.491 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 399 6.802 4.007 1.174 1.00 0.00 H new ATOM 759 N GLU A 400 8.311 2.633 -1.054 1.00 0.00 N ATOM 760 CA GLU A 400 8.779 1.324 -1.591 1.00 0.00 C ATOM 761 C GLU A 400 7.695 0.254 -1.416 1.00 0.00 C ATOM 762 O GLU A 400 7.408 -0.495 -2.328 1.00 0.00 O ATOM 763 CB GLU A 400 10.041 0.892 -0.842 1.00 0.00 C ATOM 764 CG GLU A 400 11.104 0.448 -1.849 1.00 0.00 C ATOM 765 CD GLU A 400 12.488 0.865 -1.346 1.00 0.00 C ATOM 766 OE1 GLU A 400 12.622 1.996 -0.910 1.00 0.00 O ATOM 767 OE2 GLU A 400 13.389 0.044 -1.404 1.00 0.00 O ATOM 0 H GLU A 400 8.892 3.027 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 400 8.995 1.436 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 400 10.419 1.717 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.809 0.076 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 400 11.064 -0.633 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.908 0.897 -2.823 1.00 0.00 H new ATOM 774 N PRO A 401 7.091 0.169 -0.218 1.00 0.00 N ATOM 775 CA PRO A 401 6.049 -0.828 0.068 1.00 0.00 C ATOM 776 C PRO A 401 4.755 -0.548 -0.702 1.00 0.00 C ATOM 777 O PRO A 401 4.220 -1.414 -1.368 1.00 0.00 O ATOM 778 CB PRO A 401 5.810 -0.678 1.569 1.00 0.00 C ATOM 779 CG PRO A 401 6.229 0.719 1.878 1.00 0.00 C ATOM 780 CD PRO A 401 7.367 1.030 0.946 1.00 0.00 C ATOM 0 HA PRO A 401 6.355 -1.831 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.763 -0.843 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 401 6.393 -1.402 2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 401 5.403 1.415 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 401 6.541 0.811 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 401 7.386 2.085 0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 401 8.332 0.800 1.398 1.00 0.00 H new ATOM 788 N THR A 402 4.247 0.650 -0.621 1.00 0.00 N ATOM 789 CA THR A 402 2.990 0.973 -1.352 1.00 0.00 C ATOM 790 C THR A 402 3.165 0.622 -2.830 1.00 0.00 C ATOM 791 O THR A 402 2.317 0.001 -3.439 1.00 0.00 O ATOM 792 CB THR A 402 2.687 2.467 -1.214 1.00 0.00 C ATOM 793 OG1 THR A 402 2.585 2.802 0.163 1.00 0.00 O ATOM 794 CG2 THR A 402 1.369 2.791 -1.920 1.00 0.00 C ATOM 0 H THR A 402 4.647 1.418 -0.082 1.00 0.00 H new ATOM 0 HA THR A 402 2.164 0.398 -0.933 1.00 0.00 H new ATOM 0 HB THR A 402 3.491 3.045 -1.670 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.393 3.759 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 402 1.155 3.855 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.449 2.534 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.562 2.215 -1.467 1.00 0.00 H new ATOM 802 N VAL A 403 4.265 1.016 -3.408 1.00 0.00 N ATOM 803 CA VAL A 403 4.505 0.710 -4.845 1.00 0.00 C ATOM 804 C VAL A 403 4.763 -0.786 -5.008 1.00 0.00 C ATOM 805 O VAL A 403 4.353 -1.397 -5.974 1.00 0.00 O ATOM 806 CB VAL A 403 5.728 1.486 -5.334 1.00 0.00 C ATOM 807 CG1 VAL A 403 5.727 1.525 -6.861 1.00 0.00 C ATOM 808 CG2 VAL A 403 5.679 2.913 -4.786 1.00 0.00 C ATOM 0 H VAL A 403 5.010 1.538 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 403 3.631 0.999 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 403 6.636 0.994 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 403 6.598 2.078 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 403 5.762 0.508 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 403 4.820 2.017 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 403 6.551 3.467 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 403 4.772 3.406 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 403 5.679 2.885 -3.696 1.00 0.00 H new ATOM 818 N GLU A 404 5.439 -1.382 -4.066 1.00 0.00 N ATOM 819 CA GLU A 404 5.723 -2.841 -4.164 1.00 0.00 C ATOM 820 C GLU A 404 4.403 -3.611 -4.251 1.00 0.00 C ATOM 821 O GLU A 404 4.246 -4.502 -5.062 1.00 0.00 O ATOM 822 CB GLU A 404 6.498 -3.295 -2.926 1.00 0.00 C ATOM 823 CG GLU A 404 6.942 -4.749 -3.108 1.00 0.00 C ATOM 824 CD GLU A 404 7.663 -5.223 -1.845 1.00 0.00 C ATOM 825 OE1 GLU A 404 7.774 -4.436 -0.920 1.00 0.00 O ATOM 826 OE2 GLU A 404 8.094 -6.364 -1.826 1.00 0.00 O ATOM 0 H GLU A 404 5.807 -0.922 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 404 6.318 -3.037 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 404 7.367 -2.655 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 404 5.873 -3.203 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 404 6.077 -5.383 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 404 7.603 -4.834 -3.971 1.00 0.00 H new ATOM 833 N ALA A 405 3.453 -3.274 -3.421 1.00 0.00 N ATOM 834 CA ALA A 405 2.145 -3.986 -3.459 1.00 0.00 C ATOM 835 C ALA A 405 1.424 -3.649 -4.764 1.00 0.00 C ATOM 836 O ALA A 405 0.684 -4.449 -5.301 1.00 0.00 O ATOM 837 CB ALA A 405 1.287 -3.542 -2.273 1.00 0.00 C ATOM 0 H ALA A 405 3.527 -2.537 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 405 2.313 -5.061 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.330 -4.063 -2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 405 1.802 -3.779 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 405 1.117 -2.467 -2.330 1.00 0.00 H new ATOM 843 N LEU A 406 1.636 -2.470 -5.280 1.00 0.00 N ATOM 844 CA LEU A 406 0.964 -2.084 -6.551 1.00 0.00 C ATOM 845 C LEU A 406 1.404 -3.036 -7.668 1.00 0.00 C ATOM 846 O LEU A 406 0.606 -3.474 -8.472 1.00 0.00 O ATOM 847 CB LEU A 406 1.351 -0.650 -6.918 1.00 0.00 C ATOM 848 CG LEU A 406 0.582 -0.218 -8.168 1.00 0.00 C ATOM 849 CD1 LEU A 406 -0.888 0.009 -7.811 1.00 0.00 C ATOM 850 CD2 LEU A 406 1.181 1.080 -8.712 1.00 0.00 C ATOM 0 H LEU A 406 2.245 -1.758 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.117 -2.146 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 406 1.126 0.022 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 406 2.424 -0.586 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 406 0.655 -0.998 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -1.435 0.317 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.315 -0.916 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -0.962 0.788 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 406 0.633 1.388 -9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 406 1.109 1.860 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 406 2.228 0.918 -8.968 1.00 0.00 H new ATOM 862 N ARG A 407 2.666 -3.366 -7.718 1.00 0.00 N ATOM 863 CA ARG A 407 3.151 -4.295 -8.778 1.00 0.00 C ATOM 864 C ARG A 407 2.556 -5.683 -8.537 1.00 0.00 C ATOM 865 O ARG A 407 1.990 -6.292 -9.424 1.00 0.00 O ATOM 866 CB ARG A 407 4.677 -4.381 -8.726 1.00 0.00 C ATOM 867 CG ARG A 407 5.279 -3.001 -8.992 1.00 0.00 C ATOM 868 CD ARG A 407 6.804 -3.110 -9.023 1.00 0.00 C ATOM 869 NE ARG A 407 7.297 -3.578 -7.697 1.00 0.00 N ATOM 870 CZ ARG A 407 7.942 -4.708 -7.603 1.00 0.00 C ATOM 871 NH1 ARG A 407 8.922 -4.971 -8.425 1.00 0.00 N ATOM 872 NH2 ARG A 407 7.608 -5.575 -6.686 1.00 0.00 N ATOM 0 H ARG A 407 3.381 -3.033 -7.072 1.00 0.00 H new ATOM 0 HA ARG A 407 2.844 -3.926 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.997 -4.747 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 407 5.036 -5.095 -9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 407 4.912 -2.609 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.969 -2.301 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 407 7.114 -3.805 -9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 407 7.243 -2.142 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 407 7.130 -3.015 -6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 407 9.183 -4.293 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 407 9.426 -5.855 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 407 6.843 -5.369 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 407 8.112 -6.459 -6.612 1.00 0.00 H new ATOM 886 N GLU A 408 2.676 -6.186 -7.338 1.00 0.00 N ATOM 887 CA GLU A 408 2.112 -7.531 -7.035 1.00 0.00 C ATOM 888 C GLU A 408 0.710 -7.634 -7.637 1.00 0.00 C ATOM 889 O GLU A 408 0.357 -8.620 -8.252 1.00 0.00 O ATOM 890 CB GLU A 408 2.035 -7.726 -5.520 1.00 0.00 C ATOM 891 CG GLU A 408 3.445 -7.914 -4.958 1.00 0.00 C ATOM 892 CD GLU A 408 3.361 -8.193 -3.456 1.00 0.00 C ATOM 893 OE1 GLU A 408 2.265 -8.145 -2.924 1.00 0.00 O ATOM 894 OE2 GLU A 408 4.396 -8.449 -2.863 1.00 0.00 O ATOM 0 H GLU A 408 3.140 -5.723 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 408 2.753 -8.302 -7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 408 1.559 -6.863 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 408 1.420 -8.594 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 408 3.943 -8.740 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 408 4.043 -7.021 -5.140 1.00 0.00 H new ATOM 901 N ARG A 409 -0.091 -6.618 -7.467 1.00 0.00 N ATOM 902 CA ARG A 409 -1.467 -6.652 -8.035 1.00 0.00 C ATOM 903 C ARG A 409 -1.381 -6.628 -9.561 1.00 0.00 C ATOM 904 O ARG A 409 -2.064 -7.364 -10.244 1.00 0.00 O ATOM 905 CB ARG A 409 -2.250 -5.428 -7.555 1.00 0.00 C ATOM 906 CG ARG A 409 -2.431 -5.492 -6.037 1.00 0.00 C ATOM 907 CD ARG A 409 -3.207 -4.259 -5.567 1.00 0.00 C ATOM 908 NE ARG A 409 -3.175 -4.182 -4.079 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.534 -5.213 -3.364 1.00 0.00 C ATOM 910 NH1 ARG A 409 -4.595 -5.898 -3.694 1.00 0.00 N ATOM 911 NH2 ARG A 409 -2.832 -5.556 -2.320 1.00 0.00 N ATOM 0 H ARG A 409 0.148 -5.766 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.974 -7.559 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.721 -4.516 -7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -3.223 -5.392 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.967 -6.400 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -1.459 -5.534 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -2.771 -3.357 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -4.238 -4.312 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 409 -2.872 -3.323 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -5.143 -5.627 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -4.876 -6.704 -3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -2.004 -5.019 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -3.111 -6.362 -1.760 1.00 0.00 H new ATOM 925 N ALA A 410 -0.546 -5.786 -10.104 1.00 0.00 N ATOM 926 CA ALA A 410 -0.417 -5.714 -11.585 1.00 0.00 C ATOM 927 C ALA A 410 -0.105 -7.105 -12.144 1.00 0.00 C ATOM 928 O ALA A 410 -0.712 -7.549 -13.094 1.00 0.00 O ATOM 929 CB ALA A 410 0.716 -4.753 -11.953 1.00 0.00 C ATOM 0 H ALA A 410 0.053 -5.144 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.354 -5.355 -12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.811 -4.700 -13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.494 -3.761 -11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.652 -5.112 -11.524 1.00 0.00 H new ATOM 935 N LYS A 411 0.839 -7.796 -11.566 1.00 0.00 N ATOM 936 CA LYS A 411 1.183 -9.153 -12.076 1.00 0.00 C ATOM 937 C LYS A 411 0.169 -10.169 -11.553 1.00 0.00 C ATOM 938 O LYS A 411 -0.615 -10.722 -12.299 1.00 0.00 O ATOM 939 CB LYS A 411 2.584 -9.540 -11.598 1.00 0.00 C ATOM 940 CG LYS A 411 3.634 -8.876 -12.491 1.00 0.00 C ATOM 941 CD LYS A 411 3.566 -9.474 -13.897 1.00 0.00 C ATOM 942 CE LYS A 411 4.789 -9.025 -14.699 1.00 0.00 C ATOM 943 NZ LYS A 411 5.854 -10.062 -14.601 1.00 0.00 N ATOM 0 H LYS A 411 1.386 -7.480 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 411 1.160 -9.145 -13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.724 -9.230 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.702 -10.623 -11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.462 -7.801 -12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.629 -9.023 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 411 3.534 -10.562 -13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 411 2.652 -9.154 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 411 4.515 -8.867 -15.742 1.00 0.00 H new ATOM 0 HE3 LYS A 411 5.158 -8.073 -14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 6.686 -9.758 -15.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 6.121 -10.192 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 5.499 -10.961 -14.984 1.00 0.00 H new ATOM 957 N ASN A 412 0.181 -10.424 -10.274 1.00 0.00 N ATOM 958 CA ASN A 412 -0.778 -11.408 -9.699 1.00 0.00 C ATOM 959 C ASN A 412 -2.175 -11.168 -10.277 1.00 0.00 C ATOM 960 O ASN A 412 -2.792 -12.063 -10.820 1.00 0.00 O ATOM 961 CB ASN A 412 -0.819 -11.245 -8.178 1.00 0.00 C ATOM 962 CG ASN A 412 0.543 -11.623 -7.588 1.00 0.00 C ATOM 963 OD1 ASN A 412 1.077 -12.672 -7.888 1.00 0.00 O ATOM 964 ND2 ASN A 412 1.130 -10.808 -6.754 1.00 0.00 N ATOM 0 H ASN A 412 0.815 -9.993 -9.601 1.00 0.00 H new ATOM 0 HA ASN A 412 -0.455 -12.418 -9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -1.067 -10.216 -7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -1.599 -11.878 -7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 412 2.036 -11.052 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 412 0.682 -9.927 -6.502 1.00 0.00 H new ATOM 971 N ALA A 413 -2.682 -9.971 -10.163 1.00 0.00 N ATOM 972 CA ALA A 413 -4.042 -9.687 -10.703 1.00 0.00 C ATOM 973 C ALA A 413 -4.062 -9.937 -12.211 1.00 0.00 C ATOM 974 O ALA A 413 -4.986 -10.527 -12.736 1.00 0.00 O ATOM 975 CB ALA A 413 -4.413 -8.231 -10.422 1.00 0.00 C ATOM 0 H ALA A 413 -2.215 -9.179 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 413 -4.764 -10.345 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.408 -8.026 -10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.407 -8.055 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.689 -7.572 -10.901 1.00 0.00 H new ATOM 981 N LEU A 414 -3.053 -9.499 -12.916 1.00 0.00 N ATOM 982 CA LEU A 414 -3.030 -9.722 -14.389 1.00 0.00 C ATOM 983 C LEU A 414 -2.901 -11.218 -14.672 1.00 0.00 C ATOM 984 O LEU A 414 -3.457 -11.730 -15.622 1.00 0.00 O ATOM 985 CB LEU A 414 -1.844 -8.981 -15.009 1.00 0.00 C ATOM 986 CG LEU A 414 -2.008 -8.939 -16.530 1.00 0.00 C ATOM 987 CD1 LEU A 414 -1.503 -7.596 -17.060 1.00 0.00 C ATOM 988 CD2 LEU A 414 -1.202 -10.074 -17.164 1.00 0.00 C ATOM 0 H LEU A 414 -2.248 -8.999 -12.537 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.955 -9.344 -14.825 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -1.786 -7.968 -14.611 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.912 -9.481 -14.747 1.00 0.00 H new ATOM 0 HG LEU A 414 -3.061 -9.058 -16.784 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.619 -7.565 -18.143 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -2.079 -6.787 -16.610 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -0.450 -7.477 -16.805 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.320 -10.043 -18.247 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -0.148 -9.958 -16.910 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -1.563 -11.031 -16.787 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.174 -11.927 -13.851 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.020 -13.391 -14.076 1.00 0.00 C ATOM 1002 C ALA A 415 -3.402 -14.044 -14.071 1.00 0.00 C ATOM 1003 O ALA A 415 -3.668 -14.962 -14.821 1.00 0.00 O ATOM 1004 CB ALA A 415 -1.164 -13.994 -12.960 1.00 0.00 C ATOM 0 H ALA A 415 -1.682 -11.557 -13.038 1.00 0.00 H new ATOM 0 HA ALA A 415 -1.533 -13.567 -15.035 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -1.052 -15.065 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.181 -13.522 -12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -1.648 -13.824 -11.998 1.00 0.00 H new ATOM 1010 N THR A 416 -4.284 -13.572 -13.233 1.00 0.00 N ATOM 1011 CA THR A 416 -5.652 -14.160 -13.182 1.00 0.00 C ATOM 1012 C THR A 416 -6.326 -13.985 -14.543 1.00 0.00 C ATOM 1013 O THR A 416 -6.986 -14.878 -15.039 1.00 0.00 O ATOM 1014 CB THR A 416 -6.474 -13.443 -12.108 1.00 0.00 C ATOM 1015 OG1 THR A 416 -5.808 -13.544 -10.858 1.00 0.00 O ATOM 1016 CG2 THR A 416 -7.857 -14.087 -12.004 1.00 0.00 C ATOM 0 H THR A 416 -4.116 -12.805 -12.582 1.00 0.00 H new ATOM 0 HA THR A 416 -5.587 -15.221 -12.940 1.00 0.00 H new ATOM 0 HB THR A 416 -6.585 -12.393 -12.378 1.00 0.00 H new ATOM 0 HG1 THR A 416 -6.332 -13.084 -10.170 1.00 0.00 H new ATOM 0 HG21 THR A 416 -8.440 -13.575 -11.239 1.00 0.00 H new ATOM 0 HG22 THR A 416 -8.368 -14.008 -12.963 1.00 0.00 H new ATOM 0 HG23 THR A 416 -7.750 -15.138 -11.736 1.00 0.00 H new