USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 281 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 NoAdj-H: A 391 HIS HD1 : A 391 HIS ND1 : A 403 ZNZN :(H bumps) USER MOD Single : A 365 SER OG : rot 170:sc= -1.27 USER MOD Single : A 366 LYS NZ :NH3+ -170:sc= -0.0154 (180deg=-0.187) USER MOD Single : A 368 ASN : amide:sc= 1.46 K(o=1.5,f=-0.28) USER MOD Single : A 369 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 23:sc= 0.761 USER MOD Single : A 374 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 378 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 384 TYR OH : rot -168:sc= 0.987 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 400 THR OG1 : rot -86:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 0.732 -16.077 19.034 1.00 10.97 N ATOM 2 CA GLY A 364 0.055 -16.920 18.022 1.00 10.49 C ATOM 3 C GLY A 364 -1.139 -16.213 17.423 1.00 9.66 C ATOM 4 O GLY A 364 -1.474 -15.101 17.827 1.00 9.60 O ATOM 0 HA2 GLY A 364 0.760 -17.179 17.232 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -0.267 -17.855 18.481 1.00 10.49 H new ATOM 10 N SER A 365 -1.793 -16.854 16.469 1.00 9.23 N ATOM 11 CA SER A 365 -2.949 -16.268 15.817 1.00 8.58 C ATOM 12 C SER A 365 -4.239 -16.885 16.351 1.00 8.19 C ATOM 13 O SER A 365 -5.165 -17.174 15.593 1.00 8.25 O ATOM 14 CB SER A 365 -2.843 -16.458 14.305 1.00 8.72 C ATOM 15 OG SER A 365 -1.624 -15.918 13.820 1.00 9.06 O ATOM 0 H SER A 365 -1.541 -17.782 16.129 1.00 9.23 H new ATOM 0 HA SER A 365 -2.973 -15.200 16.035 1.00 8.58 H new ATOM 0 HB2 SER A 365 -2.900 -17.519 14.061 1.00 8.72 H new ATOM 0 HB3 SER A 365 -3.685 -15.972 13.812 1.00 8.72 H new ATOM 0 HG SER A 365 -1.496 -16.187 12.886 1.00 9.06 H new ATOM 21 N LYS A 366 -4.283 -17.103 17.658 1.00 8.06 N ATOM 22 CA LYS A 366 -5.482 -17.612 18.308 1.00 8.04 C ATOM 23 C LYS A 366 -6.176 -16.496 19.074 1.00 7.21 C ATOM 24 O LYS A 366 -5.541 -15.793 19.864 1.00 7.19 O ATOM 25 CB LYS A 366 -5.157 -18.770 19.257 1.00 9.14 C ATOM 26 CG LYS A 366 -4.913 -20.102 18.561 1.00 9.84 C ATOM 27 CD LYS A 366 -3.587 -20.139 17.820 1.00 10.55 C ATOM 28 CE LYS A 366 -3.443 -21.422 17.017 1.00 11.43 C ATOM 29 NZ LYS A 366 -3.585 -22.635 17.866 1.00 12.01 N ATOM 0 H LYS A 366 -3.500 -16.935 18.290 1.00 8.06 H new ATOM 0 HA LYS A 366 -6.148 -17.988 17.531 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -4.273 -18.510 19.839 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -5.979 -18.888 19.963 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -4.935 -20.903 19.300 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -5.723 -20.294 17.858 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -3.515 -19.279 17.153 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -2.766 -20.059 18.533 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -4.196 -21.442 16.229 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -2.469 -21.435 16.528 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -3.314 -23.476 17.318 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -2.967 -22.550 18.698 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -4.573 -22.728 18.176 1.00 12.01 H new ATOM 43 N GLU A 367 -7.470 -16.331 18.818 1.00 6.82 N ATOM 44 CA GLU A 367 -8.275 -15.288 19.451 1.00 6.33 C ATOM 45 C GLU A 367 -7.784 -13.899 19.044 1.00 5.49 C ATOM 46 O GLU A 367 -7.993 -12.915 19.752 1.00 5.33 O ATOM 47 CB GLU A 367 -8.273 -15.451 20.972 1.00 6.67 C ATOM 48 CG GLU A 367 -8.901 -16.756 21.428 1.00 7.76 C ATOM 49 CD GLU A 367 -8.807 -16.966 22.921 1.00 8.29 C ATOM 50 OE1 GLU A 367 -9.676 -16.449 23.653 1.00 8.69 O ATOM 51 OE2 GLU A 367 -7.869 -17.658 23.369 1.00 8.52 O ATOM 0 H GLU A 367 -7.992 -16.916 18.166 1.00 6.82 H new ATOM 0 HA GLU A 367 -9.303 -15.392 19.104 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -7.247 -15.401 21.336 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -8.812 -14.618 21.422 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -9.949 -16.772 21.130 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -8.412 -17.586 20.918 1.00 7.76 H new ATOM 58 N ASN A 368 -7.132 -13.838 17.890 1.00 5.31 N ATOM 59 CA ASN A 368 -6.666 -12.582 17.319 1.00 4.94 C ATOM 60 C ASN A 368 -6.415 -12.767 15.831 1.00 4.43 C ATOM 61 O ASN A 368 -6.412 -13.894 15.332 1.00 4.57 O ATOM 62 CB ASN A 368 -5.385 -12.087 18.007 1.00 5.52 C ATOM 63 CG ASN A 368 -4.157 -12.916 17.674 1.00 5.70 C ATOM 64 OD1 ASN A 368 -3.469 -12.666 16.685 1.00 5.80 O ATOM 65 ND2 ASN A 368 -3.856 -13.897 18.509 1.00 6.18 N ATOM 0 H ASN A 368 -6.912 -14.658 17.324 1.00 5.31 H new ATOM 0 HA ASN A 368 -7.438 -11.829 17.477 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -5.204 -11.052 17.717 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -5.536 -12.094 19.086 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -3.031 -14.474 18.342 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -4.449 -14.077 19.320 1.00 6.18 H new ATOM 72 N MET A 369 -6.220 -11.664 15.129 1.00 4.24 N ATOM 73 CA MET A 369 -5.964 -11.706 13.700 1.00 4.21 C ATOM 74 C MET A 369 -4.497 -11.426 13.423 1.00 3.73 C ATOM 75 O MET A 369 -3.925 -10.473 13.961 1.00 3.81 O ATOM 76 CB MET A 369 -6.841 -10.690 12.965 1.00 4.95 C ATOM 77 CG MET A 369 -8.328 -10.971 13.092 1.00 5.74 C ATOM 78 SD MET A 369 -9.343 -9.725 12.276 1.00 6.64 S ATOM 79 CE MET A 369 -10.981 -10.352 12.631 1.00 6.99 C ATOM 0 H MET A 369 -6.234 -10.725 15.527 1.00 4.24 H new ATOM 0 HA MET A 369 -6.210 -12.703 13.335 1.00 4.21 H new ATOM 0 HB2 MET A 369 -6.633 -9.693 13.354 1.00 4.95 H new ATOM 0 HB3 MET A 369 -6.569 -10.683 11.909 1.00 4.95 H new ATOM 0 HG2 MET A 369 -8.547 -11.949 12.664 1.00 5.74 H new ATOM 0 HG3 MET A 369 -8.596 -11.018 14.148 1.00 5.74 H new ATOM 0 HE1 MET A 369 -11.727 -9.690 12.192 1.00 6.99 H new ATOM 0 HE2 MET A 369 -11.088 -11.351 12.207 1.00 6.99 H new ATOM 0 HE3 MET A 369 -11.127 -10.398 13.710 1.00 6.99 H new ATOM 89 N ALA A 370 -3.893 -12.251 12.584 1.00 3.73 N ATOM 90 CA ALA A 370 -2.484 -12.119 12.251 1.00 3.72 C ATOM 91 C ALA A 370 -2.277 -11.028 11.209 1.00 2.82 C ATOM 92 O ALA A 370 -1.931 -11.310 10.061 1.00 3.04 O ATOM 93 CB ALA A 370 -1.926 -13.443 11.753 1.00 4.68 C ATOM 0 H ALA A 370 -4.362 -13.027 12.117 1.00 3.73 H new ATOM 0 HA ALA A 370 -1.945 -11.836 13.155 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -0.870 -13.324 11.509 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -2.036 -14.199 12.530 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -2.471 -13.756 10.863 1.00 4.68 H new ATOM 99 N THR A 371 -2.488 -9.781 11.631 1.00 2.51 N ATOM 100 CA THR A 371 -2.363 -8.610 10.765 1.00 2.38 C ATOM 101 C THR A 371 -3.115 -8.795 9.447 1.00 2.34 C ATOM 102 O THR A 371 -2.517 -9.058 8.400 1.00 2.92 O ATOM 103 CB THR A 371 -0.889 -8.239 10.502 1.00 3.20 C ATOM 104 OG1 THR A 371 -0.141 -9.377 10.045 1.00 3.73 O ATOM 105 CG2 THR A 371 -0.244 -7.673 11.759 1.00 3.91 C ATOM 0 H THR A 371 -2.752 -9.554 12.590 1.00 2.51 H new ATOM 0 HA THR A 371 -2.823 -7.780 11.301 1.00 2.38 H new ATOM 0 HB THR A 371 -0.876 -7.478 9.721 1.00 3.20 H new ATOM 0 HG1 THR A 371 -0.753 -10.035 9.655 1.00 3.73 H new ATOM 0 HG21 THR A 371 0.795 -7.418 11.551 1.00 3.91 H new ATOM 0 HG22 THR A 371 -0.782 -6.778 12.072 1.00 3.91 H new ATOM 0 HG23 THR A 371 -0.283 -8.417 12.555 1.00 3.91 H new ATOM 113 N LEU A 372 -4.433 -8.672 9.517 1.00 2.45 N ATOM 114 CA LEU A 372 -5.279 -8.807 8.344 1.00 3.23 C ATOM 115 C LEU A 372 -5.255 -7.520 7.526 1.00 3.17 C ATOM 116 O LEU A 372 -5.929 -6.544 7.856 1.00 3.84 O ATOM 117 CB LEU A 372 -6.713 -9.161 8.759 1.00 4.21 C ATOM 118 CG LEU A 372 -7.729 -9.268 7.616 1.00 5.23 C ATOM 119 CD1 LEU A 372 -7.277 -10.290 6.582 1.00 5.79 C ATOM 120 CD2 LEU A 372 -9.099 -9.641 8.161 1.00 5.95 C ATOM 0 H LEU A 372 -4.940 -8.478 10.380 1.00 2.45 H new ATOM 0 HA LEU A 372 -4.893 -9.616 7.723 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -6.693 -10.111 9.293 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -7.064 -8.407 9.463 1.00 4.21 H new ATOM 0 HG LEU A 372 -7.797 -8.296 7.128 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -8.014 -10.348 5.781 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -6.315 -9.988 6.168 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -7.178 -11.267 7.055 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -9.810 -9.713 7.338 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -9.038 -10.601 8.673 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -9.432 -8.876 8.862 1.00 5.95 H new ATOM 132 N PHE A 373 -4.456 -7.524 6.475 1.00 2.73 N ATOM 133 CA PHE A 373 -4.341 -6.376 5.592 1.00 2.88 C ATOM 134 C PHE A 373 -5.022 -6.683 4.265 1.00 3.00 C ATOM 135 O PHE A 373 -5.112 -7.844 3.869 1.00 3.30 O ATOM 136 CB PHE A 373 -2.873 -6.039 5.359 1.00 3.13 C ATOM 137 CG PHE A 373 -2.115 -5.677 6.606 1.00 3.28 C ATOM 138 CD1 PHE A 373 -2.550 -4.642 7.416 1.00 3.81 C ATOM 139 CD2 PHE A 373 -0.982 -6.381 6.975 1.00 3.36 C ATOM 140 CE1 PHE A 373 -1.867 -4.314 8.571 1.00 4.26 C ATOM 141 CE2 PHE A 373 -0.296 -6.058 8.130 1.00 3.64 C ATOM 142 CZ PHE A 373 -0.694 -4.998 8.893 1.00 4.05 C ATOM 0 H PHE A 373 -3.872 -8.317 6.210 1.00 2.73 H new ATOM 0 HA PHE A 373 -4.827 -5.518 6.056 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -2.387 -6.893 4.888 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -2.810 -5.208 4.656 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -3.433 -4.085 7.142 1.00 3.81 H new ATOM 0 HD2 PHE A 373 -0.630 -7.191 6.354 1.00 3.36 H new ATOM 0 HE1 PHE A 373 -2.238 -3.534 9.220 1.00 4.26 H new ATOM 0 HE2 PHE A 373 0.558 -6.646 8.430 1.00 3.64 H new ATOM 0 HZ PHE A 373 -0.103 -4.690 9.743 1.00 4.05 H new ATOM 152 N THR A 374 -5.493 -5.653 3.578 1.00 3.03 N ATOM 153 CA THR A 374 -6.282 -5.850 2.372 1.00 3.49 C ATOM 154 C THR A 374 -5.562 -5.372 1.118 1.00 3.30 C ATOM 155 O THR A 374 -5.241 -6.168 0.235 1.00 3.66 O ATOM 156 CB THR A 374 -7.637 -5.138 2.495 1.00 3.95 C ATOM 157 OG1 THR A 374 -7.445 -3.801 2.978 1.00 3.66 O ATOM 158 CG2 THR A 374 -8.548 -5.899 3.440 1.00 4.50 C ATOM 0 H THR A 374 -5.343 -4.677 3.834 1.00 3.03 H new ATOM 0 HA THR A 374 -6.438 -6.924 2.271 1.00 3.49 H new ATOM 0 HB THR A 374 -8.103 -5.101 1.510 1.00 3.95 H new ATOM 0 HG1 THR A 374 -8.313 -3.352 3.053 1.00 3.66 H new ATOM 0 HG21 THR A 374 -9.505 -5.383 3.518 1.00 4.50 H new ATOM 0 HG22 THR A 374 -8.709 -6.907 3.057 1.00 4.50 H new ATOM 0 HG23 THR A 374 -8.085 -5.955 4.425 1.00 4.50 H new ATOM 166 N ILE A 375 -5.308 -4.078 1.041 1.00 2.90 N ATOM 167 CA ILE A 375 -4.684 -3.503 -0.139 1.00 2.78 C ATOM 168 C ILE A 375 -3.182 -3.750 -0.115 1.00 2.33 C ATOM 169 O ILE A 375 -2.441 -3.113 0.641 1.00 1.93 O ATOM 170 CB ILE A 375 -4.975 -1.990 -0.256 1.00 2.85 C ATOM 171 CG1 ILE A 375 -6.491 -1.755 -0.309 1.00 3.47 C ATOM 172 CG2 ILE A 375 -4.298 -1.411 -1.493 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.885 -0.300 -0.417 1.00 3.98 C ATOM 0 H ILE A 375 -5.523 -3.407 1.778 1.00 2.90 H new ATOM 0 HA ILE A 375 -5.113 -3.993 -1.013 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.571 -1.482 0.620 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.902 -2.296 -1.161 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -6.945 -2.178 0.587 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -4.513 -0.345 -1.560 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -3.221 -1.560 -1.421 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.675 -1.914 -2.383 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.971 -0.219 -0.449 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.506 0.245 0.448 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -6.462 0.125 -1.327 1.00 3.98 H new ATOM 185 N TRP A 376 -2.748 -4.704 -0.926 1.00 2.60 N ATOM 186 CA TRP A 376 -1.352 -5.095 -0.976 1.00 2.50 C ATOM 187 C TRP A 376 -0.548 -4.120 -1.819 1.00 2.39 C ATOM 188 O TRP A 376 -0.785 -3.985 -3.020 1.00 2.84 O ATOM 189 CB TRP A 376 -1.219 -6.513 -1.541 1.00 3.11 C ATOM 190 CG TRP A 376 0.163 -7.084 -1.417 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.212 -6.903 -2.275 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.644 -7.938 -0.373 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.316 -7.581 -1.820 1.00 3.79 N ATOM 194 CE2 TRP A 376 1.992 -8.225 -0.656 1.00 3.72 C ATOM 195 CE3 TRP A 376 0.066 -8.484 0.779 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.770 -9.032 0.168 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.841 -9.285 1.594 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.180 -9.550 1.287 1.00 4.01 C ATOM 0 H TRP A 376 -3.351 -5.224 -1.563 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.956 -5.079 0.040 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.921 -7.168 -1.025 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.506 -6.504 -2.592 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.177 -6.313 -3.179 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.229 -7.602 -2.275 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -0.966 -8.283 1.026 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.803 -9.242 -0.068 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.406 -9.715 2.484 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.760 -10.177 1.948 1.00 4.01 H new ATOM 209 N CYS A 377 0.395 -3.434 -1.194 1.00 1.89 N ATOM 210 CA CYS A 377 1.298 -2.583 -1.933 1.00 1.87 C ATOM 211 C CYS A 377 2.511 -3.390 -2.364 1.00 2.35 C ATOM 212 O CYS A 377 3.351 -3.759 -1.542 1.00 2.34 O ATOM 213 CB CYS A 377 1.747 -1.368 -1.116 1.00 1.27 C ATOM 214 SG CYS A 377 2.875 -0.300 -2.041 1.00 1.50 S ATOM 0 H CYS A 377 0.550 -3.452 -0.186 1.00 1.89 H new ATOM 0 HA CYS A 377 0.764 -2.208 -2.806 1.00 1.87 H new ATOM 0 HB2 CYS A 377 0.872 -0.793 -0.813 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.237 -1.707 -0.204 1.00 1.27 H new ATOM 219 N THR A 378 2.592 -3.661 -3.655 1.00 2.94 N ATOM 220 CA THR A 378 3.679 -4.448 -4.213 1.00 3.52 C ATOM 221 C THR A 378 5.026 -3.761 -3.996 1.00 3.48 C ATOM 222 O THR A 378 6.035 -4.417 -3.747 1.00 3.86 O ATOM 223 CB THR A 378 3.453 -4.694 -5.715 1.00 4.16 C ATOM 224 OG1 THR A 378 3.101 -3.460 -6.359 1.00 4.33 O ATOM 225 CG2 THR A 378 2.356 -5.724 -5.936 1.00 4.41 C ATOM 0 H THR A 378 1.910 -3.344 -4.344 1.00 2.94 H new ATOM 0 HA THR A 378 3.694 -5.406 -3.694 1.00 3.52 H new ATOM 0 HB THR A 378 4.377 -5.080 -6.146 1.00 4.16 H new ATOM 0 HG1 THR A 378 2.959 -3.619 -7.316 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.214 -5.881 -7.005 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.640 -6.665 -5.466 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.426 -5.365 -5.496 1.00 4.41 H new ATOM 233 N LEU A 379 5.026 -2.432 -4.069 1.00 3.11 N ATOM 234 CA LEU A 379 6.237 -1.647 -3.865 1.00 3.12 C ATOM 235 C LEU A 379 6.723 -1.751 -2.422 1.00 2.90 C ATOM 236 O LEU A 379 7.901 -1.545 -2.132 1.00 3.23 O ATOM 237 CB LEU A 379 6.003 -0.175 -4.226 1.00 2.85 C ATOM 238 CG LEU A 379 5.838 0.116 -5.721 1.00 3.33 C ATOM 239 CD1 LEU A 379 4.548 -0.476 -6.253 1.00 3.73 C ATOM 240 CD2 LEU A 379 5.890 1.611 -5.986 1.00 3.32 C ATOM 0 H LEU A 379 4.195 -1.875 -4.269 1.00 3.11 H new ATOM 0 HA LEU A 379 7.004 -2.055 -4.523 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.111 0.172 -3.705 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.841 0.412 -3.849 1.00 2.85 H new ATOM 0 HG LEU A 379 6.667 -0.356 -6.248 1.00 3.33 H new ATOM 0 HD11 LEU A 379 4.457 -0.254 -7.316 1.00 3.73 H new ATOM 0 HD12 LEU A 379 4.556 -1.556 -6.107 1.00 3.73 H new ATOM 0 HD13 LEU A 379 3.702 -0.044 -5.719 1.00 3.73 H new ATOM 0 HD21 LEU A 379 5.771 1.796 -7.054 1.00 3.32 H new ATOM 0 HD22 LEU A 379 5.086 2.105 -5.440 1.00 3.32 H new ATOM 0 HD23 LEU A 379 6.850 2.006 -5.654 1.00 3.32 H new ATOM 252 N CYS A 380 5.808 -2.072 -1.516 1.00 2.49 N ATOM 253 CA CYS A 380 6.144 -2.207 -0.105 1.00 2.51 C ATOM 254 C CYS A 380 6.338 -3.669 0.285 1.00 2.94 C ATOM 255 O CYS A 380 6.835 -3.966 1.373 1.00 3.19 O ATOM 256 CB CYS A 380 5.056 -1.581 0.769 1.00 1.96 C ATOM 257 SG CYS A 380 5.169 0.214 0.932 1.00 1.82 S ATOM 0 H CYS A 380 4.826 -2.244 -1.734 1.00 2.49 H new ATOM 0 HA CYS A 380 7.084 -1.680 0.058 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.081 -1.835 0.352 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.104 -2.027 1.762 1.00 1.96 H new ATOM 262 N ASP A 381 5.938 -4.570 -0.616 1.00 3.16 N ATOM 263 CA ASP A 381 5.992 -6.014 -0.374 1.00 3.64 C ATOM 264 C ASP A 381 5.149 -6.382 0.848 1.00 3.40 C ATOM 265 O ASP A 381 5.423 -7.348 1.558 1.00 3.81 O ATOM 266 CB ASP A 381 7.448 -6.486 -0.211 1.00 4.29 C ATOM 267 CG ASP A 381 7.580 -7.996 -0.161 1.00 4.85 C ATOM 268 OD1 ASP A 381 7.164 -8.669 -1.127 1.00 4.47 O ATOM 269 OD2 ASP A 381 8.120 -8.520 0.837 1.00 5.79 O ATOM 0 H ASP A 381 5.568 -4.319 -1.533 1.00 3.16 H new ATOM 0 HA ASP A 381 5.573 -6.527 -1.240 1.00 3.64 H new ATOM 0 HB2 ASP A 381 8.043 -6.102 -1.039 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.862 -6.060 0.703 1.00 4.29 H new ATOM 274 N ARG A 382 4.105 -5.599 1.074 1.00 2.80 N ATOM 275 CA ARG A 382 3.213 -5.803 2.204 1.00 2.63 C ATOM 276 C ARG A 382 1.921 -5.036 1.977 1.00 2.07 C ATOM 277 O ARG A 382 1.883 -4.085 1.190 1.00 1.71 O ATOM 278 CB ARG A 382 3.876 -5.348 3.512 1.00 2.81 C ATOM 279 CG ARG A 382 4.262 -3.880 3.526 1.00 2.50 C ATOM 280 CD ARG A 382 4.884 -3.477 4.851 1.00 2.97 C ATOM 281 NE ARG A 382 6.114 -4.214 5.130 1.00 3.24 N ATOM 282 CZ ARG A 382 6.761 -4.168 6.290 1.00 3.71 C ATOM 283 NH1 ARG A 382 6.306 -3.409 7.280 1.00 3.88 N ATOM 284 NH2 ARG A 382 7.863 -4.882 6.462 1.00 4.27 N ATOM 0 H ARG A 382 3.853 -4.808 0.482 1.00 2.80 H new ATOM 0 HA ARG A 382 2.993 -6.867 2.288 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.195 -5.543 4.340 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.768 -5.950 3.685 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.966 -3.681 2.718 1.00 2.50 H new ATOM 0 HG3 ARG A 382 3.379 -3.269 3.338 1.00 2.50 H new ATOM 0 HD2 ARG A 382 5.097 -2.408 4.840 1.00 2.97 H new ATOM 0 HD3 ARG A 382 4.168 -3.651 5.654 1.00 2.97 H new ATOM 0 HE ARG A 382 6.500 -4.800 4.389 1.00 3.24 H new ATOM 0 HH11 ARG A 382 5.457 -2.858 7.152 1.00 3.88 H new ATOM 0 HH12 ARG A 382 6.806 -3.377 8.169 1.00 3.88 H new ATOM 0 HH21 ARG A 382 8.215 -5.467 5.704 1.00 4.27 H new ATOM 0 HH22 ARG A 382 8.360 -4.847 7.352 1.00 4.27 H new ATOM 298 N ALA A 383 0.867 -5.453 2.653 1.00 2.12 N ATOM 299 CA ALA A 383 -0.432 -4.830 2.494 1.00 1.86 C ATOM 300 C ALA A 383 -0.747 -3.929 3.673 1.00 1.87 C ATOM 301 O ALA A 383 -0.090 -3.990 4.711 1.00 2.20 O ATOM 302 CB ALA A 383 -1.506 -5.890 2.333 1.00 2.24 C ATOM 0 H ALA A 383 0.886 -6.224 3.320 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.410 -4.215 1.595 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.477 -5.409 2.214 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.291 -6.495 1.452 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.523 -6.528 3.216 1.00 2.24 H new ATOM 308 N TYR A 384 -1.753 -3.090 3.505 1.00 1.86 N ATOM 309 CA TYR A 384 -2.172 -2.174 4.548 1.00 2.28 C ATOM 310 C TYR A 384 -3.681 -2.274 4.751 1.00 2.69 C ATOM 311 O TYR A 384 -4.384 -2.831 3.904 1.00 2.63 O ATOM 312 CB TYR A 384 -1.767 -0.739 4.178 1.00 2.27 C ATOM 313 CG TYR A 384 -0.268 -0.531 4.111 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.466 -0.195 5.245 1.00 2.15 C ATOM 315 CD2 TYR A 384 0.409 -0.663 2.908 1.00 2.37 C ATOM 316 CE1 TYR A 384 1.833 0.003 5.175 1.00 2.34 C ATOM 317 CE2 TYR A 384 1.774 -0.463 2.831 1.00 2.31 C ATOM 318 CZ TYR A 384 2.489 -0.168 4.009 1.00 2.17 C ATOM 319 OH TYR A 384 3.843 0.076 3.888 1.00 2.46 O ATOM 0 H TYR A 384 -2.299 -3.025 2.646 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.679 -2.442 5.483 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -2.204 -0.484 3.213 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.189 -0.051 4.911 1.00 2.27 H new ATOM 0 HD1 TYR A 384 -0.039 -0.087 6.193 1.00 2.15 H new ATOM 0 HD2 TYR A 384 -0.140 -0.927 2.016 1.00 2.37 H new ATOM 0 HE1 TYR A 384 2.379 0.296 6.060 1.00 2.34 H new ATOM 0 HE2 TYR A 384 2.285 -0.532 1.882 1.00 2.31 H new ATOM 0 HH TYR A 384 4.091 0.080 2.940 1.00 2.46 H new ATOM 329 N PRO A 385 -4.205 -1.772 5.887 1.00 3.25 N ATOM 330 CA PRO A 385 -5.653 -1.732 6.136 1.00 3.72 C ATOM 331 C PRO A 385 -6.379 -0.879 5.099 1.00 3.86 C ATOM 332 O PRO A 385 -7.579 -1.029 4.870 1.00 4.19 O ATOM 333 CB PRO A 385 -5.769 -1.096 7.527 1.00 4.33 C ATOM 334 CG PRO A 385 -4.429 -1.278 8.154 1.00 4.36 C ATOM 335 CD PRO A 385 -3.439 -1.231 7.025 1.00 3.62 C ATOM 0 HA PRO A 385 -6.107 -2.721 6.075 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.030 -0.040 7.456 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -6.548 -1.579 8.117 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.228 -0.493 8.883 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.372 -2.228 8.685 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -3.095 -0.215 6.833 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.555 -1.832 7.238 1.00 3.62 H new ATOM 343 N SER A 386 -5.632 0.023 4.484 1.00 3.73 N ATOM 344 CA SER A 386 -6.141 0.863 3.418 1.00 3.96 C ATOM 345 C SER A 386 -5.077 0.967 2.326 1.00 3.45 C ATOM 346 O SER A 386 -4.227 0.084 2.219 1.00 2.87 O ATOM 347 CB SER A 386 -6.499 2.241 3.978 1.00 4.60 C ATOM 348 OG SER A 386 -7.346 2.122 5.115 1.00 5.22 O ATOM 0 H SER A 386 -4.652 0.192 4.713 1.00 3.73 H new ATOM 0 HA SER A 386 -7.045 0.431 2.988 1.00 3.96 H new ATOM 0 HB2 SER A 386 -5.589 2.775 4.252 1.00 4.60 H new ATOM 0 HB3 SER A 386 -6.996 2.833 3.209 1.00 4.60 H new ATOM 0 HG SER A 386 -7.561 3.015 5.458 1.00 5.22 H new ATOM 354 N ASP A 387 -5.120 2.023 1.518 1.00 3.74 N ATOM 355 CA ASP A 387 -4.108 2.221 0.477 1.00 3.41 C ATOM 356 C ASP A 387 -2.747 2.469 1.111 1.00 3.00 C ATOM 357 O ASP A 387 -2.643 2.696 2.319 1.00 3.29 O ATOM 358 CB ASP A 387 -4.466 3.402 -0.432 1.00 3.99 C ATOM 359 CG ASP A 387 -5.757 3.196 -1.196 1.00 4.53 C ATOM 360 OD1 ASP A 387 -5.737 2.513 -2.246 1.00 5.09 O ATOM 361 OD2 ASP A 387 -6.800 3.729 -0.759 1.00 4.59 O ATOM 0 H ASP A 387 -5.835 2.749 1.560 1.00 3.74 H new ATOM 0 HA ASP A 387 -4.074 1.315 -0.129 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.549 4.305 0.172 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.654 3.566 -1.141 1.00 3.99 H new ATOM 366 N CYS A 388 -1.700 2.436 0.300 1.00 2.47 N ATOM 367 CA CYS A 388 -0.361 2.670 0.806 1.00 2.15 C ATOM 368 C CYS A 388 -0.194 4.142 1.173 1.00 2.66 C ATOM 369 O CYS A 388 -0.477 5.024 0.363 1.00 2.92 O ATOM 370 CB CYS A 388 0.699 2.254 -0.220 1.00 1.60 C ATOM 371 SG CYS A 388 2.384 2.645 0.298 1.00 1.51 S ATOM 0 H CYS A 388 -1.753 2.251 -0.702 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.221 2.060 1.698 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.621 1.182 -0.399 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.493 2.751 -1.168 1.00 1.60 H new ATOM 376 N PRO A 389 0.272 4.426 2.400 1.00 2.96 N ATOM 377 CA PRO A 389 0.431 5.800 2.895 1.00 3.57 C ATOM 378 C PRO A 389 1.502 6.583 2.136 1.00 3.52 C ATOM 379 O PRO A 389 1.628 7.798 2.293 1.00 4.04 O ATOM 380 CB PRO A 389 0.839 5.609 4.359 1.00 3.90 C ATOM 381 CG PRO A 389 1.430 4.243 4.417 1.00 3.60 C ATOM 382 CD PRO A 389 0.674 3.428 3.410 1.00 2.92 C ATOM 0 HA PRO A 389 -0.481 6.382 2.765 1.00 3.57 H new ATOM 0 HB2 PRO A 389 1.560 6.365 4.670 1.00 3.90 H new ATOM 0 HB3 PRO A 389 -0.021 5.696 5.023 1.00 3.90 H new ATOM 0 HG2 PRO A 389 2.494 4.267 4.181 1.00 3.60 H new ATOM 0 HG3 PRO A 389 1.334 3.817 5.416 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.297 2.645 2.977 1.00 2.92 H new ATOM 0 HD3 PRO A 389 -0.190 2.937 3.857 1.00 2.92 H new ATOM 390 N GLU A 390 2.277 5.883 1.319 1.00 3.00 N ATOM 391 CA GLU A 390 3.317 6.523 0.522 1.00 3.02 C ATOM 392 C GLU A 390 3.034 6.380 -0.969 1.00 2.79 C ATOM 393 O GLU A 390 3.000 7.368 -1.703 1.00 3.12 O ATOM 394 CB GLU A 390 4.681 5.918 0.841 1.00 2.87 C ATOM 395 CG GLU A 390 5.131 6.133 2.273 1.00 3.42 C ATOM 396 CD GLU A 390 6.496 5.546 2.537 1.00 3.53 C ATOM 397 OE1 GLU A 390 7.500 6.147 2.107 1.00 3.98 O ATOM 398 OE2 GLU A 390 6.577 4.477 3.172 1.00 3.63 O ATOM 0 H GLU A 390 2.206 4.874 1.190 1.00 3.00 H new ATOM 0 HA GLU A 390 3.323 7.583 0.776 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.649 4.848 0.638 1.00 2.87 H new ATOM 0 HB3 GLU A 390 5.424 6.348 0.169 1.00 2.87 H new ATOM 0 HG2 GLU A 390 5.149 7.201 2.490 1.00 3.42 H new ATOM 0 HG3 GLU A 390 4.406 5.682 2.951 1.00 3.42 H new ATOM 405 N HIS A 391 2.815 5.145 -1.403 1.00 2.46 N ATOM 406 CA HIS A 391 2.678 4.841 -2.827 1.00 2.55 C ATOM 407 C HIS A 391 1.219 4.868 -3.266 1.00 2.98 C ATOM 408 O HIS A 391 0.907 4.635 -4.435 1.00 3.51 O ATOM 409 CB HIS A 391 3.286 3.468 -3.133 1.00 2.20 C ATOM 410 CG HIS A 391 4.719 3.330 -2.711 1.00 2.05 C ATOM 411 ND1 HIS A 391 5.117 2.349 -1.835 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.799 4.063 -3.072 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.421 2.503 -1.682 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.876 3.530 -2.414 1.00 2.43 N ATOM 0 H HIS A 391 2.728 4.334 -0.790 1.00 2.46 H new ATOM 0 HA HIS A 391 3.214 5.610 -3.384 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.695 2.700 -2.634 1.00 2.20 H new ATOM 0 HB3 HIS A 391 3.213 3.280 -4.204 1.00 2.20 H new ATOM 0 HD2 HIS A 391 5.809 4.905 -3.748 1.00 2.40 H new ATOM 0 HE1 HIS A 391 7.039 1.883 -1.050 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.842 3.853 -2.470 1.00 2.43 H new ATOM 422 N GLY A 392 0.326 5.149 -2.329 1.00 2.94 N ATOM 423 CA GLY A 392 -1.083 5.228 -2.652 1.00 3.41 C ATOM 424 C GLY A 392 -1.452 6.579 -3.226 1.00 3.36 C ATOM 425 O GLY A 392 -0.585 7.297 -3.723 1.00 3.30 O ATOM 0 H GLY A 392 0.552 5.324 -1.350 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -1.336 4.447 -3.369 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.673 5.041 -1.755 1.00 3.41 H new ATOM 429 N PRO A 393 -2.731 6.971 -3.151 1.00 3.77 N ATOM 430 CA PRO A 393 -3.195 8.242 -3.698 1.00 4.00 C ATOM 431 C PRO A 393 -2.978 9.408 -2.744 1.00 3.65 C ATOM 432 O PRO A 393 -3.517 10.501 -2.926 1.00 3.97 O ATOM 433 CB PRO A 393 -4.678 7.991 -3.911 1.00 4.78 C ATOM 434 CG PRO A 393 -5.056 7.042 -2.823 1.00 5.05 C ATOM 435 CD PRO A 393 -3.832 6.205 -2.540 1.00 4.39 C ATOM 0 HA PRO A 393 -2.654 8.525 -4.601 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -5.250 8.916 -3.847 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -4.871 7.564 -4.895 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -5.372 7.581 -1.930 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -5.893 6.414 -3.129 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -3.679 6.070 -1.469 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -3.918 5.210 -2.978 1.00 4.39 H new ATOM 443 N VAL A 394 -2.177 9.134 -1.725 1.00 3.51 N ATOM 444 CA VAL A 394 -1.846 10.098 -0.681 1.00 3.72 C ATOM 445 C VAL A 394 -3.110 10.607 0.005 1.00 3.98 C ATOM 446 O VAL A 394 -3.598 11.702 -0.281 1.00 4.76 O ATOM 447 CB VAL A 394 -1.024 11.290 -1.233 1.00 4.22 C ATOM 448 CG1 VAL A 394 -0.565 12.206 -0.104 1.00 4.46 C ATOM 449 CG2 VAL A 394 0.172 10.793 -2.033 1.00 4.69 C ATOM 0 H VAL A 394 -1.732 8.225 -1.597 1.00 3.51 H new ATOM 0 HA VAL A 394 -1.228 9.578 0.051 1.00 3.72 H new ATOM 0 HB VAL A 394 -1.670 11.865 -1.896 1.00 4.22 H new ATOM 0 HG11 VAL A 394 0.010 13.034 -0.518 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -1.435 12.596 0.424 1.00 4.46 H new ATOM 0 HG13 VAL A 394 0.059 11.643 0.590 1.00 4.46 H new ATOM 0 HG21 VAL A 394 0.736 11.645 -2.412 1.00 4.69 H new ATOM 0 HG22 VAL A 394 0.814 10.190 -1.391 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -0.176 10.188 -2.870 1.00 4.69 H new ATOM 459 N THR A 395 -3.655 9.796 0.893 1.00 3.71 N ATOM 460 CA THR A 395 -4.832 10.175 1.650 1.00 4.37 C ATOM 461 C THR A 395 -4.476 11.222 2.699 1.00 4.14 C ATOM 462 O THR A 395 -3.408 11.162 3.311 1.00 4.55 O ATOM 463 CB THR A 395 -5.452 8.940 2.320 1.00 4.99 C ATOM 464 OG1 THR A 395 -4.409 8.025 2.687 1.00 5.13 O ATOM 465 CG2 THR A 395 -6.434 8.251 1.385 1.00 5.72 C ATOM 0 H THR A 395 -3.298 8.865 1.108 1.00 3.71 H new ATOM 0 HA THR A 395 -5.562 10.606 0.965 1.00 4.37 H new ATOM 0 HB THR A 395 -5.994 9.260 3.210 1.00 4.99 H new ATOM 0 HG1 THR A 395 -4.802 7.236 3.116 1.00 5.13 H new ATOM 0 HG21 THR A 395 -6.860 7.379 1.882 1.00 5.72 H new ATOM 0 HG22 THR A 395 -7.233 8.944 1.121 1.00 5.72 H new ATOM 0 HG23 THR A 395 -5.914 7.935 0.480 1.00 5.72 H new ATOM 473 N PHE A 396 -5.356 12.192 2.889 1.00 3.97 N ATOM 474 CA PHE A 396 -5.082 13.287 3.802 1.00 4.15 C ATOM 475 C PHE A 396 -5.170 12.829 5.252 1.00 4.04 C ATOM 476 O PHE A 396 -6.260 12.652 5.801 1.00 4.16 O ATOM 477 CB PHE A 396 -6.040 14.457 3.564 1.00 4.81 C ATOM 478 CG PHE A 396 -5.719 15.661 4.404 1.00 5.16 C ATOM 479 CD1 PHE A 396 -4.737 16.553 4.007 1.00 5.72 C ATOM 480 CD2 PHE A 396 -6.391 15.895 5.595 1.00 5.38 C ATOM 481 CE1 PHE A 396 -4.431 17.657 4.781 1.00 6.40 C ATOM 482 CE2 PHE A 396 -6.088 16.997 6.372 1.00 6.07 C ATOM 483 CZ PHE A 396 -5.106 17.879 5.964 1.00 6.54 C ATOM 0 H PHE A 396 -6.263 12.243 2.424 1.00 3.97 H new ATOM 0 HA PHE A 396 -4.065 13.626 3.607 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -6.008 14.737 2.511 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -7.059 14.134 3.777 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -4.204 16.384 3.083 1.00 5.72 H new ATOM 0 HD2 PHE A 396 -7.159 15.208 5.918 1.00 5.38 H new ATOM 0 HE1 PHE A 396 -3.664 18.346 4.460 1.00 6.40 H new ATOM 0 HE2 PHE A 396 -6.618 17.169 7.297 1.00 6.07 H new ATOM 0 HZ PHE A 396 -4.867 18.741 6.570 1.00 6.54 H new ATOM 493 N VAL A 397 -4.013 12.623 5.852 1.00 4.36 N ATOM 494 CA VAL A 397 -3.919 12.332 7.269 1.00 4.90 C ATOM 495 C VAL A 397 -3.162 13.464 7.969 1.00 5.50 C ATOM 496 O VAL A 397 -2.014 13.754 7.634 1.00 5.82 O ATOM 497 CB VAL A 397 -3.232 10.966 7.525 1.00 5.50 C ATOM 498 CG1 VAL A 397 -1.918 10.857 6.768 1.00 5.77 C ATOM 499 CG2 VAL A 397 -3.017 10.734 9.014 1.00 6.17 C ATOM 0 H VAL A 397 -3.114 12.653 5.372 1.00 4.36 H new ATOM 0 HA VAL A 397 -4.927 12.264 7.679 1.00 4.90 H new ATOM 0 HB VAL A 397 -3.898 10.188 7.152 1.00 5.50 H new ATOM 0 HG11 VAL A 397 -1.462 9.888 6.969 1.00 5.77 H new ATOM 0 HG12 VAL A 397 -2.105 10.955 5.699 1.00 5.77 H new ATOM 0 HG13 VAL A 397 -1.244 11.650 7.093 1.00 5.77 H new ATOM 0 HG21 VAL A 397 -2.534 9.769 9.166 1.00 6.17 H new ATOM 0 HG22 VAL A 397 -2.384 11.524 9.418 1.00 6.17 H new ATOM 0 HG23 VAL A 397 -3.979 10.742 9.526 1.00 6.17 H new ATOM 509 N PRO A 398 -3.824 14.159 8.909 1.00 5.97 N ATOM 510 CA PRO A 398 -3.230 15.300 9.618 1.00 6.86 C ATOM 511 C PRO A 398 -1.949 14.943 10.366 1.00 7.67 C ATOM 512 O PRO A 398 -1.739 13.790 10.754 1.00 8.36 O ATOM 513 CB PRO A 398 -4.320 15.721 10.609 1.00 7.35 C ATOM 514 CG PRO A 398 -5.585 15.175 10.048 1.00 6.95 C ATOM 515 CD PRO A 398 -5.206 13.904 9.346 1.00 6.01 C ATOM 0 HA PRO A 398 -2.936 16.084 8.921 1.00 6.86 H new ATOM 0 HB2 PRO A 398 -4.125 15.320 11.604 1.00 7.35 H new ATOM 0 HB3 PRO A 398 -4.367 16.806 10.706 1.00 7.35 H new ATOM 0 HG2 PRO A 398 -6.312 14.984 10.837 1.00 6.95 H new ATOM 0 HG3 PRO A 398 -6.043 15.882 9.356 1.00 6.95 H new ATOM 0 HD2 PRO A 398 -5.265 13.043 10.012 1.00 6.01 H new ATOM 0 HD3 PRO A 398 -5.864 13.699 8.501 1.00 6.01 H new ATOM 523 N ASP A 399 -1.101 15.954 10.550 1.00 7.83 N ATOM 524 CA ASP A 399 0.163 15.818 11.274 1.00 8.78 C ATOM 525 C ASP A 399 1.116 14.864 10.558 1.00 9.15 C ATOM 526 O ASP A 399 1.616 13.901 11.150 1.00 9.38 O ATOM 527 CB ASP A 399 -0.063 15.348 12.718 1.00 9.18 C ATOM 528 CG ASP A 399 -0.884 16.320 13.537 1.00 9.69 C ATOM 529 OD1 ASP A 399 -0.358 17.398 13.892 1.00 10.47 O ATOM 530 OD2 ASP A 399 -2.064 16.024 13.820 1.00 9.49 O ATOM 0 H ASP A 399 -1.272 16.896 10.199 1.00 7.83 H new ATOM 0 HA ASP A 399 0.620 16.807 11.302 1.00 8.78 H new ATOM 0 HB2 ASP A 399 -0.564 14.380 12.704 1.00 9.18 H new ATOM 0 HB3 ASP A 399 0.903 15.200 13.201 1.00 9.18 H new ATOM 535 N THR A 400 1.361 15.127 9.283 1.00 9.46 N ATOM 536 CA THR A 400 2.319 14.349 8.517 1.00 10.09 C ATOM 537 C THR A 400 3.284 15.264 7.762 1.00 10.99 C ATOM 538 O THR A 400 2.910 15.899 6.773 1.00 11.20 O ATOM 539 CB THR A 400 1.619 13.400 7.523 1.00 10.16 C ATOM 540 OG1 THR A 400 0.519 14.065 6.887 1.00 9.95 O ATOM 541 CG2 THR A 400 1.129 12.143 8.228 1.00 10.17 C ATOM 0 H THR A 400 0.908 15.875 8.758 1.00 9.46 H new ATOM 0 HA THR A 400 2.881 13.745 9.229 1.00 10.09 H new ATOM 0 HB THR A 400 2.345 13.110 6.763 1.00 10.16 H new ATOM 0 HG1 THR A 400 -0.280 13.986 7.449 1.00 9.95 H new ATOM 0 HG21 THR A 400 0.639 11.489 7.507 1.00 10.17 H new ATOM 0 HG22 THR A 400 1.976 11.622 8.673 1.00 10.17 H new ATOM 0 HG23 THR A 400 0.420 12.417 9.010 1.00 10.17 H new ATOM 549 N PRO A 401 4.540 15.358 8.231 1.00 11.70 N ATOM 550 CA PRO A 401 5.578 16.163 7.581 1.00 12.73 C ATOM 551 C PRO A 401 6.095 15.517 6.295 1.00 13.37 C ATOM 552 O PRO A 401 7.303 15.429 6.068 1.00 13.87 O ATOM 553 CB PRO A 401 6.704 16.236 8.628 1.00 13.30 C ATOM 554 CG PRO A 401 6.140 15.641 9.879 1.00 12.82 C ATOM 555 CD PRO A 401 5.047 14.710 9.445 1.00 11.73 C ATOM 0 HA PRO A 401 5.196 17.139 7.282 1.00 12.73 H new ATOM 0 HB2 PRO A 401 7.583 15.684 8.295 1.00 13.30 H new ATOM 0 HB3 PRO A 401 7.018 17.267 8.793 1.00 13.30 H new ATOM 0 HG2 PRO A 401 6.909 15.106 10.436 1.00 12.82 H new ATOM 0 HG3 PRO A 401 5.751 16.417 10.538 1.00 12.82 H new ATOM 0 HD2 PRO A 401 5.425 13.708 9.242 1.00 11.73 H new ATOM 0 HD3 PRO A 401 4.273 14.611 10.206 1.00 11.73 H new ATOM 563 N ILE A 402 5.170 15.064 5.461 1.00 13.49 N ATOM 564 CA ILE A 402 5.509 14.430 4.197 1.00 14.27 C ATOM 565 C ILE A 402 5.775 15.483 3.124 1.00 14.82 C ATOM 566 O ILE A 402 6.931 15.587 2.665 1.00 15.17 O ATOM 567 CB ILE A 402 4.400 13.448 3.733 1.00 14.27 C ATOM 568 CG1 ILE A 402 4.659 12.977 2.295 1.00 14.67 C ATOM 569 CG2 ILE A 402 3.017 14.078 3.864 1.00 14.20 C ATOM 570 CD1 ILE A 402 3.643 11.976 1.787 1.00 15.06 C ATOM 571 OXT ILE A 402 4.841 16.229 2.772 1.00 15.02 O ATOM 0 H ILE A 402 4.168 15.126 5.641 1.00 13.49 H new ATOM 0 HA ILE A 402 6.419 13.850 4.353 1.00 14.27 H new ATOM 0 HB ILE A 402 4.428 12.575 4.385 1.00 14.27 H new ATOM 0 HG12 ILE A 402 4.663 13.844 1.634 1.00 14.67 H new ATOM 0 HG13 ILE A 402 5.652 12.531 2.242 1.00 14.67 H new ATOM 0 HG21 ILE A 402 2.260 13.367 3.532 1.00 14.20 H new ATOM 0 HG22 ILE A 402 2.835 14.342 4.906 1.00 14.20 H new ATOM 0 HG23 ILE A 402 2.966 14.976 3.248 1.00 14.20 H new ATOM 0 HD11 ILE A 402 3.893 11.691 0.765 1.00 15.06 H new ATOM 0 HD12 ILE A 402 3.654 11.091 2.424 1.00 15.06 H new ATOM 0 HD13 ILE A 402 2.650 12.424 1.806 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 3.914 1.242 -0.692 1.00 1.27 ZN