USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=11 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 180:sc= -0.101 USER MOD Single : A 366 LYS NZ :NH3+ -171:sc=-0.00933 (180deg=-0.105) USER MOD Single : A 368 ASN :FLIP amide:sc= -0.142 F(o=-0.86,f=-0.14) USER MOD Single : A 369 MET CE :methyl -158:sc= -0.193 (180deg=-0.872) USER MOD Single : A 371 THR OG1 : rot -47:sc= 1.02 USER MOD Single : A 374 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 TYR OH : rot -169:sc= 0.351 USER MOD Single : A 386 SER OG : rot 180:sc= 0.344 USER MOD Single : A 395 THR OG1 : rot 180:sc= -0.081 USER MOD Single : A 400 THR OG1 : rot 44:sc= 0.0929 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 -11.216 -4.755 -1.569 1.00 10.97 N ATOM 2 CA GLY A 364 -11.921 -4.983 -2.850 1.00 10.49 C ATOM 3 C GLY A 364 -13.074 -5.946 -2.680 1.00 9.66 C ATOM 4 O GLY A 364 -14.064 -5.627 -2.021 1.00 9.60 O ATOM 0 HA2 GLY A 364 -12.291 -4.034 -3.237 1.00 10.49 H new ATOM 0 HA3 GLY A 364 -11.221 -5.377 -3.587 1.00 10.49 H new ATOM 10 N SER A 365 -12.951 -7.126 -3.268 1.00 9.23 N ATOM 11 CA SER A 365 -13.964 -8.162 -3.125 1.00 8.58 C ATOM 12 C SER A 365 -13.350 -9.547 -3.307 1.00 8.19 C ATOM 13 O SER A 365 -14.023 -10.488 -3.728 1.00 8.25 O ATOM 14 CB SER A 365 -15.100 -7.941 -4.129 1.00 8.72 C ATOM 15 OG SER A 365 -15.750 -6.700 -3.890 1.00 9.06 O ATOM 0 H SER A 365 -12.157 -7.391 -3.851 1.00 9.23 H new ATOM 0 HA SER A 365 -14.376 -8.102 -2.118 1.00 8.58 H new ATOM 0 HB2 SER A 365 -14.703 -7.959 -5.144 1.00 8.72 H new ATOM 0 HB3 SER A 365 -15.821 -8.755 -4.054 1.00 8.72 H new ATOM 0 HG SER A 365 -16.471 -6.577 -4.542 1.00 9.06 H new ATOM 21 N LYS A 366 -12.066 -9.665 -2.987 1.00 8.06 N ATOM 22 CA LYS A 366 -11.363 -10.938 -3.097 1.00 8.04 C ATOM 23 C LYS A 366 -10.533 -11.195 -1.841 1.00 7.21 C ATOM 24 O LYS A 366 -9.527 -11.905 -1.871 1.00 7.19 O ATOM 25 CB LYS A 366 -10.463 -10.946 -4.338 1.00 9.14 C ATOM 26 CG LYS A 366 -11.229 -10.778 -5.643 1.00 9.84 C ATOM 27 CD LYS A 366 -10.297 -10.708 -6.840 1.00 10.55 C ATOM 28 CE LYS A 366 -11.067 -10.489 -8.133 1.00 11.43 C ATOM 29 NZ LYS A 366 -11.965 -11.633 -8.453 1.00 12.01 N ATOM 0 H LYS A 366 -11.490 -8.894 -2.649 1.00 8.06 H new ATOM 0 HA LYS A 366 -12.101 -11.734 -3.197 1.00 8.04 H new ATOM 0 HB2 LYS A 366 -9.729 -10.145 -4.250 1.00 9.14 H new ATOM 0 HB3 LYS A 366 -9.908 -11.884 -4.369 1.00 9.14 H new ATOM 0 HG2 LYS A 366 -11.920 -11.612 -5.769 1.00 9.84 H new ATOM 0 HG3 LYS A 366 -11.830 -9.870 -5.597 1.00 9.84 H new ATOM 0 HD2 LYS A 366 -9.582 -9.897 -6.699 1.00 10.55 H new ATOM 0 HD3 LYS A 366 -9.722 -11.631 -6.909 1.00 10.55 H new ATOM 0 HE2 LYS A 366 -11.658 -9.577 -8.052 1.00 11.43 H new ATOM 0 HE3 LYS A 366 -10.364 -10.341 -8.952 1.00 11.43 H new ATOM 0 HZ1 LYS A 366 -12.352 -11.513 -9.411 1.00 12.01 H new ATOM 0 HZ2 LYS A 366 -11.426 -12.521 -8.406 1.00 12.01 H new ATOM 0 HZ3 LYS A 366 -12.745 -11.665 -7.766 1.00 12.01 H new ATOM 43 N GLU A 367 -10.971 -10.610 -0.735 1.00 6.82 N ATOM 44 CA GLU A 367 -10.264 -10.729 0.531 1.00 6.33 C ATOM 45 C GLU A 367 -11.042 -11.622 1.492 1.00 5.49 C ATOM 46 O GLU A 367 -11.884 -11.148 2.254 1.00 5.33 O ATOM 47 CB GLU A 367 -10.045 -9.351 1.174 1.00 6.67 C ATOM 48 CG GLU A 367 -9.099 -8.425 0.416 1.00 7.76 C ATOM 49 CD GLU A 367 -9.654 -7.953 -0.913 1.00 8.29 C ATOM 50 OE1 GLU A 367 -10.751 -7.357 -0.929 1.00 8.52 O ATOM 51 OE2 GLU A 367 -8.990 -8.166 -1.949 1.00 8.69 O ATOM 0 H GLU A 367 -11.819 -10.045 -0.690 1.00 6.82 H new ATOM 0 HA GLU A 367 -9.291 -11.177 0.328 1.00 6.33 H new ATOM 0 HB2 GLU A 367 -11.011 -8.856 1.273 1.00 6.67 H new ATOM 0 HB3 GLU A 367 -9.656 -9.496 2.182 1.00 6.67 H new ATOM 0 HG2 GLU A 367 -8.877 -7.557 1.037 1.00 7.76 H new ATOM 0 HG3 GLU A 367 -8.156 -8.943 0.244 1.00 7.76 H new ATOM 58 N ASN A 368 -10.772 -12.917 1.444 1.00 5.31 N ATOM 59 CA ASN A 368 -11.403 -13.857 2.363 1.00 4.94 C ATOM 60 C ASN A 368 -10.359 -14.496 3.260 1.00 4.43 C ATOM 61 O ASN A 368 -9.215 -14.685 2.845 1.00 4.57 O ATOM 62 CB ASN A 368 -12.189 -14.930 1.606 1.00 5.52 C ATOM 63 CG ASN A 368 -13.684 -14.657 1.600 1.00 5.70 C ATOM 64 OD1 ASN A 368 -14.063 -13.389 1.660 1.00 5.80 O flip ATOM 65 ND2 ASN A 368 -14.494 -15.582 1.547 1.00 6.18 N flip ATOM 0 H ASN A 368 -10.123 -13.342 0.782 1.00 5.31 H new ATOM 0 HA ASN A 368 -12.108 -13.303 2.983 1.00 4.94 H new ATOM 0 HB2 ASN A 368 -11.828 -14.984 0.579 1.00 5.52 H new ATOM 0 HB3 ASN A 368 -12.002 -15.903 2.061 1.00 5.52 H new ATOM 0 HD21 ASN A 368 -14.165 -16.546 1.502 1.00 6.18 H new ATOM 0 HD22 ASN A 368 -15.495 -15.384 1.548 1.00 6.18 H new ATOM 72 N MET A 369 -10.768 -14.819 4.486 1.00 4.24 N ATOM 73 CA MET A 369 -9.875 -15.358 5.515 1.00 4.21 C ATOM 74 C MET A 369 -8.837 -14.318 5.923 1.00 3.73 C ATOM 75 O MET A 369 -9.007 -13.621 6.925 1.00 3.81 O ATOM 76 CB MET A 369 -9.187 -16.644 5.047 1.00 4.95 C ATOM 77 CG MET A 369 -10.151 -17.777 4.744 1.00 5.74 C ATOM 78 SD MET A 369 -9.310 -19.260 4.158 1.00 6.64 S ATOM 79 CE MET A 369 -8.508 -18.631 2.684 1.00 6.99 C ATOM 0 H MET A 369 -11.734 -14.714 4.797 1.00 4.24 H new ATOM 0 HA MET A 369 -10.486 -15.605 6.384 1.00 4.21 H new ATOM 0 HB2 MET A 369 -8.602 -16.428 4.153 1.00 4.95 H new ATOM 0 HB3 MET A 369 -8.486 -16.971 5.815 1.00 4.95 H new ATOM 0 HG2 MET A 369 -10.719 -18.017 5.643 1.00 5.74 H new ATOM 0 HG3 MET A 369 -10.868 -17.448 3.992 1.00 5.74 H new ATOM 0 HE1 MET A 369 -8.284 -19.458 2.011 1.00 6.99 H new ATOM 0 HE2 MET A 369 -9.170 -17.924 2.183 1.00 6.99 H new ATOM 0 HE3 MET A 369 -7.582 -18.127 2.961 1.00 6.99 H new ATOM 89 N ALA A 370 -7.778 -14.195 5.133 1.00 3.73 N ATOM 90 CA ALA A 370 -6.752 -13.199 5.383 1.00 3.72 C ATOM 91 C ALA A 370 -7.191 -11.848 4.835 1.00 2.82 C ATOM 92 O ALA A 370 -6.682 -11.373 3.819 1.00 3.04 O ATOM 93 CB ALA A 370 -5.430 -13.627 4.763 1.00 4.68 C ATOM 0 H ALA A 370 -7.610 -14.776 4.312 1.00 3.73 H new ATOM 0 HA ALA A 370 -6.607 -13.107 6.459 1.00 3.72 H new ATOM 0 HB1 ALA A 370 -4.673 -12.868 4.961 1.00 4.68 H new ATOM 0 HB2 ALA A 370 -5.115 -14.576 5.197 1.00 4.68 H new ATOM 0 HB3 ALA A 370 -5.554 -13.744 3.686 1.00 4.68 H new ATOM 99 N THR A 371 -8.148 -11.237 5.513 1.00 2.51 N ATOM 100 CA THR A 371 -8.686 -9.955 5.098 1.00 2.38 C ATOM 101 C THR A 371 -8.321 -8.875 6.117 1.00 2.34 C ATOM 102 O THR A 371 -9.037 -7.887 6.294 1.00 2.92 O ATOM 103 CB THR A 371 -10.219 -10.038 4.906 1.00 3.20 C ATOM 104 OG1 THR A 371 -10.752 -8.769 4.503 1.00 3.73 O ATOM 105 CG2 THR A 371 -10.908 -10.506 6.178 1.00 3.91 C ATOM 0 H THR A 371 -8.571 -11.614 6.361 1.00 2.51 H new ATOM 0 HA THR A 371 -8.244 -9.687 4.138 1.00 2.38 H new ATOM 0 HB THR A 371 -10.411 -10.768 4.119 1.00 3.20 H new ATOM 0 HG1 THR A 371 -10.385 -8.063 5.076 1.00 3.73 H new ATOM 0 HG21 THR A 371 -11.984 -10.554 6.012 1.00 3.91 H new ATOM 0 HG22 THR A 371 -10.538 -11.495 6.450 1.00 3.91 H new ATOM 0 HG23 THR A 371 -10.697 -9.805 6.985 1.00 3.91 H new ATOM 113 N LEU A 372 -7.197 -9.079 6.792 1.00 2.45 N ATOM 114 CA LEU A 372 -6.690 -8.101 7.740 1.00 3.23 C ATOM 115 C LEU A 372 -6.156 -6.894 6.985 1.00 3.17 C ATOM 116 O LEU A 372 -6.272 -5.752 7.432 1.00 3.84 O ATOM 117 CB LEU A 372 -5.585 -8.718 8.603 1.00 4.21 C ATOM 118 CG LEU A 372 -5.075 -7.832 9.742 1.00 5.23 C ATOM 119 CD1 LEU A 372 -6.181 -7.575 10.753 1.00 5.79 C ATOM 120 CD2 LEU A 372 -3.874 -8.475 10.416 1.00 5.95 C ATOM 0 H LEU A 372 -6.620 -9.915 6.699 1.00 2.45 H new ATOM 0 HA LEU A 372 -7.501 -7.785 8.396 1.00 3.23 H new ATOM 0 HB2 LEU A 372 -5.956 -9.650 9.028 1.00 4.21 H new ATOM 0 HB3 LEU A 372 -4.744 -8.974 7.959 1.00 4.21 H new ATOM 0 HG LEU A 372 -4.764 -6.875 9.323 1.00 5.23 H new ATOM 0 HD11 LEU A 372 -5.801 -6.943 11.556 1.00 5.79 H new ATOM 0 HD12 LEU A 372 -7.014 -7.074 10.261 1.00 5.79 H new ATOM 0 HD13 LEU A 372 -6.522 -8.523 11.168 1.00 5.79 H new ATOM 0 HD21 LEU A 372 -3.523 -7.833 11.224 1.00 5.95 H new ATOM 0 HD22 LEU A 372 -4.161 -9.445 10.822 1.00 5.95 H new ATOM 0 HD23 LEU A 372 -3.076 -8.609 9.686 1.00 5.95 H new ATOM 132 N PHE A 373 -5.582 -7.160 5.825 1.00 2.73 N ATOM 133 CA PHE A 373 -5.073 -6.114 4.961 1.00 2.88 C ATOM 134 C PHE A 373 -5.830 -6.127 3.637 1.00 3.00 C ATOM 135 O PHE A 373 -6.147 -7.192 3.104 1.00 3.30 O ATOM 136 CB PHE A 373 -3.578 -6.306 4.724 1.00 3.13 C ATOM 137 CG PHE A 373 -2.752 -6.273 5.979 1.00 3.28 C ATOM 138 CD1 PHE A 373 -2.517 -5.077 6.635 1.00 3.36 C ATOM 139 CD2 PHE A 373 -2.204 -7.437 6.495 1.00 3.81 C ATOM 140 CE1 PHE A 373 -1.752 -5.040 7.784 1.00 3.64 C ATOM 141 CE2 PHE A 373 -1.440 -7.406 7.645 1.00 4.26 C ATOM 142 CZ PHE A 373 -1.213 -6.205 8.290 1.00 4.05 C ATOM 0 H PHE A 373 -5.457 -8.103 5.458 1.00 2.73 H new ATOM 0 HA PHE A 373 -5.222 -5.148 5.443 1.00 2.88 H new ATOM 0 HB2 PHE A 373 -3.420 -7.260 4.222 1.00 3.13 H new ATOM 0 HB3 PHE A 373 -3.225 -5.528 4.048 1.00 3.13 H new ATOM 0 HD1 PHE A 373 -2.937 -4.162 6.244 1.00 3.36 H new ATOM 0 HD2 PHE A 373 -2.376 -8.377 5.993 1.00 3.81 H new ATOM 0 HE1 PHE A 373 -1.576 -4.100 8.286 1.00 3.64 H new ATOM 0 HE2 PHE A 373 -1.020 -8.319 8.040 1.00 4.26 H new ATOM 0 HZ PHE A 373 -0.615 -6.178 9.189 1.00 4.05 H new ATOM 152 N THR A 374 -6.112 -4.948 3.110 1.00 3.03 N ATOM 153 CA THR A 374 -6.981 -4.816 1.948 1.00 3.49 C ATOM 154 C THR A 374 -6.194 -4.609 0.658 1.00 3.30 C ATOM 155 O THR A 374 -6.547 -5.149 -0.387 1.00 3.66 O ATOM 156 CB THR A 374 -7.957 -3.635 2.133 1.00 3.95 C ATOM 157 OG1 THR A 374 -8.770 -3.442 0.966 1.00 3.66 O ATOM 158 CG2 THR A 374 -7.197 -2.360 2.457 1.00 4.50 C ATOM 0 H THR A 374 -5.751 -4.064 3.468 1.00 3.03 H new ATOM 0 HA THR A 374 -7.535 -5.751 1.865 1.00 3.49 H new ATOM 0 HB THR A 374 -8.614 -3.877 2.968 1.00 3.95 H new ATOM 0 HG1 THR A 374 -9.379 -2.689 1.113 1.00 3.66 H new ATOM 0 HG21 THR A 374 -7.902 -1.538 2.584 1.00 4.50 H new ATOM 0 HG22 THR A 374 -6.631 -2.498 3.378 1.00 4.50 H new ATOM 0 HG23 THR A 374 -6.512 -2.128 1.642 1.00 4.50 H new ATOM 166 N ILE A 375 -5.138 -3.820 0.733 1.00 2.90 N ATOM 167 CA ILE A 375 -4.431 -3.401 -0.461 1.00 2.78 C ATOM 168 C ILE A 375 -2.954 -3.739 -0.351 1.00 2.33 C ATOM 169 O ILE A 375 -2.223 -3.144 0.444 1.00 1.93 O ATOM 170 CB ILE A 375 -4.618 -1.887 -0.710 1.00 2.85 C ATOM 171 CG1 ILE A 375 -6.110 -1.566 -0.879 1.00 3.47 C ATOM 172 CG2 ILE A 375 -3.835 -1.445 -1.939 1.00 2.84 C ATOM 173 CD1 ILE A 375 -6.415 -0.084 -0.954 1.00 3.98 C ATOM 0 H ILE A 375 -4.753 -3.458 1.605 1.00 2.90 H new ATOM 0 HA ILE A 375 -4.851 -3.941 -1.310 1.00 2.78 H new ATOM 0 HB ILE A 375 -4.235 -1.340 0.151 1.00 2.85 H new ATOM 0 HG12 ILE A 375 -6.475 -2.048 -1.786 1.00 3.47 H new ATOM 0 HG13 ILE A 375 -6.661 -1.999 -0.044 1.00 3.47 H new ATOM 0 HG21 ILE A 375 -3.980 -0.376 -2.098 1.00 2.84 H new ATOM 0 HG22 ILE A 375 -2.775 -1.649 -1.788 1.00 2.84 H new ATOM 0 HG23 ILE A 375 -4.189 -1.993 -2.812 1.00 2.84 H new ATOM 0 HD11 ILE A 375 -7.489 0.061 -1.073 1.00 3.98 H new ATOM 0 HD12 ILE A 375 -6.083 0.403 -0.037 1.00 3.98 H new ATOM 0 HD13 ILE A 375 -5.893 0.352 -1.806 1.00 3.98 H new ATOM 185 N TRP A 376 -2.535 -4.714 -1.140 1.00 2.60 N ATOM 186 CA TRP A 376 -1.160 -5.170 -1.126 1.00 2.50 C ATOM 187 C TRP A 376 -0.290 -4.248 -1.960 1.00 2.39 C ATOM 188 O TRP A 376 -0.359 -4.257 -3.192 1.00 2.84 O ATOM 189 CB TRP A 376 -1.070 -6.603 -1.659 1.00 3.11 C ATOM 190 CG TRP A 376 0.288 -7.216 -1.487 1.00 3.27 C ATOM 191 CD1 TRP A 376 1.330 -7.173 -2.369 1.00 3.53 C ATOM 192 CD2 TRP A 376 0.748 -7.966 -0.359 1.00 3.38 C ATOM 193 NE1 TRP A 376 2.412 -7.843 -1.853 1.00 3.79 N ATOM 194 CE2 TRP A 376 2.077 -8.341 -0.622 1.00 3.72 C ATOM 195 CE3 TRP A 376 0.163 -8.353 0.850 1.00 3.35 C ATOM 196 CZ2 TRP A 376 2.833 -9.084 0.279 1.00 4.05 C ATOM 197 CZ3 TRP A 376 0.916 -9.093 1.743 1.00 3.67 C ATOM 198 CH2 TRP A 376 2.238 -9.451 1.453 1.00 4.01 C ATOM 0 H TRP A 376 -3.134 -5.207 -1.802 1.00 2.60 H new ATOM 0 HA TRP A 376 -0.800 -5.155 -0.097 1.00 2.50 H new ATOM 0 HB2 TRP A 376 -1.807 -7.221 -1.146 1.00 3.11 H new ATOM 0 HB3 TRP A 376 -1.331 -6.607 -2.717 1.00 3.11 H new ATOM 0 HD1 TRP A 376 1.306 -6.684 -3.331 1.00 3.53 H new ATOM 0 HE1 TRP A 376 3.317 -7.952 -2.311 1.00 3.79 H new ATOM 0 HE3 TRP A 376 -0.856 -8.080 1.082 1.00 3.35 H new ATOM 0 HZ2 TRP A 376 3.853 -9.361 0.058 1.00 4.05 H new ATOM 0 HZ3 TRP A 376 0.477 -9.400 2.681 1.00 3.67 H new ATOM 0 HH2 TRP A 376 2.799 -10.029 2.172 1.00 4.01 H new ATOM 209 N CYS A 377 0.519 -3.440 -1.297 1.00 1.89 N ATOM 210 CA CYS A 377 1.456 -2.595 -1.999 1.00 1.87 C ATOM 211 C CYS A 377 2.696 -3.403 -2.342 1.00 2.35 C ATOM 212 O CYS A 377 3.547 -3.640 -1.485 1.00 2.34 O ATOM 213 CB CYS A 377 1.847 -1.360 -1.180 1.00 1.27 C ATOM 214 SG CYS A 377 2.895 -0.237 -2.126 1.00 1.50 S ATOM 0 H CYS A 377 0.543 -3.355 -0.281 1.00 1.89 H new ATOM 0 HA CYS A 377 0.973 -2.239 -2.909 1.00 1.87 H new ATOM 0 HB2 CYS A 377 0.947 -0.835 -0.860 1.00 1.27 H new ATOM 0 HB3 CYS A 377 2.371 -1.673 -0.277 1.00 1.27 H new ATOM 219 N THR A 378 2.789 -3.834 -3.593 1.00 2.94 N ATOM 220 CA THR A 378 3.926 -4.617 -4.050 1.00 3.52 C ATOM 221 C THR A 378 5.219 -3.819 -3.919 1.00 3.48 C ATOM 222 O THR A 378 6.277 -4.381 -3.652 1.00 3.86 O ATOM 223 CB THR A 378 3.737 -5.068 -5.509 1.00 4.16 C ATOM 224 OG1 THR A 378 3.417 -3.938 -6.329 1.00 4.33 O ATOM 225 CG2 THR A 378 2.631 -6.108 -5.617 1.00 4.41 C ATOM 0 H THR A 378 2.087 -3.653 -4.311 1.00 2.94 H new ATOM 0 HA THR A 378 3.992 -5.503 -3.418 1.00 3.52 H new ATOM 0 HB THR A 378 4.669 -5.517 -5.852 1.00 4.16 H new ATOM 0 HG1 THR A 378 3.299 -4.230 -7.257 1.00 4.33 H new ATOM 0 HG21 THR A 378 2.517 -6.411 -6.658 1.00 4.41 H new ATOM 0 HG22 THR A 378 2.889 -6.977 -5.012 1.00 4.41 H new ATOM 0 HG23 THR A 378 1.694 -5.682 -5.258 1.00 4.41 H new ATOM 233 N LEU A 379 5.115 -2.500 -4.074 1.00 3.11 N ATOM 234 CA LEU A 379 6.251 -1.609 -3.921 1.00 3.12 C ATOM 235 C LEU A 379 6.785 -1.642 -2.493 1.00 2.90 C ATOM 236 O LEU A 379 7.935 -1.291 -2.239 1.00 3.23 O ATOM 237 CB LEU A 379 5.841 -0.182 -4.270 1.00 2.85 C ATOM 238 CG LEU A 379 5.238 0.027 -5.662 1.00 3.33 C ATOM 239 CD1 LEU A 379 5.988 -0.770 -6.712 1.00 3.73 C ATOM 240 CD2 LEU A 379 3.750 -0.295 -5.697 1.00 3.32 C ATOM 0 H LEU A 379 4.243 -2.026 -4.308 1.00 3.11 H new ATOM 0 HA LEU A 379 7.037 -1.946 -4.596 1.00 3.12 H new ATOM 0 HB2 LEU A 379 5.118 0.158 -3.529 1.00 2.85 H new ATOM 0 HB3 LEU A 379 6.718 0.459 -4.177 1.00 2.85 H new ATOM 0 HG LEU A 379 5.346 1.086 -5.897 1.00 3.33 H new ATOM 0 HD11 LEU A 379 5.536 -0.600 -7.689 1.00 3.73 H new ATOM 0 HD12 LEU A 379 7.030 -0.452 -6.734 1.00 3.73 H new ATOM 0 HD13 LEU A 379 5.938 -1.831 -6.468 1.00 3.73 H new ATOM 0 HD21 LEU A 379 3.366 -0.132 -6.704 1.00 3.32 H new ATOM 0 HD22 LEU A 379 3.596 -1.336 -5.414 1.00 3.32 H new ATOM 0 HD23 LEU A 379 3.221 0.353 -4.998 1.00 3.32 H new ATOM 252 N CYS A 380 5.933 -2.056 -1.565 1.00 2.49 N ATOM 253 CA CYS A 380 6.300 -2.122 -0.160 1.00 2.51 C ATOM 254 C CYS A 380 6.383 -3.566 0.329 1.00 2.94 C ATOM 255 O CYS A 380 6.712 -3.822 1.489 1.00 3.19 O ATOM 256 CB CYS A 380 5.295 -1.328 0.678 1.00 1.96 C ATOM 257 SG CYS A 380 5.504 0.462 0.560 1.00 1.82 S ATOM 0 H CYS A 380 4.977 -2.353 -1.763 1.00 2.49 H new ATOM 0 HA CYS A 380 7.290 -1.680 -0.046 1.00 2.51 H new ATOM 0 HB2 CYS A 380 4.285 -1.589 0.361 1.00 1.96 H new ATOM 0 HB3 CYS A 380 5.389 -1.628 1.722 1.00 1.96 H new ATOM 262 N ASP A 381 6.078 -4.503 -0.576 1.00 3.16 N ATOM 263 CA ASP A 381 6.111 -5.941 -0.283 1.00 3.64 C ATOM 264 C ASP A 381 5.219 -6.279 0.914 1.00 3.40 C ATOM 265 O ASP A 381 5.480 -7.214 1.669 1.00 3.81 O ATOM 266 CB ASP A 381 7.559 -6.400 -0.050 1.00 4.29 C ATOM 267 CG ASP A 381 7.696 -7.907 0.068 1.00 4.85 C ATOM 268 OD1 ASP A 381 7.352 -8.622 -0.898 1.00 5.79 O ATOM 269 OD2 ASP A 381 8.153 -8.386 1.127 1.00 4.47 O ATOM 0 H ASP A 381 5.801 -4.286 -1.533 1.00 3.16 H new ATOM 0 HA ASP A 381 5.716 -6.481 -1.144 1.00 3.64 H new ATOM 0 HB2 ASP A 381 8.182 -6.048 -0.872 1.00 4.29 H new ATOM 0 HB3 ASP A 381 7.939 -5.935 0.859 1.00 4.29 H new ATOM 274 N ARG A 382 4.148 -5.516 1.074 1.00 2.80 N ATOM 275 CA ARG A 382 3.233 -5.710 2.186 1.00 2.63 C ATOM 276 C ARG A 382 1.918 -5.014 1.894 1.00 2.07 C ATOM 277 O ARG A 382 1.855 -4.117 1.049 1.00 1.71 O ATOM 278 CB ARG A 382 3.824 -5.145 3.479 1.00 2.81 C ATOM 279 CG ARG A 382 3.938 -3.629 3.480 1.00 2.50 C ATOM 280 CD ARG A 382 4.422 -3.104 4.817 1.00 2.97 C ATOM 281 NE ARG A 382 3.504 -3.442 5.903 1.00 3.24 N ATOM 282 CZ ARG A 382 3.450 -2.792 7.062 1.00 3.71 C ATOM 283 NH1 ARG A 382 4.233 -1.744 7.278 1.00 3.88 N ATOM 284 NH2 ARG A 382 2.609 -3.194 8.002 1.00 4.27 N ATOM 0 H ARG A 382 3.892 -4.755 0.445 1.00 2.80 H new ATOM 0 HA ARG A 382 3.068 -6.780 2.311 1.00 2.63 H new ATOM 0 HB2 ARG A 382 3.203 -5.456 4.319 1.00 2.81 H new ATOM 0 HB3 ARG A 382 4.813 -5.576 3.636 1.00 2.81 H new ATOM 0 HG2 ARG A 382 4.626 -3.315 2.695 1.00 2.50 H new ATOM 0 HG3 ARG A 382 2.968 -3.191 3.247 1.00 2.50 H new ATOM 0 HD2 ARG A 382 5.407 -3.517 5.033 1.00 2.97 H new ATOM 0 HD3 ARG A 382 4.535 -2.021 4.762 1.00 2.97 H new ATOM 0 HE ARG A 382 2.865 -4.225 5.763 1.00 3.24 H new ATOM 0 HH11 ARG A 382 4.880 -1.433 6.554 1.00 3.88 H new ATOM 0 HH12 ARG A 382 4.188 -1.249 8.169 1.00 3.88 H new ATOM 0 HH21 ARG A 382 2.006 -3.999 7.836 1.00 4.27 H new ATOM 0 HH22 ARG A 382 2.564 -2.698 8.892 1.00 4.27 H new ATOM 298 N ALA A 383 0.876 -5.418 2.589 1.00 2.12 N ATOM 299 CA ALA A 383 -0.420 -4.789 2.436 1.00 1.86 C ATOM 300 C ALA A 383 -0.727 -3.915 3.633 1.00 1.87 C ATOM 301 O ALA A 383 -0.087 -4.020 4.681 1.00 2.20 O ATOM 302 CB ALA A 383 -1.502 -5.834 2.247 1.00 2.24 C ATOM 0 H ALA A 383 0.900 -6.180 3.266 1.00 2.12 H new ATOM 0 HA ALA A 383 -0.395 -4.160 1.546 1.00 1.86 H new ATOM 0 HB1 ALA A 383 -2.468 -5.341 2.134 1.00 2.24 H new ATOM 0 HB2 ALA A 383 -1.288 -6.422 1.355 1.00 2.24 H new ATOM 0 HB3 ALA A 383 -1.529 -6.491 3.116 1.00 2.24 H new ATOM 308 N TYR A 384 -1.703 -3.044 3.466 1.00 1.86 N ATOM 309 CA TYR A 384 -2.110 -2.133 4.517 1.00 2.28 C ATOM 310 C TYR A 384 -3.612 -2.261 4.744 1.00 2.69 C ATOM 311 O TYR A 384 -4.332 -2.769 3.879 1.00 2.63 O ATOM 312 CB TYR A 384 -1.753 -0.693 4.127 1.00 2.27 C ATOM 313 CG TYR A 384 -0.268 -0.445 3.966 1.00 2.04 C ATOM 314 CD1 TYR A 384 0.510 -0.045 5.045 1.00 2.37 C ATOM 315 CD2 TYR A 384 0.354 -0.601 2.732 1.00 2.15 C ATOM 316 CE1 TYR A 384 1.864 0.196 4.900 1.00 2.31 C ATOM 317 CE2 TYR A 384 1.707 -0.367 2.581 1.00 2.34 C ATOM 318 CZ TYR A 384 2.456 0.033 3.665 1.00 2.17 C ATOM 319 OH TYR A 384 3.800 0.277 3.511 1.00 2.46 O ATOM 0 H TYR A 384 -2.234 -2.948 2.601 1.00 1.86 H new ATOM 0 HA TYR A 384 -1.586 -2.384 5.439 1.00 2.28 H new ATOM 0 HB2 TYR A 384 -2.255 -0.447 3.191 1.00 2.27 H new ATOM 0 HB3 TYR A 384 -2.143 -0.015 4.886 1.00 2.27 H new ATOM 0 HD1 TYR A 384 0.050 0.080 6.014 1.00 2.37 H new ATOM 0 HD2 TYR A 384 -0.230 -0.910 1.878 1.00 2.15 H new ATOM 0 HE1 TYR A 384 2.454 0.510 5.748 1.00 2.31 H new ATOM 0 HE2 TYR A 384 2.175 -0.497 1.617 1.00 2.34 H new ATOM 0 HH TYR A 384 4.023 0.291 2.557 1.00 2.46 H new ATOM 329 N PRO A 385 -4.108 -1.826 5.921 1.00 3.25 N ATOM 330 CA PRO A 385 -5.548 -1.797 6.218 1.00 3.72 C ATOM 331 C PRO A 385 -6.283 -0.761 5.367 1.00 3.86 C ATOM 332 O PRO A 385 -7.505 -0.632 5.434 1.00 4.19 O ATOM 333 CB PRO A 385 -5.604 -1.418 7.702 1.00 4.33 C ATOM 334 CG PRO A 385 -4.319 -0.712 7.965 1.00 4.36 C ATOM 335 CD PRO A 385 -3.303 -1.355 7.065 1.00 3.62 C ATOM 0 HA PRO A 385 -6.033 -2.748 5.998 1.00 3.72 H new ATOM 0 HB2 PRO A 385 -6.459 -0.775 7.914 1.00 4.33 H new ATOM 0 HB3 PRO A 385 -5.706 -2.302 8.332 1.00 4.33 H new ATOM 0 HG2 PRO A 385 -4.409 0.354 7.754 1.00 4.36 H new ATOM 0 HG3 PRO A 385 -4.029 -0.806 9.011 1.00 4.36 H new ATOM 0 HD2 PRO A 385 -2.537 -0.645 6.752 1.00 3.62 H new ATOM 0 HD3 PRO A 385 -2.790 -2.179 7.562 1.00 3.62 H new ATOM 343 N SER A 386 -5.517 -0.032 4.570 1.00 3.73 N ATOM 344 CA SER A 386 -6.052 0.941 3.640 1.00 3.96 C ATOM 345 C SER A 386 -5.054 1.101 2.490 1.00 3.45 C ATOM 346 O SER A 386 -4.243 0.203 2.255 1.00 2.87 O ATOM 347 CB SER A 386 -6.296 2.277 4.357 1.00 4.60 C ATOM 348 OG SER A 386 -7.049 3.173 3.554 1.00 5.22 O ATOM 0 H SER A 386 -4.500 -0.102 4.553 1.00 3.73 H new ATOM 0 HA SER A 386 -7.010 0.605 3.243 1.00 3.96 H new ATOM 0 HB2 SER A 386 -6.823 2.096 5.294 1.00 4.60 H new ATOM 0 HB3 SER A 386 -5.340 2.733 4.613 1.00 4.60 H new ATOM 0 HG SER A 386 -7.187 4.012 4.041 1.00 5.22 H new ATOM 354 N ASP A 387 -5.113 2.218 1.780 1.00 3.74 N ATOM 355 CA ASP A 387 -4.145 2.507 0.720 1.00 3.41 C ATOM 356 C ASP A 387 -2.757 2.663 1.334 1.00 3.00 C ATOM 357 O ASP A 387 -2.633 2.976 2.522 1.00 3.29 O ATOM 358 CB ASP A 387 -4.523 3.798 -0.018 1.00 3.99 C ATOM 359 CG ASP A 387 -5.964 3.816 -0.484 1.00 4.53 C ATOM 360 OD1 ASP A 387 -6.856 4.102 0.348 1.00 5.09 O ATOM 361 OD2 ASP A 387 -6.216 3.566 -1.680 1.00 4.59 O ATOM 0 H ASP A 387 -5.819 2.942 1.915 1.00 3.74 H new ATOM 0 HA ASP A 387 -4.148 1.683 0.007 1.00 3.41 H new ATOM 0 HB2 ASP A 387 -4.350 4.650 0.640 1.00 3.99 H new ATOM 0 HB3 ASP A 387 -3.867 3.922 -0.880 1.00 3.99 H new ATOM 366 N CYS A 388 -1.715 2.443 0.538 1.00 2.47 N ATOM 367 CA CYS A 388 -0.352 2.630 1.014 1.00 2.15 C ATOM 368 C CYS A 388 -0.125 4.099 1.364 1.00 2.66 C ATOM 369 O CYS A 388 -0.458 4.986 0.581 1.00 2.92 O ATOM 370 CB CYS A 388 0.674 2.169 -0.035 1.00 1.60 C ATOM 371 SG CYS A 388 2.384 2.553 0.423 1.00 1.51 S ATOM 0 H CYS A 388 -1.789 2.137 -0.432 1.00 2.47 H new ATOM 0 HA CYS A 388 -0.214 2.019 1.906 1.00 2.15 H new ATOM 0 HB2 CYS A 388 0.577 1.093 -0.181 1.00 1.60 H new ATOM 0 HB3 CYS A 388 0.445 2.642 -0.990 1.00 1.60 H new ATOM 376 N PRO A 389 0.440 4.378 2.552 1.00 2.96 N ATOM 377 CA PRO A 389 0.668 5.752 3.028 1.00 3.57 C ATOM 378 C PRO A 389 1.652 6.528 2.153 1.00 3.52 C ATOM 379 O PRO A 389 1.813 7.739 2.307 1.00 4.04 O ATOM 380 CB PRO A 389 1.244 5.559 4.436 1.00 3.90 C ATOM 381 CG PRO A 389 1.783 4.172 4.447 1.00 3.60 C ATOM 382 CD PRO A 389 0.893 3.378 3.535 1.00 2.92 C ATOM 0 HA PRO A 389 -0.251 6.338 3.004 1.00 3.57 H new ATOM 0 HB2 PRO A 389 2.027 6.288 4.645 1.00 3.90 H new ATOM 0 HB3 PRO A 389 0.475 5.689 5.198 1.00 3.90 H new ATOM 0 HG2 PRO A 389 2.816 4.152 4.100 1.00 3.60 H new ATOM 0 HG3 PRO A 389 1.777 3.759 5.456 1.00 3.60 H new ATOM 0 HD2 PRO A 389 1.433 2.560 3.058 1.00 2.92 H new ATOM 0 HD3 PRO A 389 0.056 2.936 4.074 1.00 2.92 H new ATOM 390 N GLU A 390 2.315 5.831 1.242 1.00 3.00 N ATOM 391 CA GLU A 390 3.252 6.466 0.331 1.00 3.02 C ATOM 392 C GLU A 390 2.765 6.315 -1.110 1.00 2.79 C ATOM 393 O GLU A 390 2.507 7.301 -1.798 1.00 3.12 O ATOM 394 CB GLU A 390 4.645 5.845 0.505 1.00 2.87 C ATOM 395 CG GLU A 390 5.802 6.753 0.101 1.00 3.42 C ATOM 396 CD GLU A 390 6.020 6.837 -1.396 1.00 3.53 C ATOM 397 OE1 GLU A 390 5.425 7.723 -2.041 1.00 3.98 O ATOM 398 OE2 GLU A 390 6.807 6.027 -1.930 1.00 3.63 O ATOM 0 H GLU A 390 2.220 4.823 1.115 1.00 3.00 H new ATOM 0 HA GLU A 390 3.315 7.530 0.560 1.00 3.02 H new ATOM 0 HB2 GLU A 390 4.773 5.559 1.549 1.00 2.87 H new ATOM 0 HB3 GLU A 390 4.696 4.930 -0.085 1.00 2.87 H new ATOM 0 HG2 GLU A 390 5.618 7.755 0.489 1.00 3.42 H new ATOM 0 HG3 GLU A 390 6.716 6.392 0.572 1.00 3.42 H new ATOM 405 N HIS A 391 2.597 5.070 -1.539 1.00 2.46 N ATOM 406 CA HIS A 391 2.270 4.769 -2.932 1.00 2.55 C ATOM 407 C HIS A 391 0.775 4.876 -3.208 1.00 2.98 C ATOM 408 O HIS A 391 0.354 4.923 -4.361 1.00 3.51 O ATOM 409 CB HIS A 391 2.755 3.364 -3.296 1.00 2.20 C ATOM 410 CG HIS A 391 4.237 3.197 -3.190 1.00 2.05 C ATOM 411 ND1 HIS A 391 4.820 2.641 -2.073 1.00 1.77 N ATOM 412 CD2 HIS A 391 5.199 3.536 -4.077 1.00 2.40 C ATOM 413 CE1 HIS A 391 6.120 2.663 -2.309 1.00 2.10 C ATOM 414 NE2 HIS A 391 6.394 3.196 -3.510 1.00 2.43 N ATOM 0 H HIS A 391 2.682 4.248 -0.941 1.00 2.46 H new ATOM 0 HA HIS A 391 2.779 5.510 -3.548 1.00 2.55 H new ATOM 0 HB2 HIS A 391 2.268 2.640 -2.643 1.00 2.20 H new ATOM 0 HB3 HIS A 391 2.444 3.134 -4.315 1.00 2.20 H new ATOM 0 HD2 HIS A 391 5.051 3.988 -5.047 1.00 2.40 H new ATOM 0 HE1 HIS A 391 6.868 2.298 -1.621 1.00 2.10 H new ATOM 0 HE2 HIS A 391 7.319 3.323 -3.921 1.00 2.43 H new ATOM 422 N GLY A 392 -0.021 4.914 -2.151 1.00 2.94 N ATOM 423 CA GLY A 392 -1.462 4.969 -2.309 1.00 3.41 C ATOM 424 C GLY A 392 -2.034 3.642 -2.774 1.00 3.36 C ATOM 425 O GLY A 392 -1.483 2.586 -2.456 1.00 3.30 O ATOM 0 H GLY A 392 0.304 4.908 -1.184 1.00 2.94 H new ATOM 0 HA2 GLY A 392 -1.920 5.249 -1.360 1.00 3.41 H new ATOM 0 HA3 GLY A 392 -1.718 5.746 -3.029 1.00 3.41 H new ATOM 429 N PRO A 393 -3.156 3.666 -3.508 1.00 3.77 N ATOM 430 CA PRO A 393 -3.742 2.463 -4.107 1.00 4.00 C ATOM 431 C PRO A 393 -2.840 1.860 -5.183 1.00 3.65 C ATOM 432 O PRO A 393 -1.969 2.541 -5.733 1.00 3.97 O ATOM 433 CB PRO A 393 -5.048 2.966 -4.732 1.00 4.78 C ATOM 434 CG PRO A 393 -4.843 4.428 -4.918 1.00 5.05 C ATOM 435 CD PRO A 393 -3.965 4.864 -3.783 1.00 4.39 C ATOM 0 HA PRO A 393 -3.886 1.673 -3.370 1.00 4.00 H new ATOM 0 HB2 PRO A 393 -5.248 2.471 -5.682 1.00 4.78 H new ATOM 0 HB3 PRO A 393 -5.900 2.766 -4.082 1.00 4.78 H new ATOM 0 HG2 PRO A 393 -4.373 4.638 -5.879 1.00 5.05 H new ATOM 0 HG3 PRO A 393 -5.794 4.961 -4.904 1.00 5.05 H new ATOM 0 HD2 PRO A 393 -3.343 5.716 -4.059 1.00 4.39 H new ATOM 0 HD3 PRO A 393 -4.550 5.164 -2.913 1.00 4.39 H new ATOM 443 N VAL A 394 -3.057 0.591 -5.488 1.00 3.51 N ATOM 444 CA VAL A 394 -2.240 -0.108 -6.471 1.00 3.72 C ATOM 445 C VAL A 394 -3.089 -0.522 -7.664 1.00 3.98 C ATOM 446 O VAL A 394 -3.919 -1.424 -7.562 1.00 4.76 O ATOM 447 CB VAL A 394 -1.565 -1.357 -5.865 1.00 4.22 C ATOM 448 CG1 VAL A 394 -0.652 -2.032 -6.880 1.00 4.46 C ATOM 449 CG2 VAL A 394 -0.792 -0.997 -4.606 1.00 4.69 C ATOM 0 H VAL A 394 -3.793 0.022 -5.069 1.00 3.51 H new ATOM 0 HA VAL A 394 -1.460 0.581 -6.795 1.00 3.72 H new ATOM 0 HB VAL A 394 -2.350 -2.063 -5.594 1.00 4.22 H new ATOM 0 HG11 VAL A 394 -0.189 -2.909 -6.427 1.00 4.46 H new ATOM 0 HG12 VAL A 394 -1.236 -2.338 -7.748 1.00 4.46 H new ATOM 0 HG13 VAL A 394 0.124 -1.333 -7.193 1.00 4.46 H new ATOM 0 HG21 VAL A 394 -0.325 -1.893 -4.197 1.00 4.69 H new ATOM 0 HG22 VAL A 394 -0.022 -0.265 -4.849 1.00 4.69 H new ATOM 0 HG23 VAL A 394 -1.474 -0.574 -3.868 1.00 4.69 H new ATOM 459 N THR A 395 -2.882 0.145 -8.787 1.00 3.71 N ATOM 460 CA THR A 395 -3.661 -0.115 -9.985 1.00 4.37 C ATOM 461 C THR A 395 -3.006 -1.180 -10.858 1.00 4.14 C ATOM 462 O THR A 395 -3.681 -1.856 -11.638 1.00 4.55 O ATOM 463 CB THR A 395 -3.860 1.171 -10.811 1.00 4.99 C ATOM 464 OG1 THR A 395 -2.593 1.799 -11.059 1.00 5.13 O ATOM 465 CG2 THR A 395 -4.777 2.143 -10.085 1.00 5.72 C ATOM 0 H THR A 395 -2.177 0.874 -8.894 1.00 3.71 H new ATOM 0 HA THR A 395 -4.633 -0.481 -9.655 1.00 4.37 H new ATOM 0 HB THR A 395 -4.321 0.898 -11.760 1.00 4.99 H new ATOM 0 HG1 THR A 395 -2.729 2.614 -11.586 1.00 5.13 H new ATOM 0 HG21 THR A 395 -4.903 3.043 -10.687 1.00 5.72 H new ATOM 0 HG22 THR A 395 -5.748 1.676 -9.924 1.00 5.72 H new ATOM 0 HG23 THR A 395 -4.338 2.408 -9.123 1.00 5.72 H new ATOM 473 N PHE A 396 -1.693 -1.334 -10.720 1.00 3.97 N ATOM 474 CA PHE A 396 -0.949 -2.289 -11.528 1.00 4.15 C ATOM 475 C PHE A 396 0.338 -2.697 -10.823 1.00 4.04 C ATOM 476 O PHE A 396 0.800 -2.012 -9.908 1.00 4.16 O ATOM 477 CB PHE A 396 -0.606 -1.678 -12.896 1.00 4.81 C ATOM 478 CG PHE A 396 0.509 -0.662 -12.845 1.00 5.16 C ATOM 479 CD1 PHE A 396 0.301 0.597 -12.303 1.00 5.72 C ATOM 480 CD2 PHE A 396 1.767 -0.972 -13.337 1.00 5.38 C ATOM 481 CE1 PHE A 396 1.324 1.524 -12.250 1.00 6.40 C ATOM 482 CE2 PHE A 396 2.794 -0.048 -13.290 1.00 6.07 C ATOM 483 CZ PHE A 396 2.573 1.201 -12.745 1.00 6.54 C ATOM 0 H PHE A 396 -1.124 -0.809 -10.056 1.00 3.97 H new ATOM 0 HA PHE A 396 -1.574 -3.171 -11.672 1.00 4.15 H new ATOM 0 HB2 PHE A 396 -0.325 -2.478 -13.581 1.00 4.81 H new ATOM 0 HB3 PHE A 396 -1.498 -1.205 -13.307 1.00 4.81 H new ATOM 0 HD1 PHE A 396 -0.674 0.857 -11.917 1.00 5.72 H new ATOM 0 HD2 PHE A 396 1.947 -1.948 -13.763 1.00 5.38 H new ATOM 0 HE1 PHE A 396 1.148 2.500 -11.822 1.00 6.40 H new ATOM 0 HE2 PHE A 396 3.769 -0.303 -13.679 1.00 6.07 H new ATOM 0 HZ PHE A 396 3.374 1.924 -12.706 1.00 6.54 H new ATOM 493 N VAL A 397 0.913 -3.813 -11.250 1.00 4.36 N ATOM 494 CA VAL A 397 2.228 -4.209 -10.781 1.00 4.90 C ATOM 495 C VAL A 397 3.281 -3.834 -11.822 1.00 5.50 C ATOM 496 O VAL A 397 3.121 -4.120 -13.013 1.00 5.82 O ATOM 497 CB VAL A 397 2.314 -5.721 -10.458 1.00 5.50 C ATOM 498 CG1 VAL A 397 1.405 -6.065 -9.291 1.00 5.77 C ATOM 499 CG2 VAL A 397 1.965 -6.572 -11.673 1.00 6.17 C ATOM 0 H VAL A 397 0.489 -4.456 -11.918 1.00 4.36 H new ATOM 0 HA VAL A 397 2.416 -3.674 -9.850 1.00 4.90 H new ATOM 0 HB VAL A 397 3.344 -5.944 -10.181 1.00 5.50 H new ATOM 0 HG11 VAL A 397 1.477 -7.131 -9.076 1.00 5.77 H new ATOM 0 HG12 VAL A 397 1.710 -5.496 -8.412 1.00 5.77 H new ATOM 0 HG13 VAL A 397 0.375 -5.815 -9.546 1.00 5.77 H new ATOM 0 HG21 VAL A 397 2.036 -7.628 -11.410 1.00 6.17 H new ATOM 0 HG22 VAL A 397 0.949 -6.346 -11.996 1.00 6.17 H new ATOM 0 HG23 VAL A 397 2.661 -6.352 -12.483 1.00 6.17 H new ATOM 509 N PRO A 398 4.359 -3.165 -11.392 1.00 5.97 N ATOM 510 CA PRO A 398 5.419 -2.697 -12.290 1.00 6.86 C ATOM 511 C PRO A 398 6.361 -3.816 -12.726 1.00 7.67 C ATOM 512 O PRO A 398 7.581 -3.653 -12.729 1.00 8.36 O ATOM 513 CB PRO A 398 6.163 -1.677 -11.433 1.00 7.35 C ATOM 514 CG PRO A 398 5.997 -2.181 -10.044 1.00 6.95 C ATOM 515 CD PRO A 398 4.630 -2.803 -9.988 1.00 6.01 C ATOM 0 HA PRO A 398 5.019 -2.295 -13.221 1.00 6.86 H new ATOM 0 HB2 PRO A 398 7.215 -1.614 -11.711 1.00 7.35 H new ATOM 0 HB3 PRO A 398 5.743 -0.678 -11.547 1.00 7.35 H new ATOM 0 HG2 PRO A 398 6.768 -2.912 -9.800 1.00 6.95 H new ATOM 0 HG3 PRO A 398 6.086 -1.370 -9.322 1.00 6.95 H new ATOM 0 HD2 PRO A 398 4.613 -3.677 -9.338 1.00 6.01 H new ATOM 0 HD3 PRO A 398 3.887 -2.105 -9.603 1.00 6.01 H new ATOM 523 N ASP A 399 5.790 -4.950 -13.089 1.00 7.83 N ATOM 524 CA ASP A 399 6.568 -6.087 -13.550 1.00 8.78 C ATOM 525 C ASP A 399 6.557 -6.153 -15.065 1.00 9.15 C ATOM 526 O ASP A 399 5.563 -6.546 -15.673 1.00 9.38 O ATOM 527 CB ASP A 399 6.032 -7.390 -12.958 1.00 9.18 C ATOM 528 CG ASP A 399 6.519 -7.622 -11.543 1.00 9.69 C ATOM 529 OD1 ASP A 399 5.902 -7.090 -10.596 1.00 9.49 O ATOM 530 OD2 ASP A 399 7.531 -8.335 -11.372 1.00 10.47 O ATOM 0 H ASP A 399 4.783 -5.109 -13.073 1.00 7.83 H new ATOM 0 HA ASP A 399 7.596 -5.956 -13.211 1.00 8.78 H new ATOM 0 HB2 ASP A 399 4.942 -7.369 -12.966 1.00 9.18 H new ATOM 0 HB3 ASP A 399 6.339 -8.226 -13.587 1.00 9.18 H new ATOM 535 N THR A 400 7.658 -5.743 -15.670 1.00 9.46 N ATOM 536 CA THR A 400 7.778 -5.730 -17.114 1.00 10.09 C ATOM 537 C THR A 400 8.358 -7.046 -17.633 1.00 10.99 C ATOM 538 O THR A 400 9.509 -7.389 -17.347 1.00 11.20 O ATOM 539 CB THR A 400 8.655 -4.550 -17.571 1.00 10.16 C ATOM 540 OG1 THR A 400 9.826 -4.460 -16.745 1.00 9.95 O ATOM 541 CG2 THR A 400 7.878 -3.243 -17.499 1.00 10.17 C ATOM 0 H THR A 400 8.487 -5.412 -15.177 1.00 9.46 H new ATOM 0 HA THR A 400 6.778 -5.611 -17.530 1.00 10.09 H new ATOM 0 HB THR A 400 8.952 -4.724 -18.605 1.00 10.16 H new ATOM 0 HG1 THR A 400 10.196 -5.356 -16.603 1.00 9.95 H new ATOM 0 HG21 THR A 400 8.516 -2.422 -17.826 1.00 10.17 H new ATOM 0 HG22 THR A 400 7.004 -3.303 -18.147 1.00 10.17 H new ATOM 0 HG23 THR A 400 7.557 -3.066 -16.472 1.00 10.17 H new ATOM 549 N PRO A 401 7.557 -7.814 -18.387 1.00 11.70 N ATOM 550 CA PRO A 401 7.989 -9.097 -18.939 1.00 12.73 C ATOM 551 C PRO A 401 8.967 -8.922 -20.094 1.00 13.37 C ATOM 552 O PRO A 401 8.790 -8.052 -20.952 1.00 13.87 O ATOM 553 CB PRO A 401 6.686 -9.730 -19.428 1.00 13.30 C ATOM 554 CG PRO A 401 5.791 -8.578 -19.729 1.00 12.82 C ATOM 555 CD PRO A 401 6.167 -7.489 -18.760 1.00 11.73 C ATOM 0 HA PRO A 401 8.519 -9.703 -18.205 1.00 12.73 H new ATOM 0 HB2 PRO A 401 6.852 -10.343 -20.314 1.00 13.30 H new ATOM 0 HB3 PRO A 401 6.252 -10.379 -18.668 1.00 13.30 H new ATOM 0 HG2 PRO A 401 5.919 -8.244 -20.759 1.00 12.82 H new ATOM 0 HG3 PRO A 401 4.744 -8.858 -19.613 1.00 12.82 H new ATOM 0 HD2 PRO A 401 6.096 -6.503 -19.219 1.00 11.73 H new ATOM 0 HD3 PRO A 401 5.510 -7.483 -17.890 1.00 11.73 H new ATOM 563 N ILE A 402 10.002 -9.745 -20.114 1.00 13.49 N ATOM 564 CA ILE A 402 11.007 -9.678 -21.160 1.00 14.27 C ATOM 565 C ILE A 402 11.546 -11.073 -21.469 1.00 14.82 C ATOM 566 O ILE A 402 11.303 -11.566 -22.588 1.00 15.17 O ATOM 567 CB ILE A 402 12.161 -8.710 -20.790 1.00 14.27 C ATOM 568 CG1 ILE A 402 13.268 -8.763 -21.849 1.00 14.67 C ATOM 569 CG2 ILE A 402 12.717 -9.015 -19.404 1.00 14.20 C ATOM 570 CD1 ILE A 402 14.396 -7.784 -21.602 1.00 15.06 C ATOM 571 OXT ILE A 402 12.168 -11.693 -20.581 1.00 15.02 O ATOM 0 H ILE A 402 10.168 -10.469 -19.415 1.00 13.49 H new ATOM 0 HA ILE A 402 10.528 -9.281 -22.055 1.00 14.27 H new ATOM 0 HB ILE A 402 11.757 -7.698 -20.766 1.00 14.27 H new ATOM 0 HG12 ILE A 402 13.677 -9.773 -21.884 1.00 14.67 H new ATOM 0 HG13 ILE A 402 12.832 -8.562 -22.828 1.00 14.67 H new ATOM 0 HG21 ILE A 402 13.524 -8.319 -19.175 1.00 14.20 H new ATOM 0 HG22 ILE A 402 11.925 -8.909 -18.663 1.00 14.20 H new ATOM 0 HG23 ILE A 402 13.100 -10.035 -19.382 1.00 14.20 H new ATOM 0 HD11 ILE A 402 15.141 -7.880 -22.392 1.00 15.06 H new ATOM 0 HD12 ILE A 402 14.001 -6.768 -21.597 1.00 15.06 H new ATOM 0 HD13 ILE A 402 14.859 -7.998 -20.639 1.00 15.06 H new TER 583 ILE A 402 HETATM 584 ZN ZN A 403 3.911 1.369 -0.831 1.00 1.27 ZN