USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 271 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 Set 1.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 THR OG1 : rot 163:sc= 1.01 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.736 K(o=-0.74,f=-3.4!) USER MOD Set 2.2: A 15 GLN : amide:sc= 0 X(o=-0.74,f=-0.74) USER MOD Single : A 1 GLU N :NH3+ -166:sc= -0.0303 (180deg=-0.291) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.329 (180deg=-0.46) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= 0.567 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.805 1.014 -1.649 1.00 0.00 N ATOM 2 CA GLU A 1 2.243 -0.069 -0.851 1.00 0.00 C ATOM 3 C GLU A 1 2.888 -1.404 -1.213 1.00 0.00 C ATOM 4 O GLU A 1 3.020 -2.292 -0.370 1.00 0.00 O ATOM 5 CB GLU A 1 0.729 -0.150 -1.056 1.00 0.00 C ATOM 6 CG GLU A 1 -0.059 0.775 -0.144 1.00 0.00 C ATOM 7 CD GLU A 1 -0.216 2.169 -0.721 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.827 2.298 -1.802 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.274 3.129 -0.091 1.00 0.00 O ATOM 0 H1 GLU A 1 2.535 1.928 -1.233 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.842 0.933 -1.663 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.440 0.955 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 1 2.450 0.142 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.498 0.093 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.403 -1.176 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.045 0.347 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.442 0.840 0.822 1.00 0.00 H new ATOM 16 N CYS A 2 3.288 -1.538 -2.473 1.00 0.00 N ATOM 17 CA CYS A 2 3.919 -2.763 -2.949 1.00 0.00 C ATOM 18 C CYS A 2 5.238 -2.458 -3.654 1.00 0.00 C ATOM 19 O CYS A 2 5.663 -1.304 -3.725 1.00 0.00 O ATOM 20 CB CYS A 2 2.981 -3.508 -3.900 1.00 0.00 C ATOM 21 SG CYS A 2 2.189 -2.444 -5.150 1.00 0.00 S ATOM 0 H CYS A 2 3.186 -0.813 -3.183 1.00 0.00 H new ATOM 0 HA CYS A 2 4.127 -3.394 -2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.544 -4.291 -4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.205 -4.002 -3.315 1.00 0.00 H new ATOM 26 N LEU A 3 5.879 -3.499 -4.173 1.00 0.00 N ATOM 27 CA LEU A 3 7.150 -3.343 -4.873 1.00 0.00 C ATOM 28 C LEU A 3 6.931 -2.816 -6.288 1.00 0.00 C ATOM 29 O LEU A 3 5.795 -2.649 -6.728 1.00 0.00 O ATOM 30 CB LEU A 3 7.894 -4.678 -4.922 1.00 0.00 C ATOM 31 CG LEU A 3 8.792 -4.991 -3.725 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.210 -4.396 -2.452 1.00 0.00 C ATOM 33 CD2 LEU A 3 8.978 -6.494 -3.576 1.00 0.00 C ATOM 0 H LEU A 3 5.540 -4.460 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 3 7.753 -2.619 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.159 -5.477 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.505 -4.697 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 3 9.769 -4.540 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.862 -4.629 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.129 -3.314 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.221 -4.818 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.620 -6.698 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.008 -6.967 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.439 -6.895 -4.479 1.00 0.00 H new ATOM 45 N GLU A 4 8.028 -2.560 -6.994 1.00 0.00 N ATOM 46 CA GLU A 4 7.955 -2.054 -8.360 1.00 0.00 C ATOM 47 C GLU A 4 8.628 -3.017 -9.333 1.00 0.00 C ATOM 48 O GLU A 4 8.963 -4.146 -8.974 1.00 0.00 O ATOM 49 CB GLU A 4 8.612 -0.675 -8.452 1.00 0.00 C ATOM 50 CG GLU A 4 7.819 0.323 -9.279 1.00 0.00 C ATOM 51 CD GLU A 4 8.708 1.297 -10.028 1.00 0.00 C ATOM 52 OE1 GLU A 4 9.538 1.963 -9.375 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.573 1.392 -11.266 1.00 0.00 O ATOM 0 H GLU A 4 8.976 -2.694 -6.643 1.00 0.00 H new ATOM 0 HA GLU A 4 6.903 -1.966 -8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.744 -0.277 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.606 -0.784 -8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.195 -0.216 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.147 0.879 -8.625 1.00 0.00 H new ATOM 60 N ILE A 5 8.821 -2.563 -10.567 1.00 0.00 N ATOM 61 CA ILE A 5 9.454 -3.383 -11.592 1.00 0.00 C ATOM 62 C ILE A 5 10.971 -3.393 -11.430 1.00 0.00 C ATOM 63 O ILE A 5 11.574 -2.382 -11.069 1.00 0.00 O ATOM 64 CB ILE A 5 9.104 -2.885 -13.007 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.701 -3.349 -13.401 1.00 0.00 C ATOM 66 CG2 ILE A 5 10.134 -3.380 -14.012 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.587 -4.847 -13.579 1.00 0.00 C ATOM 0 H ILE A 5 8.548 -1.632 -10.881 1.00 0.00 H new ATOM 0 HA ILE A 5 9.071 -4.396 -11.466 1.00 0.00 H new ATOM 0 HB ILE A 5 9.119 -1.795 -13.008 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.993 -3.027 -12.637 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.412 -2.858 -14.330 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.873 -3.020 -15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.120 -3.005 -13.737 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.148 -4.470 -14.012 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.565 -5.104 -13.858 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.270 -5.173 -14.363 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.844 -5.345 -12.644 1.00 0.00 H new ATOM 79 N PHE A 6 11.582 -4.542 -11.699 1.00 0.00 N ATOM 80 CA PHE A 6 13.028 -4.684 -11.584 1.00 0.00 C ATOM 81 C PHE A 6 13.462 -4.659 -10.121 1.00 0.00 C ATOM 82 O PHE A 6 14.619 -4.375 -9.809 1.00 0.00 O ATOM 83 CB PHE A 6 13.735 -3.568 -12.356 1.00 0.00 C ATOM 84 CG PHE A 6 15.105 -3.948 -12.841 1.00 0.00 C ATOM 85 CD1 PHE A 6 15.270 -4.981 -13.750 1.00 0.00 C ATOM 86 CD2 PHE A 6 16.227 -3.274 -12.387 1.00 0.00 C ATOM 87 CE1 PHE A 6 16.530 -5.333 -14.197 1.00 0.00 C ATOM 88 CE2 PHE A 6 17.489 -3.622 -12.830 1.00 0.00 C ATOM 89 CZ PHE A 6 17.640 -4.652 -13.737 1.00 0.00 C ATOM 0 H PHE A 6 11.098 -5.388 -11.998 1.00 0.00 H new ATOM 0 HA PHE A 6 13.308 -5.646 -12.012 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.122 -3.284 -13.211 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.816 -2.689 -11.716 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.405 -5.517 -14.113 1.00 0.00 H new ATOM 0 HD2 PHE A 6 16.114 -2.467 -11.678 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.646 -6.140 -14.905 1.00 0.00 H new ATOM 0 HE2 PHE A 6 18.356 -3.089 -12.467 1.00 0.00 H new ATOM 0 HZ PHE A 6 18.625 -4.925 -14.086 1.00 0.00 H new ATOM 99 N LYS A 7 12.526 -4.958 -9.227 1.00 0.00 N ATOM 100 CA LYS A 7 12.809 -4.971 -7.797 1.00 0.00 C ATOM 101 C LYS A 7 13.018 -6.397 -7.297 1.00 0.00 C ATOM 102 O LYS A 7 12.213 -7.286 -7.574 1.00 0.00 O ATOM 103 CB LYS A 7 11.666 -4.311 -7.024 1.00 0.00 C ATOM 104 CG LYS A 7 11.869 -2.824 -6.790 1.00 0.00 C ATOM 105 CD LYS A 7 11.286 -2.384 -5.458 1.00 0.00 C ATOM 106 CE LYS A 7 12.331 -2.419 -4.353 1.00 0.00 C ATOM 107 NZ LYS A 7 12.848 -3.796 -4.123 1.00 0.00 N ATOM 0 H LYS A 7 11.564 -5.195 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 7 13.726 -4.407 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.735 -4.460 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.554 -4.810 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.934 -2.593 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.401 -2.261 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.886 -1.374 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.452 -3.034 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.158 -1.759 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.897 -2.035 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.398 -3.817 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.050 -4.459 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.458 -4.075 -4.918 1.00 0.00 H new ATOM 121 N ALA A 8 14.103 -6.608 -6.559 1.00 0.00 N ATOM 122 CA ALA A 8 14.414 -7.925 -6.017 1.00 0.00 C ATOM 123 C ALA A 8 13.205 -8.529 -5.313 1.00 0.00 C ATOM 124 O ALA A 8 12.843 -8.113 -4.212 1.00 0.00 O ATOM 125 CB ALA A 8 15.595 -7.836 -5.061 1.00 0.00 C ATOM 0 H ALA A 8 14.781 -5.884 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 8 14.681 -8.579 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.817 -8.826 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.466 -7.455 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.349 -7.162 -4.240 1.00 0.00 H new ATOM 131 N CYS A 9 12.582 -9.512 -5.954 1.00 0.00 N ATOM 132 CA CYS A 9 11.412 -10.174 -5.390 1.00 0.00 C ATOM 133 C CYS A 9 11.802 -11.484 -4.712 1.00 0.00 C ATOM 134 O CYS A 9 12.585 -12.264 -5.251 1.00 0.00 O ATOM 135 CB CYS A 9 10.375 -10.441 -6.483 1.00 0.00 C ATOM 136 SG CYS A 9 10.964 -11.535 -7.815 1.00 0.00 S ATOM 0 H CYS A 9 12.869 -9.868 -6.866 1.00 0.00 H new ATOM 0 HA CYS A 9 10.978 -9.513 -4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.489 -10.884 -6.028 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.068 -9.490 -6.918 1.00 0.00 H new ATOM 141 N ASN A 10 11.249 -11.717 -3.526 1.00 0.00 N ATOM 142 CA ASN A 10 11.539 -12.933 -2.773 1.00 0.00 C ATOM 143 C ASN A 10 10.262 -13.723 -2.504 1.00 0.00 C ATOM 144 O ASN A 10 9.151 -13.196 -2.568 1.00 0.00 O ATOM 145 CB ASN A 10 12.227 -12.587 -1.451 1.00 0.00 C ATOM 146 CG ASN A 10 13.736 -12.525 -1.584 1.00 0.00 C ATOM 147 OD1 ASN A 10 14.387 -13.531 -1.865 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.299 -11.339 -1.381 1.00 0.00 N ATOM 0 H ASN A 10 10.598 -11.081 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 10 12.208 -13.551 -3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.857 -11.627 -1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.961 -13.331 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.311 -11.235 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.719 -10.532 -1.150 1.00 0.00 H new ATOM 155 N PRO A 11 10.422 -15.018 -2.195 1.00 0.00 N ATOM 156 CA PRO A 11 9.294 -15.909 -1.908 1.00 0.00 C ATOM 157 C PRO A 11 8.614 -15.576 -0.584 1.00 0.00 C ATOM 158 O PRO A 11 7.387 -15.590 -0.484 1.00 0.00 O ATOM 159 CB PRO A 11 9.943 -17.294 -1.842 1.00 0.00 C ATOM 160 CG PRO A 11 11.361 -17.030 -1.469 1.00 0.00 C ATOM 161 CD PRO A 11 11.717 -15.713 -2.100 1.00 0.00 C ATOM 0 HA PRO A 11 8.509 -15.827 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.451 -17.927 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.875 -17.809 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.478 -16.988 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.014 -17.825 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.429 -15.155 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.173 -15.848 -3.081 1.00 0.00 H new ATOM 169 N SER A 12 9.419 -15.276 0.430 1.00 0.00 N ATOM 170 CA SER A 12 8.895 -14.943 1.750 1.00 0.00 C ATOM 171 C SER A 12 8.529 -13.464 1.831 1.00 0.00 C ATOM 172 O SER A 12 7.829 -13.036 2.747 1.00 0.00 O ATOM 173 CB SER A 12 9.921 -15.286 2.831 1.00 0.00 C ATOM 174 OG SER A 12 10.914 -16.165 2.332 1.00 0.00 O ATOM 0 H SER A 12 10.437 -15.257 0.363 1.00 0.00 H new ATOM 0 HA SER A 12 7.993 -15.533 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.390 -14.372 3.195 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.418 -15.746 3.681 1.00 0.00 H new ATOM 0 HG SER A 12 11.559 -16.367 3.042 1.00 0.00 H new ATOM 180 N ASN A 13 9.009 -12.688 0.864 1.00 0.00 N ATOM 181 CA ASN A 13 8.734 -11.256 0.825 1.00 0.00 C ATOM 182 C ASN A 13 7.892 -10.897 -0.395 1.00 0.00 C ATOM 183 O ASN A 13 8.268 -10.035 -1.189 1.00 0.00 O ATOM 184 CB ASN A 13 10.043 -10.464 0.807 1.00 0.00 C ATOM 185 CG ASN A 13 9.867 -9.046 1.313 1.00 0.00 C ATOM 186 OD1 ASN A 13 8.871 -8.725 1.962 1.00 0.00 O ATOM 187 ND2 ASN A 13 10.837 -8.188 1.018 1.00 0.00 N ATOM 0 H ASN A 13 9.590 -13.027 0.097 1.00 0.00 H new ATOM 0 HA ASN A 13 8.172 -10.995 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.783 -10.977 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.435 -10.438 -0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.774 -7.220 1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.645 -8.498 0.478 1.00 0.00 H new ATOM 194 N ASP A 14 6.752 -11.564 -0.538 1.00 0.00 N ATOM 195 CA ASP A 14 5.856 -11.314 -1.661 1.00 0.00 C ATOM 196 C ASP A 14 5.118 -9.991 -1.483 1.00 0.00 C ATOM 197 O ASP A 14 3.931 -9.970 -1.157 1.00 0.00 O ATOM 198 CB ASP A 14 4.850 -12.458 -1.802 1.00 0.00 C ATOM 199 CG ASP A 14 4.264 -12.545 -3.197 1.00 0.00 C ATOM 200 OD1 ASP A 14 3.865 -11.493 -3.739 1.00 0.00 O ATOM 201 OD2 ASP A 14 4.203 -13.664 -3.748 1.00 0.00 O ATOM 0 H ASP A 14 6.427 -12.282 0.110 1.00 0.00 H new ATOM 0 HA ASP A 14 6.457 -11.255 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.340 -13.401 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.044 -12.321 -1.081 1.00 0.00 H new ATOM 206 N GLN A 15 5.829 -8.889 -1.699 1.00 0.00 N ATOM 207 CA GLN A 15 5.242 -7.562 -1.561 1.00 0.00 C ATOM 208 C GLN A 15 4.796 -7.021 -2.916 1.00 0.00 C ATOM 209 O GLN A 15 3.941 -6.137 -2.992 1.00 0.00 O ATOM 210 CB GLN A 15 6.245 -6.601 -0.920 1.00 0.00 C ATOM 211 CG GLN A 15 6.605 -6.965 0.511 1.00 0.00 C ATOM 212 CD GLN A 15 6.948 -5.751 1.353 1.00 0.00 C ATOM 213 OE1 GLN A 15 6.070 -4.969 1.720 1.00 0.00 O ATOM 214 NE2 GLN A 15 8.228 -5.588 1.663 1.00 0.00 N ATOM 0 H GLN A 15 6.812 -8.889 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 15 4.367 -7.645 -0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.154 -6.583 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.832 -5.593 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.770 -7.495 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.453 -7.650 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.921 -6.261 1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.518 -4.789 2.227 1.00 0.00 H new ATOM 223 N CYS A 16 5.380 -7.555 -3.983 1.00 0.00 N ATOM 224 CA CYS A 16 5.044 -7.126 -5.335 1.00 0.00 C ATOM 225 C CYS A 16 3.540 -7.223 -5.578 1.00 0.00 C ATOM 226 O CYS A 16 2.914 -8.237 -5.269 1.00 0.00 O ATOM 227 CB CYS A 16 5.794 -7.975 -6.363 1.00 0.00 C ATOM 228 SG CYS A 16 6.722 -7.004 -7.593 1.00 0.00 S ATOM 0 H CYS A 16 6.089 -8.287 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 16 5.346 -6.084 -5.445 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.486 -8.634 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.079 -8.612 -6.883 1.00 0.00 H new ATOM 233 N CYS A 17 2.968 -6.161 -6.136 1.00 0.00 N ATOM 234 CA CYS A 17 1.538 -6.125 -6.421 1.00 0.00 C ATOM 235 C CYS A 17 1.163 -7.183 -7.455 1.00 0.00 C ATOM 236 O CYS A 17 1.234 -6.942 -8.661 1.00 0.00 O ATOM 237 CB CYS A 17 1.133 -4.738 -6.924 1.00 0.00 C ATOM 238 SG CYS A 17 0.518 -3.625 -5.620 1.00 0.00 S ATOM 0 H CYS A 17 3.472 -5.314 -6.400 1.00 0.00 H new ATOM 0 HA CYS A 17 1.002 -6.340 -5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.992 -4.274 -7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.361 -4.850 -7.685 1.00 0.00 H new ATOM 243 N LYS A 18 0.763 -8.355 -6.975 1.00 0.00 N ATOM 244 CA LYS A 18 0.375 -9.451 -7.856 1.00 0.00 C ATOM 245 C LYS A 18 -1.079 -9.307 -8.294 1.00 0.00 C ATOM 246 O LYS A 18 -1.600 -10.143 -9.033 1.00 0.00 O ATOM 247 CB LYS A 18 0.577 -10.794 -7.152 1.00 0.00 C ATOM 248 CG LYS A 18 1.956 -11.393 -7.368 1.00 0.00 C ATOM 249 CD LYS A 18 2.287 -12.428 -6.306 1.00 0.00 C ATOM 250 CE LYS A 18 1.844 -13.820 -6.727 1.00 0.00 C ATOM 251 NZ LYS A 18 2.300 -14.862 -5.766 1.00 0.00 N ATOM 0 H LYS A 18 0.699 -8.571 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 18 1.008 -9.414 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.411 -10.663 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.175 -11.498 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.003 -11.855 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.705 -10.601 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.361 -12.428 -6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.800 -12.158 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.757 -13.847 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.239 -14.042 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.781 -15.625 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.959 -14.439 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.479 -15.251 -5.260 1.00 0.00 H new ATOM 265 N SER A 19 -1.729 -8.243 -7.834 1.00 0.00 N ATOM 266 CA SER A 19 -3.124 -7.992 -8.176 1.00 0.00 C ATOM 267 C SER A 19 -3.229 -7.029 -9.355 1.00 0.00 C ATOM 268 O SER A 19 -4.307 -6.835 -9.918 1.00 0.00 O ATOM 269 CB SER A 19 -3.873 -7.423 -6.969 1.00 0.00 C ATOM 270 OG SER A 19 -5.240 -7.794 -6.996 1.00 0.00 O ATOM 0 H SER A 19 -1.312 -7.541 -7.223 1.00 0.00 H new ATOM 0 HA SER A 19 -3.579 -8.940 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.413 -7.783 -6.049 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.788 -6.336 -6.963 1.00 0.00 H new ATOM 0 HG SER A 19 -5.696 -7.419 -6.214 1.00 0.00 H new ATOM 276 N SER A 20 -2.102 -6.427 -9.722 1.00 0.00 N ATOM 277 CA SER A 20 -2.067 -5.481 -10.830 1.00 0.00 C ATOM 278 C SER A 20 -1.342 -6.079 -12.032 1.00 0.00 C ATOM 279 O SER A 20 -1.966 -6.640 -12.933 1.00 0.00 O ATOM 280 CB SER A 20 -1.380 -4.184 -10.400 1.00 0.00 C ATOM 281 OG SER A 20 -2.331 -3.203 -10.023 1.00 0.00 O ATOM 0 H SER A 20 -1.201 -6.578 -9.268 1.00 0.00 H new ATOM 0 HA SER A 20 -3.095 -5.261 -11.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.709 -4.384 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.767 -3.805 -11.218 1.00 0.00 H new ATOM 0 HG SER A 20 -1.866 -2.384 -9.751 1.00 0.00 H new ATOM 287 N LYS A 21 -0.019 -5.955 -12.038 1.00 0.00 N ATOM 288 CA LYS A 21 0.794 -6.483 -13.127 1.00 0.00 C ATOM 289 C LYS A 21 2.221 -6.754 -12.659 1.00 0.00 C ATOM 290 O LYS A 21 3.122 -6.967 -13.472 1.00 0.00 O ATOM 291 CB LYS A 21 0.809 -5.503 -14.302 1.00 0.00 C ATOM 292 CG LYS A 21 0.895 -4.047 -13.878 1.00 0.00 C ATOM 293 CD LYS A 21 -0.459 -3.361 -13.962 1.00 0.00 C ATOM 294 CE LYS A 21 -0.891 -3.155 -15.406 1.00 0.00 C ATOM 295 NZ LYS A 21 -2.050 -2.226 -15.511 1.00 0.00 N ATOM 0 H LYS A 21 0.513 -5.493 -11.300 1.00 0.00 H new ATOM 0 HA LYS A 21 0.352 -7.425 -13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.656 -5.735 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.093 -5.647 -14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.272 -3.986 -12.857 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.609 -3.524 -14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.205 -3.961 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.412 -2.398 -13.454 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.055 -2.759 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.155 -4.116 -15.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.314 -2.112 -16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.856 -2.616 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.790 -1.301 -15.114 1.00 0.00 H new ATOM 309 N LEU A 22 2.419 -6.746 -11.346 1.00 0.00 N ATOM 310 CA LEU A 22 3.736 -6.992 -10.769 1.00 0.00 C ATOM 311 C LEU A 22 3.831 -8.410 -10.213 1.00 0.00 C ATOM 312 O LEU A 22 3.283 -8.709 -9.152 1.00 0.00 O ATOM 313 CB LEU A 22 4.028 -5.978 -9.663 1.00 0.00 C ATOM 314 CG LEU A 22 3.467 -4.571 -9.876 1.00 0.00 C ATOM 315 CD1 LEU A 22 4.017 -3.613 -8.832 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.787 -4.077 -11.279 1.00 0.00 C ATOM 0 H LEU A 22 1.684 -6.572 -10.660 1.00 0.00 H new ATOM 0 HA LEU A 22 4.478 -6.881 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.630 -6.368 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.109 -5.902 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 22 2.383 -4.612 -9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.607 -2.617 -9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.736 -3.958 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.104 -3.575 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.381 -3.075 -11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.868 -4.052 -11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.342 -4.750 -12.012 1.00 0.00 H new ATOM 328 N VAL A 23 4.530 -9.278 -10.937 1.00 0.00 N ATOM 329 CA VAL A 23 4.700 -10.663 -10.514 1.00 0.00 C ATOM 330 C VAL A 23 6.168 -11.074 -10.551 1.00 0.00 C ATOM 331 O VAL A 23 6.866 -10.834 -11.537 1.00 0.00 O ATOM 332 CB VAL A 23 3.887 -11.624 -11.402 1.00 0.00 C ATOM 333 CG1 VAL A 23 2.396 -11.391 -11.216 1.00 0.00 C ATOM 334 CG2 VAL A 23 4.283 -11.463 -12.862 1.00 0.00 C ATOM 0 H VAL A 23 4.988 -9.047 -11.819 1.00 0.00 H new ATOM 0 HA VAL A 23 4.334 -10.728 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 23 4.110 -12.647 -11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.838 -12.079 -11.851 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.128 -11.562 -10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.151 -10.365 -11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.699 -12.149 -13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.090 -10.438 -13.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.344 -11.686 -12.978 1.00 0.00 H new ATOM 344 N CYS A 24 6.631 -11.694 -9.471 1.00 0.00 N ATOM 345 CA CYS A 24 8.016 -12.138 -9.379 1.00 0.00 C ATOM 346 C CYS A 24 8.405 -12.963 -10.602 1.00 0.00 C ATOM 347 O CYS A 24 8.020 -14.125 -10.728 1.00 0.00 O ATOM 348 CB CYS A 24 8.225 -12.962 -8.107 1.00 0.00 C ATOM 349 SG CYS A 24 9.974 -13.267 -7.697 1.00 0.00 S ATOM 0 H CYS A 24 6.067 -11.900 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 24 8.653 -11.255 -9.341 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.752 -12.447 -7.271 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.717 -13.920 -8.220 1.00 0.00 H new ATOM 354 N SER A 25 9.172 -12.353 -11.500 1.00 0.00 N ATOM 355 CA SER A 25 9.611 -13.029 -12.715 1.00 0.00 C ATOM 356 C SER A 25 10.217 -14.391 -12.391 1.00 0.00 C ATOM 357 O SER A 25 10.747 -14.603 -11.300 1.00 0.00 O ATOM 358 CB SER A 25 10.632 -12.169 -13.462 1.00 0.00 C ATOM 359 OG SER A 25 10.558 -12.387 -14.860 1.00 0.00 O ATOM 0 H SER A 25 9.502 -11.392 -11.409 1.00 0.00 H new ATOM 0 HA SER A 25 8.739 -13.181 -13.351 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.453 -11.116 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.636 -12.401 -13.107 1.00 0.00 H new ATOM 0 HG SER A 25 11.220 -11.824 -15.314 1.00 0.00 H new ATOM 365 N ARG A 26 10.134 -15.311 -13.346 1.00 0.00 N ATOM 366 CA ARG A 26 10.673 -16.654 -13.162 1.00 0.00 C ATOM 367 C ARG A 26 12.119 -16.730 -13.642 1.00 0.00 C ATOM 368 O ARG A 26 13.012 -17.133 -12.897 1.00 0.00 O ATOM 369 CB ARG A 26 9.820 -17.676 -13.916 1.00 0.00 C ATOM 370 CG ARG A 26 8.413 -17.824 -13.359 1.00 0.00 C ATOM 371 CD ARG A 26 7.467 -18.420 -14.389 1.00 0.00 C ATOM 372 NE ARG A 26 6.094 -18.492 -13.895 1.00 0.00 N ATOM 373 CZ ARG A 26 5.069 -18.908 -14.629 1.00 0.00 C ATOM 374 NH1 ARG A 26 5.260 -19.288 -15.885 1.00 0.00 N ATOM 375 NH2 ARG A 26 3.849 -18.945 -14.108 1.00 0.00 N ATOM 0 H ARG A 26 9.699 -15.152 -14.255 1.00 0.00 H new ATOM 0 HA ARG A 26 10.649 -16.885 -12.097 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.758 -17.382 -14.964 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.318 -18.645 -13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.436 -18.459 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.041 -16.849 -13.043 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.494 -17.818 -15.297 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.808 -19.420 -14.659 1.00 0.00 H new ATOM 0 HE ARG A 26 5.913 -18.207 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.196 -19.261 -16.289 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.471 -19.607 -16.447 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.698 -18.654 -13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.063 -19.265 -14.673 1.00 0.00 H new ATOM 389 N LYS A 27 12.343 -16.340 -14.893 1.00 0.00 N ATOM 390 CA LYS A 27 13.680 -16.363 -15.474 1.00 0.00 C ATOM 391 C LYS A 27 14.638 -15.488 -14.670 1.00 0.00 C ATOM 392 O LYS A 27 15.763 -15.891 -14.374 1.00 0.00 O ATOM 393 CB LYS A 27 13.636 -15.885 -16.927 1.00 0.00 C ATOM 394 CG LYS A 27 12.983 -14.525 -17.100 1.00 0.00 C ATOM 395 CD LYS A 27 12.515 -14.309 -18.530 1.00 0.00 C ATOM 396 CE LYS A 27 13.689 -14.176 -19.487 1.00 0.00 C ATOM 397 NZ LYS A 27 14.164 -12.768 -19.589 1.00 0.00 N ATOM 0 H LYS A 27 11.615 -16.004 -15.524 1.00 0.00 H new ATOM 0 HA LYS A 27 14.043 -17.391 -15.446 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.653 -15.843 -17.318 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.094 -16.618 -17.525 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.134 -14.439 -16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.691 -13.743 -16.826 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.886 -15.144 -18.838 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.899 -13.411 -18.581 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.507 -14.812 -19.149 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.395 -14.533 -20.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.965 -12.719 -20.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.391 -12.165 -19.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.468 -12.436 -18.652 1.00 0.00 H new ATOM 411 N THR A 28 14.183 -14.290 -14.317 1.00 0.00 N ATOM 412 CA THR A 28 14.999 -13.359 -13.547 1.00 0.00 C ATOM 413 C THR A 28 14.615 -13.382 -12.072 1.00 0.00 C ATOM 414 O THR A 28 13.622 -14.000 -11.689 1.00 0.00 O ATOM 415 CB THR A 28 14.862 -11.920 -14.079 1.00 0.00 C ATOM 416 OG1 THR A 28 13.492 -11.507 -14.030 1.00 0.00 O ATOM 417 CG2 THR A 28 15.376 -11.820 -15.507 1.00 0.00 C ATOM 0 H THR A 28 13.254 -13.941 -14.552 1.00 0.00 H new ATOM 0 HA THR A 28 16.035 -13.682 -13.655 1.00 0.00 H new ATOM 0 HB THR A 28 15.461 -11.264 -13.447 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.442 -10.531 -14.102 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.269 -10.795 -15.861 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.427 -12.106 -15.536 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.800 -12.487 -16.148 1.00 0.00 H new ATOM 425 N ARG A 29 15.409 -12.705 -11.249 1.00 0.00 N ATOM 426 CA ARG A 29 15.152 -12.649 -9.815 1.00 0.00 C ATOM 427 C ARG A 29 14.401 -11.372 -9.447 1.00 0.00 C ATOM 428 O ARG A 29 13.998 -11.187 -8.298 1.00 0.00 O ATOM 429 CB ARG A 29 16.467 -12.722 -9.036 1.00 0.00 C ATOM 430 CG ARG A 29 16.291 -13.122 -7.580 1.00 0.00 C ATOM 431 CD ARG A 29 17.600 -13.023 -6.813 1.00 0.00 C ATOM 432 NE ARG A 29 17.929 -11.642 -6.470 1.00 0.00 N ATOM 433 CZ ARG A 29 19.137 -11.250 -6.081 1.00 0.00 C ATOM 434 NH1 ARG A 29 20.125 -12.129 -5.987 1.00 0.00 N ATOM 435 NH2 ARG A 29 19.359 -9.975 -5.785 1.00 0.00 N ATOM 0 H ARG A 29 16.235 -12.188 -11.550 1.00 0.00 H new ATOM 0 HA ARG A 29 14.532 -13.505 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.129 -13.438 -9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.960 -11.751 -9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.545 -12.479 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.912 -14.143 -7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.532 -13.617 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.405 -13.449 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 29 17.191 -10.941 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.959 -13.109 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.052 -11.825 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.602 -9.296 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.287 -9.675 -5.486 1.00 0.00 H new ATOM 449 N TRP A 30 14.218 -10.496 -10.428 1.00 0.00 N ATOM 450 CA TRP A 30 13.517 -9.237 -10.207 1.00 0.00 C ATOM 451 C TRP A 30 12.080 -9.317 -10.712 1.00 0.00 C ATOM 452 O TRP A 30 11.793 -10.011 -11.688 1.00 0.00 O ATOM 453 CB TRP A 30 14.252 -8.090 -10.903 1.00 0.00 C ATOM 454 CG TRP A 30 14.546 -8.364 -12.347 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.637 -8.529 -13.352 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.839 -8.507 -12.946 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.286 -8.766 -14.540 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.637 -8.757 -14.318 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.147 -8.446 -12.458 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.695 -8.946 -15.203 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.196 -8.635 -13.337 1.00 0.00 C ATOM 462 CH2 TRP A 30 17.965 -8.881 -14.697 1.00 0.00 C ATOM 0 H TRP A 30 14.545 -10.634 -11.384 1.00 0.00 H new ATOM 0 HA TRP A 30 13.495 -9.047 -9.134 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.651 -7.184 -10.827 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.188 -7.897 -10.379 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.565 -8.480 -13.231 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.834 -8.923 -15.441 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.335 -8.254 -11.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.520 -9.137 -16.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.211 -8.592 -12.970 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.806 -9.022 -15.359 1.00 0.00 H new ATOM 473 N CYS A 31 11.181 -8.604 -10.043 1.00 0.00 N ATOM 474 CA CYS A 31 9.774 -8.595 -10.424 1.00 0.00 C ATOM 475 C CYS A 31 9.600 -8.087 -11.852 1.00 0.00 C ATOM 476 O CYS A 31 10.292 -7.164 -12.282 1.00 0.00 O ATOM 477 CB CYS A 31 8.968 -7.723 -9.459 1.00 0.00 C ATOM 478 SG CYS A 31 7.342 -8.412 -9.014 1.00 0.00 S ATOM 0 H CYS A 31 11.402 -8.024 -9.233 1.00 0.00 H new ATOM 0 HA CYS A 31 9.404 -9.619 -10.374 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.549 -7.575 -8.549 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.823 -6.741 -9.909 1.00 0.00 H new ATOM 483 N ALA A 32 8.672 -8.696 -12.582 1.00 0.00 N ATOM 484 CA ALA A 32 8.405 -8.304 -13.961 1.00 0.00 C ATOM 485 C ALA A 32 6.914 -8.368 -14.271 1.00 0.00 C ATOM 486 O ALA A 32 6.100 -8.670 -13.397 1.00 0.00 O ATOM 487 CB ALA A 32 9.185 -9.191 -14.921 1.00 0.00 C ATOM 0 H ALA A 32 8.092 -9.463 -12.242 1.00 0.00 H new ATOM 0 HA ALA A 32 8.731 -7.272 -14.090 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.977 -8.888 -15.947 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.252 -9.092 -14.723 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.885 -10.230 -14.782 1.00 0.00 H new ATOM 493 N TYR A 33 6.561 -8.082 -15.519 1.00 0.00 N ATOM 494 CA TYR A 33 5.167 -8.104 -15.944 1.00 0.00 C ATOM 495 C TYR A 33 4.950 -9.134 -17.049 1.00 0.00 C ATOM 496 O TYR A 33 5.624 -9.106 -18.078 1.00 0.00 O ATOM 497 CB TYR A 33 4.738 -6.719 -16.431 1.00 0.00 C ATOM 498 CG TYR A 33 3.422 -6.719 -17.175 1.00 0.00 C ATOM 499 CD1 TYR A 33 2.345 -7.470 -16.721 1.00 0.00 C ATOM 500 CD2 TYR A 33 3.255 -5.967 -18.331 1.00 0.00 C ATOM 501 CE1 TYR A 33 1.141 -7.474 -17.398 1.00 0.00 C ATOM 502 CE2 TYR A 33 2.055 -5.964 -19.014 1.00 0.00 C ATOM 503 CZ TYR A 33 1.000 -6.719 -18.544 1.00 0.00 C ATOM 504 OH TYR A 33 -0.198 -6.719 -19.221 1.00 0.00 O ATOM 0 H TYR A 33 7.222 -7.832 -16.255 1.00 0.00 H new ATOM 0 HA TYR A 33 4.557 -8.385 -15.086 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.661 -6.050 -15.574 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.514 -6.316 -17.082 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.451 -8.061 -15.823 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.078 -5.374 -18.702 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.314 -8.065 -17.032 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.943 -5.374 -19.911 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.131 -6.135 -20.005 1.00 0.00 H new ATOM 514 N GLN A 34 4.003 -10.040 -16.827 1.00 0.00 N ATOM 515 CA GLN A 34 3.696 -11.078 -17.803 1.00 0.00 C ATOM 516 C GLN A 34 2.308 -10.872 -18.400 1.00 0.00 C ATOM 517 O GLN A 34 1.351 -10.577 -17.683 1.00 0.00 O ATOM 518 CB GLN A 34 3.785 -12.460 -17.154 1.00 0.00 C ATOM 519 CG GLN A 34 2.741 -12.693 -16.073 1.00 0.00 C ATOM 520 CD GLN A 34 1.418 -13.175 -16.634 1.00 0.00 C ATOM 521 OE1 GLN A 34 1.360 -13.724 -17.734 1.00 0.00 O ATOM 522 NE2 GLN A 34 0.345 -12.971 -15.878 1.00 0.00 N ATOM 0 H GLN A 34 3.436 -10.076 -15.980 1.00 0.00 H new ATOM 0 HA GLN A 34 4.430 -11.014 -18.607 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.674 -13.222 -17.925 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.778 -12.586 -16.722 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.118 -13.427 -15.361 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.582 -11.766 -15.521 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.439 -12.512 -14.972 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.573 -13.274 -16.203 1.00 0.00 H new ATOM 531 N ILE A 35 2.205 -11.028 -19.715 1.00 0.00 N ATOM 532 CA ILE A 35 0.934 -10.859 -20.407 1.00 0.00 C ATOM 533 C ILE A 35 0.106 -12.139 -20.356 1.00 0.00 C ATOM 534 O ILE A 35 -1.115 -12.109 -20.513 1.00 0.00 O ATOM 535 CB ILE A 35 1.142 -10.455 -21.879 1.00 0.00 C ATOM 536 CG1 ILE A 35 -0.192 -10.064 -22.517 1.00 0.00 C ATOM 537 CG2 ILE A 35 1.794 -11.591 -22.653 1.00 0.00 C ATOM 538 CD1 ILE A 35 -0.041 -9.206 -23.754 1.00 0.00 C ATOM 0 H ILE A 35 2.987 -11.271 -20.323 1.00 0.00 H new ATOM 0 HA ILE A 35 0.399 -10.061 -19.892 1.00 0.00 H new ATOM 0 HB ILE A 35 1.806 -9.591 -21.913 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.740 -10.969 -22.777 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.793 -9.527 -21.783 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.934 -11.290 -23.691 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.762 -11.825 -22.209 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.154 -12.472 -22.614 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.027 -8.967 -24.153 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.480 -8.284 -23.496 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.533 -9.748 -24.505 1.00 0.00 H new TER 550 ILE A 35