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 -175:sc= 1.15 USER MOD Single : A 1 GLU N :NH3+ -130:sc= -0.122 (180deg=-0.802) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.72) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.15) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 18 LYS NZ :NH3+ -148:sc= -0.766 (180deg=-1.93!) 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+ 179:sc= 0 (180deg=-0.00623) 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= -0.136 K(o=-0.14,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.875 0.123 -0.104 1.00 0.00 N ATOM 2 CA GLU A 1 2.657 0.190 -1.333 1.00 0.00 C ATOM 3 C GLU A 1 3.285 -1.163 -1.653 1.00 0.00 C ATOM 4 O GLU A 1 3.520 -1.978 -0.760 1.00 0.00 O ATOM 5 CB GLU A 1 3.749 1.255 -1.212 1.00 0.00 C ATOM 6 CG GLU A 1 3.209 2.654 -0.963 1.00 0.00 C ATOM 7 CD GLU A 1 2.726 3.327 -2.233 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.799 2.789 -2.874 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.275 4.392 -2.585 1.00 0.00 O ATOM 0 H1 GLU A 1 0.932 0.528 -0.270 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.779 -0.869 0.193 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.356 0.663 0.644 1.00 0.00 H new ATOM 0 HA GLU A 1 1.984 0.461 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.421 0.984 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.342 1.261 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.387 2.600 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.988 3.264 -0.506 1.00 0.00 H new ATOM 16 N CYS A 2 3.555 -1.396 -2.933 1.00 0.00 N ATOM 17 CA CYS A 2 4.154 -2.650 -3.373 1.00 0.00 C ATOM 18 C CYS A 2 5.510 -2.404 -4.030 1.00 0.00 C ATOM 19 O CYS A 2 5.977 -1.267 -4.107 1.00 0.00 O ATOM 20 CB CYS A 2 3.224 -3.368 -4.352 1.00 0.00 C ATOM 21 SG CYS A 2 2.759 -2.371 -5.804 1.00 0.00 S ATOM 0 H CYS A 2 3.368 -0.732 -3.684 1.00 0.00 H new ATOM 0 HA CYS A 2 4.303 -3.280 -2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.709 -4.283 -4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.318 -3.666 -3.824 1.00 0.00 H new ATOM 26 N LEU A 3 6.135 -3.476 -4.502 1.00 0.00 N ATOM 27 CA LEU A 3 7.437 -3.378 -5.152 1.00 0.00 C ATOM 28 C LEU A 3 7.300 -2.810 -6.562 1.00 0.00 C ATOM 29 O LEU A 3 6.198 -2.729 -7.103 1.00 0.00 O ATOM 30 CB LEU A 3 8.107 -4.752 -5.207 1.00 0.00 C ATOM 31 CG LEU A 3 8.949 -5.137 -3.990 1.00 0.00 C ATOM 32 CD1 LEU A 3 8.402 -4.478 -2.733 1.00 0.00 C ATOM 33 CD2 LEU A 3 8.991 -6.649 -3.827 1.00 0.00 C ATOM 0 H LEU A 3 5.761 -4.424 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 3 8.058 -2.701 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.332 -5.507 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.744 -4.788 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 3 9.967 -4.781 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.014 -4.763 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.425 -3.395 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.375 -4.803 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.595 -6.904 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.978 -7.029 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.430 -7.099 -4.717 1.00 0.00 H new ATOM 45 N GLU A 4 8.427 -2.421 -7.150 1.00 0.00 N ATOM 46 CA GLU A 4 8.432 -1.863 -8.497 1.00 0.00 C ATOM 47 C GLU A 4 9.090 -2.824 -9.482 1.00 0.00 C ATOM 48 O GLU A 4 9.667 -3.837 -9.085 1.00 0.00 O ATOM 49 CB GLU A 4 9.162 -0.518 -8.513 1.00 0.00 C ATOM 50 CG GLU A 4 8.487 0.531 -9.379 1.00 0.00 C ATOM 51 CD GLU A 4 7.044 0.775 -8.982 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.816 1.417 -7.936 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.142 0.323 -9.719 1.00 0.00 O ATOM 0 H GLU A 4 9.348 -2.482 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 4 7.397 -1.710 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.235 -0.142 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.180 -0.671 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.042 1.466 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.525 0.215 -10.422 1.00 0.00 H new ATOM 60 N ILE A 5 9.000 -2.499 -10.767 1.00 0.00 N ATOM 61 CA ILE A 5 9.587 -3.332 -11.809 1.00 0.00 C ATOM 62 C ILE A 5 11.108 -3.361 -11.697 1.00 0.00 C ATOM 63 O ILE A 5 11.736 -2.356 -11.364 1.00 0.00 O ATOM 64 CB ILE A 5 9.196 -2.837 -13.213 1.00 0.00 C ATOM 65 CG1 ILE A 5 7.776 -3.289 -13.560 1.00 0.00 C ATOM 66 CG2 ILE A 5 10.187 -3.344 -14.249 1.00 0.00 C ATOM 67 CD1 ILE A 5 7.642 -4.787 -13.725 1.00 0.00 C ATOM 0 H ILE A 5 8.526 -1.664 -11.112 1.00 0.00 H new ATOM 0 HA ILE A 5 9.195 -4.339 -11.666 1.00 0.00 H new ATOM 0 HB ILE A 5 9.222 -1.747 -13.218 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.096 -2.956 -12.776 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.463 -2.801 -14.483 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.897 -2.985 -15.236 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.185 -2.977 -14.009 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.191 -4.434 -14.246 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.609 -5.035 -13.970 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.297 -5.125 -14.528 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.923 -5.282 -12.796 1.00 0.00 H new ATOM 79 N PHE A 6 11.694 -4.520 -11.981 1.00 0.00 N ATOM 80 CA PHE A 6 13.142 -4.680 -11.914 1.00 0.00 C ATOM 81 C PHE A 6 13.640 -4.528 -10.479 1.00 0.00 C ATOM 82 O PHE A 6 14.827 -4.300 -10.243 1.00 0.00 O ATOM 83 CB PHE A 6 13.832 -3.656 -12.817 1.00 0.00 C ATOM 84 CG PHE A 6 14.329 -4.235 -14.110 1.00 0.00 C ATOM 85 CD1 PHE A 6 15.290 -5.233 -14.114 1.00 0.00 C ATOM 86 CD2 PHE A 6 13.835 -3.781 -15.323 1.00 0.00 C ATOM 87 CE1 PHE A 6 15.749 -5.769 -15.302 1.00 0.00 C ATOM 88 CE2 PHE A 6 14.290 -4.314 -16.514 1.00 0.00 C ATOM 89 CZ PHE A 6 15.249 -5.308 -16.504 1.00 0.00 C ATOM 0 H PHE A 6 11.189 -5.361 -12.259 1.00 0.00 H new ATOM 0 HA PHE A 6 13.388 -5.684 -12.261 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.134 -2.847 -13.035 1.00 0.00 H new ATOM 0 HB3 PHE A 6 14.672 -3.216 -12.279 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.685 -5.597 -13.177 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.087 -3.002 -15.337 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.498 -6.547 -15.291 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.896 -3.953 -17.453 1.00 0.00 H new ATOM 0 HZ PHE A 6 15.607 -5.724 -17.434 1.00 0.00 H new ATOM 99 N LYS A 7 12.725 -4.656 -9.525 1.00 0.00 N ATOM 100 CA LYS A 7 13.068 -4.534 -8.113 1.00 0.00 C ATOM 101 C LYS A 7 13.208 -5.909 -7.466 1.00 0.00 C ATOM 102 O LYS A 7 12.542 -6.863 -7.866 1.00 0.00 O ATOM 103 CB LYS A 7 12.004 -3.718 -7.377 1.00 0.00 C ATOM 104 CG LYS A 7 12.548 -2.935 -6.194 1.00 0.00 C ATOM 105 CD LYS A 7 11.593 -2.972 -5.013 1.00 0.00 C ATOM 106 CE LYS A 7 11.628 -1.671 -4.226 1.00 0.00 C ATOM 107 NZ LYS A 7 12.801 -1.608 -3.311 1.00 0.00 N ATOM 0 H LYS A 7 11.739 -4.844 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 7 14.026 -4.019 -8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.540 -3.025 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.220 -4.390 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.512 -3.347 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.721 -1.900 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.579 -3.156 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.856 -3.802 -4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.661 -0.829 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.710 -1.572 -3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.789 -0.706 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.756 -2.397 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.678 -1.677 -3.866 1.00 0.00 H new ATOM 121 N ALA A 8 14.076 -6.001 -6.464 1.00 0.00 N ATOM 122 CA ALA A 8 14.299 -7.257 -5.760 1.00 0.00 C ATOM 123 C ALA A 8 12.980 -7.877 -5.312 1.00 0.00 C ATOM 124 O ALA A 8 12.207 -7.257 -4.581 1.00 0.00 O ATOM 125 CB ALA A 8 15.214 -7.037 -4.565 1.00 0.00 C ATOM 0 H ALA A 8 14.636 -5.220 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 8 14.781 -7.951 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.372 -7.984 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.172 -6.646 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.755 -6.323 -3.881 1.00 0.00 H new ATOM 131 N CYS A 9 12.728 -9.104 -5.755 1.00 0.00 N ATOM 132 CA CYS A 9 11.502 -9.809 -5.400 1.00 0.00 C ATOM 133 C CYS A 9 11.813 -11.097 -4.643 1.00 0.00 C ATOM 134 O CYS A 9 12.947 -11.575 -4.652 1.00 0.00 O ATOM 135 CB CYS A 9 10.690 -10.127 -6.658 1.00 0.00 C ATOM 136 SG CYS A 9 8.889 -9.963 -6.441 1.00 0.00 S ATOM 0 H CYS A 9 13.357 -9.631 -6.361 1.00 0.00 H new ATOM 0 HA CYS A 9 10.915 -9.160 -4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.010 -9.464 -7.462 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.916 -11.145 -6.976 1.00 0.00 H new ATOM 141 N ASN A 10 10.799 -11.652 -3.989 1.00 0.00 N ATOM 142 CA ASN A 10 10.964 -12.885 -3.227 1.00 0.00 C ATOM 143 C ASN A 10 9.789 -13.830 -3.458 1.00 0.00 C ATOM 144 O ASN A 10 8.683 -13.412 -3.804 1.00 0.00 O ATOM 145 CB ASN A 10 11.095 -12.572 -1.735 1.00 0.00 C ATOM 146 CG ASN A 10 11.812 -11.260 -1.480 1.00 0.00 C ATOM 147 OD1 ASN A 10 13.022 -11.235 -1.252 1.00 0.00 O ATOM 148 ND2 ASN A 10 11.067 -10.162 -1.516 1.00 0.00 N ATOM 0 H ASN A 10 9.854 -11.268 -3.971 1.00 0.00 H new ATOM 0 HA ASN A 10 11.874 -13.376 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.102 -12.534 -1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.636 -13.380 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.494 -9.250 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.068 -10.230 -1.709 1.00 0.00 H new ATOM 155 N PRO A 11 10.031 -15.134 -3.263 1.00 0.00 N ATOM 156 CA PRO A 11 9.006 -16.166 -3.444 1.00 0.00 C ATOM 157 C PRO A 11 7.927 -16.105 -2.368 1.00 0.00 C ATOM 158 O PRO A 11 6.740 -16.258 -2.657 1.00 0.00 O ATOM 159 CB PRO A 11 9.795 -17.473 -3.337 1.00 0.00 C ATOM 160 CG PRO A 11 10.988 -17.129 -2.514 1.00 0.00 C ATOM 161 CD PRO A 11 11.326 -15.703 -2.850 1.00 0.00 C ATOM 0 HA PRO A 11 8.473 -16.051 -4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.201 -18.256 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.086 -17.842 -4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.774 -17.239 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.823 -17.792 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.741 -15.175 -1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.065 -15.643 -3.649 1.00 0.00 H new ATOM 169 N SER A 12 8.346 -15.880 -1.127 1.00 0.00 N ATOM 170 CA SER A 12 7.416 -15.802 -0.008 1.00 0.00 C ATOM 171 C SER A 12 7.120 -14.350 0.353 1.00 0.00 C ATOM 172 O SER A 12 6.027 -14.024 0.814 1.00 0.00 O ATOM 173 CB SER A 12 7.985 -16.536 1.208 1.00 0.00 C ATOM 174 OG SER A 12 7.494 -17.864 1.278 1.00 0.00 O ATOM 0 H SER A 12 9.325 -15.748 -0.871 1.00 0.00 H new ATOM 0 HA SER A 12 6.484 -16.280 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.073 -16.550 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.720 -15.998 2.118 1.00 0.00 H new ATOM 0 HG SER A 12 7.874 -18.312 2.062 1.00 0.00 H new ATOM 180 N ASN A 13 8.103 -13.482 0.140 1.00 0.00 N ATOM 181 CA ASN A 13 7.950 -12.063 0.443 1.00 0.00 C ATOM 182 C ASN A 13 7.700 -11.259 -0.829 1.00 0.00 C ATOM 183 O ASN A 13 8.294 -10.200 -1.034 1.00 0.00 O ATOM 184 CB ASN A 13 9.196 -11.535 1.156 1.00 0.00 C ATOM 185 CG ASN A 13 8.950 -10.205 1.842 1.00 0.00 C ATOM 186 OD1 ASN A 13 9.678 -9.237 1.623 1.00 0.00 O ATOM 187 ND2 ASN A 13 7.919 -10.153 2.678 1.00 0.00 N ATOM 0 H ASN A 13 9.014 -13.736 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 13 7.088 -11.949 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.526 -12.266 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.005 -11.424 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.704 -9.285 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.342 -10.981 2.829 1.00 0.00 H new ATOM 194 N ASP A 14 6.817 -11.769 -1.681 1.00 0.00 N ATOM 195 CA ASP A 14 6.486 -11.098 -2.932 1.00 0.00 C ATOM 196 C ASP A 14 5.623 -9.866 -2.677 1.00 0.00 C ATOM 197 O ASP A 14 4.414 -9.887 -2.902 1.00 0.00 O ATOM 198 CB ASP A 14 5.758 -12.059 -3.874 1.00 0.00 C ATOM 199 CG ASP A 14 4.632 -12.803 -3.185 1.00 0.00 C ATOM 200 OD1 ASP A 14 4.926 -13.703 -2.370 1.00 0.00 O ATOM 201 OD2 ASP A 14 3.455 -12.487 -3.461 1.00 0.00 O ATOM 0 H ASP A 14 6.318 -12.645 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 14 7.417 -10.777 -3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.356 -11.500 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.471 -12.778 -4.277 1.00 0.00 H new ATOM 206 N GLN A 15 6.254 -8.796 -2.206 1.00 0.00 N ATOM 207 CA GLN A 15 5.544 -7.556 -1.918 1.00 0.00 C ATOM 208 C GLN A 15 5.011 -6.924 -3.200 1.00 0.00 C ATOM 209 O GLN A 15 4.151 -6.044 -3.160 1.00 0.00 O ATOM 210 CB GLN A 15 6.464 -6.571 -1.195 1.00 0.00 C ATOM 211 CG GLN A 15 6.499 -6.767 0.312 1.00 0.00 C ATOM 212 CD GLN A 15 7.400 -5.767 1.010 1.00 0.00 C ATOM 213 OE1 GLN A 15 8.572 -5.620 0.661 1.00 0.00 O ATOM 214 NE2 GLN A 15 6.857 -5.072 2.002 1.00 0.00 N ATOM 0 H GLN A 15 7.256 -8.763 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 15 4.699 -7.793 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.475 -6.673 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.138 -5.554 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.488 -6.679 0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.842 -7.777 0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.882 -5.226 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.415 -4.384 2.508 1.00 0.00 H new ATOM 223 N CYS A 16 5.529 -7.378 -4.337 1.00 0.00 N ATOM 224 CA CYS A 16 5.107 -6.857 -5.632 1.00 0.00 C ATOM 225 C CYS A 16 3.586 -6.877 -5.757 1.00 0.00 C ATOM 226 O CYS A 16 2.923 -7.788 -5.260 1.00 0.00 O ATOM 227 CB CYS A 16 5.733 -7.674 -6.763 1.00 0.00 C ATOM 228 SG CYS A 16 6.568 -6.670 -8.032 1.00 0.00 S ATOM 0 H CYS A 16 6.242 -8.106 -4.388 1.00 0.00 H new ATOM 0 HA CYS A 16 5.447 -5.824 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.453 -8.373 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.955 -8.269 -7.240 1.00 0.00 H new ATOM 233 N CYS A 17 3.039 -5.866 -6.424 1.00 0.00 N ATOM 234 CA CYS A 17 1.597 -5.767 -6.615 1.00 0.00 C ATOM 235 C CYS A 17 1.068 -6.965 -7.398 1.00 0.00 C ATOM 236 O CYS A 17 1.103 -6.982 -8.628 1.00 0.00 O ATOM 237 CB CYS A 17 1.248 -4.470 -7.348 1.00 0.00 C ATOM 238 SG CYS A 17 0.855 -3.075 -6.245 1.00 0.00 S ATOM 0 H CYS A 17 3.573 -5.104 -6.841 1.00 0.00 H new ATOM 0 HA CYS A 17 1.125 -5.761 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.086 -4.189 -7.987 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.396 -4.653 -8.002 1.00 0.00 H new ATOM 243 N LYS A 18 0.578 -7.966 -6.675 1.00 0.00 N ATOM 244 CA LYS A 18 0.040 -9.169 -7.300 1.00 0.00 C ATOM 245 C LYS A 18 -1.441 -8.997 -7.626 1.00 0.00 C ATOM 246 O LYS A 18 -2.081 -9.909 -8.148 1.00 0.00 O ATOM 247 CB LYS A 18 0.233 -10.377 -6.380 1.00 0.00 C ATOM 248 CG LYS A 18 1.585 -11.050 -6.536 1.00 0.00 C ATOM 249 CD LYS A 18 1.527 -12.192 -7.536 1.00 0.00 C ATOM 250 CE LYS A 18 2.419 -13.350 -7.112 1.00 0.00 C ATOM 251 NZ LYS A 18 3.812 -12.904 -6.834 1.00 0.00 N ATOM 0 H LYS A 18 0.542 -7.968 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 18 0.582 -9.338 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.113 -10.058 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.552 -11.106 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.322 -10.316 -6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.918 -11.428 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.499 -12.540 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.836 -11.833 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.004 -13.821 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.430 -14.106 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.476 -13.666 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.027 -12.061 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.908 -12.673 -5.825 1.00 0.00 H new ATOM 265 N SER A 19 -1.977 -7.821 -7.316 1.00 0.00 N ATOM 266 CA SER A 19 -3.383 -7.530 -7.575 1.00 0.00 C ATOM 267 C SER A 19 -3.550 -6.786 -8.896 1.00 0.00 C ATOM 268 O SER A 19 -4.638 -6.753 -9.469 1.00 0.00 O ATOM 269 CB SER A 19 -3.972 -6.702 -6.432 1.00 0.00 C ATOM 270 OG SER A 19 -5.333 -7.030 -6.213 1.00 0.00 O ATOM 0 H SER A 19 -1.460 -7.054 -6.885 1.00 0.00 H new ATOM 0 HA SER A 19 -3.918 -8.477 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.401 -6.877 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.883 -5.641 -6.664 1.00 0.00 H new ATOM 0 HG SER A 19 -5.686 -6.488 -5.476 1.00 0.00 H new ATOM 276 N SER A 20 -2.462 -6.189 -9.373 1.00 0.00 N ATOM 277 CA SER A 20 -2.487 -5.442 -10.625 1.00 0.00 C ATOM 278 C SER A 20 -1.967 -6.294 -11.778 1.00 0.00 C ATOM 279 O SER A 20 -2.743 -6.879 -12.534 1.00 0.00 O ATOM 280 CB SER A 20 -1.650 -4.167 -10.499 1.00 0.00 C ATOM 281 OG SER A 20 -2.455 -3.064 -10.121 1.00 0.00 O ATOM 0 H SER A 20 -1.553 -6.208 -8.911 1.00 0.00 H new ATOM 0 HA SER A 20 -3.521 -5.170 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.863 -4.317 -9.760 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.160 -3.955 -11.449 1.00 0.00 H new ATOM 0 HG SER A 20 -1.897 -2.262 -10.046 1.00 0.00 H new ATOM 287 N LYS A 21 -0.646 -6.361 -11.906 1.00 0.00 N ATOM 288 CA LYS A 21 -0.018 -7.142 -12.965 1.00 0.00 C ATOM 289 C LYS A 21 1.466 -7.352 -12.680 1.00 0.00 C ATOM 290 O LYS A 21 2.246 -7.650 -13.585 1.00 0.00 O ATOM 291 CB LYS A 21 -0.196 -6.445 -14.316 1.00 0.00 C ATOM 292 CG LYS A 21 0.060 -4.949 -14.266 1.00 0.00 C ATOM 293 CD LYS A 21 -1.239 -4.160 -14.306 1.00 0.00 C ATOM 294 CE LYS A 21 -1.591 -3.738 -15.724 1.00 0.00 C ATOM 295 NZ LYS A 21 -2.184 -4.859 -16.505 1.00 0.00 N ATOM 0 H LYS A 21 0.011 -5.883 -11.289 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.504 -8.117 -13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.481 -6.897 -15.041 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.210 -6.620 -14.675 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.609 -4.703 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.690 -4.658 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.047 -4.765 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.149 -3.276 -13.674 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.295 -2.906 -15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.695 -3.378 -16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.426 -4.527 -17.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.497 -5.637 -16.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.044 -5.197 -16.028 1.00 0.00 H new ATOM 309 N LEU A 22 1.849 -7.195 -11.418 1.00 0.00 N ATOM 310 CA LEU A 22 3.240 -7.368 -11.013 1.00 0.00 C ATOM 311 C LEU A 22 3.441 -8.711 -10.318 1.00 0.00 C ATOM 312 O LEU A 22 2.680 -9.079 -9.423 1.00 0.00 O ATOM 313 CB LEU A 22 3.667 -6.230 -10.085 1.00 0.00 C ATOM 314 CG LEU A 22 3.164 -4.835 -10.458 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.929 -3.769 -9.689 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.289 -4.606 -11.957 1.00 0.00 C ATOM 0 H LEU A 22 1.216 -6.948 -10.657 1.00 0.00 H new ATOM 0 HA LEU A 22 3.860 -7.348 -11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.322 -6.461 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.756 -6.205 -10.051 1.00 0.00 H new ATOM 0 HG LEU A 22 2.111 -4.765 -10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.558 -2.783 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.789 -3.921 -8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.990 -3.838 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.926 -3.608 -12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.334 -4.696 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.696 -5.350 -12.489 1.00 0.00 H new ATOM 328 N VAL A 23 4.474 -9.438 -10.733 1.00 0.00 N ATOM 329 CA VAL A 23 4.778 -10.738 -10.147 1.00 0.00 C ATOM 330 C VAL A 23 6.266 -11.051 -10.249 1.00 0.00 C ATOM 331 O VAL A 23 6.903 -10.775 -11.266 1.00 0.00 O ATOM 332 CB VAL A 23 3.980 -11.863 -10.833 1.00 0.00 C ATOM 333 CG1 VAL A 23 4.173 -11.812 -12.341 1.00 0.00 C ATOM 334 CG2 VAL A 23 4.389 -13.219 -10.280 1.00 0.00 C ATOM 0 H VAL A 23 5.114 -9.149 -11.473 1.00 0.00 H new ATOM 0 HA VAL A 23 4.491 -10.687 -9.097 1.00 0.00 H new ATOM 0 HB VAL A 23 2.921 -11.715 -10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.602 -12.614 -12.808 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.826 -10.851 -12.720 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.230 -11.934 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.815 -14.002 -10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.452 -13.379 -10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.193 -13.249 -9.208 1.00 0.00 H new ATOM 344 N CYS A 24 6.817 -11.631 -9.187 1.00 0.00 N ATOM 345 CA CYS A 24 8.231 -11.983 -9.155 1.00 0.00 C ATOM 346 C CYS A 24 8.600 -12.862 -10.347 1.00 0.00 C ATOM 347 O CYS A 24 8.249 -14.041 -10.394 1.00 0.00 O ATOM 348 CB CYS A 24 8.568 -12.707 -7.850 1.00 0.00 C ATOM 349 SG CYS A 24 8.092 -11.792 -6.348 1.00 0.00 S ATOM 0 H CYS A 24 6.305 -11.867 -8.337 1.00 0.00 H new ATOM 0 HA CYS A 24 8.811 -11.062 -9.212 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.069 -13.676 -7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.640 -12.900 -7.820 1.00 0.00 H new ATOM 354 N SER A 25 9.310 -12.279 -11.307 1.00 0.00 N ATOM 355 CA SER A 25 9.724 -13.008 -12.501 1.00 0.00 C ATOM 356 C SER A 25 10.403 -14.322 -12.127 1.00 0.00 C ATOM 357 O SER A 25 11.145 -14.393 -11.148 1.00 0.00 O ATOM 358 CB SER A 25 10.673 -12.152 -13.343 1.00 0.00 C ATOM 359 OG SER A 25 10.465 -12.373 -14.727 1.00 0.00 O ATOM 0 H SER A 25 9.611 -11.305 -11.282 1.00 0.00 H new ATOM 0 HA SER A 25 8.833 -13.234 -13.087 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.519 -11.098 -13.112 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.706 -12.387 -13.085 1.00 0.00 H new ATOM 0 HG SER A 25 11.082 -11.814 -15.244 1.00 0.00 H new ATOM 365 N ARG A 26 10.143 -15.360 -12.916 1.00 0.00 N ATOM 366 CA ARG A 26 10.727 -16.673 -12.668 1.00 0.00 C ATOM 367 C ARG A 26 12.152 -16.745 -13.210 1.00 0.00 C ATOM 368 O ARG A 26 13.088 -17.078 -12.483 1.00 0.00 O ATOM 369 CB ARG A 26 9.870 -17.765 -13.310 1.00 0.00 C ATOM 370 CG ARG A 26 9.973 -19.110 -12.611 1.00 0.00 C ATOM 371 CD ARG A 26 9.141 -19.142 -11.338 1.00 0.00 C ATOM 372 NE ARG A 26 8.675 -20.490 -11.023 1.00 0.00 N ATOM 373 CZ ARG A 26 7.671 -20.744 -10.191 1.00 0.00 C ATOM 374 NH1 ARG A 26 7.031 -19.748 -9.595 1.00 0.00 N ATOM 375 NH2 ARG A 26 7.305 -21.997 -9.954 1.00 0.00 N ATOM 0 H ARG A 26 9.532 -15.317 -13.732 1.00 0.00 H new ATOM 0 HA ARG A 26 10.758 -16.832 -11.590 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.828 -17.444 -13.310 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.168 -17.883 -14.352 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.638 -19.898 -13.285 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.016 -19.317 -12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.734 -18.760 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.283 -18.478 -11.449 1.00 0.00 H new ATOM 0 HE ARG A 26 9.146 -21.279 -11.466 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.309 -18.783 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.261 -19.946 -8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.795 -22.766 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.534 -22.191 -9.315 1.00 0.00 H new ATOM 389 N LYS A 27 12.309 -16.431 -14.491 1.00 0.00 N ATOM 390 CA LYS A 27 13.618 -16.459 -15.131 1.00 0.00 C ATOM 391 C LYS A 27 14.615 -15.592 -14.369 1.00 0.00 C ATOM 392 O LYS A 27 15.691 -16.054 -13.987 1.00 0.00 O ATOM 393 CB LYS A 27 13.511 -15.977 -16.580 1.00 0.00 C ATOM 394 CG LYS A 27 12.505 -16.758 -17.408 1.00 0.00 C ATOM 395 CD LYS A 27 13.067 -18.098 -17.850 1.00 0.00 C ATOM 396 CE LYS A 27 12.676 -19.211 -16.891 1.00 0.00 C ATOM 397 NZ LYS A 27 13.708 -20.283 -16.834 1.00 0.00 N ATOM 0 H LYS A 27 11.545 -16.154 -15.107 1.00 0.00 H new ATOM 0 HA LYS A 27 13.977 -17.488 -15.122 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.232 -14.923 -16.584 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.491 -16.049 -17.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.598 -16.917 -16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.222 -16.174 -18.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.703 -18.334 -18.850 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.153 -18.035 -17.912 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.528 -18.796 -15.894 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.724 -19.640 -17.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.404 -21.023 -16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.831 -20.697 -17.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.611 -19.879 -16.513 1.00 0.00 H new ATOM 411 N THR A 28 14.251 -14.333 -14.149 1.00 0.00 N ATOM 412 CA THR A 28 15.113 -13.402 -13.432 1.00 0.00 C ATOM 413 C THR A 28 14.791 -13.391 -11.942 1.00 0.00 C ATOM 414 O THR A 28 13.870 -14.072 -11.491 1.00 0.00 O ATOM 415 CB THR A 28 14.978 -11.971 -13.985 1.00 0.00 C ATOM 416 OG1 THR A 28 13.682 -11.446 -13.677 1.00 0.00 O ATOM 417 CG2 THR A 28 15.194 -11.950 -15.491 1.00 0.00 C ATOM 0 H THR A 28 13.364 -13.934 -14.457 1.00 0.00 H new ATOM 0 HA THR A 28 16.138 -13.744 -13.577 1.00 0.00 H new ATOM 0 HB THR A 28 15.741 -11.351 -13.515 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.577 -10.567 -14.098 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.094 -10.929 -15.859 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.193 -12.322 -15.721 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.451 -12.584 -15.974 1.00 0.00 H new ATOM 425 N ARG A 29 15.555 -12.613 -11.182 1.00 0.00 N ATOM 426 CA ARG A 29 15.351 -12.514 -9.742 1.00 0.00 C ATOM 427 C ARG A 29 14.580 -11.246 -9.388 1.00 0.00 C ATOM 428 O ARG A 29 14.219 -11.030 -8.231 1.00 0.00 O ATOM 429 CB ARG A 29 16.696 -12.526 -9.012 1.00 0.00 C ATOM 430 CG ARG A 29 17.169 -13.919 -8.631 1.00 0.00 C ATOM 431 CD ARG A 29 17.751 -14.657 -9.826 1.00 0.00 C ATOM 432 NE ARG A 29 19.017 -14.076 -10.264 1.00 0.00 N ATOM 433 CZ ARG A 29 20.180 -14.313 -9.667 1.00 0.00 C ATOM 434 NH1 ARG A 29 20.236 -15.115 -8.612 1.00 0.00 N ATOM 435 NH2 ARG A 29 21.290 -13.748 -10.124 1.00 0.00 N ATOM 0 H ARG A 29 16.321 -12.042 -11.540 1.00 0.00 H new ATOM 0 HA ARG A 29 14.765 -13.376 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.448 -12.057 -9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.616 -11.919 -8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.921 -13.847 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.334 -14.488 -8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.904 -15.705 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 29 17.037 -14.634 -10.649 1.00 0.00 H new ATOM 0 HE ARG A 29 19.008 -13.454 -11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 29 19.385 -15.551 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.130 -15.295 -8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 29 21.251 -13.131 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 29 22.182 -13.931 -9.664 1.00 0.00 H new ATOM 449 N TRP A 30 14.332 -10.411 -10.391 1.00 0.00 N ATOM 450 CA TRP A 30 13.605 -9.164 -10.185 1.00 0.00 C ATOM 451 C TRP A 30 12.149 -9.306 -10.615 1.00 0.00 C ATOM 452 O TRP A 30 11.819 -10.135 -11.463 1.00 0.00 O ATOM 453 CB TRP A 30 14.270 -8.027 -10.963 1.00 0.00 C ATOM 454 CG TRP A 30 14.556 -8.374 -12.393 1.00 0.00 C ATOM 455 CD1 TRP A 30 13.641 -8.571 -13.387 1.00 0.00 C ATOM 456 CD2 TRP A 30 15.845 -8.566 -12.987 1.00 0.00 C ATOM 457 NE1 TRP A 30 14.284 -8.874 -14.564 1.00 0.00 N ATOM 458 CE2 TRP A 30 15.636 -8.876 -14.345 1.00 0.00 C ATOM 459 CE3 TRP A 30 17.155 -8.504 -12.504 1.00 0.00 C ATOM 460 CZ2 TRP A 30 16.688 -9.124 -15.222 1.00 0.00 C ATOM 461 CZ3 TRP A 30 18.198 -8.750 -13.376 1.00 0.00 C ATOM 462 CH2 TRP A 30 17.960 -9.057 -14.722 1.00 0.00 C ATOM 0 H TRP A 30 14.624 -10.575 -11.355 1.00 0.00 H new ATOM 0 HA TRP A 30 13.630 -8.930 -9.121 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.625 -7.149 -10.932 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.203 -7.755 -10.469 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.570 -8.499 -13.267 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.828 -9.066 -15.456 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.348 -8.268 -11.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.507 -9.361 -16.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.214 -8.705 -13.014 1.00 0.00 H new ATOM 0 HH2 TRP A 30 18.797 -9.245 -15.378 1.00 0.00 H new ATOM 473 N CYS A 31 11.280 -8.492 -10.024 1.00 0.00 N ATOM 474 CA CYS A 31 9.858 -8.527 -10.345 1.00 0.00 C ATOM 475 C CYS A 31 9.610 -8.034 -11.768 1.00 0.00 C ATOM 476 O CYS A 31 10.284 -7.123 -12.247 1.00 0.00 O ATOM 477 CB CYS A 31 9.069 -7.672 -9.352 1.00 0.00 C ATOM 478 SG CYS A 31 7.263 -7.892 -9.453 1.00 0.00 S ATOM 0 H CYS A 31 11.536 -7.800 -9.320 1.00 0.00 H new ATOM 0 HA CYS A 31 9.519 -9.561 -10.273 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.398 -7.912 -8.341 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.307 -6.622 -9.524 1.00 0.00 H new ATOM 483 N ALA A 32 8.637 -8.643 -12.438 1.00 0.00 N ATOM 484 CA ALA A 32 8.297 -8.266 -13.804 1.00 0.00 C ATOM 485 C ALA A 32 6.795 -8.060 -13.959 1.00 0.00 C ATOM 486 O ALA A 32 6.021 -8.349 -13.046 1.00 0.00 O ATOM 487 CB ALA A 32 8.791 -9.322 -14.782 1.00 0.00 C ATOM 0 H ALA A 32 8.070 -9.400 -12.056 1.00 0.00 H new ATOM 0 HA ALA A 32 8.792 -7.321 -14.027 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.530 -9.027 -15.798 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.874 -9.417 -14.698 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.324 -10.279 -14.551 1.00 0.00 H new ATOM 493 N TYR A 33 6.388 -7.558 -15.120 1.00 0.00 N ATOM 494 CA TYR A 33 4.977 -7.310 -15.393 1.00 0.00 C ATOM 495 C TYR A 33 4.354 -8.481 -16.146 1.00 0.00 C ATOM 496 O TYR A 33 3.150 -8.718 -16.059 1.00 0.00 O ATOM 497 CB TYR A 33 4.812 -6.023 -16.203 1.00 0.00 C ATOM 498 CG TYR A 33 5.286 -6.141 -17.633 1.00 0.00 C ATOM 499 CD1 TYR A 33 6.634 -6.024 -17.951 1.00 0.00 C ATOM 500 CD2 TYR A 33 4.387 -6.373 -18.667 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.071 -6.131 -19.257 1.00 0.00 C ATOM 502 CE2 TYR A 33 4.816 -6.483 -19.976 1.00 0.00 C ATOM 503 CZ TYR A 33 6.159 -6.361 -20.266 1.00 0.00 C ATOM 504 OH TYR A 33 6.592 -6.470 -21.567 1.00 0.00 O ATOM 0 H TYR A 33 7.015 -7.315 -15.887 1.00 0.00 H new ATOM 0 HA TYR A 33 4.462 -7.200 -14.439 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.761 -5.735 -16.200 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.364 -5.221 -15.712 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.352 -5.846 -17.164 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.335 -6.469 -18.444 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.122 -6.035 -19.487 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.104 -6.663 -20.768 1.00 0.00 H new ATOM 0 HH TYR A 33 5.825 -6.633 -22.155 1.00 0.00 H new ATOM 514 N GLN A 34 5.185 -9.210 -16.885 1.00 0.00 N ATOM 515 CA GLN A 34 4.716 -10.357 -17.653 1.00 0.00 C ATOM 516 C GLN A 34 3.925 -11.317 -16.771 1.00 0.00 C ATOM 517 O GLN A 34 4.074 -11.318 -15.549 1.00 0.00 O ATOM 518 CB GLN A 34 5.899 -11.089 -18.291 1.00 0.00 C ATOM 519 CG GLN A 34 6.736 -11.875 -17.295 1.00 0.00 C ATOM 520 CD GLN A 34 8.166 -12.070 -17.760 1.00 0.00 C ATOM 521 OE1 GLN A 34 8.726 -11.222 -18.454 1.00 0.00 O ATOM 522 NE2 GLN A 34 8.764 -13.192 -17.379 1.00 0.00 N ATOM 0 H GLN A 34 6.185 -9.027 -16.968 1.00 0.00 H new ATOM 0 HA GLN A 34 4.057 -9.990 -18.440 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.525 -11.770 -19.056 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.536 -10.362 -18.795 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.737 -11.355 -16.337 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.276 -12.849 -17.128 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.261 -13.868 -16.803 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.726 -13.379 -17.662 1.00 0.00 H new ATOM 531 N ILE A 35 3.084 -12.133 -17.398 1.00 0.00 N ATOM 532 CA ILE A 35 2.271 -13.098 -16.670 1.00 0.00 C ATOM 533 C ILE A 35 1.563 -14.053 -17.625 1.00 0.00 C ATOM 534 O ILE A 35 1.589 -13.864 -18.841 1.00 0.00 O ATOM 535 CB ILE A 35 1.219 -12.397 -15.789 1.00 0.00 C ATOM 536 CG1 ILE A 35 0.374 -13.433 -15.044 1.00 0.00 C ATOM 537 CG2 ILE A 35 0.335 -11.495 -16.637 1.00 0.00 C ATOM 538 CD1 ILE A 35 -0.505 -12.834 -13.969 1.00 0.00 C ATOM 0 H ILE A 35 2.948 -12.145 -18.409 1.00 0.00 H new ATOM 0 HA ILE A 35 2.949 -13.664 -16.031 1.00 0.00 H new ATOM 0 HB ILE A 35 1.735 -11.780 -15.053 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.253 -13.963 -15.761 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.035 -14.172 -14.592 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.403 -11.007 -16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.949 -10.739 -17.126 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.176 -12.092 -17.393 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.075 -13.625 -13.483 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.117 -12.328 -13.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.191 -12.116 -14.418 1.00 0.00 H new TER 550 ILE A 35