USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0261 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -139:sc= -0.331 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 14 TYR OH : rot 38:sc= 1.29 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 88:sc= 0.6 USER MOD Single : A 39 CYS SG : rot 72:sc= -0.0104 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 145:sc= 1.43 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.051 -4.152 -3.611 1.00 0.38 N ATOM 2 CA ALA A 1 -13.642 -4.034 -2.182 1.00 0.38 C ATOM 3 C ALA A 1 -12.209 -3.505 -2.083 1.00 0.38 C ATOM 4 O ALA A 1 -11.379 -3.771 -2.930 1.00 0.38 O ATOM 5 CB ALA A 1 -13.725 -5.458 -1.633 1.00 0.38 C ATOM 0 H1 ALA A 1 -14.671 -4.979 -3.728 1.00 0.38 H new ATOM 0 H2 ALA A 1 -14.562 -3.293 -3.898 1.00 0.38 H new ATOM 0 H3 ALA A 1 -13.206 -4.267 -4.206 1.00 0.38 H new ATOM 0 HA ALA A 1 -14.274 -3.342 -1.626 1.00 0.38 H new ATOM 0 HB1 ALA A 1 -13.438 -5.460 -0.581 1.00 0.38 H new ATOM 0 HB2 ALA A 1 -14.746 -5.827 -1.732 1.00 0.38 H new ATOM 0 HB3 ALA A 1 -13.050 -6.104 -2.194 1.00 0.38 H new ATOM 11 N TYR A 2 -11.913 -2.755 -1.056 1.00 0.69 N ATOM 12 CA TYR A 2 -10.532 -2.210 -0.905 1.00 0.69 C ATOM 13 C TYR A 2 -9.534 -3.344 -0.675 1.00 0.69 C ATOM 14 O TYR A 2 -9.814 -4.301 0.020 1.00 0.69 O ATOM 15 CB TYR A 2 -10.601 -1.299 0.321 1.00 0.69 C ATOM 16 CG TYR A 2 -11.376 -0.050 -0.026 1.00 0.69 C ATOM 17 CD1 TYR A 2 -10.821 0.899 -0.895 1.00 0.69 C ATOM 18 CD2 TYR A 2 -12.647 0.158 0.520 1.00 0.69 C ATOM 19 CE1 TYR A 2 -11.541 2.057 -1.215 1.00 0.69 C ATOM 20 CE2 TYR A 2 -13.366 1.316 0.199 1.00 0.69 C ATOM 21 CZ TYR A 2 -12.814 2.265 -0.669 1.00 0.69 C ATOM 22 OH TYR A 2 -13.522 3.406 -0.986 1.00 0.69 O ATOM 0 H TYR A 2 -12.566 -2.496 -0.316 1.00 0.69 H new ATOM 0 HA TYR A 2 -10.200 -1.675 -1.795 1.00 0.69 H new ATOM 0 HB2 TYR A 2 -11.082 -1.820 1.149 1.00 0.69 H new ATOM 0 HB3 TYR A 2 -9.596 -1.037 0.650 1.00 0.69 H new ATOM 0 HD1 TYR A 2 -9.840 0.738 -1.317 1.00 0.69 H new ATOM 0 HD2 TYR A 2 -13.074 -0.575 1.189 1.00 0.69 H new ATOM 0 HE1 TYR A 2 -11.114 2.790 -1.883 1.00 0.69 H new ATOM 0 HE2 TYR A 2 -14.347 1.477 0.621 1.00 0.69 H new ATOM 0 HH TYR A 2 -14.386 3.394 -0.524 1.00 0.69 H new ATOM 32 N LEU A 3 -8.374 -3.242 -1.257 1.00 0.65 N ATOM 33 CA LEU A 3 -7.355 -4.317 -1.087 1.00 0.65 C ATOM 34 C LEU A 3 -6.334 -3.929 -0.016 1.00 0.65 C ATOM 35 O LEU A 3 -6.296 -2.804 0.443 1.00 0.65 O ATOM 36 CB LEU A 3 -6.674 -4.425 -2.452 1.00 0.65 C ATOM 37 CG LEU A 3 -7.189 -5.665 -3.183 1.00 0.65 C ATOM 38 CD1 LEU A 3 -8.625 -5.422 -3.650 1.00 0.65 C ATOM 39 CD2 LEU A 3 -6.299 -5.949 -4.395 1.00 0.65 C ATOM 0 H LEU A 3 -8.085 -2.460 -1.845 1.00 0.65 H new ATOM 0 HA LEU A 3 -7.802 -5.258 -0.768 1.00 0.65 H new ATOM 0 HB2 LEU A 3 -6.876 -3.532 -3.043 1.00 0.65 H new ATOM 0 HB3 LEU A 3 -5.593 -4.486 -2.327 1.00 0.65 H new ATOM 0 HG LEU A 3 -7.167 -6.520 -2.508 1.00 0.65 H new ATOM 0 HD11 LEU A 3 -8.993 -6.306 -4.171 1.00 0.65 H new ATOM 0 HD12 LEU A 3 -9.259 -5.220 -2.787 1.00 0.65 H new ATOM 0 HD13 LEU A 3 -8.648 -4.567 -4.325 1.00 0.65 H new ATOM 0 HD21 LEU A 3 -6.666 -6.833 -4.917 1.00 0.65 H new ATOM 0 HD22 LEU A 3 -6.321 -5.094 -5.071 1.00 0.65 H new ATOM 0 HD23 LEU A 3 -5.276 -6.123 -4.062 1.00 0.65 H new ATOM 51 N LYS A 4 -5.502 -4.852 0.381 1.00 0.29 N ATOM 52 CA LYS A 4 -4.477 -4.540 1.416 1.00 0.29 C ATOM 53 C LYS A 4 -3.117 -5.106 1.000 1.00 0.29 C ATOM 54 O LYS A 4 -3.033 -6.115 0.328 1.00 0.29 O ATOM 55 CB LYS A 4 -4.976 -5.230 2.686 1.00 0.29 C ATOM 56 CG LYS A 4 -6.151 -4.438 3.263 1.00 0.29 C ATOM 57 CD LYS A 4 -6.750 -5.202 4.447 1.00 0.29 C ATOM 58 CE LYS A 4 -6.967 -4.239 5.615 1.00 0.29 C ATOM 59 NZ LYS A 4 -8.442 -4.038 5.674 1.00 0.29 N ATOM 0 H LYS A 4 -5.488 -5.811 0.033 1.00 0.29 H new ATOM 0 HA LYS A 4 -4.346 -3.467 1.558 1.00 0.29 H new ATOM 0 HB2 LYS A 4 -5.286 -6.251 2.461 1.00 0.29 H new ATOM 0 HB3 LYS A 4 -4.171 -5.295 3.419 1.00 0.29 H new ATOM 0 HG2 LYS A 4 -5.816 -3.452 3.585 1.00 0.29 H new ATOM 0 HG3 LYS A 4 -6.910 -4.282 2.496 1.00 0.29 H new ATOM 0 HD2 LYS A 4 -7.696 -5.659 4.158 1.00 0.29 H new ATOM 0 HD3 LYS A 4 -6.084 -6.011 4.747 1.00 0.29 H new ATOM 0 HE2 LYS A 4 -6.587 -4.656 6.548 1.00 0.29 H new ATOM 0 HE3 LYS A 4 -6.445 -3.296 5.452 1.00 0.29 H new ATOM 0 HZ1 LYS A 4 -8.673 -3.388 6.452 1.00 0.29 H new ATOM 0 HZ2 LYS A 4 -8.774 -3.634 4.775 1.00 0.29 H new ATOM 0 HZ3 LYS A 4 -8.911 -4.952 5.836 1.00 0.29 H new ATOM 73 N TRP A 5 -2.051 -4.462 1.388 1.00 0.30 N ATOM 74 CA TRP A 5 -0.698 -4.957 1.002 1.00 0.30 C ATOM 75 C TRP A 5 0.208 -5.045 2.226 1.00 0.30 C ATOM 76 O TRP A 5 -0.181 -4.710 3.324 1.00 0.30 O ATOM 77 CB TRP A 5 -0.155 -3.908 0.027 1.00 0.30 C ATOM 78 CG TRP A 5 -1.119 -3.712 -1.098 1.00 0.30 C ATOM 79 CD1 TRP A 5 -2.256 -2.983 -1.029 1.00 0.30 C ATOM 80 CD2 TRP A 5 -1.051 -4.238 -2.454 1.00 0.30 C ATOM 81 NE1 TRP A 5 -2.889 -3.027 -2.256 1.00 0.30 N ATOM 82 CE2 TRP A 5 -2.186 -3.789 -3.169 1.00 0.30 C ATOM 83 CE3 TRP A 5 -0.123 -5.053 -3.125 1.00 0.30 C ATOM 84 CZ2 TRP A 5 -2.394 -4.137 -4.503 1.00 0.30 C ATOM 85 CZ3 TRP A 5 -0.328 -5.406 -4.468 1.00 0.30 C ATOM 86 CH2 TRP A 5 -1.461 -4.949 -5.157 1.00 0.30 C ATOM 0 H TRP A 5 -2.057 -3.615 1.956 1.00 0.30 H new ATOM 0 HA TRP A 5 -0.741 -5.953 0.561 1.00 0.30 H new ATOM 0 HB2 TRP A 5 0.007 -2.964 0.548 1.00 0.30 H new ATOM 0 HB3 TRP A 5 0.812 -4.227 -0.362 1.00 0.30 H new ATOM 0 HD1 TRP A 5 -2.611 -2.453 -0.157 1.00 0.30 H new ATOM 0 HE1 TRP A 5 -3.769 -2.554 -2.463 1.00 0.30 H new ATOM 0 HE3 TRP A 5 0.753 -5.410 -2.604 1.00 0.30 H new ATOM 0 HZ2 TRP A 5 -3.269 -3.782 -5.028 1.00 0.30 H new ATOM 0 HZ3 TRP A 5 0.391 -6.033 -4.974 1.00 0.30 H new ATOM 0 HH2 TRP A 5 -1.613 -5.223 -6.190 1.00 0.30 H new ATOM 97 N ILE A 6 1.419 -5.487 2.035 1.00 0.46 N ATOM 98 CA ILE A 6 2.385 -5.573 3.170 1.00 0.46 C ATOM 99 C ILE A 6 3.818 -5.539 2.633 1.00 0.46 C ATOM 100 O ILE A 6 4.224 -6.386 1.862 1.00 0.46 O ATOM 101 CB ILE A 6 2.094 -6.915 3.877 1.00 0.46 C ATOM 102 CG1 ILE A 6 3.222 -7.256 4.867 1.00 0.46 C ATOM 103 CG2 ILE A 6 1.989 -8.039 2.841 1.00 0.46 C ATOM 104 CD1 ILE A 6 3.488 -6.074 5.806 1.00 0.46 C ATOM 0 H ILE A 6 1.786 -5.795 1.135 1.00 0.46 H new ATOM 0 HA ILE A 6 2.278 -4.737 3.862 1.00 0.46 H new ATOM 0 HB ILE A 6 1.153 -6.820 4.419 1.00 0.46 H new ATOM 0 HG12 ILE A 6 2.949 -8.136 5.449 1.00 0.46 H new ATOM 0 HG13 ILE A 6 4.131 -7.505 4.320 1.00 0.46 H new ATOM 0 HG21 ILE A 6 1.784 -8.982 3.347 1.00 0.46 H new ATOM 0 HG22 ILE A 6 1.180 -7.817 2.144 1.00 0.46 H new ATOM 0 HG23 ILE A 6 2.928 -8.118 2.293 1.00 0.46 H new ATOM 0 HD11 ILE A 6 4.288 -6.333 6.499 1.00 0.46 H new ATOM 0 HD12 ILE A 6 3.783 -5.203 5.220 1.00 0.46 H new ATOM 0 HD13 ILE A 6 2.582 -5.844 6.367 1.00 0.46 H new ATOM 116 N CYS A 7 4.587 -4.572 3.044 1.00 0.37 N ATOM 117 CA CYS A 7 5.993 -4.488 2.566 1.00 0.37 C ATOM 118 C CYS A 7 6.813 -5.655 3.120 1.00 0.37 C ATOM 119 O CYS A 7 7.311 -5.604 4.225 1.00 0.37 O ATOM 120 CB CYS A 7 6.515 -3.162 3.124 1.00 0.37 C ATOM 121 SG CYS A 7 8.095 -2.757 2.337 1.00 0.37 S ATOM 0 H CYS A 7 4.303 -3.836 3.690 1.00 0.37 H new ATOM 0 HA CYS A 7 6.064 -4.537 1.479 1.00 0.37 H new ATOM 0 HB2 CYS A 7 5.791 -2.368 2.941 1.00 0.37 H new ATOM 0 HB3 CYS A 7 6.642 -3.235 4.204 1.00 0.37 H new ATOM 126 N ILE A 8 6.976 -6.700 2.353 1.00 0.42 N ATOM 127 CA ILE A 8 7.780 -7.858 2.843 1.00 0.42 C ATOM 128 C ILE A 8 9.173 -7.392 3.276 1.00 0.42 C ATOM 129 O ILE A 8 9.853 -8.056 4.034 1.00 0.42 O ATOM 130 CB ILE A 8 7.874 -8.814 1.657 1.00 0.42 C ATOM 131 CG1 ILE A 8 8.760 -10.002 2.020 1.00 0.42 C ATOM 132 CG2 ILE A 8 8.478 -8.078 0.476 1.00 0.42 C ATOM 133 CD1 ILE A 8 8.140 -11.286 1.467 1.00 0.42 C ATOM 0 H ILE A 8 6.590 -6.802 1.414 1.00 0.42 H new ATOM 0 HA ILE A 8 7.324 -8.336 3.710 1.00 0.42 H new ATOM 0 HB ILE A 8 6.878 -9.175 1.400 1.00 0.42 H new ATOM 0 HG12 ILE A 8 9.760 -9.862 1.610 1.00 0.42 H new ATOM 0 HG13 ILE A 8 8.866 -10.073 3.102 1.00 0.42 H new ATOM 0 HG21 ILE A 8 8.549 -8.754 -0.376 1.00 0.42 H new ATOM 0 HG22 ILE A 8 7.846 -7.229 0.214 1.00 0.42 H new ATOM 0 HG23 ILE A 8 9.474 -7.721 0.740 1.00 0.42 H new ATOM 0 HD11 ILE A 8 8.772 -12.136 1.725 1.00 0.42 H new ATOM 0 HD12 ILE A 8 7.149 -11.426 1.898 1.00 0.42 H new ATOM 0 HD13 ILE A 8 8.057 -11.212 0.383 1.00 0.42 H new ATOM 145 N THR A 9 9.596 -6.247 2.813 1.00 0.49 N ATOM 146 CA THR A 9 10.936 -5.732 3.198 1.00 0.49 C ATOM 147 C THR A 9 10.878 -5.075 4.581 1.00 0.49 C ATOM 148 O THR A 9 11.855 -5.039 5.303 1.00 0.49 O ATOM 149 CB THR A 9 11.263 -4.693 2.122 1.00 0.49 C ATOM 150 OG1 THR A 9 11.430 -5.345 0.871 1.00 0.49 O ATOM 151 CG2 THR A 9 12.551 -3.955 2.486 1.00 0.49 C ATOM 0 H THR A 9 9.067 -5.645 2.182 1.00 0.49 H new ATOM 0 HA THR A 9 11.687 -6.519 3.259 1.00 0.49 H new ATOM 0 HB THR A 9 10.445 -3.976 2.056 1.00 0.49 H new ATOM 0 HG1 THR A 9 12.188 -4.947 0.393 1.00 0.49 H new ATOM 0 HG21 THR A 9 12.778 -3.217 1.716 1.00 0.49 H new ATOM 0 HG22 THR A 9 12.424 -3.452 3.444 1.00 0.49 H new ATOM 0 HG23 THR A 9 13.372 -4.669 2.557 1.00 0.49 H new ATOM 159 N CYS A 10 9.743 -4.547 4.953 1.00 0.28 N ATOM 160 CA CYS A 10 9.633 -3.877 6.282 1.00 0.28 C ATOM 161 C CYS A 10 8.624 -4.601 7.175 1.00 0.28 C ATOM 162 O CYS A 10 8.874 -4.845 8.340 1.00 0.28 O ATOM 163 CB CYS A 10 9.140 -2.470 5.967 1.00 0.28 C ATOM 164 SG CYS A 10 10.539 -1.434 5.474 1.00 0.28 S ATOM 0 H CYS A 10 8.889 -4.550 4.396 1.00 0.28 H new ATOM 0 HA CYS A 10 10.582 -3.878 6.818 1.00 0.28 H new ATOM 0 HB2 CYS A 10 8.400 -2.503 5.168 1.00 0.28 H new ATOM 0 HB3 CYS A 10 8.647 -2.042 6.840 1.00 0.28 H new ATOM 169 N GLY A 11 7.476 -4.925 6.648 1.00 0.17 N ATOM 170 CA GLY A 11 6.446 -5.619 7.471 1.00 0.17 C ATOM 171 C GLY A 11 5.287 -4.661 7.762 1.00 0.17 C ATOM 172 O GLY A 11 4.521 -4.863 8.683 1.00 0.17 O ATOM 0 H GLY A 11 7.206 -4.739 5.682 1.00 0.17 H new ATOM 0 HA2 GLY A 11 6.079 -6.500 6.945 1.00 0.17 H new ATOM 0 HA3 GLY A 11 6.887 -5.967 8.405 1.00 0.17 H new ATOM 176 N HIS A 12 5.151 -3.618 6.986 1.00 0.21 N ATOM 177 CA HIS A 12 4.034 -2.657 7.216 1.00 0.21 C ATOM 178 C HIS A 12 2.890 -2.940 6.243 1.00 0.21 C ATOM 179 O HIS A 12 3.100 -3.145 5.064 1.00 0.21 O ATOM 180 CB HIS A 12 4.640 -1.278 6.943 1.00 0.21 C ATOM 181 CG HIS A 12 3.576 -0.224 7.084 1.00 0.21 C ATOM 182 ND1 HIS A 12 2.782 -0.121 8.216 1.00 0.21 N ATOM 183 CD2 HIS A 12 3.163 0.780 6.244 1.00 0.21 C ATOM 184 CE1 HIS A 12 1.941 0.913 8.028 1.00 0.21 C ATOM 185 NE2 HIS A 12 2.131 1.496 6.842 1.00 0.21 N ATOM 0 H HIS A 12 5.765 -3.391 6.204 1.00 0.21 H new ATOM 0 HA HIS A 12 3.622 -2.731 8.223 1.00 0.21 H new ATOM 0 HB2 HIS A 12 5.455 -1.083 7.640 1.00 0.21 H new ATOM 0 HB3 HIS A 12 5.065 -1.248 5.940 1.00 0.21 H new ATOM 0 HD2 HIS A 12 3.576 0.983 5.267 1.00 0.21 H new ATOM 0 HE1 HIS A 12 1.203 1.232 8.749 1.00 0.21 H new ATOM 0 HE2 HIS A 12 1.627 2.295 6.457 1.00 0.21 H new ATOM 193 N ILE A 13 1.678 -2.961 6.728 1.00 0.16 N ATOM 194 CA ILE A 13 0.526 -3.248 5.829 1.00 0.16 C ATOM 195 C ILE A 13 -0.123 -1.946 5.350 1.00 0.16 C ATOM 196 O ILE A 13 -0.271 -0.999 6.097 1.00 0.16 O ATOM 197 CB ILE A 13 -0.451 -4.065 6.688 1.00 0.16 C ATOM 198 CG1 ILE A 13 0.133 -5.455 6.937 1.00 0.16 C ATOM 199 CG2 ILE A 13 -1.795 -4.214 5.967 1.00 0.16 C ATOM 200 CD1 ILE A 13 0.004 -5.800 8.420 1.00 0.16 C ATOM 0 H ILE A 13 1.437 -2.792 7.705 1.00 0.16 H new ATOM 0 HA ILE A 13 0.828 -3.788 4.931 1.00 0.16 H new ATOM 0 HB ILE A 13 -0.605 -3.546 7.634 1.00 0.16 H new ATOM 0 HG12 ILE A 13 -0.391 -6.196 6.333 1.00 0.16 H new ATOM 0 HG13 ILE A 13 1.180 -5.481 6.636 1.00 0.16 H new ATOM 0 HG21 ILE A 13 -2.478 -4.795 6.587 1.00 0.16 H new ATOM 0 HG22 ILE A 13 -2.221 -3.228 5.784 1.00 0.16 H new ATOM 0 HG23 ILE A 13 -1.643 -4.726 5.017 1.00 0.16 H new ATOM 0 HD11 ILE A 13 0.420 -6.791 8.600 1.00 0.16 H new ATOM 0 HD12 ILE A 13 0.548 -5.065 9.013 1.00 0.16 H new ATOM 0 HD13 ILE A 13 -1.048 -5.790 8.706 1.00 0.16 H new ATOM 212 N TYR A 14 -0.529 -1.907 4.111 1.00 0.10 N ATOM 213 CA TYR A 14 -1.183 -0.681 3.573 1.00 0.10 C ATOM 214 C TYR A 14 -2.679 -0.924 3.366 1.00 0.10 C ATOM 215 O TYR A 14 -3.100 -2.001 2.994 1.00 0.10 O ATOM 216 CB TYR A 14 -0.490 -0.422 2.230 1.00 0.10 C ATOM 217 CG TYR A 14 -1.172 0.723 1.515 1.00 0.10 C ATOM 218 CD1 TYR A 14 -0.928 2.041 1.915 1.00 0.10 C ATOM 219 CD2 TYR A 14 -2.055 0.462 0.458 1.00 0.10 C ATOM 220 CE1 TYR A 14 -1.563 3.102 1.257 1.00 0.10 C ATOM 221 CE2 TYR A 14 -2.688 1.524 -0.201 1.00 0.10 C ATOM 222 CZ TYR A 14 -2.443 2.843 0.199 1.00 0.10 C ATOM 223 OH TYR A 14 -3.067 3.889 -0.450 1.00 0.10 O ATOM 0 H TYR A 14 -0.436 -2.674 3.446 1.00 0.10 H new ATOM 0 HA TYR A 14 -1.092 0.167 4.252 1.00 0.10 H new ATOM 0 HB2 TYR A 14 0.562 -0.187 2.392 1.00 0.10 H new ATOM 0 HB3 TYR A 14 -0.524 -1.320 1.613 1.00 0.10 H new ATOM 0 HD1 TYR A 14 -0.250 2.241 2.731 1.00 0.10 H new ATOM 0 HD2 TYR A 14 -2.247 -0.556 0.152 1.00 0.10 H new ATOM 0 HE1 TYR A 14 -1.374 4.120 1.566 1.00 0.10 H new ATOM 0 HE2 TYR A 14 -3.365 1.325 -1.018 1.00 0.10 H new ATOM 0 HH TYR A 14 -2.444 4.641 -0.533 1.00 0.10 H new ATOM 233 N ASP A 15 -3.481 0.076 3.596 1.00 0.11 N ATOM 234 CA ASP A 15 -4.951 -0.083 3.401 1.00 0.11 C ATOM 235 C ASP A 15 -5.452 0.908 2.348 1.00 0.11 C ATOM 236 O ASP A 15 -5.505 2.100 2.580 1.00 0.11 O ATOM 237 CB ASP A 15 -5.566 0.232 4.765 1.00 0.11 C ATOM 238 CG ASP A 15 -6.926 -0.461 4.881 1.00 0.11 C ATOM 239 OD1 ASP A 15 -7.696 -0.373 3.940 1.00 0.11 O ATOM 240 OD2 ASP A 15 -7.174 -1.066 5.910 1.00 0.11 O ATOM 0 H ASP A 15 -3.183 0.999 3.911 1.00 0.11 H new ATOM 0 HA ASP A 15 -5.217 -1.081 3.053 1.00 0.11 H new ATOM 0 HB2 ASP A 15 -4.904 -0.106 5.562 1.00 0.11 H new ATOM 0 HB3 ASP A 15 -5.683 1.309 4.884 1.00 0.11 H new ATOM 245 N GLU A 16 -5.824 0.426 1.193 1.00 0.12 N ATOM 246 CA GLU A 16 -6.316 1.342 0.122 1.00 0.12 C ATOM 247 C GLU A 16 -7.395 2.278 0.672 1.00 0.12 C ATOM 248 O GLU A 16 -7.574 3.383 0.198 1.00 0.12 O ATOM 249 CB GLU A 16 -6.905 0.417 -0.943 1.00 0.12 C ATOM 250 CG GLU A 16 -5.794 -0.456 -1.529 1.00 0.12 C ATOM 251 CD GLU A 16 -6.307 -1.157 -2.788 1.00 0.12 C ATOM 252 OE1 GLU A 16 -7.493 -1.439 -2.844 1.00 0.12 O ATOM 253 OE2 GLU A 16 -5.505 -1.401 -3.675 1.00 0.12 O ATOM 0 H GLU A 16 -5.809 -0.563 0.944 1.00 0.12 H new ATOM 0 HA GLU A 16 -5.523 1.975 -0.275 1.00 0.12 H new ATOM 0 HB2 GLU A 16 -7.683 -0.210 -0.506 1.00 0.12 H new ATOM 0 HB3 GLU A 16 -7.375 1.005 -1.732 1.00 0.12 H new ATOM 0 HG2 GLU A 16 -4.925 0.156 -1.769 1.00 0.12 H new ATOM 0 HG3 GLU A 16 -5.471 -1.194 -0.795 1.00 0.12 H new ATOM 260 N ALA A 17 -8.109 1.849 1.676 1.00 0.19 N ATOM 261 CA ALA A 17 -9.165 2.717 2.264 1.00 0.19 C ATOM 262 C ALA A 17 -8.613 3.507 3.453 1.00 0.19 C ATOM 263 O ALA A 17 -9.356 4.096 4.213 1.00 0.19 O ATOM 264 CB ALA A 17 -10.250 1.745 2.731 1.00 0.19 C ATOM 0 H ALA A 17 -8.006 0.934 2.114 1.00 0.19 H new ATOM 0 HA ALA A 17 -9.541 3.449 1.549 1.00 0.19 H new ATOM 0 HB1 ALA A 17 -11.071 2.304 3.180 1.00 0.19 H new ATOM 0 HB2 ALA A 17 -10.621 1.177 1.878 1.00 0.19 H new ATOM 0 HB3 ALA A 17 -9.832 1.060 3.469 1.00 0.19 H new ATOM 270 N LEU A 18 -7.315 3.529 3.623 1.00 0.27 N ATOM 271 CA LEU A 18 -6.728 4.272 4.770 1.00 0.27 C ATOM 272 C LEU A 18 -5.199 4.246 4.697 1.00 0.27 C ATOM 273 O LEU A 18 -4.542 3.624 5.509 1.00 0.27 O ATOM 274 CB LEU A 18 -7.210 3.515 6.009 1.00 0.27 C ATOM 275 CG LEU A 18 -7.011 4.385 7.251 1.00 0.27 C ATOM 276 CD1 LEU A 18 -8.373 4.794 7.815 1.00 0.27 C ATOM 277 CD2 LEU A 18 -6.238 3.595 8.308 1.00 0.27 C ATOM 0 H LEU A 18 -6.640 3.064 3.016 1.00 0.27 H new ATOM 0 HA LEU A 18 -7.027 5.320 4.779 1.00 0.27 H new ATOM 0 HB2 LEU A 18 -8.262 3.253 5.901 1.00 0.27 H new ATOM 0 HB3 LEU A 18 -6.658 2.581 6.115 1.00 0.27 H new ATOM 0 HG LEU A 18 -6.449 5.279 6.980 1.00 0.27 H new ATOM 0 HD11 LEU A 18 -8.229 5.414 8.700 1.00 0.27 H new ATOM 0 HD12 LEU A 18 -8.924 5.358 7.062 1.00 0.27 H new ATOM 0 HD13 LEU A 18 -8.938 3.902 8.085 1.00 0.27 H new ATOM 0 HD21 LEU A 18 -6.096 4.215 9.193 1.00 0.27 H new ATOM 0 HD22 LEU A 18 -6.800 2.701 8.577 1.00 0.27 H new ATOM 0 HD23 LEU A 18 -5.266 3.306 7.908 1.00 0.27 H new ATOM 289 N GLY A 19 -4.627 4.912 3.731 1.00 0.21 N ATOM 290 CA GLY A 19 -3.139 4.926 3.617 1.00 0.21 C ATOM 291 C GLY A 19 -2.542 5.621 4.842 1.00 0.21 C ATOM 292 O GLY A 19 -2.941 5.380 5.963 1.00 0.21 O ATOM 0 H GLY A 19 -5.123 5.446 3.017 1.00 0.21 H new ATOM 0 HA2 GLY A 19 -2.759 3.907 3.542 1.00 0.21 H new ATOM 0 HA3 GLY A 19 -2.838 5.446 2.707 1.00 0.21 H new ATOM 296 N ASP A 20 -1.586 6.481 4.636 1.00 0.27 N ATOM 297 CA ASP A 20 -0.960 7.189 5.785 1.00 0.27 C ATOM 298 C ASP A 20 -1.624 8.552 5.994 1.00 0.27 C ATOM 299 O ASP A 20 -2.329 9.047 5.138 1.00 0.27 O ATOM 300 CB ASP A 20 0.504 7.365 5.380 1.00 0.27 C ATOM 301 CG ASP A 20 1.288 7.966 6.549 1.00 0.27 C ATOM 302 OD1 ASP A 20 1.672 7.213 7.427 1.00 0.27 O ATOM 303 OD2 ASP A 20 1.488 9.169 6.545 1.00 0.27 O ATOM 0 H ASP A 20 -1.210 6.725 3.720 1.00 0.27 H new ATOM 0 HA ASP A 20 -1.067 6.639 6.720 1.00 0.27 H new ATOM 0 HB2 ASP A 20 0.932 6.403 5.097 1.00 0.27 H new ATOM 0 HB3 ASP A 20 0.576 8.015 4.508 1.00 0.27 H new ATOM 308 N GLU A 21 -1.408 9.160 7.127 1.00 0.38 N ATOM 309 CA GLU A 21 -2.028 10.490 7.387 1.00 0.38 C ATOM 310 C GLU A 21 -1.071 11.611 6.978 1.00 0.38 C ATOM 311 O GLU A 21 -1.479 12.726 6.722 1.00 0.38 O ATOM 312 CB GLU A 21 -2.269 10.523 8.898 1.00 0.38 C ATOM 313 CG GLU A 21 -3.444 11.454 9.207 1.00 0.38 C ATOM 314 CD GLU A 21 -4.748 10.800 8.747 1.00 0.38 C ATOM 315 OE1 GLU A 21 -5.275 9.988 9.490 1.00 0.38 O ATOM 316 OE2 GLU A 21 -5.198 11.122 7.660 1.00 0.38 O ATOM 0 H GLU A 21 -0.830 8.794 7.884 1.00 0.38 H new ATOM 0 HA GLU A 21 -2.948 10.634 6.820 1.00 0.38 H new ATOM 0 HB2 GLU A 21 -2.480 9.519 9.265 1.00 0.38 H new ATOM 0 HB3 GLU A 21 -1.372 10.868 9.413 1.00 0.38 H new ATOM 0 HG2 GLU A 21 -3.486 11.661 10.276 1.00 0.38 H new ATOM 0 HG3 GLU A 21 -3.307 12.410 8.702 1.00 0.38 H new ATOM 323 N ALA A 22 0.199 11.324 6.913 1.00 0.39 N ATOM 324 CA ALA A 22 1.180 12.374 6.520 1.00 0.39 C ATOM 325 C ALA A 22 1.333 12.417 4.998 1.00 0.39 C ATOM 326 O ALA A 22 1.494 13.469 4.411 1.00 0.39 O ATOM 327 CB ALA A 22 2.495 11.949 7.178 1.00 0.39 C ATOM 0 H ALA A 22 0.600 10.408 7.115 1.00 0.39 H new ATOM 0 HA ALA A 22 0.866 13.370 6.834 1.00 0.39 H new ATOM 0 HB1 ALA A 22 3.273 12.673 6.937 1.00 0.39 H new ATOM 0 HB2 ALA A 22 2.363 11.905 8.259 1.00 0.39 H new ATOM 0 HB3 ALA A 22 2.786 10.966 6.807 1.00 0.39 H new ATOM 333 N GLU A 23 1.283 11.283 4.354 1.00 0.39 N ATOM 334 CA GLU A 23 1.421 11.259 2.875 1.00 0.39 C ATOM 335 C GLU A 23 0.239 11.976 2.219 1.00 0.39 C ATOM 336 O GLU A 23 0.348 12.504 1.131 1.00 0.39 O ATOM 337 CB GLU A 23 1.413 9.775 2.517 1.00 0.39 C ATOM 338 CG GLU A 23 2.700 9.122 3.026 1.00 0.39 C ATOM 339 CD GLU A 23 3.824 9.352 2.013 1.00 0.39 C ATOM 340 OE1 GLU A 23 3.806 8.703 0.980 1.00 0.39 O ATOM 341 OE2 GLU A 23 4.683 10.174 2.287 1.00 0.39 O ATOM 0 H GLU A 23 1.152 10.371 4.792 1.00 0.39 H new ATOM 0 HA GLU A 23 2.323 11.764 2.531 1.00 0.39 H new ATOM 0 HB2 GLU A 23 0.545 9.287 2.960 1.00 0.39 H new ATOM 0 HB3 GLU A 23 1.332 9.651 1.437 1.00 0.39 H new ATOM 0 HG2 GLU A 23 2.976 9.542 3.993 1.00 0.39 H new ATOM 0 HG3 GLU A 23 2.544 8.054 3.176 1.00 0.39 H new ATOM 348 N GLY A 24 -0.889 12.003 2.876 1.00 0.28 N ATOM 349 CA GLY A 24 -2.074 12.690 2.290 1.00 0.28 C ATOM 350 C GLY A 24 -2.918 11.680 1.512 1.00 0.28 C ATOM 351 O GLY A 24 -3.613 12.029 0.578 1.00 0.28 O ATOM 0 H GLY A 24 -1.040 11.580 3.792 1.00 0.28 H new ATOM 0 HA2 GLY A 24 -2.671 13.146 3.080 1.00 0.28 H new ATOM 0 HA3 GLY A 24 -1.751 13.495 1.630 1.00 0.28 H new ATOM 355 N PHE A 25 -2.869 10.431 1.886 1.00 0.31 N ATOM 356 CA PHE A 25 -3.675 9.412 1.161 1.00 0.31 C ATOM 357 C PHE A 25 -5.154 9.557 1.518 1.00 0.31 C ATOM 358 O PHE A 25 -5.664 8.868 2.378 1.00 0.31 O ATOM 359 CB PHE A 25 -3.150 8.057 1.651 1.00 0.31 C ATOM 360 CG PHE A 25 -2.445 7.328 0.529 1.00 0.31 C ATOM 361 CD1 PHE A 25 -2.961 7.357 -0.774 1.00 0.31 C ATOM 362 CD2 PHE A 25 -1.294 6.587 0.805 1.00 0.31 C ATOM 363 CE1 PHE A 25 -2.303 6.673 -1.801 1.00 0.31 C ATOM 364 CE2 PHE A 25 -0.641 5.899 -0.220 1.00 0.31 C ATOM 365 CZ PHE A 25 -1.143 5.943 -1.524 1.00 0.31 C ATOM 0 H PHE A 25 -2.308 10.074 2.659 1.00 0.31 H new ATOM 0 HA PHE A 25 -3.588 9.520 0.080 1.00 0.31 H new ATOM 0 HB2 PHE A 25 -2.464 8.206 2.485 1.00 0.31 H new ATOM 0 HB3 PHE A 25 -3.977 7.452 2.023 1.00 0.31 H new ATOM 0 HD1 PHE A 25 -3.866 7.907 -0.985 1.00 0.31 H new ATOM 0 HD2 PHE A 25 -0.908 6.546 1.813 1.00 0.31 H new ATOM 0 HE1 PHE A 25 -2.691 6.709 -2.808 1.00 0.31 H new ATOM 0 HE2 PHE A 25 0.253 5.332 -0.005 1.00 0.31 H new ATOM 0 HZ PHE A 25 -0.635 5.414 -2.317 1.00 0.31 H new ATOM 375 N THR A 26 -5.852 10.440 0.857 1.00 0.40 N ATOM 376 CA THR A 26 -7.298 10.626 1.158 1.00 0.40 C ATOM 377 C THR A 26 -8.025 9.271 1.163 1.00 0.40 C ATOM 378 O THR A 26 -7.696 8.395 0.389 1.00 0.40 O ATOM 379 CB THR A 26 -7.803 11.522 0.026 1.00 0.40 C ATOM 380 OG1 THR A 26 -9.145 11.907 0.288 1.00 0.40 O ATOM 381 CG2 THR A 26 -7.735 10.765 -1.300 1.00 0.40 C ATOM 0 H THR A 26 -5.482 11.041 0.121 1.00 0.40 H new ATOM 0 HA THR A 26 -7.474 11.065 2.140 1.00 0.40 H new ATOM 0 HB THR A 26 -7.177 12.412 -0.037 1.00 0.40 H new ATOM 0 HG1 THR A 26 -9.468 12.482 -0.437 1.00 0.40 H new ATOM 0 HG21 THR A 26 -8.096 11.406 -2.104 1.00 0.40 H new ATOM 0 HG22 THR A 26 -6.704 10.476 -1.501 1.00 0.40 H new ATOM 0 HG23 THR A 26 -8.357 9.872 -1.242 1.00 0.40 H new ATOM 389 N PRO A 27 -8.984 9.137 2.047 1.00 0.25 N ATOM 390 CA PRO A 27 -9.742 7.866 2.144 1.00 0.25 C ATOM 391 C PRO A 27 -10.367 7.507 0.796 1.00 0.25 C ATOM 392 O PRO A 27 -11.332 8.108 0.368 1.00 0.25 O ATOM 393 CB PRO A 27 -10.830 8.162 3.179 1.00 0.25 C ATOM 394 CG PRO A 27 -10.342 9.353 3.942 1.00 0.25 C ATOM 395 CD PRO A 27 -9.446 10.135 3.021 1.00 0.25 C ATOM 0 HA PRO A 27 -9.112 7.022 2.425 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -11.785 8.369 2.696 1.00 0.25 H new ATOM 0 HB3 PRO A 27 -10.986 7.309 3.840 1.00 0.25 H new ATOM 0 HG2 PRO A 27 -11.180 9.966 4.276 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -9.799 9.042 4.835 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -9.985 10.948 2.535 1.00 0.25 H new ATOM 0 HD3 PRO A 27 -8.612 10.583 3.561 1.00 0.25 H new ATOM 403 N GLY A 28 -9.827 6.526 0.126 1.00 0.09 N ATOM 404 CA GLY A 28 -10.395 6.122 -1.191 1.00 0.09 C ATOM 405 C GLY A 28 -9.271 6.015 -2.223 1.00 0.09 C ATOM 406 O GLY A 28 -9.397 6.472 -3.342 1.00 0.09 O ATOM 0 H GLY A 28 -9.017 5.987 0.434 1.00 0.09 H new ATOM 0 HA2 GLY A 28 -10.910 5.166 -1.099 1.00 0.09 H new ATOM 0 HA3 GLY A 28 -11.135 6.852 -1.519 1.00 0.09 H new ATOM 410 N THR A 29 -8.172 5.411 -1.861 1.00 0.15 N ATOM 411 CA THR A 29 -7.045 5.275 -2.827 1.00 0.15 C ATOM 412 C THR A 29 -6.548 3.828 -2.871 1.00 0.15 C ATOM 413 O THR A 29 -6.158 3.266 -1.868 1.00 0.15 O ATOM 414 CB THR A 29 -5.951 6.198 -2.285 1.00 0.15 C ATOM 415 OG1 THR A 29 -6.547 7.343 -1.693 1.00 0.15 O ATOM 416 CG2 THR A 29 -5.039 6.635 -3.433 1.00 0.15 C ATOM 0 H THR A 29 -8.006 5.006 -0.940 1.00 0.15 H new ATOM 0 HA THR A 29 -7.341 5.537 -3.843 1.00 0.15 H new ATOM 0 HB THR A 29 -5.365 5.666 -1.536 1.00 0.15 H new ATOM 0 HG1 THR A 29 -6.749 7.157 -0.752 1.00 0.15 H new ATOM 0 HG21 THR A 29 -4.259 7.292 -3.048 1.00 0.15 H new ATOM 0 HG22 THR A 29 -4.581 5.757 -3.888 1.00 0.15 H new ATOM 0 HG23 THR A 29 -5.626 7.167 -4.181 1.00 0.15 H new ATOM 424 N ARG A 30 -6.555 3.224 -4.028 1.00 0.24 N ATOM 425 CA ARG A 30 -6.080 1.813 -4.136 1.00 0.24 C ATOM 426 C ARG A 30 -4.678 1.766 -4.751 1.00 0.24 C ATOM 427 O ARG A 30 -4.304 2.617 -5.533 1.00 0.24 O ATOM 428 CB ARG A 30 -7.094 1.123 -5.056 1.00 0.24 C ATOM 429 CG ARG A 30 -7.046 1.755 -6.450 1.00 0.24 C ATOM 430 CD ARG A 30 -8.470 2.064 -6.920 1.00 0.24 C ATOM 431 NE ARG A 30 -9.119 0.729 -7.077 1.00 0.24 N ATOM 432 CZ ARG A 30 -10.248 0.602 -7.737 1.00 0.24 C ATOM 433 NH1 ARG A 30 -10.835 1.641 -8.276 1.00 0.24 N ATOM 434 NH2 ARG A 30 -10.791 -0.578 -7.857 1.00 0.24 N ATOM 0 H ARG A 30 -6.868 3.645 -4.903 1.00 0.24 H new ATOM 0 HA ARG A 30 -6.013 1.327 -3.163 1.00 0.24 H new ATOM 0 HB2 ARG A 30 -6.872 0.058 -5.122 1.00 0.24 H new ATOM 0 HB3 ARG A 30 -8.097 1.215 -4.640 1.00 0.24 H new ATOM 0 HG2 ARG A 30 -6.453 2.669 -6.426 1.00 0.24 H new ATOM 0 HG3 ARG A 30 -6.559 1.078 -7.151 1.00 0.24 H new ATOM 0 HD2 ARG A 30 -9.001 2.679 -6.194 1.00 0.24 H new ATOM 0 HD3 ARG A 30 -8.465 2.614 -7.861 1.00 0.24 H new ATOM 0 HE ARG A 30 -8.680 -0.095 -6.667 1.00 0.24 H new ATOM 0 HH11 ARG A 30 -10.416 2.567 -8.187 1.00 0.24 H new ATOM 0 HH12 ARG A 30 -11.711 1.525 -8.785 1.00 0.24 H new ATOM 0 HH21 ARG A 30 -10.339 -1.392 -7.440 1.00 0.24 H new ATOM 0 HH22 ARG A 30 -11.667 -0.687 -8.368 1.00 0.24 H new ATOM 448 N PHE A 31 -3.899 0.773 -4.405 1.00 0.28 N ATOM 449 CA PHE A 31 -2.518 0.668 -4.966 1.00 0.28 C ATOM 450 C PHE A 31 -2.533 0.846 -6.487 1.00 0.28 C ATOM 451 O PHE A 31 -1.713 1.547 -7.046 1.00 0.28 O ATOM 452 CB PHE A 31 -2.059 -0.746 -4.603 1.00 0.28 C ATOM 453 CG PHE A 31 -0.731 -0.679 -3.887 1.00 0.28 C ATOM 454 CD1 PHE A 31 -0.624 0.015 -2.676 1.00 0.28 C ATOM 455 CD2 PHE A 31 0.391 -1.314 -4.432 1.00 0.28 C ATOM 456 CE1 PHE A 31 0.606 0.075 -2.011 1.00 0.28 C ATOM 457 CE2 PHE A 31 1.621 -1.254 -3.767 1.00 0.28 C ATOM 458 CZ PHE A 31 1.729 -0.559 -2.557 1.00 0.28 C ATOM 0 H PHE A 31 -4.160 0.029 -3.757 1.00 0.28 H new ATOM 0 HA PHE A 31 -1.856 1.438 -4.569 1.00 0.28 H new ATOM 0 HB2 PHE A 31 -2.802 -1.229 -3.968 1.00 0.28 H new ATOM 0 HB3 PHE A 31 -1.968 -1.352 -5.504 1.00 0.28 H new ATOM 0 HD1 PHE A 31 -1.490 0.504 -2.255 1.00 0.28 H new ATOM 0 HD2 PHE A 31 0.308 -1.850 -5.366 1.00 0.28 H new ATOM 0 HE1 PHE A 31 0.689 0.610 -1.077 1.00 0.28 H new ATOM 0 HE2 PHE A 31 2.487 -1.744 -4.188 1.00 0.28 H new ATOM 0 HZ PHE A 31 2.678 -0.512 -2.044 1.00 0.28 H new ATOM 468 N GLU A 32 -3.454 0.214 -7.160 1.00 0.31 N ATOM 469 CA GLU A 32 -3.516 0.350 -8.643 1.00 0.31 C ATOM 470 C GLU A 32 -3.570 1.827 -9.037 1.00 0.31 C ATOM 471 O GLU A 32 -2.829 2.281 -9.886 1.00 0.31 O ATOM 472 CB GLU A 32 -4.806 -0.360 -9.050 1.00 0.31 C ATOM 473 CG GLU A 32 -5.012 -0.217 -10.559 1.00 0.31 C ATOM 474 CD GLU A 32 -6.160 0.758 -10.828 1.00 0.31 C ATOM 475 OE1 GLU A 32 -7.253 0.503 -10.351 1.00 0.31 O ATOM 476 OE2 GLU A 32 -5.927 1.743 -11.511 1.00 0.31 O ATOM 0 H GLU A 32 -4.166 -0.390 -6.748 1.00 0.31 H new ATOM 0 HA GLU A 32 -2.642 -0.077 -9.134 1.00 0.31 H new ATOM 0 HB2 GLU A 32 -4.755 -1.414 -8.777 1.00 0.31 H new ATOM 0 HB3 GLU A 32 -5.654 0.067 -8.514 1.00 0.31 H new ATOM 0 HG2 GLU A 32 -4.097 0.144 -11.029 1.00 0.31 H new ATOM 0 HG3 GLU A 32 -5.235 -1.189 -11.000 1.00 0.31 H new ATOM 483 N ASP A 33 -4.437 2.583 -8.420 1.00 0.25 N ATOM 484 CA ASP A 33 -4.530 4.031 -8.751 1.00 0.25 C ATOM 485 C ASP A 33 -3.244 4.751 -8.340 1.00 0.25 C ATOM 486 O ASP A 33 -2.919 5.803 -8.853 1.00 0.25 O ATOM 487 CB ASP A 33 -5.716 4.544 -7.929 1.00 0.25 C ATOM 488 CG ASP A 33 -5.906 6.040 -8.189 1.00 0.25 C ATOM 489 OD1 ASP A 33 -6.066 6.406 -9.341 1.00 0.25 O ATOM 490 OD2 ASP A 33 -5.889 6.795 -7.230 1.00 0.25 O ATOM 0 H ASP A 33 -5.084 2.259 -7.701 1.00 0.25 H new ATOM 0 HA ASP A 33 -4.664 4.205 -9.819 1.00 0.25 H new ATOM 0 HB2 ASP A 33 -6.621 3.999 -8.197 1.00 0.25 H new ATOM 0 HB3 ASP A 33 -5.540 4.368 -6.868 1.00 0.25 H new ATOM 495 N ILE A 34 -2.512 4.189 -7.418 1.00 0.26 N ATOM 496 CA ILE A 34 -1.243 4.830 -6.970 1.00 0.26 C ATOM 497 C ILE A 34 -0.114 4.520 -7.969 1.00 0.26 C ATOM 498 O ILE A 34 0.317 3.388 -8.071 1.00 0.26 O ATOM 499 CB ILE A 34 -0.957 4.193 -5.604 1.00 0.26 C ATOM 500 CG1 ILE A 34 -2.000 4.676 -4.592 1.00 0.26 C ATOM 501 CG2 ILE A 34 0.438 4.590 -5.119 1.00 0.26 C ATOM 502 CD1 ILE A 34 -2.103 3.670 -3.443 1.00 0.26 C ATOM 0 H ILE A 34 -2.739 3.310 -6.954 1.00 0.26 H new ATOM 0 HA ILE A 34 -1.314 5.916 -6.909 1.00 0.26 H new ATOM 0 HB ILE A 34 -1.006 3.108 -5.700 1.00 0.26 H new ATOM 0 HG12 ILE A 34 -1.721 5.657 -4.207 1.00 0.26 H new ATOM 0 HG13 ILE A 34 -2.969 4.789 -5.078 1.00 0.26 H new ATOM 0 HG21 ILE A 34 0.630 4.132 -4.149 1.00 0.26 H new ATOM 0 HG22 ILE A 34 1.184 4.247 -5.836 1.00 0.26 H new ATOM 0 HG23 ILE A 34 0.496 5.674 -5.026 1.00 0.26 H new ATOM 0 HD11 ILE A 34 -2.845 4.015 -2.723 1.00 0.26 H new ATOM 0 HD12 ILE A 34 -2.402 2.698 -3.836 1.00 0.26 H new ATOM 0 HD13 ILE A 34 -1.135 3.580 -2.950 1.00 0.26 H new ATOM 514 N PRO A 35 0.328 5.531 -8.682 1.00 0.34 N ATOM 515 CA PRO A 35 1.404 5.333 -9.686 1.00 0.34 C ATOM 516 C PRO A 35 2.738 5.032 -9.002 1.00 0.34 C ATOM 517 O PRO A 35 2.800 4.797 -7.812 1.00 0.34 O ATOM 518 CB PRO A 35 1.471 6.672 -10.420 1.00 0.34 C ATOM 519 CG PRO A 35 0.871 7.667 -9.480 1.00 0.34 C ATOM 520 CD PRO A 35 -0.134 6.928 -8.638 1.00 0.34 C ATOM 0 HA PRO A 35 1.206 4.493 -10.351 1.00 0.34 H new ATOM 0 HB2 PRO A 35 2.500 6.934 -10.667 1.00 0.34 H new ATOM 0 HB3 PRO A 35 0.918 6.634 -11.359 1.00 0.34 H new ATOM 0 HG2 PRO A 35 1.641 8.119 -8.854 1.00 0.34 H new ATOM 0 HG3 PRO A 35 0.392 8.477 -10.030 1.00 0.34 H new ATOM 0 HD2 PRO A 35 -0.158 7.309 -7.617 1.00 0.34 H new ATOM 0 HD3 PRO A 35 -1.143 7.028 -9.039 1.00 0.34 H new ATOM 528 N ASP A 36 3.811 5.039 -9.748 1.00 0.37 N ATOM 529 CA ASP A 36 5.143 4.756 -9.145 1.00 0.37 C ATOM 530 C ASP A 36 5.600 5.933 -8.278 1.00 0.37 C ATOM 531 O ASP A 36 6.483 5.800 -7.454 1.00 0.37 O ATOM 532 CB ASP A 36 6.085 4.577 -10.338 1.00 0.37 C ATOM 533 CG ASP A 36 7.330 3.806 -9.894 1.00 0.37 C ATOM 534 OD1 ASP A 36 7.240 3.091 -8.909 1.00 0.37 O ATOM 535 OD2 ASP A 36 8.353 3.944 -10.545 1.00 0.37 O ATOM 0 H ASP A 36 3.821 5.229 -10.750 1.00 0.37 H new ATOM 0 HA ASP A 36 5.123 3.878 -8.500 1.00 0.37 H new ATOM 0 HB2 ASP A 36 5.577 4.039 -11.138 1.00 0.37 H new ATOM 0 HB3 ASP A 36 6.370 5.550 -10.739 1.00 0.37 H new ATOM 540 N ASP A 37 5.005 7.084 -8.450 1.00 0.39 N ATOM 541 CA ASP A 37 5.410 8.261 -7.628 1.00 0.39 C ATOM 542 C ASP A 37 5.379 7.901 -6.140 1.00 0.39 C ATOM 543 O ASP A 37 6.152 8.408 -5.352 1.00 0.39 O ATOM 544 CB ASP A 37 4.364 9.333 -7.937 1.00 0.39 C ATOM 545 CG ASP A 37 4.826 10.676 -7.367 1.00 0.39 C ATOM 546 OD1 ASP A 37 5.544 11.377 -8.061 1.00 0.39 O ATOM 547 OD2 ASP A 37 4.452 10.982 -6.246 1.00 0.39 O ATOM 0 H ASP A 37 4.258 7.259 -9.122 1.00 0.39 H new ATOM 0 HA ASP A 37 6.422 8.596 -7.855 1.00 0.39 H new ATOM 0 HB2 ASP A 37 4.218 9.414 -9.014 1.00 0.39 H new ATOM 0 HB3 ASP A 37 3.403 9.054 -7.505 1.00 0.39 H new ATOM 552 N TRP A 38 4.496 7.022 -5.756 1.00 0.25 N ATOM 553 CA TRP A 38 4.415 6.619 -4.325 1.00 0.25 C ATOM 554 C TRP A 38 5.457 5.536 -4.023 1.00 0.25 C ATOM 555 O TRP A 38 5.952 4.873 -4.912 1.00 0.25 O ATOM 556 CB TRP A 38 2.994 6.067 -4.158 1.00 0.25 C ATOM 557 CG TRP A 38 2.832 5.485 -2.790 1.00 0.25 C ATOM 558 CD1 TRP A 38 2.442 6.172 -1.693 1.00 0.25 C ATOM 559 CD2 TRP A 38 3.048 4.111 -2.358 1.00 0.25 C ATOM 560 NE1 TRP A 38 2.413 5.308 -0.612 1.00 0.25 N ATOM 561 CE2 TRP A 38 2.771 4.025 -0.974 1.00 0.25 C ATOM 562 CE3 TRP A 38 3.454 2.943 -3.027 1.00 0.25 C ATOM 563 CZ2 TRP A 38 2.892 2.822 -0.278 1.00 0.25 C ATOM 564 CZ3 TRP A 38 3.578 1.730 -2.329 1.00 0.25 C ATOM 565 CH2 TRP A 38 3.297 1.670 -0.957 1.00 0.25 C ATOM 0 H TRP A 38 3.825 6.564 -6.373 1.00 0.25 H new ATOM 0 HA TRP A 38 4.615 7.446 -3.644 1.00 0.25 H new ATOM 0 HB2 TRP A 38 2.265 6.862 -4.313 1.00 0.25 H new ATOM 0 HB3 TRP A 38 2.800 5.305 -4.912 1.00 0.25 H new ATOM 0 HD1 TRP A 38 2.194 7.223 -1.665 1.00 0.25 H new ATOM 0 HE1 TRP A 38 2.158 5.585 0.336 1.00 0.25 H new ATOM 0 HE3 TRP A 38 3.672 2.978 -4.084 1.00 0.25 H new ATOM 0 HZ2 TRP A 38 2.674 2.781 0.779 1.00 0.25 H new ATOM 0 HZ3 TRP A 38 3.892 0.839 -2.852 1.00 0.25 H new ATOM 0 HH2 TRP A 38 3.393 0.735 -0.426 1.00 0.25 H new ATOM 576 N CYS A 39 5.786 5.349 -2.775 1.00 0.11 N ATOM 577 CA CYS A 39 6.789 4.307 -2.415 1.00 0.11 C ATOM 578 C CYS A 39 6.695 3.969 -0.928 1.00 0.11 C ATOM 579 O CYS A 39 5.701 4.231 -0.281 1.00 0.11 O ATOM 580 CB CYS A 39 8.147 4.934 -2.734 1.00 0.11 C ATOM 581 SG CYS A 39 8.340 6.470 -1.798 1.00 0.11 S ATOM 0 H CYS A 39 5.403 5.873 -1.988 1.00 0.11 H new ATOM 0 HA CYS A 39 6.628 3.378 -2.962 1.00 0.11 H new ATOM 0 HB2 CYS A 39 8.948 4.239 -2.482 1.00 0.11 H new ATOM 0 HB3 CYS A 39 8.224 5.135 -3.803 1.00 0.11 H new ATOM 0 HG CYS A 39 8.525 6.192 -0.542 1.00 0.11 H new ATOM 587 N CYS A 40 7.726 3.388 -0.382 1.00 0.31 N ATOM 588 CA CYS A 40 7.697 3.026 1.063 1.00 0.31 C ATOM 589 C CYS A 40 8.154 4.212 1.921 1.00 0.31 C ATOM 590 O CYS A 40 8.802 5.114 1.429 1.00 0.31 O ATOM 591 CB CYS A 40 8.679 1.862 1.199 1.00 0.31 C ATOM 592 SG CYS A 40 7.891 0.508 2.103 1.00 0.31 S ATOM 0 H CYS A 40 8.587 3.148 -0.873 1.00 0.31 H new ATOM 0 HA CYS A 40 6.695 2.760 1.399 1.00 0.31 H new ATOM 0 HB2 CYS A 40 8.993 1.520 0.213 1.00 0.31 H new ATOM 0 HB3 CYS A 40 9.577 2.189 1.724 1.00 0.31 H new ATOM 597 N PRO A 41 7.814 4.169 3.188 1.00 0.59 N ATOM 598 CA PRO A 41 8.182 5.271 4.107 1.00 0.59 C ATOM 599 C PRO A 41 9.676 5.229 4.442 1.00 0.59 C ATOM 600 O PRO A 41 10.259 6.222 4.829 1.00 0.59 O ATOM 601 CB PRO A 41 7.352 5.005 5.370 1.00 0.59 C ATOM 602 CG PRO A 41 6.435 3.866 5.039 1.00 0.59 C ATOM 603 CD PRO A 41 7.025 3.137 3.866 1.00 0.59 C ATOM 0 HA PRO A 41 7.989 6.251 3.670 1.00 0.59 H new ATOM 0 HB2 PRO A 41 7.996 4.753 6.213 1.00 0.59 H new ATOM 0 HB3 PRO A 41 6.784 5.891 5.656 1.00 0.59 H new ATOM 0 HG2 PRO A 41 6.331 3.197 5.893 1.00 0.59 H new ATOM 0 HG3 PRO A 41 5.437 4.234 4.799 1.00 0.59 H new ATOM 0 HD2 PRO A 41 7.647 2.300 4.184 1.00 0.59 H new ATOM 0 HD3 PRO A 41 6.251 2.730 3.215 1.00 0.59 H new ATOM 611 N ASP A 42 10.301 4.089 4.314 1.00 0.57 N ATOM 612 CA ASP A 42 11.750 4.002 4.656 1.00 0.57 C ATOM 613 C ASP A 42 12.506 3.135 3.645 1.00 0.57 C ATOM 614 O ASP A 42 13.490 2.503 3.973 1.00 0.57 O ATOM 615 CB ASP A 42 11.784 3.350 6.039 1.00 0.57 C ATOM 616 CG ASP A 42 11.351 4.371 7.094 1.00 0.57 C ATOM 617 OD1 ASP A 42 11.544 5.552 6.860 1.00 0.57 O ATOM 618 OD2 ASP A 42 10.836 3.952 8.117 1.00 0.57 O ATOM 0 H ASP A 42 9.875 3.221 3.990 1.00 0.57 H new ATOM 0 HA ASP A 42 12.228 4.982 4.640 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.122 2.485 6.061 1.00 0.57 H new ATOM 0 HB3 ASP A 42 12.789 2.988 6.258 1.00 0.57 H new ATOM 623 N CYS A 43 12.068 3.106 2.416 1.00 0.39 N ATOM 624 CA CYS A 43 12.785 2.289 1.393 1.00 0.39 C ATOM 625 C CYS A 43 12.810 3.023 0.052 1.00 0.39 C ATOM 626 O CYS A 43 13.829 3.101 -0.606 1.00 0.39 O ATOM 627 CB CYS A 43 11.980 0.993 1.269 1.00 0.39 C ATOM 628 SG CYS A 43 11.825 0.207 2.893 1.00 0.39 S ATOM 0 H CYS A 43 11.249 3.610 2.076 1.00 0.39 H new ATOM 0 HA CYS A 43 13.820 2.100 1.678 1.00 0.39 H new ATOM 0 HB2 CYS A 43 10.991 1.206 0.862 1.00 0.39 H new ATOM 0 HB3 CYS A 43 12.472 0.314 0.572 1.00 0.39 H new ATOM 633 N GLY A 44 11.694 3.556 -0.361 1.00 0.22 N ATOM 634 CA GLY A 44 11.649 4.278 -1.662 1.00 0.22 C ATOM 635 C GLY A 44 11.536 3.267 -2.803 1.00 0.22 C ATOM 636 O GLY A 44 11.986 3.506 -3.906 1.00 0.22 O ATOM 0 H GLY A 44 10.810 3.522 0.147 1.00 0.22 H new ATOM 0 HA2 GLY A 44 10.800 4.961 -1.682 1.00 0.22 H new ATOM 0 HA3 GLY A 44 12.547 4.883 -1.786 1.00 0.22 H new ATOM 640 N ALA A 45 10.939 2.135 -2.547 1.00 0.12 N ATOM 641 CA ALA A 45 10.796 1.108 -3.616 1.00 0.12 C ATOM 642 C ALA A 45 9.380 1.136 -4.194 1.00 0.12 C ATOM 643 O ALA A 45 8.594 2.011 -3.891 1.00 0.12 O ATOM 644 CB ALA A 45 11.062 -0.226 -2.917 1.00 0.12 C ATOM 0 H ALA A 45 10.544 1.877 -1.643 1.00 0.12 H new ATOM 0 HA ALA A 45 11.480 1.279 -4.447 1.00 0.12 H new ATOM 0 HB1 ALA A 45 10.976 -1.038 -3.639 1.00 0.12 H new ATOM 0 HB2 ALA A 45 12.067 -0.221 -2.494 1.00 0.12 H new ATOM 0 HB3 ALA A 45 10.333 -0.370 -2.119 1.00 0.12 H new ATOM 650 N THR A 46 9.048 0.187 -5.026 1.00 0.17 N ATOM 651 CA THR A 46 7.682 0.162 -5.623 1.00 0.17 C ATOM 652 C THR A 46 6.869 -0.992 -5.040 1.00 0.17 C ATOM 653 O THR A 46 7.182 -1.522 -3.993 1.00 0.17 O ATOM 654 CB THR A 46 7.905 -0.060 -7.121 1.00 0.17 C ATOM 655 OG1 THR A 46 8.455 -1.352 -7.331 1.00 0.17 O ATOM 656 CG2 THR A 46 8.868 0.998 -7.663 1.00 0.17 C ATOM 0 H THR A 46 9.663 -0.572 -5.318 1.00 0.17 H new ATOM 0 HA THR A 46 7.132 1.080 -5.419 1.00 0.17 H new ATOM 0 HB THR A 46 6.951 0.020 -7.643 1.00 0.17 H new ATOM 0 HG1 THR A 46 8.596 -1.495 -8.290 1.00 0.17 H new ATOM 0 HG21 THR A 46 9.024 0.836 -8.730 1.00 0.17 H new ATOM 0 HG22 THR A 46 8.445 1.990 -7.505 1.00 0.17 H new ATOM 0 HG23 THR A 46 9.822 0.923 -7.141 1.00 0.17 H new ATOM 664 N LYS A 47 5.835 -1.396 -5.723 1.00 0.33 N ATOM 665 CA LYS A 47 5.009 -2.528 -5.222 1.00 0.33 C ATOM 666 C LYS A 47 5.874 -3.780 -5.050 1.00 0.33 C ATOM 667 O LYS A 47 5.514 -4.702 -4.347 1.00 0.33 O ATOM 668 CB LYS A 47 3.954 -2.752 -6.309 1.00 0.33 C ATOM 669 CG LYS A 47 3.042 -3.913 -5.908 1.00 0.33 C ATOM 670 CD LYS A 47 2.352 -4.471 -7.154 1.00 0.33 C ATOM 671 CE LYS A 47 1.337 -3.451 -7.674 1.00 0.33 C ATOM 672 NZ LYS A 47 0.549 -4.187 -8.701 1.00 0.33 N ATOM 0 H LYS A 47 5.526 -0.991 -6.607 1.00 0.33 H new ATOM 0 HA LYS A 47 4.561 -2.317 -4.251 1.00 0.33 H new ATOM 0 HB2 LYS A 47 3.365 -1.846 -6.450 1.00 0.33 H new ATOM 0 HB3 LYS A 47 4.439 -2.969 -7.261 1.00 0.33 H new ATOM 0 HG2 LYS A 47 3.624 -4.695 -5.420 1.00 0.33 H new ATOM 0 HG3 LYS A 47 2.298 -3.573 -5.188 1.00 0.33 H new ATOM 0 HD2 LYS A 47 3.091 -4.690 -7.925 1.00 0.33 H new ATOM 0 HD3 LYS A 47 1.851 -5.410 -6.916 1.00 0.33 H new ATOM 0 HE2 LYS A 47 0.697 -3.086 -6.871 1.00 0.33 H new ATOM 0 HE3 LYS A 47 1.835 -2.582 -8.105 1.00 0.33 H new ATOM 0 HZ1 LYS A 47 -0.170 -3.554 -9.106 1.00 0.33 H new ATOM 0 HZ2 LYS A 47 1.184 -4.517 -9.455 1.00 0.33 H new ATOM 0 HZ3 LYS A 47 0.082 -5.005 -8.260 1.00 0.33 H new ATOM 686 N GLU A 48 7.023 -3.817 -5.677 1.00 0.43 N ATOM 687 CA GLU A 48 7.907 -5.011 -5.544 1.00 0.43 C ATOM 688 C GLU A 48 8.101 -5.375 -4.069 1.00 0.43 C ATOM 689 O GLU A 48 7.958 -6.517 -3.678 1.00 0.43 O ATOM 690 CB GLU A 48 9.238 -4.583 -6.165 1.00 0.43 C ATOM 691 CG GLU A 48 9.044 -4.332 -7.662 1.00 0.43 C ATOM 692 CD GLU A 48 9.157 -5.655 -8.425 1.00 0.43 C ATOM 693 OE1 GLU A 48 9.087 -6.693 -7.790 1.00 0.43 O ATOM 694 OE2 GLU A 48 9.307 -5.605 -9.635 1.00 0.43 O ATOM 0 H GLU A 48 7.385 -3.073 -6.274 1.00 0.43 H new ATOM 0 HA GLU A 48 7.486 -5.890 -6.032 1.00 0.43 H new ATOM 0 HB2 GLU A 48 9.605 -3.679 -5.678 1.00 0.43 H new ATOM 0 HB3 GLU A 48 9.990 -5.357 -6.009 1.00 0.43 H new ATOM 0 HG2 GLU A 48 8.069 -3.880 -7.841 1.00 0.43 H new ATOM 0 HG3 GLU A 48 9.793 -3.628 -8.023 1.00 0.43 H new ATOM 701 N ASP A 49 8.418 -4.414 -3.247 1.00 0.43 N ATOM 702 CA ASP A 49 8.604 -4.703 -1.798 1.00 0.43 C ATOM 703 C ASP A 49 7.249 -4.959 -1.133 1.00 0.43 C ATOM 704 O ASP A 49 7.166 -5.561 -0.081 1.00 0.43 O ATOM 705 CB ASP A 49 9.245 -3.436 -1.226 1.00 0.43 C ATOM 706 CG ASP A 49 10.767 -3.538 -1.338 1.00 0.43 C ATOM 707 OD1 ASP A 49 11.231 -4.184 -2.263 1.00 0.43 O ATOM 708 OD2 ASP A 49 11.442 -2.967 -0.498 1.00 0.43 O ATOM 0 H ASP A 49 8.556 -3.440 -3.516 1.00 0.43 H new ATOM 0 HA ASP A 49 9.217 -5.588 -1.627 1.00 0.43 H new ATOM 0 HB2 ASP A 49 8.888 -2.559 -1.767 1.00 0.43 H new ATOM 0 HB3 ASP A 49 8.954 -3.308 -0.183 1.00 0.43 H new ATOM 713 N TYR A 50 6.186 -4.507 -1.742 1.00 0.47 N ATOM 714 CA TYR A 50 4.840 -4.707 -1.147 1.00 0.47 C ATOM 715 C TYR A 50 4.163 -5.942 -1.741 1.00 0.47 C ATOM 716 O TYR A 50 4.202 -6.174 -2.932 1.00 0.47 O ATOM 717 CB TYR A 50 4.072 -3.447 -1.537 1.00 0.47 C ATOM 718 CG TYR A 50 4.266 -2.389 -0.478 1.00 0.47 C ATOM 719 CD1 TYR A 50 3.491 -2.412 0.688 1.00 0.47 C ATOM 720 CD2 TYR A 50 5.223 -1.387 -0.665 1.00 0.47 C ATOM 721 CE1 TYR A 50 3.675 -1.428 1.668 1.00 0.47 C ATOM 722 CE2 TYR A 50 5.409 -0.405 0.314 1.00 0.47 C ATOM 723 CZ TYR A 50 4.634 -0.424 1.481 1.00 0.47 C ATOM 724 OH TYR A 50 4.816 0.546 2.445 1.00 0.47 O ATOM 0 H TYR A 50 6.196 -4.006 -2.630 1.00 0.47 H new ATOM 0 HA TYR A 50 4.881 -4.864 -0.069 1.00 0.47 H new ATOM 0 HB2 TYR A 50 4.422 -3.079 -2.502 1.00 0.47 H new ATOM 0 HB3 TYR A 50 3.012 -3.675 -1.648 1.00 0.47 H new ATOM 0 HD1 TYR A 50 2.753 -3.187 0.832 1.00 0.47 H new ATOM 0 HD2 TYR A 50 5.819 -1.371 -1.566 1.00 0.47 H new ATOM 0 HE1 TYR A 50 3.078 -1.443 2.568 1.00 0.47 H new ATOM 0 HE2 TYR A 50 6.150 0.368 0.170 1.00 0.47 H new ATOM 0 HH TYR A 50 5.764 0.790 2.488 1.00 0.47 H new ATOM 734 N VAL A 51 3.528 -6.727 -0.917 1.00 0.49 N ATOM 735 CA VAL A 51 2.824 -7.935 -1.431 1.00 0.49 C ATOM 736 C VAL A 51 1.359 -7.911 -0.992 1.00 0.49 C ATOM 737 O VAL A 51 0.995 -7.239 -0.047 1.00 0.49 O ATOM 738 CB VAL A 51 3.557 -9.120 -0.798 1.00 0.49 C ATOM 739 CG1 VAL A 51 2.832 -10.422 -1.150 1.00 0.49 C ATOM 740 CG2 VAL A 51 4.988 -9.176 -1.335 1.00 0.49 C ATOM 0 H VAL A 51 3.466 -6.585 0.091 1.00 0.49 H new ATOM 0 HA VAL A 51 2.831 -7.989 -2.520 1.00 0.49 H new ATOM 0 HB VAL A 51 3.575 -8.997 0.285 1.00 0.49 H new ATOM 0 HG11 VAL A 51 3.356 -11.264 -0.698 1.00 0.49 H new ATOM 0 HG12 VAL A 51 1.811 -10.384 -0.770 1.00 0.49 H new ATOM 0 HG13 VAL A 51 2.812 -10.546 -2.233 1.00 0.49 H new ATOM 0 HG21 VAL A 51 5.512 -10.019 -0.886 1.00 0.49 H new ATOM 0 HG22 VAL A 51 4.966 -9.298 -2.418 1.00 0.49 H new ATOM 0 HG23 VAL A 51 5.507 -8.251 -1.085 1.00 0.49 H new ATOM 750 N LEU A 52 0.512 -8.629 -1.676 1.00 0.57 N ATOM 751 CA LEU A 52 -0.925 -8.642 -1.295 1.00 0.57 C ATOM 752 C LEU A 52 -1.118 -9.434 -0.003 1.00 0.57 C ATOM 753 O LEU A 52 -1.143 -10.648 -0.002 1.00 0.57 O ATOM 754 CB LEU A 52 -1.623 -9.334 -2.466 1.00 0.57 C ATOM 755 CG LEU A 52 -3.049 -8.795 -2.613 1.00 0.57 C ATOM 756 CD1 LEU A 52 -3.811 -9.011 -1.306 1.00 0.57 C ATOM 757 CD2 LEU A 52 -2.999 -7.301 -2.937 1.00 0.57 C ATOM 0 H LEU A 52 0.754 -9.206 -2.481 1.00 0.57 H new ATOM 0 HA LEU A 52 -1.323 -7.644 -1.112 1.00 0.57 H new ATOM 0 HB2 LEU A 52 -1.064 -9.164 -3.386 1.00 0.57 H new ATOM 0 HB3 LEU A 52 -1.647 -10.411 -2.302 1.00 0.57 H new ATOM 0 HG LEU A 52 -3.557 -9.323 -3.420 1.00 0.57 H new ATOM 0 HD11 LEU A 52 -4.826 -8.628 -1.409 1.00 0.57 H new ATOM 0 HD12 LEU A 52 -3.847 -10.076 -1.077 1.00 0.57 H new ATOM 0 HD13 LEU A 52 -3.304 -8.483 -0.498 1.00 0.57 H new ATOM 0 HD21 LEU A 52 -4.014 -6.917 -3.042 1.00 0.57 H new ATOM 0 HD22 LEU A 52 -2.492 -6.771 -2.131 1.00 0.57 H new ATOM 0 HD23 LEU A 52 -2.456 -7.149 -3.870 1.00 0.57 H new ATOM 769 N TYR A 53 -1.241 -8.751 1.099 1.00 0.57 N ATOM 770 CA TYR A 53 -1.418 -9.456 2.400 1.00 0.57 C ATOM 771 C TYR A 53 -2.578 -10.449 2.318 1.00 0.57 C ATOM 772 O TYR A 53 -3.638 -10.142 1.810 1.00 0.57 O ATOM 773 CB TYR A 53 -1.733 -8.351 3.409 1.00 0.57 C ATOM 774 CG TYR A 53 -1.530 -8.879 4.810 1.00 0.57 C ATOM 775 CD1 TYR A 53 -0.235 -9.106 5.292 1.00 0.57 C ATOM 776 CD2 TYR A 53 -2.636 -9.145 5.625 1.00 0.57 C ATOM 777 CE1 TYR A 53 -0.047 -9.597 6.589 1.00 0.57 C ATOM 778 CE2 TYR A 53 -2.449 -9.635 6.922 1.00 0.57 C ATOM 779 CZ TYR A 53 -1.154 -9.862 7.405 1.00 0.57 C ATOM 780 OH TYR A 53 -0.969 -10.346 8.683 1.00 0.57 O ATOM 0 H TYR A 53 -1.227 -7.733 1.156 1.00 0.57 H new ATOM 0 HA TYR A 53 -0.533 -10.028 2.679 1.00 0.57 H new ATOM 0 HB2 TYR A 53 -1.087 -7.490 3.236 1.00 0.57 H new ATOM 0 HB3 TYR A 53 -2.760 -8.010 3.282 1.00 0.57 H new ATOM 0 HD1 TYR A 53 0.619 -8.902 4.663 1.00 0.57 H new ATOM 0 HD2 TYR A 53 -3.635 -8.972 5.252 1.00 0.57 H new ATOM 0 HE1 TYR A 53 0.952 -9.772 6.961 1.00 0.57 H new ATOM 0 HE2 TYR A 53 -3.303 -9.838 7.551 1.00 0.57 H new ATOM 0 HH TYR A 53 -1.840 -10.474 9.114 1.00 0.57 H new ATOM 790 N GLU A 54 -2.388 -11.638 2.822 1.00 0.28 N ATOM 791 CA GLU A 54 -3.481 -12.650 2.778 1.00 0.28 C ATOM 792 C GLU A 54 -4.225 -12.686 4.115 1.00 0.28 C ATOM 793 O GLU A 54 -3.715 -13.167 5.108 1.00 0.28 O ATOM 794 CB GLU A 54 -2.769 -13.981 2.527 1.00 0.28 C ATOM 795 CG GLU A 54 -3.805 -15.098 2.398 1.00 0.28 C ATOM 796 CD GLU A 54 -3.938 -15.500 0.927 1.00 0.28 C ATOM 797 OE1 GLU A 54 -2.914 -15.671 0.285 1.00 0.28 O ATOM 798 OE2 GLU A 54 -5.060 -15.632 0.468 1.00 0.28 O ATOM 0 H GLU A 54 -1.523 -11.952 3.262 1.00 0.28 H new ATOM 0 HA GLU A 54 -4.222 -12.427 2.010 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -2.170 -13.919 1.618 1.00 0.28 H new ATOM 0 HB3 GLU A 54 -2.084 -14.199 3.346 1.00 0.28 H new ATOM 0 HG2 GLU A 54 -3.505 -15.958 2.996 1.00 0.28 H new ATOM 0 HG3 GLU A 54 -4.768 -14.762 2.783 1.00 0.28 H new ATOM 805 N GLU A 55 -5.427 -12.180 4.150 1.00 0.28 N ATOM 806 CA GLU A 55 -6.202 -12.185 5.423 1.00 0.28 C ATOM 807 C GLU A 55 -7.376 -13.160 5.328 1.00 0.28 C ATOM 808 O GLU A 55 -8.395 -12.864 4.735 1.00 0.28 O ATOM 809 CB GLU A 55 -6.711 -10.751 5.578 1.00 0.28 C ATOM 810 CG GLU A 55 -6.626 -10.335 7.048 1.00 0.28 C ATOM 811 CD GLU A 55 -7.500 -9.102 7.282 1.00 0.28 C ATOM 812 OE1 GLU A 55 -8.699 -9.203 7.083 1.00 0.28 O ATOM 813 OE2 GLU A 55 -6.955 -8.076 7.656 1.00 0.28 O ATOM 0 H GLU A 55 -5.906 -11.763 3.352 1.00 0.28 H new ATOM 0 HA GLU A 55 -5.597 -12.501 6.273 1.00 0.28 H new ATOM 0 HB2 GLU A 55 -6.117 -10.075 4.963 1.00 0.28 H new ATOM 0 HB3 GLU A 55 -7.741 -10.680 5.228 1.00 0.28 H new ATOM 0 HG2 GLU A 55 -6.955 -11.154 7.688 1.00 0.28 H new ATOM 0 HG3 GLU A 55 -5.592 -10.117 7.316 1.00 0.28 H new ATOM 820 N LYS A 56 -7.246 -14.320 5.910 1.00 0.46 N ATOM 821 CA LYS A 56 -8.356 -15.311 5.853 1.00 0.46 C ATOM 822 C LYS A 56 -8.172 -16.379 6.933 1.00 0.46 C ATOM 823 O LYS A 56 -9.107 -17.129 7.163 1.00 0.46 O ATOM 824 CB LYS A 56 -8.252 -15.937 4.461 1.00 0.46 C ATOM 825 CG LYS A 56 -9.370 -16.965 4.279 1.00 0.46 C ATOM 826 CD LYS A 56 -9.965 -16.830 2.876 1.00 0.46 C ATOM 827 CE LYS A 56 -10.902 -18.008 2.604 1.00 0.46 C ATOM 828 NZ LYS A 56 -10.025 -19.071 2.038 1.00 0.46 N ATOM 829 OXT LYS A 56 -7.100 -16.428 7.513 1.00 0.46 O ATOM 0 H LYS A 56 -6.418 -14.624 6.423 1.00 0.46 H new ATOM 0 HA LYS A 56 -9.329 -14.851 6.026 1.00 0.46 H new ATOM 0 HB2 LYS A 56 -8.327 -15.164 3.696 1.00 0.46 H new ATOM 0 HB3 LYS A 56 -7.280 -16.415 4.337 1.00 0.46 H new ATOM 0 HG2 LYS A 56 -8.979 -17.972 4.424 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -10.145 -16.812 5.030 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -10.510 -15.890 2.790 1.00 0.46 H new ATOM 0 HD3 LYS A 56 -9.168 -16.806 2.132 1.00 0.46 H new ATOM 0 HE2 LYS A 56 -11.390 -18.344 3.519 1.00 0.46 H new ATOM 0 HE3 LYS A 56 -11.691 -17.732 1.904 1.00 0.46 H new ATOM 0 HZ1 LYS A 56 -10.595 -19.914 1.825 1.00 0.46 H new ATOM 0 HZ2 LYS A 56 -9.579 -18.725 1.165 1.00 0.46 H new ATOM 0 HZ3 LYS A 56 -9.288 -19.317 2.729 1.00 0.46 H new TER 843 LYS A 56 HETATM 844 CD CD A 57 9.576 -0.976 3.140 1.00 0.30 CD