USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 24 MET CE :methyl 157:sc= -0.18 (180deg=-0.98) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 1.22 K(o=1.2,f=-5!) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0.924 (180deg=0.89) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0539) USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -159:sc= 0 (180deg=-0.434) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.0182 (180deg=-0.281) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.764 K(o=0.76,f=-3.4!) USER MOD Single : A 46 SER OG : rot -50:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.0111 K(o=0.011,f=-3.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 60 ASN : amide:sc= -1.36! C(o=-1.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -9.891 5.512 -0.979 1.00 0.00 N ATOM 41 CA LYS A 2 -9.993 4.335 -0.135 1.00 0.00 C ATOM 42 C LYS A 2 -8.995 3.281 -0.615 1.00 0.00 C ATOM 43 O LYS A 2 -8.900 3.008 -1.811 1.00 0.00 O ATOM 44 CB LYS A 2 -11.418 3.778 -0.146 1.00 0.00 C ATOM 45 CG LYS A 2 -11.977 3.510 -1.537 1.00 0.00 C ATOM 46 CD LYS A 2 -13.378 2.921 -1.466 1.00 0.00 C ATOM 47 CE LYS A 2 -13.947 2.674 -2.855 1.00 0.00 C ATOM 48 NZ LYS A 2 -15.352 2.188 -2.804 1.00 0.00 N ATOM 0 HA LYS A 2 -9.756 4.611 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.437 2.850 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.074 4.481 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.999 4.439 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.318 2.824 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.353 1.984 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.032 3.599 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.903 3.597 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.329 1.942 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.701 2.032 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.391 1.294 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.948 2.897 -2.331 1.00 0.00 H new ATOM 61 N CYS A 3 -8.273 2.716 0.341 1.00 0.00 N ATOM 62 CA CYS A 3 -7.297 1.684 0.032 1.00 0.00 C ATOM 63 C CYS A 3 -7.574 0.478 0.934 1.00 0.00 C ATOM 64 O CYS A 3 -8.328 0.579 1.900 1.00 0.00 O ATOM 65 CB CYS A 3 -5.864 2.194 0.187 1.00 0.00 C ATOM 66 SG CYS A 3 -5.487 3.717 -0.755 1.00 0.00 S ATOM 0 H CYS A 3 -8.344 2.953 1.331 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.395 1.388 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.671 2.380 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.177 1.409 -0.129 1.00 0.00 H new ATOM 71 N ASN A 4 -6.950 -0.637 0.583 1.00 0.00 N ATOM 72 CA ASN A 4 -7.156 -1.873 1.318 1.00 0.00 C ATOM 73 C ASN A 4 -6.048 -2.036 2.360 1.00 0.00 C ATOM 74 O ASN A 4 -4.887 -1.732 2.087 1.00 0.00 O ATOM 75 CB ASN A 4 -7.211 -3.076 0.393 1.00 0.00 C ATOM 76 CG ASN A 4 -8.409 -3.088 -0.515 1.00 0.00 C ATOM 77 OD1 ASN A 4 -9.555 -2.969 -0.065 1.00 0.00 O ATOM 78 ND2 ASN A 4 -8.158 -3.313 -1.779 1.00 0.00 N ATOM 0 H ASN A 4 -6.301 -0.710 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.121 -1.817 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.306 -3.097 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.213 -3.985 0.994 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.926 -3.398 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.194 -3.403 -2.099 1.00 0.00 H new ATOM 85 N LYS A 5 -6.444 -2.511 3.530 1.00 0.00 N ATOM 86 CA LYS A 5 -5.486 -2.798 4.584 1.00 0.00 C ATOM 87 C LYS A 5 -4.952 -4.221 4.410 1.00 0.00 C ATOM 88 O LYS A 5 -5.327 -4.917 3.468 1.00 0.00 O ATOM 89 CB LYS A 5 -6.125 -2.624 5.963 1.00 0.00 C ATOM 90 CG LYS A 5 -6.644 -1.220 6.244 1.00 0.00 C ATOM 91 CD LYS A 5 -5.568 -0.174 5.998 1.00 0.00 C ATOM 92 CE LYS A 5 -4.478 -0.238 7.058 1.00 0.00 C ATOM 93 NZ LYS A 5 -3.387 0.740 6.797 1.00 0.00 N ATOM 0 H LYS A 5 -7.416 -2.705 3.772 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.657 -2.093 4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.951 -3.329 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.392 -2.886 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.506 -1.015 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.987 -1.157 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.128 -0.327 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.018 0.819 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.913 -0.042 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.062 -1.245 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.727 0.747 7.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.876 0.468 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.794 1.689 6.675 1.00 0.00 H new ATOM 106 N LEU A 6 -4.084 -4.609 5.333 1.00 0.00 N ATOM 107 CA LEU A 6 -3.535 -5.953 5.323 1.00 0.00 C ATOM 108 C LEU A 6 -4.676 -6.965 5.192 1.00 0.00 C ATOM 109 O LEU A 6 -4.547 -7.963 4.482 1.00 0.00 O ATOM 110 CB LEU A 6 -2.715 -6.210 6.593 1.00 0.00 C ATOM 111 CG LEU A 6 -2.087 -7.606 6.695 1.00 0.00 C ATOM 112 CD1 LEU A 6 -1.200 -7.868 5.485 1.00 0.00 C ATOM 113 CD2 LEU A 6 -1.287 -7.712 7.985 1.00 0.00 C ATOM 0 H LEU A 6 -3.748 -4.016 6.092 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.865 -6.063 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.920 -5.467 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.358 -6.055 7.459 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.875 -8.359 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.758 -8.861 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.798 -7.810 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.408 -7.121 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.841 -8.704 8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.499 -6.959 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.947 -7.549 8.837 1.00 0.00 H new ATOM 125 N VAL A 7 -5.764 -6.674 5.887 1.00 0.00 N ATOM 126 CA VAL A 7 -6.985 -7.446 5.722 1.00 0.00 C ATOM 127 C VAL A 7 -7.647 -7.072 4.393 1.00 0.00 C ATOM 128 O VAL A 7 -8.026 -5.919 4.188 1.00 0.00 O ATOM 129 CB VAL A 7 -7.974 -7.209 6.879 1.00 0.00 C ATOM 130 CG1 VAL A 7 -9.259 -7.991 6.650 1.00 0.00 C ATOM 131 CG2 VAL A 7 -7.344 -7.600 8.208 1.00 0.00 C ATOM 0 H VAL A 7 -5.827 -5.915 6.566 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.718 -8.503 5.726 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.217 -6.147 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.946 -7.812 7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.721 -7.667 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.032 -9.055 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.057 -7.426 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.073 -8.655 8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.451 -6.999 8.378 1.00 0.00 H new ATOM 141 N PRO A 8 -7.766 -8.092 3.504 1.00 0.00 N ATOM 142 CA PRO A 8 -8.109 -7.838 2.115 1.00 0.00 C ATOM 143 C PRO A 8 -9.613 -7.616 1.953 1.00 0.00 C ATOM 144 O PRO A 8 -10.089 -7.333 0.855 1.00 0.00 O ATOM 145 CB PRO A 8 -7.624 -9.090 1.377 1.00 0.00 C ATOM 146 CG PRO A 8 -7.654 -10.165 2.409 1.00 0.00 C ATOM 147 CD PRO A 8 -7.274 -9.489 3.700 1.00 0.00 C ATOM 0 HA PRO A 8 -7.648 -6.932 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.272 -9.330 0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.620 -8.951 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.644 -10.616 2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.955 -10.965 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.745 -9.966 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.198 -9.518 3.869 1.00 0.00 H new ATOM 155 N ILE A 9 -10.322 -7.753 3.065 1.00 0.00 N ATOM 156 CA ILE A 9 -11.762 -7.562 3.063 1.00 0.00 C ATOM 157 C ILE A 9 -12.110 -6.329 3.901 1.00 0.00 C ATOM 158 O ILE A 9 -13.239 -6.192 4.369 1.00 0.00 O ATOM 159 CB ILE A 9 -12.505 -8.793 3.614 1.00 0.00 C ATOM 160 CG1 ILE A 9 -12.074 -9.076 5.055 1.00 0.00 C ATOM 161 CG2 ILE A 9 -12.252 -10.006 2.730 1.00 0.00 C ATOM 162 CD1 ILE A 9 -12.951 -10.082 5.768 1.00 0.00 C ATOM 0 H ILE A 9 -9.925 -7.994 3.973 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.082 -7.419 2.031 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.575 -8.583 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.047 -9.441 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.079 -8.142 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.784 -10.868 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.607 -9.801 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.184 -10.220 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.583 -10.230 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.975 -9.711 5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.927 -11.030 5.231 1.00 0.00 H new ATOM 174 N ALA A 10 -11.119 -5.467 4.067 1.00 0.00 N ATOM 175 CA ALA A 10 -11.311 -4.241 4.823 1.00 0.00 C ATOM 176 C ALA A 10 -10.526 -3.108 4.160 1.00 0.00 C ATOM 177 O ALA A 10 -9.341 -3.258 3.866 1.00 0.00 O ATOM 178 CB ALA A 10 -10.891 -4.467 6.277 1.00 0.00 C ATOM 0 H ALA A 10 -10.179 -5.593 3.691 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.363 -3.954 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.035 -3.548 6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.498 -5.261 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.840 -4.754 6.312 1.00 0.00 H new ATOM 184 N TYR A 11 -11.219 -2.000 3.940 1.00 0.00 N ATOM 185 CA TYR A 11 -10.573 -0.802 3.431 1.00 0.00 C ATOM 186 C TYR A 11 -10.675 0.345 4.438 1.00 0.00 C ATOM 187 O TYR A 11 -11.605 0.391 5.243 1.00 0.00 O ATOM 188 CB TYR A 11 -11.191 -0.391 2.094 1.00 0.00 C ATOM 189 CG TYR A 11 -12.659 -0.032 2.181 1.00 0.00 C ATOM 190 CD1 TYR A 11 -13.060 1.279 2.395 1.00 0.00 C ATOM 191 CD2 TYR A 11 -13.638 -1.005 2.047 1.00 0.00 C ATOM 192 CE1 TYR A 11 -14.398 1.612 2.476 1.00 0.00 C ATOM 193 CE2 TYR A 11 -14.979 -0.684 2.126 1.00 0.00 C ATOM 194 CZ TYR A 11 -15.355 0.626 2.340 1.00 0.00 C ATOM 195 OH TYR A 11 -16.690 0.953 2.419 1.00 0.00 O ATOM 0 H TYR A 11 -12.221 -1.907 4.105 1.00 0.00 H new ATOM 0 HA TYR A 11 -9.518 -1.026 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.641 0.463 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.068 -1.207 1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.313 2.052 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.347 -2.031 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.694 2.637 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -15.729 -1.454 2.021 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.232 0.145 2.302 1.00 0.00 H new ATOM 205 N LYS A 12 -9.706 1.245 4.362 1.00 0.00 N ATOM 206 CA LYS A 12 -9.739 2.452 5.171 1.00 0.00 C ATOM 207 C LYS A 12 -9.615 3.675 4.260 1.00 0.00 C ATOM 208 O LYS A 12 -8.994 3.604 3.201 1.00 0.00 O ATOM 209 CB LYS A 12 -8.622 2.438 6.215 1.00 0.00 C ATOM 210 CG LYS A 12 -8.792 1.388 7.305 1.00 0.00 C ATOM 211 CD LYS A 12 -7.750 1.554 8.401 1.00 0.00 C ATOM 212 CE LYS A 12 -7.976 0.565 9.535 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.012 0.767 10.650 1.00 0.00 N ATOM 0 H LYS A 12 -8.892 1.163 3.752 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.688 2.498 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.671 2.269 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.565 3.422 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.791 1.466 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.709 0.392 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.754 1.409 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.788 2.571 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.993 0.671 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.882 -0.452 9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.200 0.073 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.042 0.641 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.119 1.729 11.032 1.00 0.00 H new ATOM 226 N THR A 13 -10.216 4.768 4.705 1.00 0.00 N ATOM 227 CA THR A 13 -10.118 6.025 3.982 1.00 0.00 C ATOM 228 C THR A 13 -8.737 6.649 4.185 1.00 0.00 C ATOM 229 O THR A 13 -8.199 6.632 5.289 1.00 0.00 O ATOM 230 CB THR A 13 -11.203 7.021 4.429 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.498 6.433 4.256 1.00 0.00 O ATOM 232 CG2 THR A 13 -11.118 8.303 3.613 1.00 0.00 C ATOM 0 H THR A 13 -10.773 4.810 5.558 1.00 0.00 H new ATOM 0 HA THR A 13 -10.268 5.806 2.925 1.00 0.00 H new ATOM 0 HB THR A 13 -11.044 7.260 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.187 7.068 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.892 8.996 3.942 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.138 8.760 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.262 8.073 2.557 1.00 0.00 H new ATOM 240 N CYS A 14 -8.201 7.188 3.099 1.00 0.00 N ATOM 241 CA CYS A 14 -6.862 7.752 3.126 1.00 0.00 C ATOM 242 C CYS A 14 -6.899 9.040 3.949 1.00 0.00 C ATOM 243 O CYS A 14 -7.949 9.669 4.078 1.00 0.00 O ATOM 244 CB CYS A 14 -6.572 8.043 1.654 1.00 0.00 C ATOM 245 SG CYS A 14 -6.443 6.571 0.610 1.00 0.00 S ATOM 0 H CYS A 14 -8.670 7.246 2.195 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.105 7.106 3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.361 8.684 1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.641 8.605 1.584 1.00 0.00 H new ATOM 250 N PRO A 15 -5.710 9.406 4.498 1.00 0.00 N ATOM 251 CA PRO A 15 -5.563 10.675 5.189 1.00 0.00 C ATOM 252 C PRO A 15 -5.600 11.845 4.202 1.00 0.00 C ATOM 253 O PRO A 15 -5.318 11.669 3.018 1.00 0.00 O ATOM 254 CB PRO A 15 -4.211 10.558 5.900 1.00 0.00 C ATOM 255 CG PRO A 15 -3.405 9.666 5.019 1.00 0.00 C ATOM 256 CD PRO A 15 -4.384 8.668 4.460 1.00 0.00 C ATOM 0 HA PRO A 15 -6.373 10.874 5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.738 11.533 6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.322 10.135 6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.922 10.232 4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.614 9.169 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.119 8.372 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.415 7.758 5.059 1.00 0.00 H new ATOM 264 N GLU A 16 -5.951 13.010 4.727 1.00 0.00 N ATOM 265 CA GLU A 16 -6.076 14.195 3.897 1.00 0.00 C ATOM 266 C GLU A 16 -4.763 14.470 3.160 1.00 0.00 C ATOM 267 O GLU A 16 -3.695 14.482 3.773 1.00 0.00 O ATOM 268 CB GLU A 16 -6.478 15.405 4.744 1.00 0.00 C ATOM 269 CG GLU A 16 -6.682 16.689 3.952 1.00 0.00 C ATOM 270 CD GLU A 16 -7.120 17.817 4.843 1.00 0.00 C ATOM 271 OE1 GLU A 16 -7.285 17.591 6.018 1.00 0.00 O ATOM 272 OE2 GLU A 16 -7.180 18.929 4.374 1.00 0.00 O ATOM 0 H GLU A 16 -6.152 13.158 5.716 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.858 14.018 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.400 15.170 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.710 15.576 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.754 16.960 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.429 16.525 3.176 1.00 0.00 H new ATOM 280 N GLY A 17 -4.886 14.682 1.859 1.00 0.00 N ATOM 281 CA GLY A 17 -3.736 15.048 1.050 1.00 0.00 C ATOM 282 C GLY A 17 -3.135 13.820 0.362 1.00 0.00 C ATOM 283 O GLY A 17 -2.339 13.950 -0.566 1.00 0.00 O ATOM 0 H GLY A 17 -5.764 14.608 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.033 15.780 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.982 15.523 1.678 1.00 0.00 H new ATOM 287 N LYS A 18 -3.542 12.654 0.845 1.00 0.00 N ATOM 288 CA LYS A 18 -3.095 11.404 0.256 1.00 0.00 C ATOM 289 C LYS A 18 -4.142 10.915 -0.746 1.00 0.00 C ATOM 290 O LYS A 18 -5.334 11.163 -0.575 1.00 0.00 O ATOM 291 CB LYS A 18 -2.846 10.350 1.337 1.00 0.00 C ATOM 292 CG LYS A 18 -1.618 10.612 2.199 1.00 0.00 C ATOM 293 CD LYS A 18 -1.687 11.982 2.858 1.00 0.00 C ATOM 294 CE LYS A 18 -0.671 12.107 3.983 1.00 0.00 C ATOM 295 NZ LYS A 18 0.721 11.883 3.505 1.00 0.00 N ATOM 0 H LYS A 18 -4.176 12.550 1.637 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.152 11.572 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.723 10.294 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.739 9.376 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.538 9.841 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.720 10.546 1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.504 12.756 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.690 12.149 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.746 13.098 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.906 11.386 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.391 12.109 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.837 10.888 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.910 12.496 2.686 1.00 0.00 H new ATOM 308 N ASN A 19 -3.658 10.229 -1.774 1.00 0.00 N ATOM 309 CA ASN A 19 -4.488 9.917 -2.923 1.00 0.00 C ATOM 310 C ASN A 19 -4.281 8.452 -3.315 1.00 0.00 C ATOM 311 O ASN A 19 -5.247 7.723 -3.534 1.00 0.00 O ATOM 312 CB ASN A 19 -4.199 10.838 -4.094 1.00 0.00 C ATOM 313 CG ASN A 19 -5.075 10.590 -5.290 1.00 0.00 C ATOM 314 OD1 ASN A 19 -4.953 9.566 -5.973 1.00 0.00 O ATOM 315 ND2 ASN A 19 -5.901 11.557 -5.596 1.00 0.00 N ATOM 0 H ASN A 19 -2.701 9.881 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.531 10.074 -2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.324 11.872 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.156 10.720 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.482 11.486 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.964 12.382 -4.999 1.00 0.00 H new ATOM 322 N LEU A 20 -3.017 8.067 -3.392 1.00 0.00 N ATOM 323 CA LEU A 20 -2.652 6.819 -4.039 1.00 0.00 C ATOM 324 C LEU A 20 -2.721 5.679 -3.020 1.00 0.00 C ATOM 325 O LEU A 20 -2.673 5.917 -1.814 1.00 0.00 O ATOM 326 CB LEU A 20 -1.251 6.920 -4.655 1.00 0.00 C ATOM 327 CG LEU A 20 -1.017 8.147 -5.546 1.00 0.00 C ATOM 328 CD1 LEU A 20 0.440 8.203 -5.986 1.00 0.00 C ATOM 329 CD2 LEU A 20 -1.942 8.083 -6.753 1.00 0.00 C ATOM 0 H LEU A 20 -2.231 8.598 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.354 6.614 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.517 6.931 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.065 6.022 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.238 9.053 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.596 9.077 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.083 8.270 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.686 7.301 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.775 8.955 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.735 7.177 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.979 8.072 -6.417 1.00 0.00 H new ATOM 341 N CYS A 21 -2.835 4.468 -3.543 1.00 0.00 N ATOM 342 CA CYS A 21 -2.844 3.286 -2.696 1.00 0.00 C ATOM 343 C CYS A 21 -1.520 2.546 -2.890 1.00 0.00 C ATOM 344 O CYS A 21 -1.101 2.301 -4.021 1.00 0.00 O ATOM 345 CB CYS A 21 -4.048 2.389 -2.991 1.00 0.00 C ATOM 346 SG CYS A 21 -5.676 3.166 -2.686 1.00 0.00 S ATOM 0 H CYS A 21 -2.922 4.279 -4.541 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.943 3.584 -1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.001 2.073 -4.033 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.971 1.489 -2.381 1.00 0.00 H new ATOM 351 N TYR A 22 -0.897 2.210 -1.770 1.00 0.00 N ATOM 352 CA TYR A 22 0.389 1.534 -1.803 1.00 0.00 C ATOM 353 C TYR A 22 0.332 0.213 -1.033 1.00 0.00 C ATOM 354 O TYR A 22 -0.461 0.065 -0.105 1.00 0.00 O ATOM 355 CB TYR A 22 1.481 2.437 -1.227 1.00 0.00 C ATOM 356 CG TYR A 22 1.487 2.505 0.284 1.00 0.00 C ATOM 357 CD1 TYR A 22 2.194 1.577 1.036 1.00 0.00 C ATOM 358 CD2 TYR A 22 0.787 3.497 0.955 1.00 0.00 C ATOM 359 CE1 TYR A 22 2.201 1.634 2.416 1.00 0.00 C ATOM 360 CE2 TYR A 22 0.789 3.564 2.335 1.00 0.00 C ATOM 361 CZ TYR A 22 1.498 2.631 3.062 1.00 0.00 C ATOM 362 OH TYR A 22 1.504 2.693 4.437 1.00 0.00 O ATOM 0 H TYR A 22 -1.259 2.393 -0.834 1.00 0.00 H new ATOM 0 HA TYR A 22 0.629 1.313 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.452 2.079 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.354 3.444 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.748 0.798 0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.231 4.230 0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.754 0.902 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.238 4.343 2.842 1.00 0.00 H new ATOM 0 HH TYR A 22 0.962 3.454 4.733 1.00 0.00 H new ATOM 372 N LYS A 23 1.182 -0.714 -1.448 1.00 0.00 N ATOM 373 CA LYS A 23 1.377 -1.943 -0.697 1.00 0.00 C ATOM 374 C LYS A 23 2.875 -2.203 -0.531 1.00 0.00 C ATOM 375 O LYS A 23 3.672 -1.834 -1.392 1.00 0.00 O ATOM 376 CB LYS A 23 0.696 -3.121 -1.395 1.00 0.00 C ATOM 377 CG LYS A 23 1.190 -3.383 -2.812 1.00 0.00 C ATOM 378 CD LYS A 23 0.552 -4.635 -3.397 1.00 0.00 C ATOM 379 CE LYS A 23 -0.957 -4.636 -3.193 1.00 0.00 C ATOM 380 NZ LYS A 23 -1.606 -5.803 -3.849 1.00 0.00 N ATOM 0 H LYS A 23 1.744 -0.639 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 23 0.922 -1.835 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.849 -4.020 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.378 -2.938 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.960 -2.525 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.274 -3.493 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.777 -4.696 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.985 -5.519 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.179 -4.650 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.378 -3.714 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.633 -5.766 -3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.416 -5.776 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.223 -6.683 -3.449 1.00 0.00 H new ATOM 393 N MET A 24 3.214 -2.836 0.582 1.00 0.00 N ATOM 394 CA MET A 24 4.608 -3.066 0.919 1.00 0.00 C ATOM 395 C MET A 24 4.948 -4.558 0.861 1.00 0.00 C ATOM 396 O MET A 24 4.173 -5.391 1.328 1.00 0.00 O ATOM 397 CB MET A 24 4.913 -2.501 2.305 1.00 0.00 C ATOM 398 CG MET A 24 4.752 -0.992 2.418 1.00 0.00 C ATOM 399 SD MET A 24 5.048 -0.386 4.092 1.00 0.00 S ATOM 400 CE MET A 24 6.716 -0.973 4.374 1.00 0.00 C ATOM 0 H MET A 24 2.546 -3.197 1.263 1.00 0.00 H new ATOM 0 HA MET A 24 5.228 -2.552 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.257 -2.980 3.032 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.935 -2.766 2.575 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.444 -0.504 1.731 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.745 -0.713 2.107 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.189 -0.367 5.146 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.686 -2.013 4.697 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.290 -0.897 3.450 1.00 0.00 H new ATOM 410 N PHE A 25 6.105 -4.846 0.284 1.00 0.00 N ATOM 411 CA PHE A 25 6.609 -6.210 0.261 1.00 0.00 C ATOM 412 C PHE A 25 7.896 -6.332 1.080 1.00 0.00 C ATOM 413 O PHE A 25 8.508 -5.326 1.436 1.00 0.00 O ATOM 414 CB PHE A 25 6.849 -6.663 -1.180 1.00 0.00 C ATOM 415 CG PHE A 25 5.604 -6.707 -2.017 1.00 0.00 C ATOM 416 CD1 PHE A 25 5.138 -5.567 -2.656 1.00 0.00 C ATOM 417 CD2 PHE A 25 4.893 -7.888 -2.169 1.00 0.00 C ATOM 418 CE1 PHE A 25 3.991 -5.606 -3.426 1.00 0.00 C ATOM 419 CE2 PHE A 25 3.747 -7.931 -2.939 1.00 0.00 C ATOM 420 CZ PHE A 25 3.296 -6.788 -3.568 1.00 0.00 C ATOM 0 H PHE A 25 6.708 -4.160 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 25 5.858 -6.858 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.566 -5.989 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.303 -7.654 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.678 -4.638 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.240 -8.786 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.639 -4.710 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.204 -8.858 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.400 -6.820 -4.170 1.00 0.00 H new ATOM 430 N MET A 26 8.270 -7.573 1.355 1.00 0.00 N ATOM 431 CA MET A 26 9.615 -7.865 1.815 1.00 0.00 C ATOM 432 C MET A 26 10.352 -8.767 0.821 1.00 0.00 C ATOM 433 O MET A 26 9.757 -9.676 0.244 1.00 0.00 O ATOM 434 CB MET A 26 9.567 -8.518 3.195 1.00 0.00 C ATOM 435 CG MET A 26 8.993 -7.632 4.291 1.00 0.00 C ATOM 436 SD MET A 26 8.941 -8.454 5.895 1.00 0.00 S ATOM 437 CE MET A 26 8.226 -7.167 6.914 1.00 0.00 C ATOM 0 H MET A 26 7.663 -8.388 1.268 1.00 0.00 H new ATOM 0 HA MET A 26 10.164 -6.926 1.887 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.971 -9.429 3.132 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.577 -8.816 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.593 -6.726 4.371 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.985 -7.324 4.013 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.464 -7.357 7.961 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.634 -6.200 6.619 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.144 -7.159 6.784 1.00 0.00 H new ATOM 447 N MET A 27 11.636 -8.483 0.653 1.00 0.00 N ATOM 448 CA MET A 27 12.421 -9.151 -0.371 1.00 0.00 C ATOM 449 C MET A 27 12.201 -10.665 -0.331 1.00 0.00 C ATOM 450 O MET A 27 12.276 -11.334 -1.359 1.00 0.00 O ATOM 451 CB MET A 27 13.901 -8.821 -0.195 1.00 0.00 C ATOM 452 CG MET A 27 14.290 -7.415 -0.631 1.00 0.00 C ATOM 453 SD MET A 27 13.909 -7.095 -2.365 1.00 0.00 S ATOM 454 CE MET A 27 15.065 -8.198 -3.174 1.00 0.00 C ATOM 0 H MET A 27 12.151 -7.800 1.208 1.00 0.00 H new ATOM 0 HA MET A 27 12.092 -8.790 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.167 -8.949 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.491 -9.540 -0.763 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.768 -6.688 -0.008 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.357 -7.269 -0.465 1.00 0.00 H new ATOM 0 HE1 MET A 27 15.132 -7.943 -4.232 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.048 -8.097 -2.713 1.00 0.00 H new ATOM 0 HE3 MET A 27 14.720 -9.227 -3.070 1.00 0.00 H new ATOM 464 N SER A 28 11.938 -11.160 0.870 1.00 0.00 N ATOM 465 CA SER A 28 11.558 -12.552 1.038 1.00 0.00 C ATOM 466 C SER A 28 10.214 -12.813 0.357 1.00 0.00 C ATOM 467 O SER A 28 10.147 -13.538 -0.635 1.00 0.00 O ATOM 468 CB SER A 28 11.495 -12.906 2.511 1.00 0.00 C ATOM 469 OG SER A 28 11.135 -14.244 2.716 1.00 0.00 O ATOM 0 H SER A 28 11.981 -10.622 1.735 1.00 0.00 H new ATOM 0 HA SER A 28 12.311 -13.185 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.465 -12.718 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.775 -12.257 3.009 1.00 0.00 H new ATOM 0 HG SER A 28 11.108 -14.432 3.677 1.00 0.00 H new ATOM 475 N ASP A 29 9.176 -12.210 0.917 1.00 0.00 N ATOM 476 CA ASP A 29 7.822 -12.460 0.449 1.00 0.00 C ATOM 477 C ASP A 29 7.445 -11.401 -0.591 1.00 0.00 C ATOM 478 O ASP A 29 6.794 -10.410 -0.266 1.00 0.00 O ATOM 479 CB ASP A 29 6.831 -12.450 1.616 1.00 0.00 C ATOM 480 CG ASP A 29 5.414 -12.865 1.240 1.00 0.00 C ATOM 481 OD1 ASP A 29 5.200 -13.216 0.104 1.00 0.00 O ATOM 482 OD2 ASP A 29 4.597 -12.979 2.122 1.00 0.00 O ATOM 0 H ASP A 29 9.244 -11.549 1.691 1.00 0.00 H new ATOM 0 HA ASP A 29 7.779 -13.447 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.198 -13.119 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.802 -11.448 2.044 1.00 0.00 H new ATOM 488 N LEU A 30 7.869 -11.649 -1.822 1.00 0.00 N ATOM 489 CA LEU A 30 7.500 -10.785 -2.928 1.00 0.00 C ATOM 490 C LEU A 30 6.075 -11.115 -3.376 1.00 0.00 C ATOM 491 O LEU A 30 5.430 -10.316 -4.053 1.00 0.00 O ATOM 492 CB LEU A 30 8.492 -10.943 -4.089 1.00 0.00 C ATOM 493 CG LEU A 30 9.714 -10.018 -4.034 1.00 0.00 C ATOM 494 CD1 LEU A 30 9.775 -9.313 -2.686 1.00 0.00 C ATOM 495 CD2 LEU A 30 10.978 -10.829 -4.274 1.00 0.00 C ATOM 0 H LEU A 30 8.465 -12.437 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 30 7.535 -9.746 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.839 -11.976 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.963 -10.764 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 30 9.630 -9.260 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.646 -8.659 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.871 -8.721 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.851 -10.054 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.846 -10.171 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.070 -11.596 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.926 -11.302 -5.254 1.00 0.00 H new ATOM 507 N THR A 31 5.624 -12.296 -2.981 1.00 0.00 N ATOM 508 CA THR A 31 4.356 -12.816 -3.469 1.00 0.00 C ATOM 509 C THR A 31 3.190 -12.075 -2.817 1.00 0.00 C ATOM 510 O THR A 31 2.244 -11.677 -3.496 1.00 0.00 O ATOM 511 CB THR A 31 4.220 -14.325 -3.197 1.00 0.00 C ATOM 512 OG1 THR A 31 5.282 -15.030 -3.853 1.00 0.00 O ATOM 513 CG2 THR A 31 2.883 -14.841 -3.709 1.00 0.00 C ATOM 0 H THR A 31 6.113 -12.909 -2.328 1.00 0.00 H new ATOM 0 HA THR A 31 4.333 -12.658 -4.547 1.00 0.00 H new ATOM 0 HB THR A 31 4.275 -14.491 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.195 -15.990 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.804 -15.909 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.073 -14.316 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.813 -14.668 -4.783 1.00 0.00 H new ATOM 521 N ILE A 32 3.293 -11.908 -1.506 1.00 0.00 N ATOM 522 CA ILE A 32 2.207 -11.323 -0.738 1.00 0.00 C ATOM 523 C ILE A 32 2.738 -10.130 0.057 1.00 0.00 C ATOM 524 O ILE A 32 3.698 -10.261 0.816 1.00 0.00 O ATOM 525 CB ILE A 32 1.564 -12.342 0.219 1.00 0.00 C ATOM 526 CG1 ILE A 32 0.891 -13.467 -0.572 1.00 0.00 C ATOM 527 CG2 ILE A 32 0.561 -11.656 1.133 1.00 0.00 C ATOM 528 CD1 ILE A 32 -0.251 -13.000 -1.445 1.00 0.00 C ATOM 0 H ILE A 32 4.112 -12.168 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 32 1.436 -10.999 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 32 2.348 -12.778 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.638 -13.956 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.519 -14.217 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.116 -12.392 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.068 -10.891 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.222 -11.193 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.677 -13.853 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.018 -12.538 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.118 -12.272 -2.168 1.00 0.00 H new ATOM 540 N PRO A 33 2.074 -8.961 -0.146 1.00 0.00 N ATOM 541 CA PRO A 33 2.454 -7.750 0.563 1.00 0.00 C ATOM 542 C PRO A 33 2.057 -7.828 2.037 1.00 0.00 C ATOM 543 O PRO A 33 1.183 -8.611 2.408 1.00 0.00 O ATOM 544 CB PRO A 33 1.710 -6.636 -0.181 1.00 0.00 C ATOM 545 CG PRO A 33 0.501 -7.305 -0.740 1.00 0.00 C ATOM 546 CD PRO A 33 0.946 -8.699 -1.096 1.00 0.00 C ATOM 0 HA PRO A 33 3.531 -7.582 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.438 -5.822 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.326 -6.205 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.309 -7.325 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.128 -6.775 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.140 -9.422 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.273 -8.763 -2.134 1.00 0.00 H new ATOM 554 N VAL A 34 2.719 -7.007 2.841 1.00 0.00 N ATOM 555 CA VAL A 34 2.712 -7.201 4.280 1.00 0.00 C ATOM 556 C VAL A 34 2.009 -6.015 4.945 1.00 0.00 C ATOM 557 O VAL A 34 1.559 -6.116 6.085 1.00 0.00 O ATOM 558 CB VAL A 34 4.136 -7.347 4.846 1.00 0.00 C ATOM 559 CG1 VAL A 34 4.842 -8.535 4.211 1.00 0.00 C ATOM 560 CG2 VAL A 34 4.934 -6.071 4.620 1.00 0.00 C ATOM 0 H VAL A 34 3.264 -6.206 2.522 1.00 0.00 H new ATOM 0 HA VAL A 34 2.177 -8.126 4.495 1.00 0.00 H new ATOM 0 HB VAL A 34 4.063 -7.522 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.847 -8.623 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.282 -9.446 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.903 -8.388 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.938 -6.193 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.998 -5.866 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.439 -5.239 5.120 1.00 0.00 H new ATOM 570 N LYS A 35 1.937 -4.918 4.205 1.00 0.00 N ATOM 571 CA LYS A 35 1.219 -3.746 4.672 1.00 0.00 C ATOM 572 C LYS A 35 0.624 -3.005 3.473 1.00 0.00 C ATOM 573 O LYS A 35 1.208 -3.002 2.389 1.00 0.00 O ATOM 574 CB LYS A 35 2.141 -2.827 5.474 1.00 0.00 C ATOM 575 CG LYS A 35 2.483 -3.340 6.867 1.00 0.00 C ATOM 576 CD LYS A 35 2.971 -2.214 7.766 1.00 0.00 C ATOM 577 CE LYS A 35 1.813 -1.370 8.278 1.00 0.00 C ATOM 578 NZ LYS A 35 2.250 -0.393 9.312 1.00 0.00 N ATOM 0 H LYS A 35 2.365 -4.817 3.285 1.00 0.00 H new ATOM 0 HA LYS A 35 0.412 -4.062 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.066 -2.683 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.669 -1.849 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.604 -3.808 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.251 -4.110 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.519 -2.632 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.668 -1.582 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.357 -0.836 7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.046 -2.022 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.431 0.161 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.662 -0.903 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.963 0.246 8.906 1.00 0.00 H new ATOM 591 N ARG A 36 -0.529 -2.394 3.706 1.00 0.00 N ATOM 592 CA ARG A 36 -1.188 -1.618 2.669 1.00 0.00 C ATOM 593 C ARG A 36 -1.891 -0.406 3.282 1.00 0.00 C ATOM 594 O ARG A 36 -2.414 -0.483 4.394 1.00 0.00 O ATOM 595 CB ARG A 36 -2.135 -2.462 1.831 1.00 0.00 C ATOM 596 CG ARG A 36 -1.478 -3.611 1.083 1.00 0.00 C ATOM 597 CD ARG A 36 -1.582 -4.925 1.765 1.00 0.00 C ATOM 598 NE ARG A 36 -2.940 -5.423 1.910 1.00 0.00 N ATOM 599 CZ ARG A 36 -3.579 -6.182 0.998 1.00 0.00 C ATOM 600 NH1 ARG A 36 -3.003 -6.501 -0.140 1.00 0.00 N ATOM 601 NH2 ARG A 36 -4.811 -6.578 1.267 1.00 0.00 N ATOM 0 H ARG A 36 -1.023 -2.421 4.598 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.422 -1.257 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.910 -2.867 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.632 -1.815 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.931 -3.691 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.424 -3.376 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.998 -5.657 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.131 -4.844 2.754 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.445 -5.181 2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.059 -6.173 -0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.500 -7.076 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.253 -6.308 2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.320 -7.153 0.596 1.00 0.00 H new ATOM 614 N GLY A 37 -1.883 0.685 2.531 1.00 0.00 N ATOM 615 CA GLY A 37 -2.461 1.931 3.012 1.00 0.00 C ATOM 616 C GLY A 37 -2.496 2.981 1.902 1.00 0.00 C ATOM 617 O GLY A 37 -2.341 2.655 0.727 1.00 0.00 O ATOM 0 H GLY A 37 -1.486 0.734 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.471 1.750 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.879 2.305 3.854 1.00 0.00 H new ATOM 621 N CYS A 38 -2.704 4.223 2.314 1.00 0.00 N ATOM 622 CA CYS A 38 -2.768 5.325 1.368 1.00 0.00 C ATOM 623 C CYS A 38 -1.500 6.167 1.525 1.00 0.00 C ATOM 624 O CYS A 38 -0.875 6.162 2.584 1.00 0.00 O ATOM 625 CB CYS A 38 -4.036 6.161 1.559 1.00 0.00 C ATOM 626 SG CYS A 38 -5.567 5.189 1.802 1.00 0.00 S ATOM 0 H CYS A 38 -2.830 4.491 3.290 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.819 4.934 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.897 6.815 2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.165 6.804 0.688 1.00 0.00 H new ATOM 631 N ILE A 39 -1.158 6.869 0.456 1.00 0.00 N ATOM 632 CA ILE A 39 -0.082 7.845 0.513 1.00 0.00 C ATOM 633 C ILE A 39 -0.227 8.827 -0.650 1.00 0.00 C ATOM 634 O ILE A 39 -0.914 8.539 -1.629 1.00 0.00 O ATOM 635 CB ILE A 39 1.303 7.175 0.459 1.00 0.00 C ATOM 636 CG1 ILE A 39 2.393 8.170 0.868 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.574 6.626 -0.933 1.00 0.00 C ATOM 638 CD1 ILE A 39 3.682 7.516 1.308 1.00 0.00 C ATOM 0 H ILE A 39 -1.607 6.782 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.156 8.374 1.463 1.00 0.00 H new ATOM 0 HB ILE A 39 1.314 6.343 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.601 8.832 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.017 8.793 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.557 6.156 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.813 5.888 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.546 7.440 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.405 8.284 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.490 6.875 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.083 6.916 0.491 1.00 0.00 H new ATOM 650 N ASP A 40 0.429 9.970 -0.505 1.00 0.00 N ATOM 651 CA ASP A 40 0.342 11.015 -1.508 1.00 0.00 C ATOM 652 C ASP A 40 1.429 10.797 -2.563 1.00 0.00 C ATOM 653 O ASP A 40 1.152 10.827 -3.760 1.00 0.00 O ATOM 654 CB ASP A 40 0.479 12.399 -0.866 1.00 0.00 C ATOM 655 CG ASP A 40 1.704 12.561 0.022 1.00 0.00 C ATOM 656 OD1 ASP A 40 2.337 11.575 0.315 1.00 0.00 O ATOM 657 OD2 ASP A 40 2.089 13.679 0.271 1.00 0.00 O ATOM 0 H ASP A 40 1.023 10.194 0.293 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.636 10.968 -1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.515 13.150 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.413 12.601 -0.274 1.00 0.00 H new ATOM 663 N VAL A 41 2.644 10.581 -2.078 1.00 0.00 N ATOM 664 CA VAL A 41 3.776 10.376 -2.964 1.00 0.00 C ATOM 665 C VAL A 41 4.300 8.949 -2.792 1.00 0.00 C ATOM 666 O VAL A 41 4.575 8.514 -1.676 1.00 0.00 O ATOM 667 CB VAL A 41 4.911 11.382 -2.689 1.00 0.00 C ATOM 668 CG1 VAL A 41 6.080 11.137 -3.631 1.00 0.00 C ATOM 669 CG2 VAL A 41 4.403 12.809 -2.833 1.00 0.00 C ATOM 0 H VAL A 41 2.868 10.544 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 41 3.436 10.534 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 41 5.257 11.240 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.872 11.856 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.460 10.126 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.747 11.253 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.217 13.507 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.031 12.962 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.596 12.982 -2.121 1.00 0.00 H new ATOM 679 N CYS A 42 4.423 8.259 -3.917 1.00 0.00 N ATOM 680 CA CYS A 42 4.780 6.851 -3.898 1.00 0.00 C ATOM 681 C CYS A 42 6.239 6.732 -3.449 1.00 0.00 C ATOM 682 O CYS A 42 7.132 7.306 -4.073 1.00 0.00 O ATOM 683 CB CYS A 42 4.546 6.187 -5.255 1.00 0.00 C ATOM 684 SG CYS A 42 4.817 4.377 -5.284 1.00 0.00 S ATOM 0 H CYS A 42 4.281 8.650 -4.848 1.00 0.00 H new ATOM 0 HA CYS A 42 4.138 6.321 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.523 6.392 -5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.206 6.650 -5.989 1.00 0.00 H new ATOM 689 N PRO A 43 6.441 5.966 -2.344 1.00 0.00 N ATOM 690 CA PRO A 43 7.772 5.789 -1.788 1.00 0.00 C ATOM 691 C PRO A 43 8.634 4.914 -2.701 1.00 0.00 C ATOM 692 O PRO A 43 8.161 3.909 -3.230 1.00 0.00 O ATOM 693 CB PRO A 43 7.522 5.138 -0.426 1.00 0.00 C ATOM 694 CG PRO A 43 6.207 4.451 -0.577 1.00 0.00 C ATOM 695 CD PRO A 43 5.410 5.320 -1.514 1.00 0.00 C ATOM 0 HA PRO A 43 8.323 6.724 -1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.312 4.431 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.492 5.882 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.332 3.447 -0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.705 4.346 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.719 4.731 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.814 6.054 -0.972 1.00 0.00 H new ATOM 703 N LYS A 44 9.882 5.326 -2.855 1.00 0.00 N ATOM 704 CA LYS A 44 10.809 4.602 -3.711 1.00 0.00 C ATOM 705 C LYS A 44 11.158 3.263 -3.059 1.00 0.00 C ATOM 706 O LYS A 44 11.049 3.114 -1.843 1.00 0.00 O ATOM 707 CB LYS A 44 12.071 5.426 -3.967 1.00 0.00 C ATOM 708 CG LYS A 44 11.843 6.693 -4.779 1.00 0.00 C ATOM 709 CD LYS A 44 13.141 7.458 -4.991 1.00 0.00 C ATOM 710 CE LYS A 44 12.921 8.699 -5.841 1.00 0.00 C ATOM 711 NZ LYS A 44 14.183 9.459 -6.054 1.00 0.00 N ATOM 0 H LYS A 44 10.275 6.151 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 44 10.335 4.418 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.513 5.698 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.798 4.802 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.409 6.435 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.123 7.331 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.557 7.746 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.873 6.810 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.505 8.409 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.186 9.344 -5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.989 10.297 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.567 9.759 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.876 8.853 -6.538 1.00 0.00 H new ATOM 724 N ASN A 45 11.567 2.322 -3.898 1.00 0.00 N ATOM 725 CA ASN A 45 11.810 0.966 -3.439 1.00 0.00 C ATOM 726 C ASN A 45 13.105 0.930 -2.625 1.00 0.00 C ATOM 727 O ASN A 45 14.069 1.621 -2.955 1.00 0.00 O ATOM 728 CB ASN A 45 11.869 -0.018 -4.594 1.00 0.00 C ATOM 729 CG ASN A 45 10.560 -0.187 -5.312 1.00 0.00 C ATOM 730 OD1 ASN A 45 9.484 0.046 -4.749 1.00 0.00 O ATOM 731 ND2 ASN A 45 10.641 -0.669 -6.526 1.00 0.00 N ATOM 0 H ASN A 45 11.736 2.473 -4.893 1.00 0.00 H new ATOM 0 HA ASN A 45 10.976 0.661 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.623 0.316 -5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.194 -0.988 -4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.791 -0.870 -7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.554 -0.844 -6.946 1.00 0.00 H new ATOM 738 N SER A 46 13.087 0.119 -1.578 1.00 0.00 N ATOM 739 CA SER A 46 14.257 -0.036 -0.731 1.00 0.00 C ATOM 740 C SER A 46 14.850 -1.436 -0.910 1.00 0.00 C ATOM 741 O SER A 46 14.298 -2.259 -1.639 1.00 0.00 O ATOM 742 CB SER A 46 13.894 0.216 0.719 1.00 0.00 C ATOM 743 OG SER A 46 13.031 -0.766 1.225 1.00 0.00 O ATOM 0 H SER A 46 12.280 -0.438 -1.297 1.00 0.00 H new ATOM 0 HA SER A 46 15.008 0.697 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.803 0.244 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.422 1.194 0.809 1.00 0.00 H new ATOM 0 HG SER A 46 12.280 -0.891 0.608 1.00 0.00 H new ATOM 749 N LEU A 47 15.966 -1.661 -0.232 1.00 0.00 N ATOM 750 CA LEU A 47 16.682 -2.919 -0.367 1.00 0.00 C ATOM 751 C LEU A 47 15.946 -4.005 0.420 1.00 0.00 C ATOM 752 O LEU A 47 16.060 -5.189 0.105 1.00 0.00 O ATOM 753 CB LEU A 47 18.129 -2.772 0.121 1.00 0.00 C ATOM 754 CG LEU A 47 18.992 -1.790 -0.682 1.00 0.00 C ATOM 755 CD1 LEU A 47 20.359 -1.642 -0.029 1.00 0.00 C ATOM 756 CD2 LEU A 47 19.129 -2.287 -2.114 1.00 0.00 C ATOM 0 H LEU A 47 16.392 -0.994 0.412 1.00 0.00 H new ATOM 0 HA LEU A 47 16.717 -3.204 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.114 -2.450 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.605 -3.752 0.098 1.00 0.00 H new ATOM 0 HG LEU A 47 18.513 -0.811 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.964 -0.943 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.238 -1.265 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.855 -2.612 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 47 19.742 -1.589 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.601 -3.269 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.142 -2.359 -2.570 1.00 0.00 H new ATOM 768 N LEU A 48 15.210 -3.566 1.429 1.00 0.00 N ATOM 769 CA LEU A 48 14.578 -4.490 2.354 1.00 0.00 C ATOM 770 C LEU A 48 13.131 -4.733 1.921 1.00 0.00 C ATOM 771 O LEU A 48 12.691 -5.876 1.825 1.00 0.00 O ATOM 772 CB LEU A 48 14.639 -3.945 3.787 1.00 0.00 C ATOM 773 CG LEU A 48 16.052 -3.747 4.350 1.00 0.00 C ATOM 774 CD1 LEU A 48 15.978 -3.130 5.740 1.00 0.00 C ATOM 775 CD2 LEU A 48 16.776 -5.084 4.392 1.00 0.00 C ATOM 0 H LEU A 48 15.037 -2.580 1.627 1.00 0.00 H new ATOM 0 HA LEU A 48 15.115 -5.439 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.116 -2.989 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.096 -4.627 4.442 1.00 0.00 H new ATOM 0 HG LEU A 48 16.608 -3.068 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.986 -2.993 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.477 -2.164 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.418 -3.791 6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.780 -4.942 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.226 -5.776 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.842 -5.494 3.384 1.00 0.00 H new ATOM 787 N VAL A 49 12.431 -3.637 1.669 1.00 0.00 N ATOM 788 CA VAL A 49 11.017 -3.709 1.347 1.00 0.00 C ATOM 789 C VAL A 49 10.768 -3.020 0.003 1.00 0.00 C ATOM 790 O VAL A 49 11.434 -2.040 -0.330 1.00 0.00 O ATOM 791 CB VAL A 49 10.146 -3.055 2.436 1.00 0.00 C ATOM 792 CG1 VAL A 49 10.260 -3.826 3.743 1.00 0.00 C ATOM 793 CG2 VAL A 49 10.548 -1.602 2.640 1.00 0.00 C ATOM 0 H VAL A 49 12.818 -2.693 1.681 1.00 0.00 H new ATOM 0 HA VAL A 49 10.737 -4.761 1.289 1.00 0.00 H new ATOM 0 HB VAL A 49 9.107 -3.082 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.638 -3.350 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.925 -4.852 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.298 -3.829 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.922 -1.156 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.593 -1.553 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.418 -1.054 1.707 1.00 0.00 H new ATOM 803 N LYS A 50 9.807 -3.558 -0.733 1.00 0.00 N ATOM 804 CA LYS A 50 9.443 -2.992 -2.021 1.00 0.00 C ATOM 805 C LYS A 50 8.102 -2.268 -1.895 1.00 0.00 C ATOM 806 O LYS A 50 7.234 -2.689 -1.131 1.00 0.00 O ATOM 807 CB LYS A 50 9.372 -4.080 -3.093 1.00 0.00 C ATOM 808 CG LYS A 50 8.960 -3.580 -4.472 1.00 0.00 C ATOM 809 CD LYS A 50 8.871 -4.723 -5.472 1.00 0.00 C ATOM 810 CE LYS A 50 8.408 -4.232 -6.835 1.00 0.00 C ATOM 811 NZ LYS A 50 8.249 -5.348 -7.805 1.00 0.00 N ATOM 0 H LYS A 50 9.269 -4.381 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 50 10.208 -2.278 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.347 -4.560 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.665 -4.844 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.995 -3.077 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.681 -2.842 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.846 -5.202 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.179 -5.480 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.459 -3.707 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.128 -3.513 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.932 -4.970 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.160 -5.834 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.543 -6.022 -7.446 1.00 0.00 H new ATOM 824 N TYR A 51 7.975 -1.190 -2.656 1.00 0.00 N ATOM 825 CA TYR A 51 6.766 -0.385 -2.615 1.00 0.00 C ATOM 826 C TYR A 51 6.061 -0.386 -3.974 1.00 0.00 C ATOM 827 O TYR A 51 6.678 -0.091 -4.997 1.00 0.00 O ATOM 828 CB TYR A 51 7.093 1.047 -2.188 1.00 0.00 C ATOM 829 CG TYR A 51 7.665 1.155 -0.792 1.00 0.00 C ATOM 830 CD1 TYR A 51 9.036 1.161 -0.581 1.00 0.00 C ATOM 831 CD2 TYR A 51 6.831 1.253 0.312 1.00 0.00 C ATOM 832 CE1 TYR A 51 9.563 1.259 0.692 1.00 0.00 C ATOM 833 CE2 TYR A 51 7.346 1.351 1.590 1.00 0.00 C ATOM 834 CZ TYR A 51 8.714 1.354 1.776 1.00 0.00 C ATOM 835 OH TYR A 51 9.232 1.454 3.046 1.00 0.00 O ATOM 0 H TYR A 51 8.689 -0.856 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 51 6.091 -0.825 -1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.804 1.473 -2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.186 1.649 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.703 1.088 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.760 1.253 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.633 1.261 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.682 1.425 2.439 1.00 0.00 H new ATOM 0 HH TYR A 51 8.500 1.514 3.694 1.00 0.00 H new ATOM 845 N VAL A 52 4.780 -0.720 -3.941 1.00 0.00 N ATOM 846 CA VAL A 52 3.957 -0.655 -5.136 1.00 0.00 C ATOM 847 C VAL A 52 2.743 0.235 -4.867 1.00 0.00 C ATOM 848 O VAL A 52 2.029 0.036 -3.885 1.00 0.00 O ATOM 849 CB VAL A 52 3.489 -2.050 -5.588 1.00 0.00 C ATOM 850 CG1 VAL A 52 2.663 -1.948 -6.863 1.00 0.00 C ATOM 851 CG2 VAL A 52 4.682 -2.970 -5.801 1.00 0.00 C ATOM 0 H VAL A 52 4.291 -1.037 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 52 4.562 -0.235 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 52 2.862 -2.473 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.340 -2.943 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.789 -1.323 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.268 -1.504 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.332 -3.952 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.333 -2.550 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.237 -3.068 -4.868 1.00 0.00 H new ATOM 861 N CYS A 53 2.544 1.197 -5.757 1.00 0.00 N ATOM 862 CA CYS A 53 1.446 2.135 -5.613 1.00 0.00 C ATOM 863 C CYS A 53 0.545 2.017 -6.844 1.00 0.00 C ATOM 864 O CYS A 53 0.970 1.509 -7.881 1.00 0.00 O ATOM 865 CB CYS A 53 1.947 3.566 -5.408 1.00 0.00 C ATOM 866 SG CYS A 53 3.268 3.745 -4.153 1.00 0.00 S ATOM 0 H CYS A 53 3.126 1.346 -6.581 1.00 0.00 H new ATOM 0 HA CYS A 53 0.871 1.889 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.316 3.947 -6.360 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.104 4.193 -5.119 1.00 0.00 H new ATOM 871 N CYS A 54 -0.681 2.494 -6.688 1.00 0.00 N ATOM 872 CA CYS A 54 -1.627 2.497 -7.791 1.00 0.00 C ATOM 873 C CYS A 54 -2.685 3.568 -7.513 1.00 0.00 C ATOM 874 O CYS A 54 -3.006 3.843 -6.358 1.00 0.00 O ATOM 875 CB CYS A 54 -2.255 1.117 -8.003 1.00 0.00 C ATOM 876 SG CYS A 54 -2.836 0.296 -6.476 1.00 0.00 S ATOM 0 H CYS A 54 -1.041 2.881 -5.816 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.106 2.733 -8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.097 1.218 -8.687 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.524 0.472 -8.490 1.00 0.00 H new ATOM 881 N ASN A 55 -3.195 4.143 -8.592 1.00 0.00 N ATOM 882 CA ASN A 55 -3.853 5.437 -8.510 1.00 0.00 C ATOM 883 C ASN A 55 -5.368 5.241 -8.606 1.00 0.00 C ATOM 884 O ASN A 55 -6.072 6.091 -9.150 1.00 0.00 O ATOM 885 CB ASN A 55 -3.360 6.390 -9.584 1.00 0.00 C ATOM 886 CG ASN A 55 -3.635 5.917 -10.984 1.00 0.00 C ATOM 887 OD1 ASN A 55 -4.040 4.769 -11.206 1.00 0.00 O ATOM 888 ND2 ASN A 55 -3.341 6.767 -11.935 1.00 0.00 N ATOM 0 H ASN A 55 -3.166 3.737 -9.527 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.606 5.890 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.832 7.362 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.287 6.535 -9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.442 6.494 -12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.011 7.703 -11.699 1.00 0.00 H new ATOM 895 N THR A 56 -5.822 4.118 -8.072 1.00 0.00 N ATOM 896 CA THR A 56 -7.247 3.852 -7.993 1.00 0.00 C ATOM 897 C THR A 56 -7.611 3.296 -6.614 1.00 0.00 C ATOM 898 O THR A 56 -6.729 3.006 -5.805 1.00 0.00 O ATOM 899 CB THR A 56 -7.700 2.860 -9.081 1.00 0.00 C ATOM 900 OG1 THR A 56 -6.967 1.635 -8.949 1.00 0.00 O ATOM 901 CG2 THR A 56 -7.463 3.443 -10.465 1.00 0.00 C ATOM 0 H THR A 56 -5.228 3.382 -7.690 1.00 0.00 H new ATOM 0 HA THR A 56 -7.763 4.798 -8.154 1.00 0.00 H new ATOM 0 HB THR A 56 -8.766 2.668 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.257 1.004 -9.641 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.789 2.729 -11.221 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.029 4.368 -10.572 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.401 3.650 -10.595 1.00 0.00 H new ATOM 909 N ASP A 57 -8.909 3.168 -6.385 1.00 0.00 N ATOM 910 CA ASP A 57 -9.404 2.778 -5.075 1.00 0.00 C ATOM 911 C ASP A 57 -9.275 1.262 -4.916 1.00 0.00 C ATOM 912 O ASP A 57 -9.531 0.512 -5.855 1.00 0.00 O ATOM 913 CB ASP A 57 -10.859 3.220 -4.887 1.00 0.00 C ATOM 914 CG ASP A 57 -11.041 4.719 -4.699 1.00 0.00 C ATOM 915 OD1 ASP A 57 -10.458 5.259 -3.789 1.00 0.00 O ATOM 916 OD2 ASP A 57 -11.630 5.338 -5.553 1.00 0.00 O ATOM 0 H ASP A 57 -9.634 3.327 -7.085 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.807 3.272 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.438 2.902 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.274 2.704 -4.021 1.00 0.00 H new ATOM 922 N ARG A 58 -8.877 0.857 -3.718 1.00 0.00 N ATOM 923 CA ARG A 58 -8.898 -0.550 -3.359 1.00 0.00 C ATOM 924 C ARG A 58 -8.161 -1.378 -4.414 1.00 0.00 C ATOM 925 O ARG A 58 -8.551 -2.509 -4.705 1.00 0.00 O ATOM 926 CB ARG A 58 -10.311 -1.062 -3.119 1.00 0.00 C ATOM 927 CG ARG A 58 -11.068 -0.353 -2.007 1.00 0.00 C ATOM 928 CD ARG A 58 -12.341 -1.011 -1.617 1.00 0.00 C ATOM 929 NE ARG A 58 -12.181 -2.330 -1.026 1.00 0.00 N ATOM 930 CZ ARG A 58 -13.178 -3.222 -0.864 1.00 0.00 C ATOM 931 NH1 ARG A 58 -14.411 -2.929 -1.213 1.00 0.00 N ATOM 932 NH2 ARG A 58 -12.887 -4.392 -0.324 1.00 0.00 N ATOM 0 H ARG A 58 -8.538 1.479 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.372 -0.661 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.879 -0.965 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.262 -2.125 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.424 -0.286 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.282 0.668 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.864 -0.370 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.976 -1.096 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.249 -2.599 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.624 -2.015 -1.613 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.154 -3.615 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.929 -4.600 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.620 -5.088 -0.189 1.00 0.00 H new ATOM 945 N CYS A 59 -7.109 -0.784 -4.958 1.00 0.00 N ATOM 946 CA CYS A 59 -6.347 -1.430 -6.012 1.00 0.00 C ATOM 947 C CYS A 59 -5.267 -2.298 -5.362 1.00 0.00 C ATOM 948 O CYS A 59 -4.869 -3.320 -5.918 1.00 0.00 O ATOM 949 CB CYS A 59 -5.750 -0.412 -6.986 1.00 0.00 C ATOM 950 SG CYS A 59 -4.744 0.901 -6.200 1.00 0.00 S ATOM 0 H CYS A 59 -6.767 0.138 -4.688 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.009 -2.059 -6.607 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.130 -0.942 -7.709 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.561 0.056 -7.544 1.00 0.00 H new ATOM 955 N ASN A 60 -4.824 -1.859 -4.194 1.00 0.00 N ATOM 956 CA ASN A 60 -3.775 -2.564 -3.478 1.00 0.00 C ATOM 957 C ASN A 60 -4.408 -3.543 -2.487 1.00 0.00 C ATOM 958 O ASN A 60 -5.528 -4.006 -2.696 1.00 0.00 O ATOM 959 CB ASN A 60 -2.898 -1.591 -2.687 1.00 0.00 C ATOM 960 CG ASN A 60 -3.683 -0.952 -1.541 1.00 0.00 C ATOM 961 OD1 ASN A 60 -4.874 -1.165 -1.375 1.00 0.00 O ATOM 962 ND2 ASN A 60 -2.954 -0.159 -0.761 1.00 0.00 N ATOM 963 OXT ASN A 60 -3.811 -3.862 -1.496 1.00 0.00 O ATOM 0 H ASN A 60 -5.173 -1.023 -3.725 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.161 -3.089 -4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.031 -2.119 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.520 -0.814 -3.351 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.387 0.314 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.962 -0.024 -0.956 1.00 0.00 H new