USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 50 THR OG1 : rot -36:sc= 0.375 USER MOD Set 1.2: A 53 GLN : amide:sc= -1.69! C(o=-1.3!,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.35 (180deg=0.032) USER MOD Single : A 2 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.8!) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00193) USER MOD Single : A 5 ASN : amide:sc=-0.00896 X(o=-0.009,f=-0.13) USER MOD Single : A 8 ASN : amide:sc= -1.76 K(o=-1.8,f=-4.9!) USER MOD Single : A 9 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.3!) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= -0.0549 (180deg=-0.567) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.531) USER MOD Single : A 17 ASN : amide:sc= 0.93 K(o=0.93,f=-0.36) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0141) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.0117 (180deg=-0.263) USER MOD Single : A 27 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.013) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= -0.0105 (180deg=-0.54) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -154:sc= -0.402 (180deg=-1.25) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.3 (180deg=-0.757) USER MOD Single : A 55 ASN : amide:sc= -3.66! C(o=-3.7!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 1.436 0.943 -2.268 1.00 1.00 C ATOM 4 O MET A 1 0.241 1.224 -2.198 1.00 1.00 O ATOM 5 CB MET A 1 2.115 -1.419 -1.816 1.00 1.00 C ATOM 6 CG MET A 1 0.716 -1.889 -2.220 1.00 1.00 C ATOM 7 SD MET A 1 -0.112 -2.619 -0.818 1.00 1.00 S ATOM 8 CE MET A 1 -1.390 -3.540 -1.657 1.00 1.00 C ATOM 0 H1 MET A 1 1.984 0.080 0.801 1.00 1.00 H new ATOM 0 H2 MET A 1 0.668 0.806 0.010 1.00 1.00 H new ATOM 0 H3 MET A 1 0.787 -0.886 0.082 1.00 1.00 H new ATOM 0 HA MET A 1 3.085 0.348 -1.038 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.776 -1.447 -2.682 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.532 -2.101 -1.075 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.136 -1.047 -2.598 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.787 -2.616 -3.029 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.005 -4.061 -0.923 1.00 1.00 H new ATOM 0 HE2 MET A 1 -2.014 -2.856 -2.232 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.933 -4.267 -2.329 1.00 1.00 H new ATOM 18 N GLN A 2 2.263 1.406 -3.194 1.00 1.00 N ATOM 19 CA GLN A 2 1.796 2.312 -4.229 1.00 1.00 C ATOM 20 C GLN A 2 0.776 1.609 -5.129 1.00 1.00 C ATOM 21 O GLN A 2 -0.080 2.258 -5.727 1.00 1.00 O ATOM 22 CB GLN A 2 2.966 2.859 -5.049 1.00 1.00 C ATOM 23 CG GLN A 2 3.765 1.721 -5.689 1.00 1.00 C ATOM 24 CD GLN A 2 3.803 1.868 -7.212 1.00 1.00 C ATOM 25 OE1 GLN A 2 3.415 2.879 -7.774 1.00 1.00 O ATOM 26 NE2 GLN A 2 4.290 0.805 -7.846 1.00 1.00 N ATOM 0 H GLN A 2 3.254 1.170 -3.249 1.00 1.00 H new ATOM 0 HA GLN A 2 1.306 3.159 -3.749 1.00 1.00 H new ATOM 0 HB2 GLN A 2 2.591 3.526 -5.825 1.00 1.00 H new ATOM 0 HB3 GLN A 2 3.619 3.451 -4.408 1.00 1.00 H new ATOM 0 HG2 GLN A 2 4.781 1.718 -5.295 1.00 1.00 H new ATOM 0 HG3 GLN A 2 3.318 0.763 -5.423 1.00 1.00 H new ATOM 0 HE21 GLN A 2 4.597 -0.009 -7.314 1.00 1.00 H new ATOM 0 HE22 GLN A 2 4.356 0.804 -8.864 1.00 1.00 H new ATOM 35 N LYS A 3 0.904 0.292 -5.196 1.00 1.00 N ATOM 36 CA LYS A 3 0.005 -0.506 -6.012 1.00 1.00 C ATOM 37 C LYS A 3 0.170 -1.983 -5.651 1.00 1.00 C ATOM 38 O LYS A 3 -0.738 -2.593 -5.088 1.00 1.00 O ATOM 39 CB LYS A 3 0.223 -0.208 -7.497 1.00 1.00 C ATOM 40 CG LYS A 3 -1.028 -0.544 -8.313 1.00 1.00 C ATOM 41 CD LYS A 3 -0.729 -1.623 -9.355 1.00 1.00 C ATOM 42 CE LYS A 3 -1.988 -1.989 -10.142 1.00 1.00 C ATOM 43 NZ LYS A 3 -2.867 -2.866 -9.335 1.00 1.00 N ATOM 0 H LYS A 3 1.616 -0.242 -4.699 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.032 -0.241 -5.806 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.475 0.844 -7.627 1.00 1.00 H new ATOM 0 HB3 LYS A 3 1.069 -0.786 -7.867 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.820 -0.886 -7.647 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -1.395 0.354 -8.809 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.042 -1.269 -10.039 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -0.334 -2.511 -8.861 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -2.526 -1.083 -10.421 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -1.712 -2.494 -11.068 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -3.709 -3.119 -9.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -2.351 -3.731 -9.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -3.159 -2.365 -8.472 1.00 1.00 H new ATOM 56 N GLY A 4 1.335 -2.515 -5.988 1.00 1.00 N ATOM 57 CA GLY A 4 1.631 -3.909 -5.706 1.00 1.00 C ATOM 58 C GLY A 4 3.140 -4.138 -5.594 1.00 1.00 C ATOM 59 O GLY A 4 3.701 -4.074 -4.501 1.00 1.00 O ATOM 0 H GLY A 4 2.086 -2.006 -6.454 1.00 1.00 H new ATOM 0 HA2 GLY A 4 1.145 -4.207 -4.777 1.00 1.00 H new ATOM 0 HA3 GLY A 4 1.222 -4.538 -6.496 1.00 1.00 H new ATOM 63 N ASN A 5 3.753 -4.399 -6.739 1.00 1.00 N ATOM 64 CA ASN A 5 5.186 -4.638 -6.783 1.00 1.00 C ATOM 65 C ASN A 5 5.471 -6.083 -6.368 1.00 1.00 C ATOM 66 O ASN A 5 6.105 -6.832 -7.110 1.00 1.00 O ATOM 67 CB ASN A 5 5.928 -3.713 -5.816 1.00 1.00 C ATOM 68 CG ASN A 5 7.223 -3.191 -6.441 1.00 1.00 C ATOM 69 OD1 ASN A 5 7.239 -2.639 -7.529 1.00 1.00 O ATOM 70 ND2 ASN A 5 8.305 -3.396 -5.696 1.00 1.00 N ATOM 0 H ASN A 5 3.284 -4.450 -7.643 1.00 1.00 H new ATOM 0 HA ASN A 5 5.529 -4.447 -7.800 1.00 1.00 H new ATOM 0 HB2 ASN A 5 5.287 -2.874 -5.545 1.00 1.00 H new ATOM 0 HB3 ASN A 5 6.155 -4.250 -4.895 1.00 1.00 H new ATOM 0 HD21 ASN A 5 9.218 -3.084 -6.027 1.00 1.00 H new ATOM 0 HD22 ASN A 5 8.222 -3.865 -4.794 1.00 1.00 H new ATOM 77 N PHE A 6 4.989 -6.431 -5.184 1.00 1.00 N ATOM 78 CA PHE A 6 5.185 -7.773 -4.662 1.00 1.00 C ATOM 79 C PHE A 6 4.012 -8.682 -5.036 1.00 1.00 C ATOM 80 O PHE A 6 3.065 -8.829 -4.264 1.00 1.00 O ATOM 81 CB PHE A 6 5.257 -7.654 -3.138 1.00 1.00 C ATOM 82 CG PHE A 6 6.130 -8.718 -2.472 1.00 1.00 C ATOM 83 CD1 PHE A 6 7.410 -8.908 -2.891 1.00 1.00 C ATOM 84 CD2 PHE A 6 5.627 -9.475 -1.460 1.00 1.00 C ATOM 85 CE1 PHE A 6 8.221 -9.896 -2.272 1.00 1.00 C ATOM 86 CE2 PHE A 6 6.438 -10.464 -0.841 1.00 1.00 C ATOM 87 CZ PHE A 6 7.717 -10.653 -1.261 1.00 1.00 C ATOM 0 H PHE A 6 4.463 -5.807 -4.571 1.00 1.00 H new ATOM 0 HA PHE A 6 6.094 -8.206 -5.079 1.00 1.00 H new ATOM 0 HB2 PHE A 6 5.642 -6.668 -2.879 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.248 -7.719 -2.731 1.00 1.00 H new ATOM 0 HD1 PHE A 6 7.810 -8.307 -3.695 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.611 -9.324 -1.127 1.00 1.00 H new ATOM 0 HE1 PHE A 6 9.238 -10.046 -2.604 1.00 1.00 H new ATOM 0 HE2 PHE A 6 6.039 -11.065 -0.037 1.00 1.00 H new ATOM 0 HZ PHE A 6 8.333 -11.405 -0.791 1.00 1.00 H new ATOM 97 N ARG A 7 4.114 -9.270 -6.219 1.00 1.00 N ATOM 98 CA ARG A 7 3.075 -10.161 -6.704 1.00 1.00 C ATOM 99 C ARG A 7 3.523 -11.618 -6.577 1.00 1.00 C ATOM 100 O ARG A 7 4.081 -12.184 -7.515 1.00 1.00 O ATOM 101 CB ARG A 7 2.734 -9.865 -8.166 1.00 1.00 C ATOM 102 CG ARG A 7 1.535 -8.920 -8.269 1.00 1.00 C ATOM 103 CD ARG A 7 1.937 -7.485 -7.921 1.00 1.00 C ATOM 104 NE ARG A 7 0.896 -6.859 -7.075 1.00 1.00 N ATOM 105 CZ ARG A 7 -0.331 -6.512 -7.518 1.00 1.00 C ATOM 106 NH1 ARG A 7 -0.681 -6.727 -8.804 1.00 1.00 N ATOM 107 NH2 ARG A 7 -1.183 -5.958 -6.675 1.00 1.00 N ATOM 0 H ARG A 7 4.901 -9.146 -6.856 1.00 1.00 H new ATOM 0 HA ARG A 7 2.186 -9.996 -6.095 1.00 1.00 H new ATOM 0 HB2 ARG A 7 3.597 -9.419 -8.661 1.00 1.00 H new ATOM 0 HB3 ARG A 7 2.513 -10.796 -8.687 1.00 1.00 H new ATOM 0 HG2 ARG A 7 1.127 -8.953 -9.279 1.00 1.00 H new ATOM 0 HG3 ARG A 7 0.745 -9.254 -7.596 1.00 1.00 H new ATOM 0 HD2 ARG A 7 2.893 -7.483 -7.397 1.00 1.00 H new ATOM 0 HD3 ARG A 7 2.073 -6.905 -8.834 1.00 1.00 H new ATOM 0 HE ARG A 7 1.120 -6.679 -6.096 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -0.016 -7.155 -9.449 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -1.610 -6.462 -9.131 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -0.910 -5.798 -5.705 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -2.114 -5.690 -6.994 1.00 1.00 H new ATOM 120 N ASN A 8 3.261 -12.185 -5.408 1.00 1.00 N ATOM 121 CA ASN A 8 3.630 -13.565 -5.146 1.00 1.00 C ATOM 122 C ASN A 8 3.047 -13.998 -3.799 1.00 1.00 C ATOM 123 O ASN A 8 3.551 -13.608 -2.747 1.00 1.00 O ATOM 124 CB ASN A 8 5.150 -13.725 -5.076 1.00 1.00 C ATOM 125 CG ASN A 8 5.742 -12.856 -3.965 1.00 1.00 C ATOM 126 OD1 ASN A 8 5.137 -11.908 -3.494 1.00 1.00 O ATOM 127 ND2 ASN A 8 6.957 -13.233 -3.574 1.00 1.00 N ATOM 0 H ASN A 8 2.797 -11.713 -4.632 1.00 1.00 H new ATOM 0 HA ASN A 8 3.240 -14.178 -5.958 1.00 1.00 H new ATOM 0 HB2 ASN A 8 5.401 -14.771 -4.898 1.00 1.00 H new ATOM 0 HB3 ASN A 8 5.593 -13.449 -6.033 1.00 1.00 H new ATOM 0 HD21 ASN A 8 7.438 -12.718 -2.837 1.00 1.00 H new ATOM 0 HD22 ASN A 8 7.407 -14.037 -4.011 1.00 1.00 H new ATOM 134 N GLN A 9 1.994 -14.797 -3.875 1.00 1.00 N ATOM 135 CA GLN A 9 1.337 -15.287 -2.675 1.00 1.00 C ATOM 136 C GLN A 9 0.964 -14.119 -1.760 1.00 1.00 C ATOM 137 O GLN A 9 1.817 -13.579 -1.058 1.00 1.00 O ATOM 138 CB GLN A 9 2.220 -16.298 -1.941 1.00 1.00 C ATOM 139 CG GLN A 9 2.238 -17.642 -2.671 1.00 1.00 C ATOM 140 CD GLN A 9 3.673 -18.099 -2.943 1.00 1.00 C ATOM 141 OE1 GLN A 9 4.639 -17.453 -2.570 1.00 1.00 O ATOM 142 NE2 GLN A 9 3.758 -19.245 -3.612 1.00 1.00 N ATOM 0 H GLN A 9 1.579 -15.118 -4.750 1.00 1.00 H new ATOM 0 HA GLN A 9 0.421 -15.800 -2.969 1.00 1.00 H new ATOM 0 HB2 GLN A 9 3.235 -15.909 -1.862 1.00 1.00 H new ATOM 0 HB3 GLN A 9 1.852 -16.437 -0.925 1.00 1.00 H new ATOM 0 HG2 GLN A 9 1.721 -18.392 -2.072 1.00 1.00 H new ATOM 0 HG3 GLN A 9 1.695 -17.556 -3.612 1.00 1.00 H new ATOM 0 HE21 GLN A 9 2.909 -19.735 -3.894 1.00 1.00 H new ATOM 0 HE22 GLN A 9 4.672 -19.634 -3.843 1.00 1.00 H new ATOM 151 N ARG A 10 -0.312 -13.763 -1.799 1.00 1.00 N ATOM 152 CA ARG A 10 -0.808 -12.669 -0.982 1.00 1.00 C ATOM 153 C ARG A 10 -0.150 -11.353 -1.400 1.00 1.00 C ATOM 154 O ARG A 10 1.071 -11.279 -1.528 1.00 1.00 O ATOM 155 CB ARG A 10 -0.533 -12.920 0.502 1.00 1.00 C ATOM 156 CG ARG A 10 -1.821 -13.277 1.246 1.00 1.00 C ATOM 157 CD ARG A 10 -1.571 -13.392 2.751 1.00 1.00 C ATOM 158 NE ARG A 10 -1.813 -14.781 3.200 1.00 1.00 N ATOM 159 CZ ARG A 10 -0.873 -15.750 3.202 1.00 1.00 C ATOM 160 NH1 ARG A 10 0.381 -15.489 2.777 1.00 1.00 N ATOM 161 NH2 ARG A 10 -1.200 -16.957 3.625 1.00 1.00 N ATOM 0 H ARG A 10 -1.017 -14.213 -2.383 1.00 1.00 H new ATOM 0 HA ARG A 10 -1.885 -12.605 -1.134 1.00 1.00 H new ATOM 0 HB2 ARG A 10 0.189 -13.729 0.610 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -0.086 -12.032 0.948 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -2.578 -12.516 1.057 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -2.215 -14.220 0.866 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -0.546 -13.100 2.981 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -2.226 -12.708 3.290 1.00 1.00 H new ATOM 0 HE ARG A 10 -2.748 -15.021 3.528 1.00 1.00 H new ATOM 0 HH11 ARG A 10 0.625 -14.554 2.451 1.00 1.00 H new ATOM 0 HH12 ARG A 10 1.085 -16.227 2.782 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -2.150 -17.146 3.944 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -0.502 -17.701 3.633 1.00 1.00 H new ATOM 174 N LYS A 11 -0.988 -10.346 -1.602 1.00 1.00 N ATOM 175 CA LYS A 11 -0.502 -9.037 -2.003 1.00 1.00 C ATOM 176 C LYS A 11 0.459 -8.506 -0.938 1.00 1.00 C ATOM 177 O LYS A 11 1.631 -8.261 -1.220 1.00 1.00 O ATOM 178 CB LYS A 11 -1.673 -8.098 -2.298 1.00 1.00 C ATOM 179 CG LYS A 11 -2.136 -8.237 -3.749 1.00 1.00 C ATOM 180 CD LYS A 11 -2.841 -6.965 -4.225 1.00 1.00 C ATOM 181 CE LYS A 11 -4.224 -6.832 -3.582 1.00 1.00 C ATOM 182 NZ LYS A 11 -4.136 -6.068 -2.318 1.00 1.00 N ATOM 0 H LYS A 11 -2.000 -10.411 -1.495 1.00 1.00 H new ATOM 0 HA LYS A 11 0.061 -9.109 -2.933 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -2.501 -8.322 -1.625 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -1.375 -7.068 -2.105 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -1.279 -8.443 -4.390 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -2.812 -9.087 -3.839 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -2.235 -6.094 -3.976 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -2.941 -6.984 -5.310 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -4.905 -6.331 -4.270 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -4.638 -7.821 -3.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -4.517 -6.642 -1.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -3.142 -5.834 -2.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -4.688 -5.190 -2.404 1.00 1.00 H new ATOM 195 N THR A 12 -0.073 -8.343 0.265 1.00 1.00 N ATOM 196 CA THR A 12 0.723 -7.845 1.374 1.00 1.00 C ATOM 197 C THR A 12 0.536 -8.733 2.605 1.00 1.00 C ATOM 198 O THR A 12 -0.395 -9.535 2.661 1.00 1.00 O ATOM 199 CB THR A 12 0.338 -6.384 1.614 1.00 1.00 C ATOM 200 OG1 THR A 12 -1.078 -6.420 1.773 1.00 1.00 O ATOM 201 CG2 THR A 12 0.553 -5.511 0.377 1.00 1.00 C ATOM 0 H THR A 12 -1.045 -8.547 0.496 1.00 1.00 H new ATOM 0 HA THR A 12 1.788 -7.882 1.145 1.00 1.00 H new ATOM 0 HB THR A 12 0.922 -5.986 2.444 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.412 -5.513 1.935 1.00 1.00 H new ATOM 0 HG21 THR A 12 0.264 -4.484 0.602 1.00 1.00 H new ATOM 0 HG22 THR A 12 1.604 -5.538 0.091 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.056 -5.888 -0.445 1.00 1.00 H new ATOM 209 N VAL A 13 1.436 -8.561 3.562 1.00 1.00 N ATOM 210 CA VAL A 13 1.382 -9.337 4.790 1.00 1.00 C ATOM 211 C VAL A 13 1.693 -8.425 5.978 1.00 1.00 C ATOM 212 O VAL A 13 2.363 -7.405 5.824 1.00 1.00 O ATOM 213 CB VAL A 13 2.327 -10.536 4.693 1.00 1.00 C ATOM 214 CG1 VAL A 13 1.819 -11.554 3.670 1.00 1.00 C ATOM 215 CG2 VAL A 13 3.751 -10.087 4.358 1.00 1.00 C ATOM 0 H VAL A 13 2.207 -7.895 3.512 1.00 1.00 H new ATOM 0 HA VAL A 13 0.381 -9.741 4.943 1.00 1.00 H new ATOM 0 HB VAL A 13 2.350 -11.023 5.668 1.00 1.00 H new ATOM 0 HG11 VAL A 13 2.509 -12.396 3.621 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.833 -11.910 3.969 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.752 -11.082 2.690 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.402 -10.959 4.295 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.752 -9.564 3.402 1.00 1.00 H new ATOM 0 HG23 VAL A 13 4.115 -9.418 5.138 1.00 1.00 H new ATOM 225 N LYS A 14 1.191 -8.826 7.137 1.00 1.00 N ATOM 226 CA LYS A 14 1.407 -8.058 8.352 1.00 1.00 C ATOM 227 C LYS A 14 1.953 -8.980 9.443 1.00 1.00 C ATOM 228 O LYS A 14 1.378 -10.033 9.716 1.00 1.00 O ATOM 229 CB LYS A 14 0.128 -7.320 8.753 1.00 1.00 C ATOM 230 CG LYS A 14 -0.764 -8.204 9.626 1.00 1.00 C ATOM 231 CD LYS A 14 -2.231 -7.787 9.510 1.00 1.00 C ATOM 232 CE LYS A 14 -2.569 -6.685 10.516 1.00 1.00 C ATOM 233 NZ LYS A 14 -2.164 -5.362 9.992 1.00 1.00 N ATOM 0 H LYS A 14 0.635 -9.672 7.260 1.00 1.00 H new ATOM 0 HA LYS A 14 2.156 -7.284 8.185 1.00 1.00 H new ATOM 0 HB2 LYS A 14 0.384 -6.409 9.294 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -0.417 -7.018 7.859 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -0.654 -9.246 9.327 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -0.444 -8.136 10.666 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.434 -7.436 8.498 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -2.873 -8.651 9.682 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -3.639 -6.689 10.722 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.062 -6.879 11.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -2.874 -4.651 10.260 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.241 -5.098 10.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -2.092 -5.406 8.955 1.00 1.00 H new ATOM 246 N CYS A 15 3.057 -8.552 10.038 1.00 1.00 N ATOM 247 CA CYS A 15 3.687 -9.326 11.094 1.00 1.00 C ATOM 248 C CYS A 15 3.008 -8.973 12.419 1.00 1.00 C ATOM 249 O CYS A 15 3.161 -7.860 12.922 1.00 1.00 O ATOM 250 CB CYS A 15 5.197 -9.089 11.145 1.00 1.00 C ATOM 251 SG CYS A 15 5.946 -10.106 12.470 1.00 1.00 S ATOM 0 H CYS A 15 3.531 -7.679 9.809 1.00 1.00 H new ATOM 0 HA CYS A 15 3.560 -10.390 10.894 1.00 1.00 H new ATOM 0 HB2 CYS A 15 5.646 -9.341 10.184 1.00 1.00 H new ATOM 0 HB3 CYS A 15 5.402 -8.034 11.325 1.00 1.00 H new ATOM 256 N PHE A 16 2.274 -9.941 12.948 1.00 1.00 N ATOM 257 CA PHE A 16 1.572 -9.745 14.205 1.00 1.00 C ATOM 258 C PHE A 16 2.486 -10.042 15.395 1.00 1.00 C ATOM 259 O PHE A 16 2.021 -10.139 16.530 1.00 1.00 O ATOM 260 CB PHE A 16 0.399 -10.729 14.219 1.00 1.00 C ATOM 261 CG PHE A 16 -0.932 -10.103 14.640 1.00 1.00 C ATOM 262 CD1 PHE A 16 -1.497 -9.129 13.876 1.00 1.00 C ATOM 263 CD2 PHE A 16 -1.551 -10.520 15.777 1.00 1.00 C ATOM 264 CE1 PHE A 16 -2.733 -8.549 14.266 1.00 1.00 C ATOM 265 CE2 PHE A 16 -2.787 -9.940 16.166 1.00 1.00 C ATOM 266 CZ PHE A 16 -3.352 -8.966 15.403 1.00 1.00 C ATOM 0 H PHE A 16 2.150 -10.863 12.529 1.00 1.00 H new ATOM 0 HA PHE A 16 1.237 -8.711 14.288 1.00 1.00 H new ATOM 0 HB2 PHE A 16 0.288 -11.160 13.224 1.00 1.00 H new ATOM 0 HB3 PHE A 16 0.634 -11.549 14.897 1.00 1.00 H new ATOM 0 HD1 PHE A 16 -1.006 -8.797 12.973 1.00 1.00 H new ATOM 0 HD2 PHE A 16 -1.102 -11.292 16.384 1.00 1.00 H new ATOM 0 HE1 PHE A 16 -3.182 -7.776 13.659 1.00 1.00 H new ATOM 0 HE2 PHE A 16 -3.279 -10.272 17.068 1.00 1.00 H new ATOM 0 HZ PHE A 16 -4.292 -8.524 15.700 1.00 1.00 H new ATOM 276 N ASN A 17 3.769 -10.179 15.095 1.00 1.00 N ATOM 277 CA ASN A 17 4.752 -10.463 16.126 1.00 1.00 C ATOM 278 C ASN A 17 5.469 -9.167 16.513 1.00 1.00 C ATOM 279 O ASN A 17 5.652 -8.884 17.695 1.00 1.00 O ATOM 280 CB ASN A 17 5.805 -11.454 15.626 1.00 1.00 C ATOM 281 CG ASN A 17 6.539 -12.112 16.796 1.00 1.00 C ATOM 282 OD1 ASN A 17 5.998 -12.932 17.520 1.00 1.00 O ATOM 283 ND2 ASN A 17 7.798 -11.708 16.941 1.00 1.00 N ATOM 0 H ASN A 17 4.150 -10.099 14.152 1.00 1.00 H new ATOM 0 HA ASN A 17 4.229 -10.893 16.980 1.00 1.00 H new ATOM 0 HB2 ASN A 17 5.327 -12.220 15.015 1.00 1.00 H new ATOM 0 HB3 ASN A 17 6.521 -10.937 14.987 1.00 1.00 H new ATOM 0 HD21 ASN A 17 8.372 -12.088 17.694 1.00 1.00 H new ATOM 0 HD22 ASN A 17 8.189 -11.018 16.300 1.00 1.00 H new ATOM 290 N CYS A 18 5.855 -8.415 15.492 1.00 1.00 N ATOM 291 CA CYS A 18 6.547 -7.157 15.710 1.00 1.00 C ATOM 292 C CYS A 18 5.580 -6.015 15.389 1.00 1.00 C ATOM 293 O CYS A 18 5.592 -4.981 16.055 1.00 1.00 O ATOM 294 CB CYS A 18 7.831 -7.067 14.883 1.00 1.00 C ATOM 295 SG CYS A 18 7.456 -7.340 13.113 1.00 1.00 S ATOM 0 H CYS A 18 5.701 -8.653 14.512 1.00 1.00 H new ATOM 0 HA CYS A 18 6.858 -7.086 16.752 1.00 1.00 H new ATOM 0 HB2 CYS A 18 8.293 -6.089 15.019 1.00 1.00 H new ATOM 0 HB3 CYS A 18 8.549 -7.810 15.230 1.00 1.00 H new ATOM 300 N GLY A 19 4.767 -6.241 14.367 1.00 1.00 N ATOM 301 CA GLY A 19 3.796 -5.244 13.950 1.00 1.00 C ATOM 302 C GLY A 19 4.272 -4.507 12.696 1.00 1.00 C ATOM 303 O GLY A 19 3.867 -3.372 12.447 1.00 1.00 O ATOM 0 H GLY A 19 4.761 -7.099 13.816 1.00 1.00 H new ATOM 0 HA2 GLY A 19 2.838 -5.725 13.752 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.634 -4.529 14.757 1.00 1.00 H new ATOM 307 N LYS A 20 5.125 -5.181 11.940 1.00 1.00 N ATOM 308 CA LYS A 20 5.660 -4.605 10.718 1.00 1.00 C ATOM 309 C LYS A 20 5.175 -5.422 9.519 1.00 1.00 C ATOM 310 O LYS A 20 5.133 -6.649 9.575 1.00 1.00 O ATOM 311 CB LYS A 20 7.183 -4.484 10.805 1.00 1.00 C ATOM 312 CG LYS A 20 7.590 -3.291 11.672 1.00 1.00 C ATOM 313 CD LYS A 20 8.856 -2.625 11.128 1.00 1.00 C ATOM 314 CE LYS A 20 9.061 -1.244 11.755 1.00 1.00 C ATOM 315 NZ LYS A 20 9.347 -1.370 13.201 1.00 1.00 N ATOM 0 H LYS A 20 5.459 -6.121 12.150 1.00 1.00 H new ATOM 0 HA LYS A 20 5.290 -3.589 10.582 1.00 1.00 H new ATOM 0 HB2 LYS A 20 7.601 -5.400 11.222 1.00 1.00 H new ATOM 0 HB3 LYS A 20 7.600 -4.370 9.804 1.00 1.00 H new ATOM 0 HG2 LYS A 20 6.777 -2.565 11.703 1.00 1.00 H new ATOM 0 HG3 LYS A 20 7.760 -3.622 12.696 1.00 1.00 H new ATOM 0 HD2 LYS A 20 9.721 -3.255 11.336 1.00 1.00 H new ATOM 0 HD3 LYS A 20 8.784 -2.530 10.045 1.00 1.00 H new ATOM 0 HE2 LYS A 20 9.885 -0.731 11.258 1.00 1.00 H new ATOM 0 HE3 LYS A 20 8.170 -0.634 11.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 9.583 -0.435 13.591 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 8.509 -1.747 13.689 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 10.149 -2.017 13.341 1.00 1.00 H new ATOM 328 N GLU A 21 4.821 -4.707 8.461 1.00 1.00 N ATOM 329 CA GLU A 21 4.341 -5.350 7.249 1.00 1.00 C ATOM 330 C GLU A 21 5.519 -5.853 6.412 1.00 1.00 C ATOM 331 O GLU A 21 6.639 -5.362 6.552 1.00 1.00 O ATOM 332 CB GLU A 21 3.458 -4.400 6.438 1.00 1.00 C ATOM 333 CG GLU A 21 4.279 -3.244 5.863 1.00 1.00 C ATOM 334 CD GLU A 21 3.411 -1.999 5.667 1.00 1.00 C ATOM 335 OE1 GLU A 21 3.635 -0.978 6.333 1.00 1.00 O ATOM 336 OE2 GLU A 21 2.478 -2.118 4.785 1.00 1.00 O ATOM 0 H GLU A 21 4.857 -3.689 8.418 1.00 1.00 H new ATOM 0 HA GLU A 21 3.731 -6.207 7.533 1.00 1.00 H new ATOM 0 HB2 GLU A 21 2.977 -4.948 5.627 1.00 1.00 H new ATOM 0 HB3 GLU A 21 2.663 -4.006 7.072 1.00 1.00 H new ATOM 0 HG2 GLU A 21 5.107 -3.013 6.533 1.00 1.00 H new ATOM 0 HG3 GLU A 21 4.715 -3.542 4.909 1.00 1.00 H new ATOM 344 N GLY A 22 5.227 -6.825 5.562 1.00 1.00 N ATOM 345 CA GLY A 22 6.248 -7.400 4.702 1.00 1.00 C ATOM 346 C GLY A 22 6.618 -8.812 5.160 1.00 1.00 C ATOM 347 O GLY A 22 7.516 -9.436 4.596 1.00 1.00 O ATOM 0 H GLY A 22 4.298 -7.230 5.450 1.00 1.00 H new ATOM 0 HA2 GLY A 22 5.888 -7.430 3.674 1.00 1.00 H new ATOM 0 HA3 GLY A 22 7.135 -6.767 4.711 1.00 1.00 H new ATOM 351 N HIS A 23 5.907 -9.276 6.177 1.00 1.00 N ATOM 352 CA HIS A 23 6.149 -10.603 6.717 1.00 1.00 C ATOM 353 C HIS A 23 5.114 -10.914 7.799 1.00 1.00 C ATOM 354 O HIS A 23 4.478 -10.007 8.334 1.00 1.00 O ATOM 355 CB HIS A 23 7.589 -10.730 7.219 1.00 1.00 C ATOM 356 CG HIS A 23 7.840 -10.050 8.543 1.00 1.00 C ATOM 357 ND1 HIS A 23 7.985 -8.679 8.666 1.00 1.00 N ATOM 358 CD2 HIS A 23 7.969 -10.565 9.800 1.00 1.00 C ATOM 359 CE1 HIS A 23 8.193 -8.393 9.943 1.00 1.00 C ATOM 360 NE2 HIS A 23 8.183 -9.564 10.644 1.00 1.00 N ATOM 0 H HIS A 23 5.163 -8.756 6.642 1.00 1.00 H new ATOM 0 HA HIS A 23 6.033 -11.347 5.929 1.00 1.00 H new ATOM 0 HB2 HIS A 23 7.839 -11.787 7.312 1.00 1.00 H new ATOM 0 HB3 HIS A 23 8.262 -10.308 6.472 1.00 1.00 H new ATOM 0 HD1 HIS A 23 7.939 -8.003 7.903 1.00 1.00 H new ATOM 0 HD2 HIS A 23 7.907 -11.611 10.063 1.00 1.00 H new ATOM 0 HE1 HIS A 23 8.344 -7.407 10.356 1.00 1.00 H new ATOM 368 N ILE A 24 4.977 -12.199 8.090 1.00 1.00 N ATOM 369 CA ILE A 24 4.029 -12.641 9.099 1.00 1.00 C ATOM 370 C ILE A 24 4.777 -12.932 10.402 1.00 1.00 C ATOM 371 O ILE A 24 6.005 -13.008 10.413 1.00 1.00 O ATOM 372 CB ILE A 24 3.210 -13.825 8.583 1.00 1.00 C ATOM 373 CG1 ILE A 24 4.120 -14.988 8.181 1.00 1.00 C ATOM 374 CG2 ILE A 24 2.288 -13.397 7.439 1.00 1.00 C ATOM 375 CD1 ILE A 24 3.305 -16.256 7.917 1.00 1.00 C ATOM 0 H ILE A 24 5.507 -12.949 7.645 1.00 1.00 H new ATOM 0 HA ILE A 24 3.307 -11.853 9.314 1.00 1.00 H new ATOM 0 HB ILE A 24 2.574 -14.179 9.394 1.00 1.00 H new ATOM 0 HG12 ILE A 24 4.684 -14.721 7.287 1.00 1.00 H new ATOM 0 HG13 ILE A 24 4.846 -15.176 8.972 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.717 -14.258 7.090 1.00 1.00 H new ATOM 0 HG22 ILE A 24 1.603 -12.626 7.793 1.00 1.00 H new ATOM 0 HG23 ILE A 24 2.886 -13.002 6.618 1.00 1.00 H new ATOM 0 HD11 ILE A 24 3.976 -17.067 7.633 1.00 1.00 H new ATOM 0 HD12 ILE A 24 2.761 -16.534 8.820 1.00 1.00 H new ATOM 0 HD13 ILE A 24 2.597 -16.072 7.109 1.00 1.00 H new ATOM 387 N ALA A 25 4.006 -13.087 11.468 1.00 1.00 N ATOM 388 CA ALA A 25 4.580 -13.369 12.772 1.00 1.00 C ATOM 389 C ALA A 25 5.372 -14.676 12.705 1.00 1.00 C ATOM 390 O ALA A 25 6.463 -14.774 13.264 1.00 1.00 O ATOM 391 CB ALA A 25 3.467 -13.414 13.821 1.00 1.00 C ATOM 0 H ALA A 25 2.988 -13.023 11.455 1.00 1.00 H new ATOM 0 HA ALA A 25 5.272 -12.580 13.065 1.00 1.00 H new ATOM 0 HB1 ALA A 25 3.898 -13.626 14.800 1.00 1.00 H new ATOM 0 HB2 ALA A 25 2.955 -12.452 13.850 1.00 1.00 H new ATOM 0 HB3 ALA A 25 2.754 -14.196 13.562 1.00 1.00 H new ATOM 397 N LYS A 26 4.791 -15.648 12.017 1.00 1.00 N ATOM 398 CA LYS A 26 5.429 -16.945 11.869 1.00 1.00 C ATOM 399 C LYS A 26 6.749 -16.777 11.115 1.00 1.00 C ATOM 400 O LYS A 26 7.613 -17.651 11.165 1.00 1.00 O ATOM 401 CB LYS A 26 4.470 -17.942 11.216 1.00 1.00 C ATOM 402 CG LYS A 26 5.074 -19.348 11.193 1.00 1.00 C ATOM 403 CD LYS A 26 4.978 -19.963 9.795 1.00 1.00 C ATOM 404 CE LYS A 26 5.670 -21.327 9.747 1.00 1.00 C ATOM 405 NZ LYS A 26 7.132 -21.173 9.922 1.00 1.00 N ATOM 0 H LYS A 26 3.885 -15.563 11.556 1.00 1.00 H new ATOM 0 HA LYS A 26 5.671 -17.364 12.846 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.527 -17.956 11.762 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.244 -17.622 10.199 1.00 1.00 H new ATOM 0 HG2 LYS A 26 6.118 -19.304 11.504 1.00 1.00 H new ATOM 0 HG3 LYS A 26 4.554 -19.983 11.910 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.931 -20.072 9.513 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.436 -19.293 9.067 1.00 1.00 H new ATOM 0 HE2 LYS A 26 5.270 -21.972 10.529 1.00 1.00 H new ATOM 0 HE3 LYS A 26 5.461 -21.814 8.795 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 7.611 -22.046 9.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 7.469 -20.377 9.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 7.344 -20.988 10.923 1.00 1.00 H new ATOM 418 N ASN A 27 6.865 -15.646 10.433 1.00 1.00 N ATOM 419 CA ASN A 27 8.065 -15.352 9.669 1.00 1.00 C ATOM 420 C ASN A 27 8.818 -14.199 10.335 1.00 1.00 C ATOM 421 O ASN A 27 9.605 -13.511 9.688 1.00 1.00 O ATOM 422 CB ASN A 27 7.719 -14.928 8.241 1.00 1.00 C ATOM 423 CG ASN A 27 8.304 -15.906 7.221 1.00 1.00 C ATOM 424 OD1 ASN A 27 8.065 -17.102 7.261 1.00 1.00 O ATOM 425 ND2 ASN A 27 9.083 -15.334 6.307 1.00 1.00 N ATOM 0 H ASN A 27 6.147 -14.923 10.394 1.00 1.00 H new ATOM 0 HA ASN A 27 8.675 -16.255 9.639 1.00 1.00 H new ATOM 0 HB2 ASN A 27 6.636 -14.880 8.124 1.00 1.00 H new ATOM 0 HB3 ASN A 27 8.105 -13.926 8.052 1.00 1.00 H new ATOM 0 HD21 ASN A 27 9.522 -15.903 5.583 1.00 1.00 H new ATOM 0 HD22 ASN A 27 9.242 -14.327 6.330 1.00 1.00 H new ATOM 432 N CYS A 28 8.551 -14.024 11.621 1.00 1.00 N ATOM 433 CA CYS A 28 9.193 -12.966 12.382 1.00 1.00 C ATOM 434 C CYS A 28 10.549 -13.482 12.871 1.00 1.00 C ATOM 435 O CYS A 28 10.609 -14.388 13.700 1.00 1.00 O ATOM 436 CB CYS A 28 8.314 -12.487 13.539 1.00 1.00 C ATOM 437 SG CYS A 28 9.024 -10.971 14.278 1.00 1.00 S ATOM 0 H CYS A 28 7.898 -14.598 12.155 1.00 1.00 H new ATOM 0 HA CYS A 28 9.344 -12.096 11.743 1.00 1.00 H new ATOM 0 HB2 CYS A 28 7.304 -12.288 13.181 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.236 -13.268 14.295 1.00 1.00 H new ATOM 442 N ARG A 29 11.602 -12.882 12.336 1.00 1.00 N ATOM 443 CA ARG A 29 12.952 -13.269 12.708 1.00 1.00 C ATOM 444 C ARG A 29 13.350 -12.605 14.028 1.00 1.00 C ATOM 445 O ARG A 29 14.482 -12.755 14.486 1.00 1.00 O ATOM 446 CB ARG A 29 13.957 -12.874 11.623 1.00 1.00 C ATOM 447 CG ARG A 29 14.827 -14.066 11.222 1.00 1.00 C ATOM 448 CD ARG A 29 16.007 -14.231 12.181 1.00 1.00 C ATOM 449 NE ARG A 29 15.984 -15.582 12.785 1.00 1.00 N ATOM 450 CZ ARG A 29 17.077 -16.221 13.253 1.00 1.00 C ATOM 451 NH1 ARG A 29 18.292 -15.636 13.191 1.00 1.00 N ATOM 452 NH2 ARG A 29 16.940 -17.426 13.774 1.00 1.00 N ATOM 0 H ARG A 29 11.548 -12.131 11.648 1.00 1.00 H new ATOM 0 HA ARG A 29 12.966 -14.353 12.824 1.00 1.00 H new ATOM 0 HB2 ARG A 29 13.425 -12.497 10.749 1.00 1.00 H new ATOM 0 HB3 ARG A 29 14.589 -12.063 11.985 1.00 1.00 H new ATOM 0 HG2 ARG A 29 14.226 -14.975 11.220 1.00 1.00 H new ATOM 0 HG3 ARG A 29 15.196 -13.926 10.206 1.00 1.00 H new ATOM 0 HD2 ARG A 29 16.945 -14.079 11.646 1.00 1.00 H new ATOM 0 HD3 ARG A 29 15.959 -13.473 12.963 1.00 1.00 H new ATOM 0 HE ARG A 29 15.086 -16.060 12.852 1.00 1.00 H new ATOM 0 HH11 ARG A 29 18.389 -14.704 12.788 1.00 1.00 H new ATOM 0 HH12 ARG A 29 19.113 -16.126 13.547 1.00 1.00 H new ATOM 0 HH21 ARG A 29 16.018 -17.861 13.818 1.00 1.00 H new ATOM 0 HH22 ARG A 29 17.756 -17.923 14.132 1.00 1.00 H new ATOM 465 N ALA A 30 12.398 -11.885 14.602 1.00 1.00 N ATOM 466 CA ALA A 30 12.635 -11.197 15.860 1.00 1.00 C ATOM 467 C ALA A 30 13.476 -12.091 16.774 1.00 1.00 C ATOM 468 O ALA A 30 12.952 -13.003 17.410 1.00 1.00 O ATOM 469 CB ALA A 30 11.296 -10.813 16.492 1.00 1.00 C ATOM 0 H ALA A 30 11.460 -11.763 14.219 1.00 1.00 H new ATOM 0 HA ALA A 30 13.193 -10.276 15.695 1.00 1.00 H new ATOM 0 HB1 ALA A 30 11.474 -10.297 17.436 1.00 1.00 H new ATOM 0 HB2 ALA A 30 10.750 -10.155 15.816 1.00 1.00 H new ATOM 0 HB3 ALA A 30 10.709 -11.713 16.676 1.00 1.00 H new ATOM 475 N PRO A 31 14.802 -11.790 16.810 1.00 1.00 N ATOM 476 CA PRO A 31 15.721 -12.555 17.635 1.00 1.00 C ATOM 477 C PRO A 31 15.563 -12.193 19.113 1.00 1.00 C ATOM 478 O PRO A 31 14.799 -11.292 19.457 1.00 1.00 O ATOM 479 CB PRO A 31 17.102 -12.233 17.089 1.00 1.00 C ATOM 480 CG PRO A 31 16.945 -10.950 16.289 1.00 1.00 C ATOM 481 CD PRO A 31 15.459 -10.717 16.070 1.00 1.00 C ATOM 0 HA PRO A 31 15.531 -13.627 17.592 1.00 1.00 H new ATOM 0 HB2 PRO A 31 17.821 -12.103 17.898 1.00 1.00 H new ATOM 0 HB3 PRO A 31 17.472 -13.043 16.460 1.00 1.00 H new ATOM 0 HG2 PRO A 31 17.389 -10.110 16.824 1.00 1.00 H new ATOM 0 HG3 PRO A 31 17.464 -11.030 15.334 1.00 1.00 H new ATOM 0 HD2 PRO A 31 15.153 -9.738 16.438 1.00 1.00 H new ATOM 0 HD3 PRO A 31 15.204 -10.753 15.011 1.00 1.00 H new ATOM 489 N ARG A 32 16.297 -12.913 19.948 1.00 1.00 N ATOM 490 CA ARG A 32 16.248 -12.679 21.381 1.00 1.00 C ATOM 491 C ARG A 32 14.837 -12.938 21.913 1.00 1.00 C ATOM 492 O ARG A 32 13.932 -12.133 21.698 1.00 1.00 O ATOM 493 CB ARG A 32 16.658 -11.245 21.719 1.00 1.00 C ATOM 494 CG ARG A 32 18.130 -11.001 21.380 1.00 1.00 C ATOM 495 CD ARG A 32 18.717 -9.890 22.254 1.00 1.00 C ATOM 496 NE ARG A 32 19.714 -10.457 23.189 1.00 1.00 N ATOM 497 CZ ARG A 32 20.740 -9.755 23.718 1.00 1.00 C ATOM 498 NH1 ARG A 32 20.912 -8.453 23.407 1.00 1.00 N ATOM 499 NH2 ARG A 32 21.572 -10.362 24.544 1.00 1.00 N ATOM 0 H ARG A 32 16.930 -13.659 19.659 1.00 1.00 H new ATOM 0 HA ARG A 32 16.950 -13.366 21.854 1.00 1.00 H new ATOM 0 HB2 ARG A 32 16.033 -10.544 21.166 1.00 1.00 H new ATOM 0 HB3 ARG A 32 16.489 -11.055 22.779 1.00 1.00 H new ATOM 0 HG2 ARG A 32 18.697 -11.920 21.524 1.00 1.00 H new ATOM 0 HG3 ARG A 32 18.225 -10.730 20.329 1.00 1.00 H new ATOM 0 HD2 ARG A 32 19.185 -9.131 21.627 1.00 1.00 H new ATOM 0 HD3 ARG A 32 17.922 -9.396 22.812 1.00 1.00 H new ATOM 0 HE ARG A 32 19.621 -11.439 23.450 1.00 1.00 H new ATOM 0 HH11 ARG A 32 20.265 -7.991 22.768 1.00 1.00 H new ATOM 0 HH12 ARG A 32 21.689 -7.931 23.811 1.00 1.00 H new ATOM 0 HH21 ARG A 32 21.435 -11.346 24.774 1.00 1.00 H new ATOM 0 HH22 ARG A 32 22.352 -9.847 24.952 1.00 1.00 H new ATOM 512 N LYS A 33 14.694 -14.064 22.597 1.00 1.00 N ATOM 513 CA LYS A 33 13.408 -14.438 23.161 1.00 1.00 C ATOM 514 C LYS A 33 12.852 -13.267 23.973 1.00 1.00 C ATOM 515 O LYS A 33 13.431 -12.878 24.986 1.00 1.00 O ATOM 516 CB LYS A 33 13.532 -15.737 23.961 1.00 1.00 C ATOM 517 CG LYS A 33 14.601 -15.611 25.049 1.00 1.00 C ATOM 518 CD LYS A 33 14.660 -16.876 25.907 1.00 1.00 C ATOM 519 CE LYS A 33 13.458 -16.955 26.851 1.00 1.00 C ATOM 520 NZ LYS A 33 13.703 -17.948 27.921 1.00 1.00 N ATOM 0 H LYS A 33 15.447 -14.729 22.773 1.00 1.00 H new ATOM 0 HA LYS A 33 12.690 -14.646 22.368 1.00 1.00 H new ATOM 0 HB2 LYS A 33 12.572 -15.981 24.416 1.00 1.00 H new ATOM 0 HB3 LYS A 33 13.785 -16.558 23.291 1.00 1.00 H new ATOM 0 HG2 LYS A 33 15.573 -15.433 24.590 1.00 1.00 H new ATOM 0 HG3 LYS A 33 14.384 -14.749 25.680 1.00 1.00 H new ATOM 0 HD2 LYS A 33 14.680 -17.756 25.264 1.00 1.00 H new ATOM 0 HD3 LYS A 33 15.583 -16.884 26.486 1.00 1.00 H new ATOM 0 HE2 LYS A 33 13.269 -15.976 27.292 1.00 1.00 H new ATOM 0 HE3 LYS A 33 12.565 -17.229 26.290 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 12.878 -17.989 28.552 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 13.861 -18.884 27.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 14.543 -17.670 28.467 1.00 1.00 H new ATOM 533 N LYS A 34 11.734 -12.737 23.497 1.00 1.00 N ATOM 534 CA LYS A 34 11.093 -11.618 24.167 1.00 1.00 C ATOM 535 C LYS A 34 9.688 -12.031 24.609 1.00 1.00 C ATOM 536 O LYS A 34 8.695 -11.533 24.080 1.00 1.00 O ATOM 537 CB LYS A 34 11.116 -10.375 23.274 1.00 1.00 C ATOM 538 CG LYS A 34 12.384 -9.553 23.513 1.00 1.00 C ATOM 539 CD LYS A 34 12.287 -8.764 24.821 1.00 1.00 C ATOM 540 CE LYS A 34 13.571 -8.902 25.641 1.00 1.00 C ATOM 541 NZ LYS A 34 14.673 -8.140 25.011 1.00 1.00 N ATOM 0 H LYS A 34 11.256 -13.062 22.656 1.00 1.00 H new ATOM 0 HA LYS A 34 11.644 -11.346 25.067 1.00 1.00 H new ATOM 0 HB2 LYS A 34 11.064 -10.674 22.227 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.237 -9.762 23.475 1.00 1.00 H new ATOM 0 HG2 LYS A 34 13.250 -10.214 23.546 1.00 1.00 H new ATOM 0 HG3 LYS A 34 12.539 -8.867 22.681 1.00 1.00 H new ATOM 0 HD2 LYS A 34 12.102 -7.712 24.603 1.00 1.00 H new ATOM 0 HD3 LYS A 34 11.439 -9.122 25.404 1.00 1.00 H new ATOM 0 HE2 LYS A 34 13.403 -8.539 26.655 1.00 1.00 H new ATOM 0 HE3 LYS A 34 13.847 -9.953 25.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 15.537 -8.244 25.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 14.844 -8.505 24.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 14.413 -7.134 24.957 1.00 1.00 H new ATOM 554 N GLY A 35 9.648 -12.938 25.574 1.00 1.00 N ATOM 555 CA GLY A 35 8.381 -13.423 26.094 1.00 1.00 C ATOM 556 C GLY A 35 7.690 -12.354 26.943 1.00 1.00 C ATOM 557 O GLY A 35 8.350 -11.611 27.668 1.00 1.00 O ATOM 0 H GLY A 35 10.473 -13.350 26.010 1.00 1.00 H new ATOM 0 HA2 GLY A 35 7.732 -13.712 25.268 1.00 1.00 H new ATOM 0 HA3 GLY A 35 8.549 -14.317 26.695 1.00 1.00 H new ATOM 561 N CYS A 36 6.372 -12.311 26.825 1.00 1.00 N ATOM 562 CA CYS A 36 5.585 -11.345 27.573 1.00 1.00 C ATOM 563 C CYS A 36 5.759 -11.635 29.065 1.00 1.00 C ATOM 564 O CYS A 36 5.340 -12.686 29.549 1.00 1.00 O ATOM 565 CB CYS A 36 4.113 -11.369 27.155 1.00 1.00 C ATOM 566 SG CYS A 36 3.231 -9.943 27.886 1.00 1.00 S ATOM 0 H CYS A 36 5.828 -12.929 26.223 1.00 1.00 H new ATOM 0 HA CYS A 36 5.940 -10.338 27.356 1.00 1.00 H new ATOM 0 HB2 CYS A 36 4.035 -11.337 26.068 1.00 1.00 H new ATOM 0 HB3 CYS A 36 3.649 -12.300 27.481 1.00 1.00 H new ATOM 571 N TRP A 37 6.378 -10.686 29.751 1.00 1.00 N ATOM 572 CA TRP A 37 6.612 -10.827 31.178 1.00 1.00 C ATOM 573 C TRP A 37 5.420 -10.215 31.916 1.00 1.00 C ATOM 574 O TRP A 37 5.488 -9.974 33.121 1.00 1.00 O ATOM 575 CB TRP A 37 7.949 -10.200 31.579 1.00 1.00 C ATOM 576 CG TRP A 37 8.812 -11.092 32.474 1.00 1.00 C ATOM 577 CD1 TRP A 37 9.327 -10.802 33.676 1.00 1.00 C ATOM 578 CD2 TRP A 37 9.241 -12.440 32.187 1.00 1.00 C ATOM 579 NE1 TRP A 37 10.054 -11.859 34.184 1.00 1.00 N ATOM 580 CE2 TRP A 37 10.000 -12.887 33.249 1.00 1.00 C ATOM 581 CE3 TRP A 37 8.996 -13.254 31.067 1.00 1.00 C ATOM 582 CZ2 TRP A 37 10.576 -14.162 33.297 1.00 1.00 C ATOM 583 CZ3 TRP A 37 9.579 -14.525 31.130 1.00 1.00 C ATOM 584 CH2 TRP A 37 10.345 -14.991 32.192 1.00 1.00 C ATOM 0 H TRP A 37 6.725 -9.817 29.345 1.00 1.00 H new ATOM 0 HA TRP A 37 6.689 -11.879 31.454 1.00 1.00 H new ATOM 0 HB2 TRP A 37 8.510 -9.957 30.676 1.00 1.00 H new ATOM 0 HB3 TRP A 37 7.757 -9.260 32.097 1.00 1.00 H new ATOM 0 HD1 TRP A 37 9.190 -9.859 34.184 1.00 1.00 H new ATOM 0 HE1 TRP A 37 10.541 -11.882 35.080 1.00 1.00 H new ATOM 0 HE3 TRP A 37 8.405 -12.925 30.225 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 11.166 -14.489 34.140 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 9.423 -15.191 30.294 1.00 1.00 H new ATOM 0 HH2 TRP A 37 10.760 -15.988 32.165 1.00 1.00 H new ATOM 595 N LYS A 38 4.356 -9.981 31.163 1.00 1.00 N ATOM 596 CA LYS A 38 3.150 -9.401 31.731 1.00 1.00 C ATOM 597 C LYS A 38 2.097 -10.497 31.908 1.00 1.00 C ATOM 598 O LYS A 38 1.432 -10.562 32.941 1.00 1.00 O ATOM 599 CB LYS A 38 2.672 -8.221 30.883 1.00 1.00 C ATOM 600 CG LYS A 38 1.693 -7.344 31.666 1.00 1.00 C ATOM 601 CD LYS A 38 1.436 -6.023 30.937 1.00 1.00 C ATOM 602 CE LYS A 38 2.409 -4.940 31.405 1.00 1.00 C ATOM 603 NZ LYS A 38 3.570 -4.856 30.492 1.00 1.00 N ATOM 0 H LYS A 38 4.303 -10.182 30.164 1.00 1.00 H new ATOM 0 HA LYS A 38 3.354 -8.991 32.720 1.00 1.00 H new ATOM 0 HB2 LYS A 38 3.528 -7.625 30.568 1.00 1.00 H new ATOM 0 HB3 LYS A 38 2.191 -8.591 29.978 1.00 1.00 H new ATOM 0 HG2 LYS A 38 0.752 -7.877 31.803 1.00 1.00 H new ATOM 0 HG3 LYS A 38 2.094 -7.143 32.660 1.00 1.00 H new ATOM 0 HD2 LYS A 38 1.540 -6.171 29.862 1.00 1.00 H new ATOM 0 HD3 LYS A 38 0.411 -5.698 31.116 1.00 1.00 H new ATOM 0 HE2 LYS A 38 1.899 -3.977 31.444 1.00 1.00 H new ATOM 0 HE3 LYS A 38 2.750 -5.161 32.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 4.449 -4.966 31.037 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 3.507 -5.612 29.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 3.571 -3.931 30.016 1.00 1.00 H new ATOM 616 N CYS A 39 1.979 -11.330 30.885 1.00 1.00 N ATOM 617 CA CYS A 39 1.018 -12.420 30.915 1.00 1.00 C ATOM 618 C CYS A 39 1.786 -13.733 31.074 1.00 1.00 C ATOM 619 O CYS A 39 1.254 -14.708 31.604 1.00 1.00 O ATOM 620 CB CYS A 39 0.129 -12.425 29.669 1.00 1.00 C ATOM 621 SG CYS A 39 1.165 -12.370 28.162 1.00 1.00 S ATOM 0 H CYS A 39 2.533 -11.273 30.030 1.00 1.00 H new ATOM 0 HA CYS A 39 0.343 -12.290 31.761 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -0.494 -13.320 29.660 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -0.544 -11.568 29.689 1.00 1.00 H new ATOM 626 N GLY A 40 3.025 -13.718 30.604 1.00 1.00 N ATOM 627 CA GLY A 40 3.871 -14.896 30.687 1.00 1.00 C ATOM 628 C GLY A 40 3.804 -15.712 29.394 1.00 1.00 C ATOM 629 O GLY A 40 4.180 -16.883 29.375 1.00 1.00 O ATOM 0 H GLY A 40 3.463 -12.908 30.164 1.00 1.00 H new ATOM 0 HA2 GLY A 40 4.901 -14.595 30.879 1.00 1.00 H new ATOM 0 HA3 GLY A 40 3.558 -15.514 31.528 1.00 1.00 H new ATOM 633 N LYS A 41 3.322 -15.061 28.346 1.00 1.00 N ATOM 634 CA LYS A 41 3.201 -15.711 27.052 1.00 1.00 C ATOM 635 C LYS A 41 4.470 -15.456 26.236 1.00 1.00 C ATOM 636 O LYS A 41 4.738 -14.324 25.836 1.00 1.00 O ATOM 637 CB LYS A 41 1.917 -15.267 26.347 1.00 1.00 C ATOM 638 CG LYS A 41 1.148 -16.471 25.799 1.00 1.00 C ATOM 639 CD LYS A 41 -0.089 -16.765 26.651 1.00 1.00 C ATOM 640 CE LYS A 41 -1.288 -15.940 26.181 1.00 1.00 C ATOM 641 NZ LYS A 41 -2.371 -16.827 25.699 1.00 1.00 N ATOM 0 H LYS A 41 3.011 -14.090 28.366 1.00 1.00 H new ATOM 0 HA LYS A 41 3.113 -16.790 27.175 1.00 1.00 H new ATOM 0 HB2 LYS A 41 1.287 -14.715 27.045 1.00 1.00 H new ATOM 0 HB3 LYS A 41 2.162 -14.586 25.532 1.00 1.00 H new ATOM 0 HG2 LYS A 41 0.847 -16.277 24.769 1.00 1.00 H new ATOM 0 HG3 LYS A 41 1.798 -17.345 25.782 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -0.329 -17.827 26.595 1.00 1.00 H new ATOM 0 HD3 LYS A 41 0.124 -16.541 27.696 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -1.654 -15.321 27.000 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -0.981 -15.264 25.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -3.177 -16.251 25.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -2.023 -17.400 24.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -2.675 -17.455 26.471 1.00 1.00 H new ATOM 654 N GLU A 42 5.218 -16.527 26.014 1.00 1.00 N ATOM 655 CA GLU A 42 6.452 -16.433 25.254 1.00 1.00 C ATOM 656 C GLU A 42 6.147 -16.333 23.758 1.00 1.00 C ATOM 657 O GLU A 42 6.035 -17.350 23.074 1.00 1.00 O ATOM 658 CB GLU A 42 7.369 -17.622 25.549 1.00 1.00 C ATOM 659 CG GLU A 42 6.665 -18.946 25.245 1.00 1.00 C ATOM 660 CD GLU A 42 7.541 -19.845 24.370 1.00 1.00 C ATOM 661 OE1 GLU A 42 8.459 -20.504 24.881 1.00 1.00 O ATOM 662 OE2 GLU A 42 7.240 -19.845 23.116 1.00 1.00 O ATOM 0 H GLU A 42 4.993 -17.464 26.347 1.00 1.00 H new ATOM 0 HA GLU A 42 6.977 -15.528 25.559 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.277 -17.543 24.951 1.00 1.00 H new ATOM 0 HB3 GLU A 42 7.674 -17.600 26.595 1.00 1.00 H new ATOM 0 HG2 GLU A 42 6.429 -19.459 26.177 1.00 1.00 H new ATOM 0 HG3 GLU A 42 5.719 -18.751 24.740 1.00 1.00 H new ATOM 670 N GLY A 43 6.023 -15.099 23.293 1.00 1.00 N ATOM 671 CA GLY A 43 5.733 -14.853 21.890 1.00 1.00 C ATOM 672 C GLY A 43 5.590 -13.355 21.614 1.00 1.00 C ATOM 673 O GLY A 43 6.363 -12.785 20.847 1.00 1.00 O ATOM 0 H GLY A 43 6.118 -14.258 23.863 1.00 1.00 H new ATOM 0 HA2 GLY A 43 6.531 -15.266 21.272 1.00 1.00 H new ATOM 0 HA3 GLY A 43 4.814 -15.367 21.609 1.00 1.00 H new ATOM 677 N HIS A 44 4.594 -12.761 22.255 1.00 1.00 N ATOM 678 CA HIS A 44 4.339 -11.340 22.088 1.00 1.00 C ATOM 679 C HIS A 44 5.141 -10.550 23.125 1.00 1.00 C ATOM 680 O HIS A 44 5.592 -11.108 24.123 1.00 1.00 O ATOM 681 CB HIS A 44 2.839 -11.047 22.150 1.00 1.00 C ATOM 682 CG HIS A 44 2.226 -11.261 23.513 1.00 1.00 C ATOM 683 ND1 HIS A 44 1.511 -12.399 23.843 1.00 1.00 N ATOM 684 CD2 HIS A 44 2.230 -10.473 24.626 1.00 1.00 C ATOM 685 CE1 HIS A 44 1.106 -12.290 25.099 1.00 1.00 C ATOM 686 NE2 HIS A 44 1.553 -11.095 25.583 1.00 1.00 N ATOM 0 H HIS A 44 3.954 -13.238 22.891 1.00 1.00 H new ATOM 0 HA HIS A 44 4.672 -11.020 21.101 1.00 1.00 H new ATOM 0 HB2 HIS A 44 2.668 -10.015 21.844 1.00 1.00 H new ATOM 0 HB3 HIS A 44 2.325 -11.682 21.428 1.00 1.00 H new ATOM 0 HD1 HIS A 44 1.327 -13.188 23.224 1.00 1.00 H new ATOM 0 HD2 HIS A 44 2.704 -9.506 24.714 1.00 1.00 H new ATOM 0 HE1 HIS A 44 0.524 -13.019 25.644 1.00 1.00 H new ATOM 694 N GLN A 45 5.293 -9.262 22.852 1.00 1.00 N ATOM 695 CA GLN A 45 6.032 -8.389 23.748 1.00 1.00 C ATOM 696 C GLN A 45 5.067 -7.584 24.620 1.00 1.00 C ATOM 697 O GLN A 45 3.854 -7.639 24.424 1.00 1.00 O ATOM 698 CB GLN A 45 6.966 -7.464 22.965 1.00 1.00 C ATOM 699 CG GLN A 45 7.819 -8.258 21.973 1.00 1.00 C ATOM 700 CD GLN A 45 8.757 -7.333 21.194 1.00 1.00 C ATOM 701 OE1 GLN A 45 9.964 -7.342 21.368 1.00 1.00 O ATOM 702 NE2 GLN A 45 8.135 -6.538 20.328 1.00 1.00 N ATOM 0 H GLN A 45 4.917 -8.802 22.023 1.00 1.00 H new ATOM 0 HA GLN A 45 6.649 -9.007 24.400 1.00 1.00 H new ATOM 0 HB2 GLN A 45 6.379 -6.717 22.430 1.00 1.00 H new ATOM 0 HB3 GLN A 45 7.613 -6.925 23.657 1.00 1.00 H new ATOM 0 HG2 GLN A 45 8.403 -9.007 22.508 1.00 1.00 H new ATOM 0 HG3 GLN A 45 7.172 -8.794 21.279 1.00 1.00 H new ATOM 0 HE21 GLN A 45 7.120 -6.582 20.233 1.00 1.00 H new ATOM 0 HE22 GLN A 45 8.673 -5.884 19.759 1.00 1.00 H new ATOM 711 N MET A 46 5.642 -6.855 25.565 1.00 1.00 N ATOM 712 CA MET A 46 4.848 -6.039 26.468 1.00 1.00 C ATOM 713 C MET A 46 4.018 -5.013 25.693 1.00 1.00 C ATOM 714 O MET A 46 2.854 -4.780 26.016 1.00 1.00 O ATOM 715 CB MET A 46 5.772 -5.313 27.447 1.00 1.00 C ATOM 716 CG MET A 46 6.348 -6.285 28.480 1.00 1.00 C ATOM 717 SD MET A 46 8.011 -5.801 28.912 1.00 1.00 S ATOM 718 CE MET A 46 8.835 -6.098 27.357 1.00 1.00 C ATOM 0 H MET A 46 6.648 -6.812 25.725 1.00 1.00 H new ATOM 0 HA MET A 46 4.167 -6.692 27.014 1.00 1.00 H new ATOM 0 HB2 MET A 46 6.584 -4.835 26.900 1.00 1.00 H new ATOM 0 HB3 MET A 46 5.220 -4.522 27.955 1.00 1.00 H new ATOM 0 HG2 MET A 46 5.720 -6.296 29.371 1.00 1.00 H new ATOM 0 HG3 MET A 46 6.348 -7.298 28.078 1.00 1.00 H new ATOM 0 HE1 MET A 46 9.891 -6.300 27.537 1.00 1.00 H new ATOM 0 HE2 MET A 46 8.381 -6.957 26.863 1.00 1.00 H new ATOM 0 HE3 MET A 46 8.737 -5.219 26.720 1.00 1.00 H new ATOM 728 N LYS A 47 4.649 -4.427 24.687 1.00 1.00 N ATOM 729 CA LYS A 47 3.984 -3.431 23.864 1.00 1.00 C ATOM 730 C LYS A 47 2.867 -4.102 23.062 1.00 1.00 C ATOM 731 O LYS A 47 1.961 -3.431 22.570 1.00 1.00 O ATOM 732 CB LYS A 47 5.001 -2.686 22.997 1.00 1.00 C ATOM 733 CG LYS A 47 4.357 -1.481 22.309 1.00 1.00 C ATOM 734 CD LYS A 47 3.844 -1.854 20.917 1.00 1.00 C ATOM 735 CE LYS A 47 4.908 -1.586 19.851 1.00 1.00 C ATOM 736 NZ LYS A 47 5.932 -2.655 19.861 1.00 1.00 N ATOM 0 H LYS A 47 5.615 -4.623 24.423 1.00 1.00 H new ATOM 0 HA LYS A 47 3.516 -2.671 24.490 1.00 1.00 H new ATOM 0 HB2 LYS A 47 5.836 -2.354 23.614 1.00 1.00 H new ATOM 0 HB3 LYS A 47 5.409 -3.363 22.246 1.00 1.00 H new ATOM 0 HG2 LYS A 47 3.532 -1.109 22.917 1.00 1.00 H new ATOM 0 HG3 LYS A 47 5.084 -0.673 22.228 1.00 1.00 H new ATOM 0 HD2 LYS A 47 3.563 -2.907 20.899 1.00 1.00 H new ATOM 0 HD3 LYS A 47 2.945 -1.281 20.691 1.00 1.00 H new ATOM 0 HE2 LYS A 47 4.441 -1.531 18.868 1.00 1.00 H new ATOM 0 HE3 LYS A 47 5.380 -0.621 20.034 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 6.472 -2.626 18.973 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 6.577 -2.510 20.664 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 5.467 -3.581 19.953 1.00 1.00 H new ATOM 749 N ASP A 48 2.969 -5.419 22.954 1.00 1.00 N ATOM 750 CA ASP A 48 1.979 -6.188 22.220 1.00 1.00 C ATOM 751 C ASP A 48 1.242 -7.117 23.187 1.00 1.00 C ATOM 752 O ASP A 48 0.624 -8.094 22.765 1.00 1.00 O ATOM 753 CB ASP A 48 2.639 -7.054 21.145 1.00 1.00 C ATOM 754 CG ASP A 48 2.418 -6.579 19.707 1.00 1.00 C ATOM 755 OD1 ASP A 48 3.152 -5.720 19.198 1.00 1.00 O ATOM 756 OD2 ASP A 48 1.430 -7.138 19.094 1.00 1.00 O ATOM 0 H ASP A 48 3.722 -5.972 23.363 1.00 1.00 H new ATOM 0 HA ASP A 48 1.292 -5.487 21.747 1.00 1.00 H new ATOM 0 HB2 ASP A 48 3.711 -7.093 21.338 1.00 1.00 H new ATOM 0 HB3 ASP A 48 2.261 -8.072 21.238 1.00 1.00 H new ATOM 762 N CYS A 49 1.331 -6.780 24.465 1.00 1.00 N ATOM 763 CA CYS A 49 0.680 -7.571 25.495 1.00 1.00 C ATOM 764 C CYS A 49 -0.834 -7.467 25.297 1.00 1.00 C ATOM 765 O CYS A 49 -1.430 -6.428 25.577 1.00 1.00 O ATOM 766 CB CYS A 49 1.103 -7.132 26.898 1.00 1.00 C ATOM 767 SG CYS A 49 0.265 -8.163 28.156 1.00 1.00 S ATOM 0 H CYS A 49 1.844 -5.969 24.811 1.00 1.00 H new ATOM 0 HA CYS A 49 0.987 -8.613 25.404 1.00 1.00 H new ATOM 0 HB2 CYS A 49 2.184 -7.220 27.005 1.00 1.00 H new ATOM 0 HB3 CYS A 49 0.852 -6.082 27.051 1.00 1.00 H new ATOM 772 N THR A 50 -1.412 -8.557 24.815 1.00 1.00 N ATOM 773 CA THR A 50 -2.845 -8.601 24.576 1.00 1.00 C ATOM 774 C THR A 50 -3.608 -8.577 25.903 1.00 1.00 C ATOM 775 O THR A 50 -4.832 -8.464 25.916 1.00 1.00 O ATOM 776 CB THR A 50 -3.145 -9.837 23.726 1.00 1.00 C ATOM 777 OG1 THR A 50 -4.530 -9.717 23.415 1.00 1.00 O ATOM 778 CG2 THR A 50 -3.053 -11.136 24.528 1.00 1.00 C ATOM 0 H THR A 50 -0.914 -9.417 24.583 1.00 1.00 H new ATOM 0 HA THR A 50 -3.181 -7.721 24.027 1.00 1.00 H new ATOM 0 HB THR A 50 -2.449 -9.879 22.888 1.00 1.00 H new ATOM 0 HG1 THR A 50 -5.005 -9.333 24.181 1.00 1.00 H new ATOM 0 HG21 THR A 50 -3.275 -11.982 23.877 1.00 1.00 H new ATOM 0 HG22 THR A 50 -2.046 -11.243 24.932 1.00 1.00 H new ATOM 0 HG23 THR A 50 -3.772 -11.110 25.347 1.00 1.00 H new ATOM 786 N GLU A 51 -2.852 -8.684 26.985 1.00 1.00 N ATOM 787 CA GLU A 51 -3.441 -8.676 28.313 1.00 1.00 C ATOM 788 C GLU A 51 -3.804 -7.248 28.724 1.00 1.00 C ATOM 789 O GLU A 51 -4.957 -6.965 29.045 1.00 1.00 O ATOM 790 CB GLU A 51 -2.500 -9.318 29.335 1.00 1.00 C ATOM 791 CG GLU A 51 -3.263 -10.262 30.266 1.00 1.00 C ATOM 792 CD GLU A 51 -4.302 -9.498 31.090 1.00 1.00 C ATOM 793 OE1 GLU A 51 -4.112 -8.307 31.376 1.00 1.00 O ATOM 794 OE2 GLU A 51 -5.338 -10.186 31.434 1.00 1.00 O ATOM 0 H GLU A 51 -1.836 -8.777 26.969 1.00 1.00 H new ATOM 0 HA GLU A 51 -4.355 -9.270 28.287 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.715 -9.869 28.816 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.010 -8.541 29.921 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -3.757 -11.037 29.679 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.563 -10.765 30.933 1.00 1.00 H new ATOM 802 N ARG A 52 -2.799 -6.385 28.700 1.00 1.00 N ATOM 803 CA ARG A 52 -2.998 -4.993 29.066 1.00 1.00 C ATOM 804 C ARG A 52 -4.279 -4.454 28.426 1.00 1.00 C ATOM 805 O ARG A 52 -5.118 -3.867 29.107 1.00 1.00 O ATOM 806 CB ARG A 52 -1.813 -4.132 28.623 1.00 1.00 C ATOM 807 CG ARG A 52 -1.840 -2.767 29.312 1.00 1.00 C ATOM 808 CD ARG A 52 -2.340 -1.680 28.358 1.00 1.00 C ATOM 809 NE ARG A 52 -1.661 -0.398 28.650 1.00 1.00 N ATOM 810 CZ ARG A 52 -1.722 0.689 27.853 1.00 1.00 C ATOM 811 NH1 ARG A 52 -2.432 0.659 26.705 1.00 1.00 N ATOM 812 NH2 ARG A 52 -1.076 1.783 28.212 1.00 1.00 N ATOM 0 H ARG A 52 -1.844 -6.623 28.433 1.00 1.00 H new ATOM 0 HA ARG A 52 -3.082 -4.944 30.152 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -0.879 -4.643 28.858 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -1.840 -3.998 27.542 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -2.486 -2.811 30.189 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -0.840 -2.514 29.665 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -2.150 -1.975 27.326 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -3.419 -1.562 28.462 1.00 1.00 H new ATOM 0 HE ARG A 52 -1.113 -0.332 29.507 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -2.928 -0.190 26.434 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -2.473 1.486 26.109 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -0.541 1.798 29.080 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -1.112 2.614 27.621 1.00 1.00 H new ATOM 825 N GLN A 53 -4.389 -4.673 27.124 1.00 1.00 N ATOM 826 CA GLN A 53 -5.553 -4.216 26.384 1.00 1.00 C ATOM 827 C GLN A 53 -6.759 -5.107 26.690 1.00 1.00 C ATOM 828 O GLN A 53 -7.900 -4.648 26.653 1.00 1.00 O ATOM 829 CB GLN A 53 -5.268 -4.178 24.881 1.00 1.00 C ATOM 830 CG GLN A 53 -4.727 -5.522 24.391 1.00 1.00 C ATOM 831 CD GLN A 53 -5.621 -6.108 23.297 1.00 1.00 C ATOM 832 OE1 GLN A 53 -6.256 -7.136 23.462 1.00 1.00 O ATOM 833 NE2 GLN A 53 -5.636 -5.397 22.173 1.00 1.00 N ATOM 0 H GLN A 53 -3.691 -5.161 26.562 1.00 1.00 H new ATOM 0 HA GLN A 53 -5.785 -3.200 26.702 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -6.182 -3.931 24.340 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -4.546 -3.391 24.664 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -3.715 -5.392 24.008 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -4.665 -6.219 25.227 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -5.080 -4.545 22.101 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -6.203 -5.704 21.383 1.00 1.00 H new ATOM 842 N ALA A 54 -6.466 -6.365 26.986 1.00 1.00 N ATOM 843 CA ALA A 54 -7.512 -7.323 27.299 1.00 1.00 C ATOM 844 C ALA A 54 -8.555 -7.317 26.179 1.00 1.00 C ATOM 845 O ALA A 54 -9.685 -6.876 26.380 1.00 1.00 O ATOM 846 CB ALA A 54 -8.120 -6.990 28.663 1.00 1.00 C ATOM 0 H ALA A 54 -5.519 -6.743 27.016 1.00 1.00 H new ATOM 0 HA ALA A 54 -7.102 -8.331 27.363 1.00 1.00 H new ATOM 0 HB1 ALA A 54 -8.905 -7.709 28.897 1.00 1.00 H new ATOM 0 HB2 ALA A 54 -7.345 -7.037 29.428 1.00 1.00 H new ATOM 0 HB3 ALA A 54 -8.544 -5.986 28.637 1.00 1.00 H new ATOM 852 N ASN A 55 -8.137 -7.812 25.023 1.00 1.00 N ATOM 853 CA ASN A 55 -9.021 -7.870 23.871 1.00 1.00 C ATOM 854 C ASN A 55 -9.830 -6.574 23.789 1.00 1.00 C ATOM 855 O ASN A 55 -9.353 -5.513 24.191 1.00 1.00 O ATOM 856 CB ASN A 55 -10.005 -9.035 23.989 1.00 1.00 C ATOM 857 CG ASN A 55 -11.032 -8.776 25.092 1.00 1.00 C ATOM 858 OD1 ASN A 55 -10.877 -9.188 26.230 1.00 1.00 O ATOM 859 ND2 ASN A 55 -12.087 -8.071 24.695 1.00 1.00 N ATOM 0 H ASN A 55 -7.198 -8.176 24.859 1.00 1.00 H new ATOM 0 HA ASN A 55 -8.406 -8.007 22.981 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -10.517 -9.181 23.038 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -9.461 -9.955 24.203 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -12.828 -7.845 25.358 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -12.155 -7.756 23.727 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 8.205 -9.521 12.688 1.00 1.00 ZN HETATM 868 ZN ZN A 57 0.971 -10.188 27.317 1.00 1.00 ZN