USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -99:sc= 0.0461 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 132:sc= 1.38 (180deg=-0.0555) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 13 LYS NZ :NH3+ -123:sc= -0.0527 (180deg=-0.492) USER MOD Single : A 15 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.028) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.202 X(o=0.2,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.0138 (180deg=-0.21) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -3.51! (180deg=-4.18!) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.978 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.0533 K(o=0.053,f=-0.81) USER MOD Single : A 33 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.7!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 145:sc= 0.0183 USER MOD Single : A 56 GLN : amide:sc= -0.84 K(o=-0.84,f=-3.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -0.088 (180deg=-0.516) USER MOD Single : A 64 ASN :FLIP amide:sc= -2.85! C(o=-4.1!,f=-2.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.328 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 1 2.094 0.000 -1.242 1.00 0.00 C ATOM 3 C LEU A 1 1.533 -1.022 -2.226 1.00 0.00 C ATOM 4 O LEU A 1 0.957 -2.035 -1.827 1.00 0.00 O ATOM 5 CB LEU A 1 3.566 -0.303 -0.957 1.00 0.00 C ATOM 6 CG LEU A 1 4.532 -0.094 -2.124 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.406 1.318 -2.674 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.963 -0.373 -1.688 1.00 0.00 C ATOM 0 H1 LEU A 1 0.646 0.785 -0.013 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.817 -0.901 0.093 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.974 0.116 0.806 1.00 0.00 H new ATOM 0 HA LEU A 1 2.015 0.991 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.891 0.323 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.646 -1.339 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 1 4.272 -0.795 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.101 1.449 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.387 1.482 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.640 2.037 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.637 -0.219 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.235 0.304 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.044 -1.404 -1.342 1.00 0.00 H new ATOM 20 N THR A 2 1.708 -0.751 -3.516 1.00 0.00 N ATOM 21 CA THR A 2 1.222 -1.647 -4.558 1.00 0.00 C ATOM 22 C THR A 2 2.374 -2.376 -5.239 1.00 0.00 C ATOM 23 O THR A 2 3.364 -1.760 -5.635 1.00 0.00 O ATOM 24 CB THR A 2 0.412 -0.883 -5.623 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.671 -0.181 -5.004 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.131 -1.836 -6.677 1.00 0.00 C ATOM 0 H THR A 2 2.183 0.082 -3.864 1.00 0.00 H new ATOM 0 HA THR A 2 0.573 -2.375 -4.071 1.00 0.00 H new ATOM 0 HB THR A 2 1.076 -0.169 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.180 0.303 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.699 -1.274 -7.418 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.698 -2.347 -7.167 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.781 -2.571 -6.203 1.00 0.00 H new ATOM 34 N CYS A 3 2.240 -3.691 -5.372 1.00 0.00 N ATOM 35 CA CYS A 3 3.270 -4.505 -6.006 1.00 0.00 C ATOM 36 C CYS A 3 2.646 -5.589 -6.880 1.00 0.00 C ATOM 37 O CYS A 3 1.550 -6.075 -6.598 1.00 0.00 O ATOM 38 CB CYS A 3 4.168 -5.145 -4.945 1.00 0.00 C ATOM 39 SG CYS A 3 3.294 -5.618 -3.418 1.00 0.00 S ATOM 0 H CYS A 3 1.427 -4.216 -5.049 1.00 0.00 H new ATOM 0 HA CYS A 3 3.873 -3.854 -6.640 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.640 -6.031 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.967 -4.448 -4.692 1.00 0.00 H new ATOM 44 N LEU A 4 3.351 -5.963 -7.943 1.00 0.00 N ATOM 45 CA LEU A 4 2.867 -6.989 -8.859 1.00 0.00 C ATOM 46 C LEU A 4 3.268 -8.381 -8.380 1.00 0.00 C ATOM 47 O LEU A 4 4.435 -8.632 -8.080 1.00 0.00 O ATOM 48 CB LEU A 4 3.415 -6.745 -10.266 1.00 0.00 C ATOM 49 CG LEU A 4 3.258 -5.324 -10.810 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.918 -4.739 -10.394 1.00 0.00 C ATOM 51 CD2 LEU A 4 4.400 -4.440 -10.331 1.00 0.00 C ATOM 0 H LEU A 4 4.259 -5.571 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 4 1.779 -6.933 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.475 -6.999 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.919 -7.432 -10.952 1.00 0.00 H new ATOM 0 HG LEU A 4 3.291 -5.366 -11.899 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.824 -3.728 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.112 -5.359 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.856 -4.710 -9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.272 -3.433 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.400 -4.404 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.348 -4.849 -10.680 1.00 0.00 H new ATOM 63 N ILE A 5 2.293 -9.281 -8.312 1.00 0.00 N ATOM 64 CA ILE A 5 2.546 -10.648 -7.872 1.00 0.00 C ATOM 65 C ILE A 5 1.838 -11.655 -8.773 1.00 0.00 C ATOM 66 O ILE A 5 0.756 -11.384 -9.295 1.00 0.00 O ATOM 67 CB ILE A 5 2.087 -10.865 -6.418 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.648 -11.384 -6.387 1.00 0.00 C ATOM 69 CG2 ILE A 5 2.207 -9.572 -5.626 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.363 -10.393 -6.919 1.00 0.00 C ATOM 0 H ILE A 5 1.321 -9.089 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 5 3.623 -10.805 -7.932 1.00 0.00 H new ATOM 0 HB ILE A 5 2.733 -11.612 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.588 -12.301 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.386 -11.643 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.879 -9.742 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.246 -9.241 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.583 -8.805 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.361 -10.828 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.332 -9.484 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.126 -10.152 -7.955 1.00 0.00 H new ATOM 82 N CYS A 6 2.456 -12.818 -8.950 1.00 0.00 N ATOM 83 CA CYS A 6 1.886 -13.867 -9.786 1.00 0.00 C ATOM 84 C CYS A 6 2.885 -15.002 -9.992 1.00 0.00 C ATOM 85 O CYS A 6 3.872 -14.870 -10.716 1.00 0.00 O ATOM 86 CB CYS A 6 1.461 -13.295 -11.140 1.00 0.00 C ATOM 87 SG CYS A 6 1.060 -14.559 -12.389 1.00 0.00 S ATOM 0 H CYS A 6 3.352 -13.057 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 6 1.009 -14.266 -9.276 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.591 -12.654 -10.995 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.262 -12.663 -11.523 1.00 0.00 H new ATOM 92 N PRO A 7 2.625 -16.145 -9.340 1.00 0.00 N ATOM 93 CA PRO A 7 3.489 -17.325 -9.436 1.00 0.00 C ATOM 94 C PRO A 7 3.425 -17.981 -10.811 1.00 0.00 C ATOM 95 O PRO A 7 2.761 -19.001 -10.991 1.00 0.00 O ATOM 96 CB PRO A 7 2.924 -18.266 -8.368 1.00 0.00 C ATOM 97 CG PRO A 7 1.500 -17.857 -8.218 1.00 0.00 C ATOM 98 CD PRO A 7 1.467 -16.373 -8.459 1.00 0.00 C ATOM 0 HA PRO A 7 4.540 -17.073 -9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.006 -19.309 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.465 -18.168 -7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.866 -18.382 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.127 -18.099 -7.223 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.535 -16.063 -8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.554 -15.813 -7.528 1.00 0.00 H new ATOM 106 N GLU A 8 4.119 -17.388 -11.777 1.00 0.00 N ATOM 107 CA GLU A 8 4.139 -17.915 -13.136 1.00 0.00 C ATOM 108 C GLU A 8 5.267 -17.285 -13.948 1.00 0.00 C ATOM 109 O GLU A 8 5.716 -16.177 -13.653 1.00 0.00 O ATOM 110 CB GLU A 8 2.796 -17.662 -13.826 1.00 0.00 C ATOM 111 CG GLU A 8 1.935 -18.906 -13.956 1.00 0.00 C ATOM 112 CD GLU A 8 1.177 -18.956 -15.269 1.00 0.00 C ATOM 113 OE1 GLU A 8 0.142 -18.268 -15.384 1.00 0.00 O ATOM 114 OE2 GLU A 8 1.621 -19.684 -16.182 1.00 0.00 O ATOM 0 H GLU A 8 4.674 -16.543 -11.644 1.00 0.00 H new ATOM 0 HA GLU A 8 4.313 -18.990 -13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.246 -16.906 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.979 -17.252 -14.819 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.566 -19.791 -13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.225 -18.940 -13.129 1.00 0.00 H new ATOM 121 N LYS A 9 5.721 -17.999 -14.973 1.00 0.00 N ATOM 122 CA LYS A 9 6.796 -17.511 -15.829 1.00 0.00 C ATOM 123 C LYS A 9 6.487 -16.109 -16.344 1.00 0.00 C ATOM 124 O LYS A 9 7.138 -15.138 -15.956 1.00 0.00 O ATOM 125 CB LYS A 9 7.008 -18.464 -17.008 1.00 0.00 C ATOM 126 CG LYS A 9 6.973 -19.931 -16.618 1.00 0.00 C ATOM 127 CD LYS A 9 7.845 -20.207 -15.405 1.00 0.00 C ATOM 128 CE LYS A 9 7.711 -21.649 -14.938 1.00 0.00 C ATOM 129 NZ LYS A 9 6.584 -21.819 -13.980 1.00 0.00 N ATOM 0 H LYS A 9 5.361 -18.918 -15.231 1.00 0.00 H new ATOM 0 HA LYS A 9 7.709 -17.468 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.239 -18.278 -17.758 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.968 -18.244 -17.474 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.946 -20.227 -16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.312 -20.539 -17.457 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.887 -19.998 -15.649 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.566 -19.534 -14.594 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.555 -22.297 -15.800 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.641 -21.965 -14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.007 -22.636 -14.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.962 -21.978 -13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.995 -20.962 -13.982 1.00 0.00 H new ATOM 143 N ASP A 10 5.492 -16.010 -17.217 1.00 0.00 N ATOM 144 CA ASP A 10 5.095 -14.726 -17.784 1.00 0.00 C ATOM 145 C ASP A 10 3.712 -14.316 -17.287 1.00 0.00 C ATOM 146 O ASP A 10 2.695 -14.698 -17.866 1.00 0.00 O ATOM 147 CB ASP A 10 5.103 -14.794 -19.311 1.00 0.00 C ATOM 148 CG ASP A 10 4.245 -15.925 -19.845 1.00 0.00 C ATOM 149 OD1 ASP A 10 4.644 -17.098 -19.686 1.00 0.00 O ATOM 150 OD2 ASP A 10 3.175 -15.637 -20.421 1.00 0.00 O ATOM 0 H ASP A 10 4.944 -16.804 -17.548 1.00 0.00 H new ATOM 0 HA ASP A 10 5.815 -13.975 -17.458 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.744 -13.848 -19.716 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.127 -14.923 -19.661 1.00 0.00 H new ATOM 155 N CYS A 11 3.682 -13.538 -16.210 1.00 0.00 N ATOM 156 CA CYS A 11 2.425 -13.077 -15.634 1.00 0.00 C ATOM 157 C CYS A 11 2.675 -12.225 -14.393 1.00 0.00 C ATOM 158 O CYS A 11 3.533 -12.545 -13.571 1.00 0.00 O ATOM 159 CB CYS A 11 1.537 -14.271 -15.275 1.00 0.00 C ATOM 160 SG CYS A 11 0.252 -13.896 -14.039 1.00 0.00 S ATOM 0 H CYS A 11 4.515 -13.214 -15.718 1.00 0.00 H new ATOM 0 HA CYS A 11 1.916 -12.464 -16.378 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.057 -14.639 -16.182 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.166 -15.077 -14.897 1.00 0.00 H new ATOM 165 N GLN A 12 1.920 -11.138 -14.266 1.00 0.00 N ATOM 166 CA GLN A 12 2.060 -10.240 -13.127 1.00 0.00 C ATOM 167 C GLN A 12 0.758 -9.493 -12.859 1.00 0.00 C ATOM 168 O GLN A 12 0.260 -8.764 -13.718 1.00 0.00 O ATOM 169 CB GLN A 12 3.193 -9.242 -13.374 1.00 0.00 C ATOM 170 CG GLN A 12 2.997 -8.395 -14.621 1.00 0.00 C ATOM 171 CD GLN A 12 4.277 -7.723 -15.077 1.00 0.00 C ATOM 172 OE1 GLN A 12 5.101 -7.310 -14.259 1.00 0.00 O ATOM 173 NE2 GLN A 12 4.451 -7.608 -16.388 1.00 0.00 N ATOM 0 H GLN A 12 1.205 -10.859 -14.938 1.00 0.00 H new ATOM 0 HA GLN A 12 2.299 -10.841 -12.250 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.282 -8.585 -12.509 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.133 -9.786 -13.459 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.614 -9.023 -15.426 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.242 -7.634 -14.424 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.743 -7.964 -17.030 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.293 -7.163 -16.754 1.00 0.00 H new ATOM 182 N LYS A 13 0.211 -9.678 -11.663 1.00 0.00 N ATOM 183 CA LYS A 13 -1.033 -9.021 -11.280 1.00 0.00 C ATOM 184 C LYS A 13 -0.800 -8.035 -10.139 1.00 0.00 C ATOM 185 O LYS A 13 -0.173 -8.371 -9.134 1.00 0.00 O ATOM 186 CB LYS A 13 -2.076 -10.061 -10.864 1.00 0.00 C ATOM 187 CG LYS A 13 -3.479 -9.745 -11.354 1.00 0.00 C ATOM 188 CD LYS A 13 -4.457 -10.852 -10.996 1.00 0.00 C ATOM 189 CE LYS A 13 -5.897 -10.371 -11.079 1.00 0.00 C ATOM 190 NZ LYS A 13 -6.193 -9.327 -10.059 1.00 0.00 N ATOM 0 H LYS A 13 0.610 -10.278 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.403 -8.469 -12.144 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.777 -11.037 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.088 -10.136 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.815 -8.805 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.465 -9.606 -12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.315 -11.697 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.249 -11.210 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.089 -9.971 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.571 -11.216 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.990 -9.636 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.355 -9.178 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.441 -8.436 -10.536 1.00 0.00 H new ATOM 204 N VAL A 14 -1.309 -6.818 -10.302 1.00 0.00 N ATOM 205 CA VAL A 14 -1.157 -5.784 -9.284 1.00 0.00 C ATOM 206 C VAL A 14 -1.796 -6.212 -7.968 1.00 0.00 C ATOM 207 O VAL A 14 -2.870 -6.814 -7.953 1.00 0.00 O ATOM 208 CB VAL A 14 -1.786 -4.453 -9.739 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.256 -4.052 -11.107 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.303 -4.559 -9.756 1.00 0.00 C ATOM 0 H VAL A 14 -1.830 -6.524 -11.128 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.087 -5.640 -9.135 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.507 -3.677 -9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.711 -3.110 -11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.174 -3.933 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.502 -4.826 -11.834 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.730 -3.610 -10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.605 -5.347 -10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.662 -4.796 -8.755 1.00 0.00 H new ATOM 220 N HIS A 15 -1.128 -5.896 -6.863 1.00 0.00 N ATOM 221 CA HIS A 15 -1.631 -6.246 -5.539 1.00 0.00 C ATOM 222 C HIS A 15 -1.408 -5.104 -4.553 1.00 0.00 C ATOM 223 O HIS A 15 -0.569 -4.230 -4.777 1.00 0.00 O ATOM 224 CB HIS A 15 -0.948 -7.516 -5.030 1.00 0.00 C ATOM 225 CG HIS A 15 -1.859 -8.416 -4.254 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.717 -8.646 -2.902 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.929 -9.145 -4.648 1.00 0.00 C ATOM 228 CE1 HIS A 15 -2.660 -9.478 -2.497 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.409 -9.796 -3.538 1.00 0.00 N ATOM 0 H HIS A 15 -0.238 -5.398 -6.858 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.703 -6.427 -5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.544 -8.067 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.103 -7.237 -4.400 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.331 -9.204 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.796 -9.837 -1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.213 -10.423 -3.520 1.00 0.00 H new ATOM 237 N THR A 16 -2.165 -5.115 -3.460 1.00 0.00 N ATOM 238 CA THR A 16 -2.051 -4.079 -2.441 1.00 0.00 C ATOM 239 C THR A 16 -1.657 -4.674 -1.094 1.00 0.00 C ATOM 240 O THR A 16 -2.437 -5.393 -0.469 1.00 0.00 O ATOM 241 CB THR A 16 -3.372 -3.303 -2.280 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.274 -3.644 -3.338 1.00 0.00 O ATOM 243 CG2 THR A 16 -3.121 -1.802 -2.284 1.00 0.00 C ATOM 0 H THR A 16 -2.864 -5.830 -3.258 1.00 0.00 H new ATOM 0 HA THR A 16 -1.272 -3.392 -2.773 1.00 0.00 H new ATOM 0 HB THR A 16 -3.816 -3.579 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.112 -3.147 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.068 -1.274 -2.169 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.458 -1.542 -1.459 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.657 -1.513 -3.227 1.00 0.00 H new ATOM 251 N CYS A 17 -0.442 -4.369 -0.651 1.00 0.00 N ATOM 252 CA CYS A 17 0.057 -4.873 0.623 1.00 0.00 C ATOM 253 C CYS A 17 -0.336 -3.944 1.768 1.00 0.00 C ATOM 254 O CYS A 17 0.512 -3.507 2.545 1.00 0.00 O ATOM 255 CB CYS A 17 1.578 -5.025 0.575 1.00 0.00 C ATOM 256 SG CYS A 17 2.146 -6.606 -0.131 1.00 0.00 S ATOM 0 H CYS A 17 0.216 -3.775 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.394 -5.850 0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.996 -4.207 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.974 -4.928 1.586 1.00 0.00 H new ATOM 261 N ARG A 18 -1.628 -3.647 1.864 1.00 0.00 N ATOM 262 CA ARG A 18 -2.134 -2.769 2.912 1.00 0.00 C ATOM 263 C ARG A 18 -2.094 -3.464 4.270 1.00 0.00 C ATOM 264 O ARG A 18 -2.904 -4.346 4.551 1.00 0.00 O ATOM 265 CB ARG A 18 -3.565 -2.331 2.594 1.00 0.00 C ATOM 266 CG ARG A 18 -4.521 -3.491 2.371 1.00 0.00 C ATOM 267 CD ARG A 18 -5.533 -3.177 1.280 1.00 0.00 C ATOM 268 NE ARG A 18 -6.908 -3.340 1.745 1.00 0.00 N ATOM 269 CZ ARG A 18 -7.528 -2.462 2.526 1.00 0.00 C ATOM 270 NH1 ARG A 18 -6.899 -1.366 2.927 1.00 0.00 N ATOM 271 NH2 ARG A 18 -8.780 -2.680 2.908 1.00 0.00 N ATOM 0 H ARG A 18 -2.343 -4.001 1.229 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.493 -1.889 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.938 -1.716 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.554 -1.703 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.956 -4.382 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.044 -3.716 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.387 -2.154 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.359 -3.831 0.426 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.420 -4.173 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.936 -1.195 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.378 -0.694 3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.267 -3.522 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.255 -2.005 3.508 1.00 0.00 H new ATOM 285 N ASN A 19 -1.144 -3.060 5.108 1.00 0.00 N ATOM 286 CA ASN A 19 -0.997 -3.645 6.436 1.00 0.00 C ATOM 287 C ASN A 19 0.229 -3.080 7.146 1.00 0.00 C ATOM 288 O ASN A 19 0.832 -2.111 6.687 1.00 0.00 O ATOM 289 CB ASN A 19 -0.886 -5.168 6.336 1.00 0.00 C ATOM 290 CG ASN A 19 -1.939 -5.880 7.163 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.635 -6.814 7.905 1.00 0.00 O ATOM 292 ND2 ASN A 19 -3.186 -5.440 7.038 1.00 0.00 N ATOM 0 H ASN A 19 -0.465 -2.330 4.891 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.882 -3.390 7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.983 -5.469 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.104 -5.480 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.938 -5.880 7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.392 -4.662 6.411 1.00 0.00 H new ATOM 299 N GLU A 20 0.591 -3.694 8.268 1.00 0.00 N ATOM 300 CA GLU A 20 1.746 -3.251 9.042 1.00 0.00 C ATOM 301 C GLU A 20 3.006 -3.242 8.182 1.00 0.00 C ATOM 302 O GLU A 20 3.959 -2.517 8.467 1.00 0.00 O ATOM 303 CB GLU A 20 1.951 -4.158 10.257 1.00 0.00 C ATOM 304 CG GLU A 20 2.325 -5.586 9.895 1.00 0.00 C ATOM 305 CD GLU A 20 2.834 -6.375 11.085 1.00 0.00 C ATOM 306 OE1 GLU A 20 3.814 -5.928 11.718 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.254 -7.440 11.383 1.00 0.00 O ATOM 0 H GLU A 20 0.102 -4.498 8.661 1.00 0.00 H new ATOM 0 HA GLU A 20 1.554 -2.234 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.733 -3.735 10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.036 -4.170 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.455 -6.090 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.090 -5.572 9.119 1.00 0.00 H new ATOM 314 N GLU A 21 3.002 -4.052 7.128 1.00 0.00 N ATOM 315 CA GLU A 21 4.146 -4.138 6.227 1.00 0.00 C ATOM 316 C GLU A 21 4.258 -2.881 5.370 1.00 0.00 C ATOM 317 O GLU A 21 3.523 -1.913 5.567 1.00 0.00 O ATOM 318 CB GLU A 21 4.025 -5.371 5.330 1.00 0.00 C ATOM 319 CG GLU A 21 3.652 -6.637 6.082 1.00 0.00 C ATOM 320 CD GLU A 21 2.163 -6.922 6.043 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.544 -6.695 4.982 1.00 0.00 O ATOM 322 OE2 GLU A 21 1.617 -7.372 7.072 1.00 0.00 O ATOM 0 H GLU A 21 2.220 -4.657 6.877 1.00 0.00 H new ATOM 0 HA GLU A 21 5.048 -4.226 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.274 -5.180 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.973 -5.530 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.191 -7.482 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.974 -6.547 7.120 1.00 0.00 H new ATOM 329 N LYS A 22 5.184 -2.902 4.417 1.00 0.00 N ATOM 330 CA LYS A 22 5.394 -1.766 3.527 1.00 0.00 C ATOM 331 C LYS A 22 6.001 -2.217 2.203 1.00 0.00 C ATOM 332 O LYS A 22 5.587 -1.766 1.134 1.00 0.00 O ATOM 333 CB LYS A 22 6.306 -0.733 4.193 1.00 0.00 C ATOM 334 CG LYS A 22 5.625 0.059 5.296 1.00 0.00 C ATOM 335 CD LYS A 22 6.536 1.141 5.850 1.00 0.00 C ATOM 336 CE LYS A 22 6.443 2.421 5.034 1.00 0.00 C ATOM 337 NZ LYS A 22 5.141 3.115 5.239 1.00 0.00 N ATOM 0 H LYS A 22 5.802 -3.694 4.241 1.00 0.00 H new ATOM 0 HA LYS A 22 4.425 -1.310 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.176 -1.242 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.673 -0.042 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.713 0.513 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.329 -0.615 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.268 1.349 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.566 0.784 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.258 3.089 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.568 2.188 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.217 4.099 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.398 2.627 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.897 3.104 6.250 1.00 0.00 H new ATOM 351 N ILE A 23 6.983 -3.109 2.280 1.00 0.00 N ATOM 352 CA ILE A 23 7.644 -3.623 1.087 1.00 0.00 C ATOM 353 C ILE A 23 7.114 -5.004 0.716 1.00 0.00 C ATOM 354 O ILE A 23 6.421 -5.647 1.504 1.00 0.00 O ATOM 355 CB ILE A 23 9.170 -3.705 1.280 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.515 -4.743 2.350 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.731 -2.342 1.657 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.996 -5.027 2.461 1.00 0.00 C ATOM 0 H ILE A 23 7.338 -3.491 3.157 1.00 0.00 H new ATOM 0 HA ILE A 23 7.425 -2.924 0.279 1.00 0.00 H new ATOM 0 HB ILE A 23 9.624 -4.015 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.147 -4.394 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.991 -5.672 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.810 -2.417 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.512 -1.626 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.274 -2.005 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.166 -5.772 3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.366 -5.406 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.524 -4.108 2.716 1.00 0.00 H new ATOM 370 N CYS A 24 7.447 -5.455 -0.489 1.00 0.00 N ATOM 371 CA CYS A 24 7.007 -6.760 -0.966 1.00 0.00 C ATOM 372 C CYS A 24 8.199 -7.622 -1.371 1.00 0.00 C ATOM 373 O CYS A 24 8.999 -7.234 -2.222 1.00 0.00 O ATOM 374 CB CYS A 24 6.054 -6.598 -2.152 1.00 0.00 C ATOM 375 SG CYS A 24 4.722 -5.386 -1.876 1.00 0.00 S ATOM 0 H CYS A 24 8.021 -4.935 -1.153 1.00 0.00 H new ATOM 0 HA CYS A 24 6.481 -7.258 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.629 -6.297 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.608 -7.566 -2.381 1.00 0.00 H new ATOM 380 N VAL A 25 8.312 -8.794 -0.754 1.00 0.00 N ATOM 381 CA VAL A 25 9.405 -9.712 -1.050 1.00 0.00 C ATOM 382 C VAL A 25 8.898 -10.956 -1.770 1.00 0.00 C ATOM 383 O VAL A 25 7.789 -11.427 -1.515 1.00 0.00 O ATOM 384 CB VAL A 25 10.142 -10.139 0.233 1.00 0.00 C ATOM 385 CG1 VAL A 25 11.469 -10.800 -0.108 1.00 0.00 C ATOM 386 CG2 VAL A 25 10.353 -8.943 1.149 1.00 0.00 C ATOM 0 H VAL A 25 7.659 -9.130 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 25 10.100 -9.178 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 25 9.526 -10.867 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.975 -11.095 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.289 -11.682 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.095 -10.097 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.875 -9.263 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.948 -8.190 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.387 -8.518 1.421 1.00 0.00 H new ATOM 396 N LYS A 26 9.717 -11.486 -2.672 1.00 0.00 N ATOM 397 CA LYS A 26 9.354 -12.678 -3.430 1.00 0.00 C ATOM 398 C LYS A 26 10.447 -13.738 -3.333 1.00 0.00 C ATOM 399 O LYS A 26 11.636 -13.421 -3.360 1.00 0.00 O ATOM 400 CB LYS A 26 9.105 -12.319 -4.896 1.00 0.00 C ATOM 401 CG LYS A 26 9.003 -13.528 -5.810 1.00 0.00 C ATOM 402 CD LYS A 26 7.630 -14.173 -5.730 1.00 0.00 C ATOM 403 CE LYS A 26 7.185 -14.707 -7.083 1.00 0.00 C ATOM 404 NZ LYS A 26 8.273 -15.459 -7.767 1.00 0.00 N ATOM 0 H LYS A 26 10.638 -11.109 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 26 8.438 -13.086 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.184 -11.741 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.913 -11.677 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.205 -13.226 -6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.765 -14.258 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.651 -14.987 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.905 -13.444 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.321 -15.358 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.865 -13.877 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.861 -16.092 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.920 -14.789 -8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.799 -16.022 -7.068 1.00 0.00 H new ATOM 418 N ARG A 27 10.035 -14.997 -3.222 1.00 0.00 N ATOM 419 CA ARG A 27 10.980 -16.103 -3.121 1.00 0.00 C ATOM 420 C ARG A 27 10.515 -17.292 -3.957 1.00 0.00 C ATOM 421 O ARG A 27 9.384 -17.758 -3.818 1.00 0.00 O ATOM 422 CB ARG A 27 11.148 -16.527 -1.661 1.00 0.00 C ATOM 423 CG ARG A 27 11.298 -15.358 -0.701 1.00 0.00 C ATOM 424 CD ARG A 27 11.749 -15.822 0.675 1.00 0.00 C ATOM 425 NE ARG A 27 10.655 -16.420 1.437 1.00 0.00 N ATOM 426 CZ ARG A 27 9.722 -15.711 2.063 1.00 0.00 C ATOM 427 NH1 ARG A 27 9.750 -14.386 2.017 1.00 0.00 N ATOM 428 NH2 ARG A 27 8.759 -16.327 2.735 1.00 0.00 N ATOM 0 H ARG A 27 9.054 -15.276 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 27 11.942 -15.763 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.285 -17.123 -1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.024 -17.170 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.021 -14.647 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.347 -14.832 -0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.555 -16.548 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.155 -14.975 1.228 1.00 0.00 H new ATOM 0 HE ARG A 27 10.605 -17.437 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.489 -13.909 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.033 -13.844 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.734 -17.346 2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.043 -15.782 3.215 1.00 0.00 H new ATOM 442 N PHE A 28 11.395 -17.778 -4.826 1.00 0.00 N ATOM 443 CA PHE A 28 11.075 -18.911 -5.686 1.00 0.00 C ATOM 444 C PHE A 28 12.268 -19.853 -5.811 1.00 0.00 C ATOM 445 O PHE A 28 13.416 -19.447 -5.624 1.00 0.00 O ATOM 446 CB PHE A 28 10.648 -18.423 -7.072 1.00 0.00 C ATOM 447 CG PHE A 28 11.753 -17.754 -7.838 1.00 0.00 C ATOM 448 CD1 PHE A 28 11.975 -16.392 -7.713 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.570 -18.487 -8.684 1.00 0.00 C ATOM 450 CE1 PHE A 28 12.992 -15.773 -8.416 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.588 -17.874 -9.389 1.00 0.00 C ATOM 452 CZ PHE A 28 13.799 -16.515 -9.256 1.00 0.00 C ATOM 0 H PHE A 28 12.336 -17.405 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 28 10.249 -19.458 -5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.278 -19.271 -7.649 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.818 -17.725 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.346 -15.807 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.409 -19.549 -8.793 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.155 -14.711 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 28 14.219 -18.457 -10.044 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.593 -16.034 -9.808 1.00 0.00 H new ATOM 462 N TYR A 29 11.990 -21.113 -6.128 1.00 0.00 N ATOM 463 CA TYR A 29 13.039 -22.114 -6.276 1.00 0.00 C ATOM 464 C TYR A 29 13.011 -22.731 -7.671 1.00 0.00 C ATOM 465 O TYR A 29 11.944 -23.022 -8.212 1.00 0.00 O ATOM 466 CB TYR A 29 12.882 -23.208 -5.219 1.00 0.00 C ATOM 467 CG TYR A 29 14.196 -23.787 -4.746 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.813 -24.820 -5.440 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.821 -23.300 -3.604 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.013 -25.352 -5.011 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.022 -23.825 -3.168 1.00 0.00 C ATOM 472 CZ TYR A 29 16.614 -24.851 -3.875 1.00 0.00 C ATOM 473 OH TYR A 29 17.811 -25.377 -3.445 1.00 0.00 O ATOM 0 H TYR A 29 11.046 -21.465 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 29 14.000 -21.619 -6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.346 -22.800 -4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.267 -24.010 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.346 -25.214 -6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.360 -22.497 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.478 -26.156 -5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.495 -23.435 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 29 18.210 -25.912 -4.163 1.00 0.00 H new ATOM 483 N ASP A 30 14.192 -22.929 -8.247 1.00 0.00 N ATOM 484 CA ASP A 30 14.305 -23.513 -9.578 1.00 0.00 C ATOM 485 C ASP A 30 15.473 -24.491 -9.645 1.00 0.00 C ATOM 486 O ASP A 30 16.634 -24.099 -9.521 1.00 0.00 O ATOM 487 CB ASP A 30 14.482 -22.414 -10.627 1.00 0.00 C ATOM 488 CG ASP A 30 15.730 -21.585 -10.392 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.712 -20.735 -9.477 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.723 -21.786 -11.122 1.00 0.00 O ATOM 0 H ASP A 30 15.084 -22.694 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 30 13.385 -24.059 -9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.531 -22.866 -11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.609 -21.762 -10.617 1.00 0.00 H new ATOM 495 N LYS A 31 15.159 -25.768 -9.840 1.00 0.00 N ATOM 496 CA LYS A 31 16.182 -26.803 -9.924 1.00 0.00 C ATOM 497 C LYS A 31 15.806 -27.857 -10.961 1.00 0.00 C ATOM 498 O LYS A 31 14.753 -27.772 -11.591 1.00 0.00 O ATOM 499 CB LYS A 31 16.381 -27.464 -8.558 1.00 0.00 C ATOM 500 CG LYS A 31 17.822 -27.846 -8.270 1.00 0.00 C ATOM 501 CD LYS A 31 18.123 -27.809 -6.781 1.00 0.00 C ATOM 502 CE LYS A 31 19.215 -28.799 -6.409 1.00 0.00 C ATOM 503 NZ LYS A 31 19.554 -28.733 -4.960 1.00 0.00 N ATOM 0 H LYS A 31 14.204 -26.110 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 31 17.115 -26.332 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.032 -26.784 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.759 -28.358 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.018 -28.846 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.492 -27.164 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.430 -26.803 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.217 -28.037 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.891 -29.809 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 31 20.107 -28.594 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.302 -29.423 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.888 -27.777 -4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.709 -28.953 -4.395 1.00 0.00 H new ATOM 517 N ASN A 32 16.673 -28.850 -11.130 1.00 0.00 N ATOM 518 CA ASN A 32 16.431 -29.921 -12.090 1.00 0.00 C ATOM 519 C ASN A 32 15.210 -30.744 -11.690 1.00 0.00 C ATOM 520 O ASN A 32 14.468 -30.370 -10.782 1.00 0.00 O ATOM 521 CB ASN A 32 17.659 -30.827 -12.195 1.00 0.00 C ATOM 522 CG ASN A 32 18.937 -30.045 -12.424 1.00 0.00 C ATOM 523 OD1 ASN A 32 19.533 -29.518 -11.484 1.00 0.00 O ATOM 524 ND2 ASN A 32 19.364 -29.964 -13.679 1.00 0.00 N ATOM 0 H ASN A 32 17.549 -28.935 -10.615 1.00 0.00 H new ATOM 0 HA ASN A 32 16.239 -29.467 -13.062 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.754 -31.413 -11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.517 -31.533 -13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.218 -29.449 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.838 -30.416 -14.427 1.00 0.00 H new ATOM 531 N GLN A 33 15.010 -31.866 -12.373 1.00 0.00 N ATOM 532 CA GLN A 33 13.880 -32.742 -12.088 1.00 0.00 C ATOM 533 C GLN A 33 12.561 -31.985 -12.206 1.00 0.00 C ATOM 534 O GLN A 33 11.620 -32.234 -11.451 1.00 0.00 O ATOM 535 CB GLN A 33 14.013 -33.344 -10.688 1.00 0.00 C ATOM 536 CG GLN A 33 15.080 -34.422 -10.589 1.00 0.00 C ATOM 537 CD GLN A 33 14.808 -35.410 -9.472 1.00 0.00 C ATOM 538 OE1 GLN A 33 13.660 -35.622 -9.080 1.00 0.00 O ATOM 539 NE2 GLN A 33 15.866 -36.023 -8.953 1.00 0.00 N ATOM 0 H GLN A 33 15.615 -32.190 -13.127 1.00 0.00 H new ATOM 0 HA GLN A 33 13.883 -33.547 -12.823 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.245 -32.548 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.053 -33.766 -10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 33 15.139 -34.958 -11.536 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.051 -33.954 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.800 -35.817 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.745 -36.700 -8.199 1.00 0.00 H new ATOM 548 N LEU A 34 12.499 -31.058 -13.156 1.00 0.00 N ATOM 549 CA LEU A 34 11.296 -30.263 -13.372 1.00 0.00 C ATOM 550 C LEU A 34 10.803 -29.654 -12.064 1.00 0.00 C ATOM 551 O LEU A 34 9.745 -30.023 -11.555 1.00 0.00 O ATOM 552 CB LEU A 34 10.195 -31.126 -13.992 1.00 0.00 C ATOM 553 CG LEU A 34 9.170 -30.389 -14.855 1.00 0.00 C ATOM 554 CD1 LEU A 34 8.538 -29.247 -14.074 1.00 0.00 C ATOM 555 CD2 LEU A 34 9.820 -29.870 -16.129 1.00 0.00 C ATOM 0 H LEU A 34 13.268 -30.839 -13.789 1.00 0.00 H new ATOM 0 HA LEU A 34 11.545 -29.453 -14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.666 -31.897 -14.601 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.664 -31.635 -13.188 1.00 0.00 H new ATOM 0 HG LEU A 34 8.384 -31.092 -15.132 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.811 -28.734 -14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.037 -29.644 -13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.312 -28.544 -13.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.076 -29.348 -16.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.626 -29.182 -15.872 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.225 -30.707 -16.698 1.00 0.00 H new ATOM 567 N GLY A 35 11.577 -28.717 -11.524 1.00 0.00 N ATOM 568 CA GLY A 35 11.202 -28.070 -10.281 1.00 0.00 C ATOM 569 C GLY A 35 11.134 -26.561 -10.410 1.00 0.00 C ATOM 570 O GLY A 35 12.107 -25.921 -10.809 1.00 0.00 O ATOM 0 H GLY A 35 12.457 -28.395 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.232 -28.448 -9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.922 -28.333 -9.506 1.00 0.00 H new ATOM 574 N TRP A 36 9.982 -25.992 -10.074 1.00 0.00 N ATOM 575 CA TRP A 36 9.791 -24.548 -10.156 1.00 0.00 C ATOM 576 C TRP A 36 8.618 -24.104 -9.288 1.00 0.00 C ATOM 577 O TRP A 36 7.471 -24.467 -9.547 1.00 0.00 O ATOM 578 CB TRP A 36 9.556 -24.126 -11.607 1.00 0.00 C ATOM 579 CG TRP A 36 9.572 -22.640 -11.803 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.536 -21.775 -11.595 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.677 -21.846 -12.249 1.00 0.00 C ATOM 582 NE1 TRP A 36 8.931 -20.491 -11.885 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.240 -20.508 -12.286 1.00 0.00 C ATOM 584 CE3 TRP A 36 11.994 -22.135 -12.617 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.073 -19.464 -12.679 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.820 -21.098 -13.006 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.357 -19.776 -13.034 1.00 0.00 C ATOM 0 H TRP A 36 9.167 -26.508 -9.743 1.00 0.00 H new ATOM 0 HA TRP A 36 10.696 -24.065 -9.786 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.322 -24.577 -12.238 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.596 -24.519 -11.941 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.551 -22.058 -11.253 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.344 -19.660 -11.813 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.360 -23.151 -12.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.718 -18.444 -12.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.839 -21.310 -13.293 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.027 -18.987 -13.342 1.00 0.00 H new ATOM 598 N ARG A 37 8.914 -23.318 -8.258 1.00 0.00 N ATOM 599 CA ARG A 37 7.884 -22.826 -7.352 1.00 0.00 C ATOM 600 C ARG A 37 8.179 -21.392 -6.920 1.00 0.00 C ATOM 601 O ARG A 37 9.321 -21.047 -6.619 1.00 0.00 O ATOM 602 CB ARG A 37 7.782 -23.730 -6.122 1.00 0.00 C ATOM 603 CG ARG A 37 7.436 -25.172 -6.453 1.00 0.00 C ATOM 604 CD ARG A 37 5.976 -25.318 -6.852 1.00 0.00 C ATOM 605 NE ARG A 37 5.507 -26.694 -6.716 1.00 0.00 N ATOM 606 CZ ARG A 37 5.771 -27.651 -7.599 1.00 0.00 C ATOM 607 NH1 ARG A 37 6.497 -27.382 -8.675 1.00 0.00 N ATOM 608 NH2 ARG A 37 5.308 -28.880 -7.407 1.00 0.00 N ATOM 0 H ARG A 37 9.859 -23.008 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 37 6.932 -22.838 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.730 -23.707 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.025 -23.329 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.073 -25.523 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.643 -25.804 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.364 -24.663 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.848 -24.992 -7.884 1.00 0.00 H new ATOM 0 HE ARG A 37 4.946 -26.934 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.854 -26.439 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.698 -28.118 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.749 -29.091 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.512 -29.614 -8.086 1.00 0.00 H new ATOM 622 N ALA A 38 7.141 -20.562 -6.893 1.00 0.00 N ATOM 623 CA ALA A 38 7.289 -19.167 -6.497 1.00 0.00 C ATOM 624 C ALA A 38 6.329 -18.813 -5.367 1.00 0.00 C ATOM 625 O ALA A 38 5.282 -19.441 -5.210 1.00 0.00 O ATOM 626 CB ALA A 38 7.061 -18.253 -7.692 1.00 0.00 C ATOM 0 H ALA A 38 6.189 -20.832 -7.141 1.00 0.00 H new ATOM 0 HA ALA A 38 8.306 -19.024 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.174 -17.214 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.790 -18.482 -8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.055 -18.408 -8.082 1.00 0.00 H new ATOM 632 N GLN A 39 6.693 -17.804 -4.582 1.00 0.00 N ATOM 633 CA GLN A 39 5.864 -17.369 -3.464 1.00 0.00 C ATOM 634 C GLN A 39 6.271 -15.976 -2.995 1.00 0.00 C ATOM 635 O GLN A 39 7.442 -15.723 -2.713 1.00 0.00 O ATOM 636 CB GLN A 39 5.970 -18.361 -2.305 1.00 0.00 C ATOM 637 CG GLN A 39 4.821 -19.356 -2.249 1.00 0.00 C ATOM 638 CD GLN A 39 4.624 -19.942 -0.865 1.00 0.00 C ATOM 639 OE1 GLN A 39 3.882 -19.397 -0.047 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.289 -21.059 -0.594 1.00 0.00 N ATOM 0 H GLN A 39 7.556 -17.273 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 39 4.830 -17.331 -3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.909 -18.908 -2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.007 -17.808 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.902 -18.862 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.009 -20.163 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.893 -21.477 -1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.195 -21.499 0.322 1.00 0.00 H new ATOM 649 N ARG A 40 5.296 -15.076 -2.914 1.00 0.00 N ATOM 650 CA ARG A 40 5.554 -13.708 -2.481 1.00 0.00 C ATOM 651 C ARG A 40 4.936 -13.446 -1.110 1.00 0.00 C ATOM 652 O ARG A 40 4.119 -14.229 -0.627 1.00 0.00 O ATOM 653 CB ARG A 40 4.997 -12.713 -3.501 1.00 0.00 C ATOM 654 CG ARG A 40 5.714 -11.373 -3.499 1.00 0.00 C ATOM 655 CD ARG A 40 5.276 -10.505 -4.669 1.00 0.00 C ATOM 656 NE ARG A 40 6.247 -10.527 -5.760 1.00 0.00 N ATOM 657 CZ ARG A 40 6.196 -11.385 -6.772 1.00 0.00 C ATOM 658 NH1 ARG A 40 5.227 -12.288 -6.832 1.00 0.00 N ATOM 659 NH2 ARG A 40 7.117 -11.342 -7.727 1.00 0.00 N ATOM 0 H ARG A 40 4.321 -15.270 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 40 6.633 -13.575 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.065 -13.150 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.939 -12.550 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.512 -10.853 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.791 -11.535 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.310 -10.852 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.137 -9.479 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 40 7.006 -9.846 -5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.518 -12.325 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.190 -12.946 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.865 -10.649 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.077 -12.002 -8.504 1.00 0.00 H new ATOM 673 N GLY A 41 5.333 -12.340 -0.489 1.00 0.00 N ATOM 674 CA GLY A 41 4.809 -11.996 0.820 1.00 0.00 C ATOM 675 C GLY A 41 5.151 -10.576 1.226 1.00 0.00 C ATOM 676 O GLY A 41 6.240 -10.082 0.931 1.00 0.00 O ATOM 0 H GLY A 41 6.008 -11.676 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.726 -12.119 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.208 -12.689 1.561 1.00 0.00 H new ATOM 680 N CYS A 42 4.218 -9.915 1.903 1.00 0.00 N ATOM 681 CA CYS A 42 4.424 -8.542 2.349 1.00 0.00 C ATOM 682 C CYS A 42 5.245 -8.505 3.635 1.00 0.00 C ATOM 683 O CYS A 42 5.144 -9.400 4.474 1.00 0.00 O ATOM 684 CB CYS A 42 3.078 -7.848 2.570 1.00 0.00 C ATOM 685 SG CYS A 42 1.902 -8.053 1.194 1.00 0.00 S ATOM 0 H CYS A 42 3.311 -10.308 2.155 1.00 0.00 H new ATOM 0 HA CYS A 42 4.975 -8.013 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.626 -8.238 3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.252 -6.784 2.730 1.00 0.00 H new ATOM 690 N ALA A 43 6.056 -7.463 3.782 1.00 0.00 N ATOM 691 CA ALA A 43 6.893 -7.307 4.966 1.00 0.00 C ATOM 692 C ALA A 43 7.525 -5.920 5.013 1.00 0.00 C ATOM 693 O ALA A 43 7.172 -5.039 4.228 1.00 0.00 O ATOM 694 CB ALA A 43 7.970 -8.381 4.996 1.00 0.00 C ATOM 0 H ALA A 43 6.152 -6.714 3.096 1.00 0.00 H new ATOM 0 HA ALA A 43 6.259 -7.419 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.587 -8.252 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.502 -9.365 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.593 -8.296 4.106 1.00 0.00 H new ATOM 700 N VAL A 44 8.460 -5.732 5.939 1.00 0.00 N ATOM 701 CA VAL A 44 9.141 -4.452 6.088 1.00 0.00 C ATOM 702 C VAL A 44 10.651 -4.641 6.188 1.00 0.00 C ATOM 703 O VAL A 44 11.372 -3.741 6.617 1.00 0.00 O ATOM 704 CB VAL A 44 8.646 -3.694 7.334 1.00 0.00 C ATOM 705 CG1 VAL A 44 7.314 -3.016 7.053 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.532 -4.639 8.521 1.00 0.00 C ATOM 0 H VAL A 44 8.763 -6.450 6.597 1.00 0.00 H new ATOM 0 HA VAL A 44 8.909 -3.865 5.199 1.00 0.00 H new ATOM 0 HB VAL A 44 9.374 -2.922 7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.980 -2.486 7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.432 -2.308 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.574 -3.768 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.181 -4.087 9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.825 -5.434 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.508 -5.073 8.735 1.00 0.00 H new ATOM 716 N SER A 45 11.122 -5.818 5.789 1.00 0.00 N ATOM 717 CA SER A 45 12.546 -6.128 5.837 1.00 0.00 C ATOM 718 C SER A 45 12.950 -7.011 4.660 1.00 0.00 C ATOM 719 O SER A 45 12.143 -7.784 4.143 1.00 0.00 O ATOM 720 CB SER A 45 12.894 -6.824 7.154 1.00 0.00 C ATOM 721 OG SER A 45 14.163 -6.410 7.630 1.00 0.00 O ATOM 0 H SER A 45 10.538 -6.573 5.429 1.00 0.00 H new ATOM 0 HA SER A 45 13.099 -5.191 5.772 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.131 -6.600 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.891 -7.904 7.010 1.00 0.00 H new ATOM 0 HG SER A 45 14.361 -6.868 8.474 1.00 0.00 H new ATOM 727 N CYS A 46 14.205 -6.890 4.242 1.00 0.00 N ATOM 728 CA CYS A 46 14.719 -7.676 3.126 1.00 0.00 C ATOM 729 C CYS A 46 15.825 -8.619 3.589 1.00 0.00 C ATOM 730 O CYS A 46 17.015 -8.331 3.460 1.00 0.00 O ATOM 731 CB CYS A 46 15.247 -6.753 2.026 1.00 0.00 C ATOM 732 SG CYS A 46 15.064 -7.422 0.342 1.00 0.00 S ATOM 0 H CYS A 46 14.886 -6.255 4.659 1.00 0.00 H new ATOM 0 HA CYS A 46 13.900 -8.274 2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.724 -5.799 2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 46 16.302 -6.550 2.212 1.00 0.00 H new ATOM 737 N PRO A 47 15.425 -9.775 4.141 1.00 0.00 N ATOM 738 CA PRO A 47 16.366 -10.785 4.633 1.00 0.00 C ATOM 739 C PRO A 47 17.122 -11.474 3.502 1.00 0.00 C ATOM 740 O PRO A 47 17.110 -11.010 2.361 1.00 0.00 O ATOM 741 CB PRO A 47 15.465 -11.785 5.361 1.00 0.00 C ATOM 742 CG PRO A 47 14.131 -11.632 4.715 1.00 0.00 C ATOM 743 CD PRO A 47 14.022 -10.184 4.326 1.00 0.00 C ATOM 0 HA PRO A 47 17.139 -10.348 5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.840 -12.803 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.415 -11.569 6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.044 -12.278 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.331 -11.913 5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.442 -10.056 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.530 -9.595 5.101 1.00 0.00 H new ATOM 751 N LYS A 48 17.777 -12.583 3.824 1.00 0.00 N ATOM 752 CA LYS A 48 18.537 -13.338 2.835 1.00 0.00 C ATOM 753 C LYS A 48 18.008 -14.764 2.715 1.00 0.00 C ATOM 754 O LYS A 48 17.007 -15.119 3.336 1.00 0.00 O ATOM 755 CB LYS A 48 20.020 -13.363 3.212 1.00 0.00 C ATOM 756 CG LYS A 48 20.273 -13.739 4.662 1.00 0.00 C ATOM 757 CD LYS A 48 20.107 -15.233 4.888 1.00 0.00 C ATOM 758 CE LYS A 48 20.828 -15.690 6.146 1.00 0.00 C ATOM 759 NZ LYS A 48 20.141 -15.221 7.381 1.00 0.00 N ATOM 0 H LYS A 48 17.797 -12.980 4.763 1.00 0.00 H new ATOM 0 HA LYS A 48 18.422 -12.844 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.539 -14.071 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.452 -12.381 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.281 -13.437 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.583 -13.194 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.047 -15.474 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.495 -15.778 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.888 -16.778 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.851 -15.314 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.664 -15.553 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.106 -14.182 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.173 -15.600 7.405 1.00 0.00 H new ATOM 773 N ALA A 49 18.688 -15.577 1.913 1.00 0.00 N ATOM 774 CA ALA A 49 18.288 -16.964 1.714 1.00 0.00 C ATOM 775 C ALA A 49 19.451 -17.801 1.192 1.00 0.00 C ATOM 776 O ALA A 49 20.545 -17.287 0.961 1.00 0.00 O ATOM 777 CB ALA A 49 17.107 -17.042 0.758 1.00 0.00 C ATOM 0 H ALA A 49 19.519 -15.299 1.391 1.00 0.00 H new ATOM 0 HA ALA A 49 17.986 -17.371 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.820 -18.084 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.266 -16.486 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.388 -16.612 -0.203 1.00 0.00 H new ATOM 783 N LYS A 50 19.207 -19.094 1.008 1.00 0.00 N ATOM 784 CA LYS A 50 20.233 -20.004 0.512 1.00 0.00 C ATOM 785 C LYS A 50 20.720 -19.575 -0.868 1.00 0.00 C ATOM 786 O LYS A 50 20.014 -18.901 -1.620 1.00 0.00 O ATOM 787 CB LYS A 50 19.690 -21.434 0.452 1.00 0.00 C ATOM 788 CG LYS A 50 19.093 -21.914 1.763 1.00 0.00 C ATOM 789 CD LYS A 50 20.157 -22.072 2.836 1.00 0.00 C ATOM 790 CE LYS A 50 20.150 -20.901 3.806 1.00 0.00 C ATOM 791 NZ LYS A 50 21.516 -20.594 4.314 1.00 0.00 N ATOM 0 H LYS A 50 18.307 -19.536 1.195 1.00 0.00 H new ATOM 0 HA LYS A 50 21.077 -19.971 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.929 -21.492 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.496 -22.108 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.337 -21.205 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.588 -22.867 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.988 -23.000 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.138 -22.152 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.741 -20.021 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.493 -21.128 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.469 -19.790 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.897 -21.425 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.137 -20.352 3.516 1.00 0.00 H new ATOM 805 N PRO A 51 21.953 -19.973 -1.212 1.00 0.00 N ATOM 806 CA PRO A 51 22.560 -19.643 -2.505 1.00 0.00 C ATOM 807 C PRO A 51 21.894 -20.377 -3.663 1.00 0.00 C ATOM 808 O PRO A 51 22.189 -20.115 -4.828 1.00 0.00 O ATOM 809 CB PRO A 51 24.011 -20.103 -2.343 1.00 0.00 C ATOM 810 CG PRO A 51 23.957 -21.171 -1.305 1.00 0.00 C ATOM 811 CD PRO A 51 22.850 -20.778 -0.366 1.00 0.00 C ATOM 0 HA PRO A 51 22.458 -18.585 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.413 -20.484 -3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.655 -19.280 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.760 -22.144 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.907 -21.251 -0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.341 -21.651 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.226 -20.204 0.481 1.00 0.00 H new ATOM 819 N ASN A 52 20.993 -21.298 -3.334 1.00 0.00 N ATOM 820 CA ASN A 52 20.285 -22.070 -4.348 1.00 0.00 C ATOM 821 C ASN A 52 18.971 -21.394 -4.728 1.00 0.00 C ATOM 822 O ASN A 52 18.654 -21.251 -5.908 1.00 0.00 O ATOM 823 CB ASN A 52 20.014 -23.488 -3.841 1.00 0.00 C ATOM 824 CG ASN A 52 21.261 -24.351 -3.842 1.00 0.00 C ATOM 825 OD1 ASN A 52 21.637 -24.916 -4.869 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.908 -24.456 -2.687 1.00 0.00 N ATOM 0 H ASN A 52 20.737 -21.527 -2.374 1.00 0.00 H new ATOM 0 HA ASN A 52 20.916 -22.122 -5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.611 -23.438 -2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.252 -23.955 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.754 -25.023 -2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.559 -23.970 -1.861 1.00 0.00 H new ATOM 833 N GLU A 53 18.212 -20.979 -3.719 1.00 0.00 N ATOM 834 CA GLU A 53 16.932 -20.318 -3.948 1.00 0.00 C ATOM 835 C GLU A 53 17.139 -18.883 -4.424 1.00 0.00 C ATOM 836 O GLU A 53 18.264 -18.384 -4.461 1.00 0.00 O ATOM 837 CB GLU A 53 16.093 -20.326 -2.668 1.00 0.00 C ATOM 838 CG GLU A 53 16.785 -19.678 -1.482 1.00 0.00 C ATOM 839 CD GLU A 53 16.644 -20.490 -0.209 1.00 0.00 C ATOM 840 OE1 GLU A 53 16.645 -21.736 -0.298 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.533 -19.881 0.875 1.00 0.00 O ATOM 0 H GLU A 53 18.461 -21.088 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 53 16.402 -20.868 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.153 -19.808 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.844 -21.356 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.843 -19.548 -1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.369 -18.683 -1.322 1.00 0.00 H new ATOM 848 N THR A 54 16.044 -18.224 -4.790 1.00 0.00 N ATOM 849 CA THR A 54 16.104 -16.848 -5.267 1.00 0.00 C ATOM 850 C THR A 54 15.145 -15.954 -4.488 1.00 0.00 C ATOM 851 O THR A 54 13.970 -16.283 -4.323 1.00 0.00 O ATOM 852 CB THR A 54 15.768 -16.758 -6.767 1.00 0.00 C ATOM 853 OG1 THR A 54 16.540 -17.715 -7.501 1.00 0.00 O ATOM 854 CG2 THR A 54 16.044 -15.360 -7.300 1.00 0.00 C ATOM 0 H THR A 54 15.105 -18.621 -4.765 1.00 0.00 H new ATOM 0 HA THR A 54 17.126 -16.503 -5.110 1.00 0.00 H new ATOM 0 HB THR A 54 14.707 -16.975 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.010 -18.058 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.799 -15.320 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.433 -14.637 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.098 -15.119 -7.161 1.00 0.00 H new ATOM 862 N VAL A 55 15.653 -14.823 -4.011 1.00 0.00 N ATOM 863 CA VAL A 55 14.840 -13.880 -3.251 1.00 0.00 C ATOM 864 C VAL A 55 15.020 -12.458 -3.769 1.00 0.00 C ATOM 865 O VAL A 55 16.113 -12.071 -4.182 1.00 0.00 O ATOM 866 CB VAL A 55 15.193 -13.917 -1.752 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.364 -12.899 -0.984 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.987 -15.316 -1.191 1.00 0.00 C ATOM 0 H VAL A 55 16.624 -14.537 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 55 13.801 -14.182 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 55 16.245 -13.655 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.627 -12.939 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.565 -11.900 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.305 -13.127 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.241 -15.324 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.944 -15.608 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.628 -16.019 -1.723 1.00 0.00 H new ATOM 878 N GLN A 56 13.939 -11.684 -3.744 1.00 0.00 N ATOM 879 CA GLN A 56 13.978 -10.303 -4.212 1.00 0.00 C ATOM 880 C GLN A 56 12.798 -9.509 -3.661 1.00 0.00 C ATOM 881 O GLN A 56 11.649 -9.943 -3.747 1.00 0.00 O ATOM 882 CB GLN A 56 13.967 -10.260 -5.741 1.00 0.00 C ATOM 883 CG GLN A 56 12.963 -11.213 -6.369 1.00 0.00 C ATOM 884 CD GLN A 56 13.569 -12.563 -6.700 1.00 0.00 C ATOM 885 OE1 GLN A 56 14.403 -12.679 -7.599 1.00 0.00 O ATOM 886 NE2 GLN A 56 13.150 -13.593 -5.975 1.00 0.00 N ATOM 0 H GLN A 56 13.027 -11.989 -3.405 1.00 0.00 H new ATOM 0 HA GLN A 56 14.900 -9.848 -3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.743 -9.244 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 56 14.964 -10.501 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.124 -11.353 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.563 -10.766 -7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.457 -13.451 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.521 -14.526 -6.153 1.00 0.00 H new ATOM 895 N CYS A 57 13.090 -8.343 -3.093 1.00 0.00 N ATOM 896 CA CYS A 57 12.054 -7.488 -2.527 1.00 0.00 C ATOM 897 C CYS A 57 12.119 -6.086 -3.126 1.00 0.00 C ATOM 898 O CYS A 57 13.140 -5.684 -3.684 1.00 0.00 O ATOM 899 CB CYS A 57 12.202 -7.411 -1.006 1.00 0.00 C ATOM 900 SG CYS A 57 13.609 -6.400 -0.445 1.00 0.00 S ATOM 0 H CYS A 57 14.036 -7.969 -3.013 1.00 0.00 H new ATOM 0 HA CYS A 57 11.085 -7.924 -2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.284 -7.003 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.314 -8.421 -0.611 1.00 0.00 H new ATOM 905 N CYS A 58 11.021 -5.346 -3.007 1.00 0.00 N ATOM 906 CA CYS A 58 10.951 -3.990 -3.536 1.00 0.00 C ATOM 907 C CYS A 58 10.261 -3.055 -2.546 1.00 0.00 C ATOM 908 O CYS A 58 9.319 -3.448 -1.859 1.00 0.00 O ATOM 909 CB CYS A 58 10.204 -3.979 -4.871 1.00 0.00 C ATOM 910 SG CYS A 58 11.279 -3.742 -6.322 1.00 0.00 S ATOM 0 H CYS A 58 10.167 -5.664 -2.548 1.00 0.00 H new ATOM 0 HA CYS A 58 11.969 -3.635 -3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.665 -4.920 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.458 -3.185 -4.851 1.00 0.00 H new ATOM 915 N SER A 59 10.738 -1.816 -2.481 1.00 0.00 N ATOM 916 CA SER A 59 10.171 -0.826 -1.573 1.00 0.00 C ATOM 917 C SER A 59 9.599 0.357 -2.349 1.00 0.00 C ATOM 918 O SER A 59 9.506 1.470 -1.829 1.00 0.00 O ATOM 919 CB SER A 59 11.234 -0.338 -0.587 1.00 0.00 C ATOM 920 OG SER A 59 12.448 -0.037 -1.253 1.00 0.00 O ATOM 0 H SER A 59 11.515 -1.474 -3.046 1.00 0.00 H new ATOM 0 HA SER A 59 9.362 -1.300 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.872 0.548 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.411 -1.102 0.170 1.00 0.00 H new ATOM 0 HG SER A 59 13.110 0.274 -0.601 1.00 0.00 H new ATOM 926 N THR A 60 9.216 0.109 -3.598 1.00 0.00 N ATOM 927 CA THR A 60 8.655 1.152 -4.447 1.00 0.00 C ATOM 928 C THR A 60 7.357 0.690 -5.100 1.00 0.00 C ATOM 929 O THR A 60 7.121 -0.508 -5.255 1.00 0.00 O ATOM 930 CB THR A 60 9.647 1.576 -5.546 1.00 0.00 C ATOM 931 OG1 THR A 60 10.765 0.681 -5.569 1.00 0.00 O ATOM 932 CG2 THR A 60 10.134 2.998 -5.316 1.00 0.00 C ATOM 0 H THR A 60 9.284 -0.806 -4.044 1.00 0.00 H new ATOM 0 HA THR A 60 8.450 2.008 -3.803 1.00 0.00 H new ATOM 0 HB THR A 60 9.131 1.536 -6.505 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.390 0.956 -6.272 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.833 3.275 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.284 3.680 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.634 3.059 -4.349 1.00 0.00 H new ATOM 940 N ASP A 61 6.519 1.647 -5.481 1.00 0.00 N ATOM 941 CA ASP A 61 5.245 1.338 -6.119 1.00 0.00 C ATOM 942 C ASP A 61 5.462 0.747 -7.509 1.00 0.00 C ATOM 943 O ASP A 61 6.205 1.299 -8.321 1.00 0.00 O ATOM 944 CB ASP A 61 4.380 2.596 -6.216 1.00 0.00 C ATOM 945 CG ASP A 61 4.969 3.633 -7.153 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.189 3.886 -7.064 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.211 4.192 -7.973 1.00 0.00 O ATOM 0 H ASP A 61 6.699 2.644 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 61 4.730 0.599 -5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.383 2.322 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.264 3.031 -5.223 1.00 0.00 H new ATOM 952 N LYS A 62 4.811 -0.380 -7.776 1.00 0.00 N ATOM 953 CA LYS A 62 4.932 -1.047 -9.066 1.00 0.00 C ATOM 954 C LYS A 62 6.369 -1.492 -9.316 1.00 0.00 C ATOM 955 O LYS A 62 6.758 -1.763 -10.453 1.00 0.00 O ATOM 956 CB LYS A 62 4.473 -0.115 -10.190 1.00 0.00 C ATOM 957 CG LYS A 62 3.051 -0.377 -10.655 1.00 0.00 C ATOM 958 CD LYS A 62 2.032 0.165 -9.665 1.00 0.00 C ATOM 959 CE LYS A 62 1.682 1.614 -9.964 1.00 0.00 C ATOM 960 NZ LYS A 62 0.970 1.756 -11.264 1.00 0.00 N ATOM 0 H LYS A 62 4.193 -0.851 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 62 4.294 -1.931 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.550 0.917 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.149 -0.222 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.895 0.086 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.901 -1.449 -10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.129 -0.444 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.429 0.087 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.058 2.009 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.594 2.211 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.404 2.629 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.664 1.800 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.343 0.939 -11.408 1.00 0.00 H new ATOM 974 N CYS A 63 7.155 -1.567 -8.247 1.00 0.00 N ATOM 975 CA CYS A 63 8.549 -1.981 -8.349 1.00 0.00 C ATOM 976 C CYS A 63 8.668 -3.502 -8.331 1.00 0.00 C ATOM 977 O CYS A 63 9.233 -4.101 -9.244 1.00 0.00 O ATOM 978 CB CYS A 63 9.366 -1.380 -7.203 1.00 0.00 C ATOM 979 SG CYS A 63 11.088 -1.971 -7.129 1.00 0.00 S ATOM 0 H CYS A 63 6.850 -1.346 -7.299 1.00 0.00 H new ATOM 0 HA CYS A 63 8.942 -1.615 -9.298 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.369 -0.295 -7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.873 -1.611 -6.259 1.00 0.00 H new ATOM 984 N ASN A 64 8.130 -4.119 -7.284 1.00 0.00 N ATOM 985 CA ASN A 64 8.176 -5.571 -7.146 1.00 0.00 C ATOM 986 C ASN A 64 7.667 -6.253 -8.412 1.00 0.00 C ATOM 987 O ASN A 64 6.470 -6.242 -8.699 1.00 0.00 O ATOM 988 CB ASN A 64 7.343 -6.016 -5.943 1.00 0.00 C ATOM 989 CG ASN A 64 7.966 -7.188 -5.210 1.00 0.00 C ATOM 990 OD1 ASN A 64 7.126 -8.038 -4.630 1.00 0.00 O flip ATOM 991 ND2 ASN A 64 9.189 -7.328 -5.166 1.00 0.00 N flip ATOM 0 H ASN A 64 7.657 -3.637 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 64 9.214 -5.864 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.229 -5.179 -5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.343 -6.291 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.797 -6.650 -5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.594 -8.122 -4.669 1.00 0.00 H new ATOM 998 N LYS A 65 8.585 -6.848 -9.167 1.00 0.00 N ATOM 999 CA LYS A 65 8.231 -7.539 -10.401 1.00 0.00 C ATOM 1000 C LYS A 65 7.116 -8.550 -10.158 1.00 0.00 C ATOM 1001 O LYS A 65 6.459 -9.002 -11.097 1.00 0.00 O ATOM 1002 CB LYS A 65 9.457 -8.245 -10.984 1.00 0.00 C ATOM 1003 CG LYS A 65 10.431 -7.305 -11.673 1.00 0.00 C ATOM 1004 CD LYS A 65 11.753 -7.992 -11.971 1.00 0.00 C ATOM 1005 CE LYS A 65 12.890 -6.988 -12.085 1.00 0.00 C ATOM 1006 NZ LYS A 65 14.199 -7.587 -11.705 1.00 0.00 N ATOM 0 H LYS A 65 9.580 -6.865 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 65 7.874 -6.796 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.978 -8.771 -10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.126 -8.999 -11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.992 -6.941 -12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.607 -6.434 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.977 -8.709 -11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.670 -8.556 -12.900 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.944 -6.616 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.683 -6.131 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.948 -6.871 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.156 -7.920 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.409 -8.389 -12.333 1.00 0.00 H new TER 1020 LYS A 65