USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ -147:sc= -0.297 (180deg=-1.55!) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLU N :NH3+ 137:sc= 0.031 (180deg=-0.0229) USER MOD Set 2.2: A 15 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0715 K(o=-0.071,f=-1.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -31:sc= -2.28 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.018 (180deg=-0.226) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.0723 (180deg=-0.429) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.157 -0.185 0.286 1.00 0.00 N ATOM 2 CA GLU A 1 2.761 -0.070 -1.036 1.00 0.00 C ATOM 3 C GLU A 1 2.431 -1.289 -1.893 1.00 0.00 C ATOM 4 O GLU A 1 2.030 -2.333 -1.379 1.00 0.00 O ATOM 5 CB GLU A 1 4.278 0.088 -0.916 1.00 0.00 C ATOM 6 CG GLU A 1 4.919 0.745 -2.127 1.00 0.00 C ATOM 7 CD GLU A 1 6.269 1.359 -1.811 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.692 1.293 -0.638 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.904 1.904 -2.738 1.00 0.00 O ATOM 0 H1 GLU A 1 2.842 0.115 1.008 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.313 0.421 0.336 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.884 -1.174 0.458 1.00 0.00 H new ATOM 0 HA GLU A 1 2.348 0.815 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.504 0.680 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.726 -0.894 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.037 0.004 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.253 1.518 -2.511 1.00 0.00 H new ATOM 16 N CYS A 2 2.603 -1.147 -3.203 1.00 0.00 N ATOM 17 CA CYS A 2 2.324 -2.235 -4.133 1.00 0.00 C ATOM 18 C CYS A 2 3.045 -3.511 -3.710 1.00 0.00 C ATOM 19 O CYS A 2 4.255 -3.505 -3.476 1.00 0.00 O ATOM 20 CB CYS A 2 2.746 -1.843 -5.550 1.00 0.00 C ATOM 21 SG CYS A 2 2.313 -0.134 -6.009 1.00 0.00 S ATOM 0 H CYS A 2 2.934 -0.289 -3.645 1.00 0.00 H new ATOM 0 HA CYS A 2 1.251 -2.424 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.824 -1.971 -5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.280 -2.527 -6.259 1.00 0.00 H new ATOM 26 N LEU A 3 2.296 -4.603 -3.614 1.00 0.00 N ATOM 27 CA LEU A 3 2.863 -5.888 -3.220 1.00 0.00 C ATOM 28 C LEU A 3 2.906 -6.850 -4.403 1.00 0.00 C ATOM 29 O LEU A 3 1.967 -7.613 -4.629 1.00 0.00 O ATOM 30 CB LEU A 3 2.047 -6.500 -2.080 1.00 0.00 C ATOM 31 CG LEU A 3 1.253 -5.516 -1.220 1.00 0.00 C ATOM 32 CD1 LEU A 3 0.010 -6.185 -0.653 1.00 0.00 C ATOM 33 CD2 LEU A 3 2.122 -4.966 -0.099 1.00 0.00 C ATOM 0 H LEU A 3 1.294 -4.625 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 3 3.883 -5.717 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.351 -7.223 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.725 -7.054 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 3 0.938 -4.684 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.542 -5.470 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.623 -6.530 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.303 -7.035 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.541 -4.267 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.467 -5.787 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.982 -4.449 -0.525 1.00 0.00 H new ATOM 45 N GLU A 4 4.004 -6.810 -5.152 1.00 0.00 N ATOM 46 CA GLU A 4 4.169 -7.679 -6.311 1.00 0.00 C ATOM 47 C GLU A 4 4.910 -8.958 -5.930 1.00 0.00 C ATOM 48 O GLU A 4 4.853 -9.958 -6.647 1.00 0.00 O ATOM 49 CB GLU A 4 4.928 -6.949 -7.421 1.00 0.00 C ATOM 50 CG GLU A 4 6.415 -6.800 -7.146 1.00 0.00 C ATOM 51 CD GLU A 4 7.119 -5.953 -8.188 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.505 -4.983 -8.678 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.284 -6.262 -8.513 1.00 0.00 O ATOM 0 H GLU A 4 4.791 -6.186 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 4 3.177 -7.948 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.793 -7.489 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.492 -5.960 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.556 -6.351 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.876 -7.787 -7.114 1.00 0.00 H new ATOM 60 N ILE A 5 5.605 -8.917 -4.798 1.00 0.00 N ATOM 61 CA ILE A 5 6.356 -10.072 -4.322 1.00 0.00 C ATOM 62 C ILE A 5 5.433 -11.101 -3.678 1.00 0.00 C ATOM 63 O ILE A 5 5.805 -12.262 -3.505 1.00 0.00 O ATOM 64 CB ILE A 5 7.436 -9.660 -3.304 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.201 -10.890 -2.813 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.806 -8.919 -2.134 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.759 -11.741 -3.932 1.00 0.00 C ATOM 0 H ILE A 5 5.664 -8.097 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 5 6.839 -10.515 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 5 8.141 -8.990 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.020 -10.566 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.537 -11.500 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.582 -8.635 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.302 -8.024 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.082 -9.567 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.289 -12.595 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.943 -12.095 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.448 -11.147 -4.532 1.00 0.00 H new ATOM 79 N PHE A 6 4.227 -10.668 -3.327 1.00 0.00 N ATOM 80 CA PHE A 6 3.250 -11.552 -2.703 1.00 0.00 C ATOM 81 C PHE A 6 3.079 -11.217 -1.224 1.00 0.00 C ATOM 82 O PHE A 6 2.796 -12.092 -0.405 1.00 0.00 O ATOM 83 CB PHE A 6 3.677 -13.013 -2.860 1.00 0.00 C ATOM 84 CG PHE A 6 4.468 -13.535 -1.695 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.404 -12.734 -1.061 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.273 -14.826 -1.232 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.133 -13.212 0.011 1.00 0.00 C ATOM 88 CE2 PHE A 6 4.999 -15.310 -0.159 1.00 0.00 C ATOM 89 CZ PHE A 6 5.930 -14.501 0.464 1.00 0.00 C ATOM 0 H PHE A 6 3.903 -9.711 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 6 2.293 -11.405 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.789 -13.631 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.272 -13.114 -3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.566 -11.724 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.546 -15.462 -1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.861 -12.578 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.839 -16.319 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.498 -14.876 1.303 1.00 0.00 H new ATOM 99 N LYS A 7 3.254 -9.943 -0.888 1.00 0.00 N ATOM 100 CA LYS A 7 3.119 -9.490 0.491 1.00 0.00 C ATOM 101 C LYS A 7 1.651 -9.422 0.900 1.00 0.00 C ATOM 102 O LYS A 7 0.798 -9.003 0.119 1.00 0.00 O ATOM 103 CB LYS A 7 3.772 -8.116 0.663 1.00 0.00 C ATOM 104 CG LYS A 7 4.506 -7.953 1.983 1.00 0.00 C ATOM 105 CD LYS A 7 5.935 -8.462 1.893 1.00 0.00 C ATOM 106 CE LYS A 7 6.707 -8.187 3.174 1.00 0.00 C ATOM 107 NZ LYS A 7 6.494 -9.256 4.189 1.00 0.00 N ATOM 0 H LYS A 7 3.490 -9.206 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 7 3.624 -10.209 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.473 -7.951 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.004 -7.346 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.511 -6.902 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.974 -8.495 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.929 -9.534 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.440 -7.985 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.770 -8.108 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.396 -7.227 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.037 -9.033 5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.483 -9.315 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.814 -10.168 3.805 1.00 0.00 H new ATOM 121 N ALA A 8 1.365 -9.835 2.131 1.00 0.00 N ATOM 122 CA ALA A 8 0.002 -9.817 2.645 1.00 0.00 C ATOM 123 C ALA A 8 -0.694 -8.502 2.311 1.00 0.00 C ATOM 124 O ALA A 8 -0.309 -7.442 2.805 1.00 0.00 O ATOM 125 CB ALA A 8 0.001 -10.051 4.148 1.00 0.00 C ATOM 0 H ALA A 8 2.060 -10.186 2.790 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.552 -10.623 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.024 -10.035 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.450 -11.020 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.576 -9.266 4.639 1.00 0.00 H new ATOM 131 N CYS A 9 -1.720 -8.577 1.470 1.00 0.00 N ATOM 132 CA CYS A 9 -2.469 -7.392 1.069 1.00 0.00 C ATOM 133 C CYS A 9 -3.648 -7.151 2.007 1.00 0.00 C ATOM 134 O CYS A 9 -4.255 -8.094 2.513 1.00 0.00 O ATOM 135 CB CYS A 9 -2.969 -7.541 -0.369 1.00 0.00 C ATOM 136 SG CYS A 9 -4.784 -7.553 -0.527 1.00 0.00 S ATOM 0 H CYS A 9 -2.052 -9.447 1.053 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.800 -6.533 1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.568 -6.724 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.572 -8.467 -0.786 1.00 0.00 H new ATOM 141 N ASN A 10 -3.966 -5.881 2.234 1.00 0.00 N ATOM 142 CA ASN A 10 -5.073 -5.515 3.111 1.00 0.00 C ATOM 143 C ASN A 10 -6.414 -5.816 2.450 1.00 0.00 C ATOM 144 O ASN A 10 -6.555 -5.774 1.227 1.00 0.00 O ATOM 145 CB ASN A 10 -4.993 -4.031 3.476 1.00 0.00 C ATOM 146 CG ASN A 10 -4.092 -3.776 4.668 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.473 -4.697 5.201 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.015 -2.520 5.093 1.00 0.00 N ATOM 0 H ASN A 10 -3.473 -5.088 1.823 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.995 -6.111 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.624 -3.468 2.618 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.994 -3.659 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.425 -2.287 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.546 -1.788 4.621 1.00 0.00 H new ATOM 155 N PRO A 11 -7.424 -6.128 3.275 1.00 0.00 N ATOM 156 CA PRO A 11 -8.773 -6.441 2.793 1.00 0.00 C ATOM 157 C PRO A 11 -9.484 -5.218 2.225 1.00 0.00 C ATOM 158 O PRO A 11 -10.043 -5.266 1.129 1.00 0.00 O ATOM 159 CB PRO A 11 -9.491 -6.943 4.048 1.00 0.00 C ATOM 160 CG PRO A 11 -8.763 -6.305 5.181 1.00 0.00 C ATOM 161 CD PRO A 11 -7.328 -6.197 4.743 1.00 0.00 C ATOM 0 HA PRO A 11 -8.757 -7.164 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.543 -6.658 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.455 -8.030 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.177 -5.322 5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.850 -6.904 6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.847 -5.310 5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.743 -7.057 5.068 1.00 0.00 H new ATOM 169 N SER A 12 -9.459 -4.122 2.977 1.00 0.00 N ATOM 170 CA SER A 12 -10.105 -2.887 2.550 1.00 0.00 C ATOM 171 C SER A 12 -9.122 -1.990 1.803 1.00 0.00 C ATOM 172 O SER A 12 -9.181 -1.871 0.580 1.00 0.00 O ATOM 173 CB SER A 12 -10.677 -2.141 3.757 1.00 0.00 C ATOM 174 OG SER A 12 -11.933 -2.674 4.138 1.00 0.00 O ATOM 0 H SER A 12 -8.998 -4.065 3.885 1.00 0.00 H new ATOM 0 HA SER A 12 -10.919 -3.147 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.981 -2.208 4.593 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.785 -1.083 3.517 1.00 0.00 H new ATOM 0 HG SER A 12 -12.276 -2.181 4.912 1.00 0.00 H new ATOM 180 N ASN A 13 -8.219 -1.362 2.548 1.00 0.00 N ATOM 181 CA ASN A 13 -7.223 -0.476 1.958 1.00 0.00 C ATOM 182 C ASN A 13 -6.137 -1.276 1.246 1.00 0.00 C ATOM 183 O ASN A 13 -5.019 -1.406 1.746 1.00 0.00 O ATOM 184 CB ASN A 13 -6.596 0.411 3.036 1.00 0.00 C ATOM 185 CG ASN A 13 -6.014 1.690 2.466 1.00 0.00 C ATOM 186 OD1 ASN A 13 -6.740 2.537 1.946 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.698 1.835 2.562 1.00 0.00 N ATOM 0 H ASN A 13 -8.156 -1.450 3.562 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.724 0.155 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.351 0.659 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.811 -0.145 3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.249 2.675 2.196 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.135 1.106 3.001 1.00 0.00 H new ATOM 194 N ASP A 14 -6.473 -1.809 0.077 1.00 0.00 N ATOM 195 CA ASP A 14 -5.526 -2.595 -0.706 1.00 0.00 C ATOM 196 C ASP A 14 -4.206 -1.848 -0.873 1.00 0.00 C ATOM 197 O ASP A 14 -4.152 -0.626 -0.732 1.00 0.00 O ATOM 198 CB ASP A 14 -6.116 -2.926 -2.077 1.00 0.00 C ATOM 199 CG ASP A 14 -5.420 -4.100 -2.739 1.00 0.00 C ATOM 200 OD1 ASP A 14 -4.692 -4.831 -2.035 1.00 0.00 O ATOM 201 OD2 ASP A 14 -5.602 -4.286 -3.960 1.00 0.00 O ATOM 0 H ASP A 14 -7.394 -1.711 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.332 -3.523 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.177 -3.151 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.040 -2.051 -2.723 1.00 0.00 H new ATOM 206 N GLN A 15 -3.146 -2.590 -1.173 1.00 0.00 N ATOM 207 CA GLN A 15 -1.826 -1.997 -1.357 1.00 0.00 C ATOM 208 C GLN A 15 -1.342 -2.181 -2.792 1.00 0.00 C ATOM 209 O GLN A 15 -0.596 -1.355 -3.317 1.00 0.00 O ATOM 210 CB GLN A 15 -0.824 -2.619 -0.384 1.00 0.00 C ATOM 211 CG GLN A 15 -1.364 -2.775 1.029 1.00 0.00 C ATOM 212 CD GLN A 15 -0.365 -3.422 1.967 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.757 -2.941 2.126 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.768 -4.521 2.596 1.00 0.00 N ATOM 0 H GLN A 15 -3.174 -3.602 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.903 -0.929 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.525 -3.597 -0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.073 -2.001 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.641 -1.795 1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.273 -3.376 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.707 -4.886 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.138 -5.000 3.240 1.00 0.00 H new ATOM 223 N CYS A 16 -1.770 -3.271 -3.420 1.00 0.00 N ATOM 224 CA CYS A 16 -1.380 -3.566 -4.793 1.00 0.00 C ATOM 225 C CYS A 16 -1.399 -2.301 -5.647 1.00 0.00 C ATOM 226 O CYS A 16 -2.181 -1.382 -5.399 1.00 0.00 O ATOM 227 CB CYS A 16 -2.315 -4.616 -5.397 1.00 0.00 C ATOM 228 SG CYS A 16 -2.795 -5.937 -4.238 1.00 0.00 S ATOM 0 H CYS A 16 -2.388 -3.965 -2.999 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.364 -3.959 -4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.215 -4.120 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.829 -5.066 -6.263 1.00 0.00 H new ATOM 233 N CYS A 17 -0.534 -2.261 -6.655 1.00 0.00 N ATOM 234 CA CYS A 17 -0.450 -1.111 -7.547 1.00 0.00 C ATOM 235 C CYS A 17 -1.700 -1.003 -8.415 1.00 0.00 C ATOM 236 O CYS A 17 -2.657 -1.759 -8.242 1.00 0.00 O ATOM 237 CB CYS A 17 0.792 -1.216 -8.433 1.00 0.00 C ATOM 238 SG CYS A 17 2.118 -0.045 -7.996 1.00 0.00 S ATOM 0 H CYS A 17 0.119 -3.013 -6.875 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.376 -0.213 -6.934 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.184 -2.231 -8.372 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.501 -1.048 -9.470 1.00 0.00 H new ATOM 243 N LYS A 18 -1.685 -0.059 -9.350 1.00 0.00 N ATOM 244 CA LYS A 18 -2.815 0.148 -10.248 1.00 0.00 C ATOM 245 C LYS A 18 -2.662 -0.685 -11.516 1.00 0.00 C ATOM 246 O LYS A 18 -3.209 -1.784 -11.619 1.00 0.00 O ATOM 247 CB LYS A 18 -2.941 1.629 -10.610 1.00 0.00 C ATOM 248 CG LYS A 18 -3.845 2.410 -9.672 1.00 0.00 C ATOM 249 CD LYS A 18 -3.270 2.474 -8.267 1.00 0.00 C ATOM 250 CE LYS A 18 -3.974 3.525 -7.423 1.00 0.00 C ATOM 251 NZ LYS A 18 -3.500 3.513 -6.012 1.00 0.00 N ATOM 0 H LYS A 18 -0.902 0.576 -9.506 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.720 -0.171 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.949 2.081 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.325 1.714 -11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.983 3.421 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.830 1.943 -9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.365 1.499 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.205 2.701 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.803 4.511 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.049 3.349 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.004 4.244 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.686 2.580 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.479 3.707 -5.987 1.00 0.00 H new ATOM 265 N SER A 19 -1.915 -0.156 -12.479 1.00 0.00 N ATOM 266 CA SER A 19 -1.692 -0.851 -13.742 1.00 0.00 C ATOM 267 C SER A 19 -1.020 -2.200 -13.509 1.00 0.00 C ATOM 268 O SER A 19 -1.069 -3.086 -14.362 1.00 0.00 O ATOM 269 CB SER A 19 -0.832 0.005 -14.674 1.00 0.00 C ATOM 270 OG SER A 19 -1.621 0.962 -15.360 1.00 0.00 O ATOM 0 H SER A 19 -1.454 0.751 -12.409 1.00 0.00 H new ATOM 0 HA SER A 19 -2.662 -1.024 -14.209 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.059 0.513 -14.097 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.323 -0.635 -15.395 1.00 0.00 H new ATOM 0 HG SER A 19 -1.048 1.497 -15.948 1.00 0.00 H new ATOM 276 N SER A 20 -0.392 -2.349 -12.347 1.00 0.00 N ATOM 277 CA SER A 20 0.294 -3.588 -12.001 1.00 0.00 C ATOM 278 C SER A 20 -0.654 -4.780 -12.101 1.00 0.00 C ATOM 279 O SER A 20 -1.862 -4.647 -11.898 1.00 0.00 O ATOM 280 CB SER A 20 0.872 -3.499 -10.588 1.00 0.00 C ATOM 281 OG SER A 20 -0.152 -3.576 -9.612 1.00 0.00 O ATOM 0 H SER A 20 -0.344 -1.626 -11.629 1.00 0.00 H new ATOM 0 HA SER A 20 1.109 -3.733 -12.710 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.588 -4.306 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.418 -2.563 -10.473 1.00 0.00 H new ATOM 0 HG SER A 20 -0.976 -3.185 -9.971 1.00 0.00 H new ATOM 287 N LYS A 21 -0.099 -5.945 -12.415 1.00 0.00 N ATOM 288 CA LYS A 21 -0.892 -7.162 -12.541 1.00 0.00 C ATOM 289 C LYS A 21 -1.022 -7.868 -11.196 1.00 0.00 C ATOM 290 O LYS A 21 -1.954 -8.645 -10.978 1.00 0.00 O ATOM 291 CB LYS A 21 -0.257 -8.106 -13.565 1.00 0.00 C ATOM 292 CG LYS A 21 -1.176 -9.231 -14.008 1.00 0.00 C ATOM 293 CD LYS A 21 -2.123 -8.778 -15.107 1.00 0.00 C ATOM 294 CE LYS A 21 -1.477 -8.890 -16.480 1.00 0.00 C ATOM 295 NZ LYS A 21 -0.748 -7.646 -16.853 1.00 0.00 N ATOM 0 H LYS A 21 0.898 -6.072 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.889 -6.882 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.045 -7.530 -14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.649 -8.535 -13.138 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.579 -10.071 -14.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.752 -9.589 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.030 -9.383 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.423 -7.745 -14.928 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.786 -9.733 -16.488 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.244 -9.099 -17.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.808 -7.504 -17.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.176 -6.833 -16.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.250 -7.731 -16.573 1.00 0.00 H new ATOM 309 N LEU A 22 -0.085 -7.594 -10.295 1.00 0.00 N ATOM 310 CA LEU A 22 -0.096 -8.202 -8.970 1.00 0.00 C ATOM 311 C LEU A 22 -1.517 -8.283 -8.419 1.00 0.00 C ATOM 312 O LEU A 22 -2.127 -7.264 -8.094 1.00 0.00 O ATOM 313 CB LEU A 22 0.789 -7.401 -8.012 1.00 0.00 C ATOM 314 CG LEU A 22 1.278 -6.047 -8.525 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.459 -5.073 -7.371 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.579 -6.207 -9.298 1.00 0.00 C ATOM 0 H LEU A 22 0.692 -6.954 -10.458 1.00 0.00 H new ATOM 0 HA LEU A 22 0.298 -9.214 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.235 -7.238 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.659 -8.007 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 22 0.524 -5.643 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.808 -4.114 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.507 -4.934 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.193 -5.471 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.912 -5.233 -9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.340 -6.633 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.418 -6.870 -10.148 1.00 0.00 H new ATOM 328 N VAL A 23 -2.037 -9.502 -8.316 1.00 0.00 N ATOM 329 CA VAL A 23 -3.384 -9.717 -7.802 1.00 0.00 C ATOM 330 C VAL A 23 -3.351 -10.181 -6.351 1.00 0.00 C ATOM 331 O VAL A 23 -2.435 -10.891 -5.935 1.00 0.00 O ATOM 332 CB VAL A 23 -4.148 -10.756 -8.645 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.419 -12.091 -8.635 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.572 -10.913 -8.134 1.00 0.00 C ATOM 0 H VAL A 23 -1.546 -10.355 -8.582 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.902 -8.760 -7.862 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.193 -10.401 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.973 -12.813 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.420 -11.963 -9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.341 -12.455 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.097 -11.651 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.552 -11.245 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.089 -9.956 -8.198 1.00 0.00 H new ATOM 344 N CYS A 24 -4.357 -9.777 -5.582 1.00 0.00 N ATOM 345 CA CYS A 24 -4.444 -10.151 -4.176 1.00 0.00 C ATOM 346 C CYS A 24 -5.729 -10.927 -3.898 1.00 0.00 C ATOM 347 O CYS A 24 -5.766 -11.795 -3.027 1.00 0.00 O ATOM 348 CB CYS A 24 -4.387 -8.905 -3.290 1.00 0.00 C ATOM 349 SG CYS A 24 -5.311 -9.059 -1.728 1.00 0.00 S ATOM 0 H CYS A 24 -5.124 -9.190 -5.910 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.594 -10.793 -3.944 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.345 -8.682 -3.062 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.780 -8.056 -3.850 1.00 0.00 H new ATOM 354 N SER A 25 -6.780 -10.606 -4.646 1.00 0.00 N ATOM 355 CA SER A 25 -8.068 -11.270 -4.478 1.00 0.00 C ATOM 356 C SER A 25 -8.019 -12.695 -5.021 1.00 0.00 C ATOM 357 O SER A 25 -8.233 -13.659 -4.285 1.00 0.00 O ATOM 358 CB SER A 25 -9.169 -10.479 -5.188 1.00 0.00 C ATOM 359 OG SER A 25 -10.392 -11.196 -5.187 1.00 0.00 O ATOM 0 H SER A 25 -6.765 -9.891 -5.373 1.00 0.00 H new ATOM 0 HA SER A 25 -8.291 -11.313 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.307 -9.517 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.867 -10.270 -6.214 1.00 0.00 H new ATOM 0 HG SER A 25 -11.080 -10.670 -5.645 1.00 0.00 H new ATOM 365 N ARG A 26 -7.736 -12.820 -6.313 1.00 0.00 N ATOM 366 CA ARG A 26 -7.660 -14.126 -6.956 1.00 0.00 C ATOM 367 C ARG A 26 -6.847 -15.102 -6.110 1.00 0.00 C ATOM 368 O ARG A 26 -7.298 -16.208 -5.811 1.00 0.00 O ATOM 369 CB ARG A 26 -7.036 -13.999 -8.347 1.00 0.00 C ATOM 370 CG ARG A 26 -7.931 -13.294 -9.353 1.00 0.00 C ATOM 371 CD ARG A 26 -7.307 -13.278 -10.739 1.00 0.00 C ATOM 372 NE ARG A 26 -8.316 -13.233 -11.794 1.00 0.00 N ATOM 373 CZ ARG A 26 -9.068 -12.168 -12.047 1.00 0.00 C ATOM 374 NH1 ARG A 26 -8.924 -11.064 -11.326 1.00 0.00 N ATOM 375 NH2 ARG A 26 -9.965 -12.204 -13.024 1.00 0.00 N ATOM 0 H ARG A 26 -7.555 -12.032 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.674 -14.513 -7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.095 -13.454 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.797 -14.994 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.898 -13.794 -9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.115 -12.271 -9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.649 -12.414 -10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.688 -14.166 -10.868 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.450 -14.065 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.234 -11.032 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.503 -10.247 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.078 -13.050 -13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.542 -11.385 -13.217 1.00 0.00 H new ATOM 389 N LYS A 27 -5.645 -14.685 -5.727 1.00 0.00 N ATOM 390 CA LYS A 27 -4.767 -15.520 -4.915 1.00 0.00 C ATOM 391 C LYS A 27 -4.936 -15.205 -3.432 1.00 0.00 C ATOM 392 O LYS A 27 -5.823 -14.444 -3.044 1.00 0.00 O ATOM 393 CB LYS A 27 -3.308 -15.316 -5.328 1.00 0.00 C ATOM 394 CG LYS A 27 -2.850 -16.258 -6.427 1.00 0.00 C ATOM 395 CD LYS A 27 -3.425 -15.862 -7.777 1.00 0.00 C ATOM 396 CE LYS A 27 -3.037 -16.855 -8.861 1.00 0.00 C ATOM 397 NZ LYS A 27 -3.623 -18.202 -8.616 1.00 0.00 N ATOM 0 H LYS A 27 -5.256 -13.773 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.042 -16.562 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.175 -14.288 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.670 -15.452 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.761 -16.255 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.155 -17.276 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.511 -15.803 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.069 -14.868 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.372 -16.484 -9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.951 -16.935 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.555 -18.773 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.102 -18.673 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.622 -18.102 -8.345 1.00 0.00 H new ATOM 411 N THR A 28 -4.077 -15.793 -2.605 1.00 0.00 N ATOM 412 CA THR A 28 -4.130 -15.575 -1.165 1.00 0.00 C ATOM 413 C THR A 28 -4.193 -14.087 -0.836 1.00 0.00 C ATOM 414 O THR A 28 -4.040 -13.241 -1.717 1.00 0.00 O ATOM 415 CB THR A 28 -2.910 -16.194 -0.457 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.284 -17.157 -1.312 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.322 -16.859 0.848 1.00 0.00 C ATOM 0 H THR A 28 -3.336 -16.424 -2.909 1.00 0.00 H new ATOM 0 HA THR A 28 -5.036 -16.063 -0.805 1.00 0.00 H new ATOM 0 HB THR A 28 -2.204 -15.395 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.508 -17.545 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.444 -17.289 1.330 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.772 -16.117 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.046 -17.648 0.642 1.00 0.00 H new ATOM 425 N ARG A 29 -4.418 -13.776 0.436 1.00 0.00 N ATOM 426 CA ARG A 29 -4.501 -12.390 0.880 1.00 0.00 C ATOM 427 C ARG A 29 -3.310 -11.584 0.371 1.00 0.00 C ATOM 428 O ARG A 29 -3.380 -10.361 0.254 1.00 0.00 O ATOM 429 CB ARG A 29 -4.560 -12.324 2.407 1.00 0.00 C ATOM 430 CG ARG A 29 -5.964 -12.475 2.970 1.00 0.00 C ATOM 431 CD ARG A 29 -6.341 -13.939 3.142 1.00 0.00 C ATOM 432 NE ARG A 29 -5.610 -14.566 4.240 1.00 0.00 N ATOM 433 CZ ARG A 29 -5.876 -15.784 4.699 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.851 -16.502 4.157 1.00 0.00 N ATOM 435 NH2 ARG A 29 -5.167 -16.286 5.701 1.00 0.00 N ATOM 0 H ARG A 29 -4.546 -14.465 1.177 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.413 -11.957 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.926 -13.108 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.146 -11.371 2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.028 -11.966 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.678 -11.990 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.412 -14.018 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.137 -14.477 2.216 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.854 -14.040 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.398 -16.119 3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.053 -17.437 4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.417 -15.737 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.372 -17.221 6.053 1.00 0.00 H new ATOM 449 N ALA A 30 -2.217 -12.277 0.071 1.00 0.00 N ATOM 450 CA ALA A 30 -1.011 -11.626 -0.426 1.00 0.00 C ATOM 451 C ALA A 30 -1.160 -11.244 -1.895 1.00 0.00 C ATOM 452 O ALA A 30 -1.812 -11.948 -2.667 1.00 0.00 O ATOM 453 CB ALA A 30 0.195 -12.533 -0.234 1.00 0.00 C ATOM 0 H ALA A 30 -2.142 -13.290 0.163 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.858 -10.711 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.089 -12.034 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.320 -12.752 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.042 -13.463 -0.781 1.00 0.00 H new ATOM 459 N CYS A 31 -0.552 -10.125 -2.274 1.00 0.00 N ATOM 460 CA CYS A 31 -0.618 -9.648 -3.650 1.00 0.00 C ATOM 461 C CYS A 31 0.657 -10.002 -4.410 1.00 0.00 C ATOM 462 O CYS A 31 1.755 -9.598 -4.026 1.00 0.00 O ATOM 463 CB CYS A 31 -0.836 -8.134 -3.677 1.00 0.00 C ATOM 464 SG CYS A 31 -1.935 -7.565 -5.014 1.00 0.00 S ATOM 0 H CYS A 31 -0.008 -9.532 -1.648 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.460 -10.139 -4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.253 -7.821 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.130 -7.640 -3.780 1.00 0.00 H new ATOM 469 N LYS A 32 0.504 -10.759 -5.491 1.00 0.00 N ATOM 470 CA LYS A 32 1.641 -11.168 -6.307 1.00 0.00 C ATOM 471 C LYS A 32 1.260 -11.225 -7.783 1.00 0.00 C ATOM 472 O LYS A 32 0.108 -11.492 -8.126 1.00 0.00 O ATOM 473 CB LYS A 32 2.159 -12.533 -5.850 1.00 0.00 C ATOM 474 CG LYS A 32 1.408 -13.704 -6.462 1.00 0.00 C ATOM 475 CD LYS A 32 1.365 -14.893 -5.517 1.00 0.00 C ATOM 476 CE LYS A 32 2.487 -15.878 -5.808 1.00 0.00 C ATOM 477 NZ LYS A 32 2.318 -16.534 -7.135 1.00 0.00 N ATOM 0 H LYS A 32 -0.397 -11.102 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 32 2.430 -10.427 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.215 -12.616 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.088 -12.594 -4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.392 -13.397 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.888 -13.997 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.444 -14.544 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.403 -15.398 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.444 -15.357 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.514 -16.638 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.805 -17.453 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.306 -16.679 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.725 -15.928 -7.876 1.00 0.00 H new ATOM 491 N TYR A 33 2.233 -10.973 -8.651 1.00 0.00 N ATOM 492 CA TYR A 33 1.998 -10.995 -10.090 1.00 0.00 C ATOM 493 C TYR A 33 1.282 -12.277 -10.505 1.00 0.00 C ATOM 494 O TYR A 33 1.575 -13.357 -9.996 1.00 0.00 O ATOM 495 CB TYR A 33 3.322 -10.870 -10.846 1.00 0.00 C ATOM 496 CG TYR A 33 3.160 -10.415 -12.278 1.00 0.00 C ATOM 497 CD1 TYR A 33 2.737 -11.297 -13.265 1.00 0.00 C ATOM 498 CD2 TYR A 33 3.430 -9.102 -12.645 1.00 0.00 C ATOM 499 CE1 TYR A 33 2.589 -10.885 -14.575 1.00 0.00 C ATOM 500 CE2 TYR A 33 3.284 -8.681 -13.953 1.00 0.00 C ATOM 501 CZ TYR A 33 2.863 -9.577 -14.914 1.00 0.00 C ATOM 502 OH TYR A 33 2.715 -9.162 -16.218 1.00 0.00 O ATOM 0 H TYR A 33 3.192 -10.751 -8.384 1.00 0.00 H new ATOM 0 HA TYR A 33 1.362 -10.147 -10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.966 -10.165 -10.320 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.830 -11.835 -10.835 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.520 -12.322 -13.003 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.760 -8.398 -11.895 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.260 -11.584 -15.330 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.498 -7.657 -14.221 1.00 0.00 H new ATOM 0 HH TYR A 33 2.947 -8.212 -16.287 1.00 0.00 H new ATOM 512 N GLN A 34 0.340 -12.146 -11.435 1.00 0.00 N ATOM 513 CA GLN A 34 -0.419 -13.292 -11.920 1.00 0.00 C ATOM 514 C GLN A 34 0.213 -13.869 -13.182 1.00 0.00 C ATOM 515 O GLN A 34 0.324 -13.184 -14.200 1.00 0.00 O ATOM 516 CB GLN A 34 -1.868 -12.890 -12.198 1.00 0.00 C ATOM 517 CG GLN A 34 -2.834 -14.064 -12.204 1.00 0.00 C ATOM 518 CD GLN A 34 -4.079 -13.790 -13.025 1.00 0.00 C ATOM 519 OE1 GLN A 34 -4.559 -12.658 -13.088 1.00 0.00 O ATOM 520 NE2 GLN A 34 -4.609 -14.829 -13.660 1.00 0.00 N ATOM 0 H GLN A 34 0.085 -11.258 -11.867 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.405 -14.059 -11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.188 -12.171 -11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.918 -12.384 -13.162 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.328 -14.944 -12.601 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.123 -14.297 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.178 -15.750 -13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.447 -14.706 -14.228 1.00 0.00 H new ATOM 529 N ILE A 35 0.625 -15.130 -13.109 1.00 0.00 N ATOM 530 CA ILE A 35 1.245 -15.798 -14.247 1.00 0.00 C ATOM 531 C ILE A 35 0.191 -16.380 -15.183 1.00 0.00 C ATOM 532 O ILE A 35 -0.667 -17.156 -14.764 1.00 0.00 O ATOM 533 CB ILE A 35 2.190 -16.925 -13.792 1.00 0.00 C ATOM 534 CG1 ILE A 35 3.223 -16.385 -12.801 1.00 0.00 C ATOM 535 CG2 ILE A 35 2.879 -17.556 -14.992 1.00 0.00 C ATOM 536 CD1 ILE A 35 2.781 -16.477 -11.357 1.00 0.00 C ATOM 0 H ILE A 35 0.541 -15.710 -12.274 1.00 0.00 H new ATOM 0 HA ILE A 35 1.824 -15.043 -14.779 1.00 0.00 H new ATOM 0 HB ILE A 35 1.600 -17.693 -13.291 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.155 -16.937 -12.923 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.436 -15.343 -13.042 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.544 -18.351 -14.654 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.129 -17.972 -15.665 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.459 -16.798 -15.519 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.562 -16.076 -10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.866 -15.901 -11.219 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.596 -17.520 -11.099 1.00 0.00 H new TER 548 ILE A 35