USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 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 10 ASN : amide:sc= 0.254 K(o=0.8,f=0.05) USER MOD Set 1.2: A 13 ASN : amide:sc= 0.547 K(o=0.8,f=-2.8!) USER MOD Single : A 1 GLU N :NH3+ 150:sc= 0.0173 (180deg=-0.166) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -5.6! C(o=-5.6!,f=-5.5!) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0681) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 20 SER OG : rot -157:sc= -1.87 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= -0.451 (180deg=-0.655) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.598 0.092 0.214 1.00 0.00 N ATOM 2 CA GLU A 1 2.244 0.142 -1.093 1.00 0.00 C ATOM 3 C GLU A 1 1.860 -1.070 -1.936 1.00 0.00 C ATOM 4 O GLU A 1 1.085 -1.923 -1.502 1.00 0.00 O ATOM 5 CB GLU A 1 3.765 0.205 -0.933 1.00 0.00 C ATOM 6 CG GLU A 1 4.310 -0.781 0.087 1.00 0.00 C ATOM 7 CD GLU A 1 5.796 -1.033 -0.083 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.212 -1.391 -1.205 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.542 -0.873 0.906 1.00 0.00 O ATOM 0 H1 GLU A 1 2.200 0.566 0.917 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.677 0.573 0.165 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.456 -0.900 0.493 1.00 0.00 H new ATOM 0 HA GLU A 1 1.902 1.042 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.232 0.012 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.050 1.215 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.122 -0.401 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.772 -1.725 -0.002 1.00 0.00 H new ATOM 16 N CYS A 2 2.407 -1.140 -3.145 1.00 0.00 N ATOM 17 CA CYS A 2 2.122 -2.246 -4.051 1.00 0.00 C ATOM 18 C CYS A 2 2.881 -3.502 -3.632 1.00 0.00 C ATOM 19 O CYS A 2 4.090 -3.461 -3.398 1.00 0.00 O ATOM 20 CB CYS A 2 2.496 -1.866 -5.486 1.00 0.00 C ATOM 21 SG CYS A 2 2.130 -0.134 -5.916 1.00 0.00 S ATOM 0 H CYS A 2 3.051 -0.443 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 2 1.053 -2.456 -4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.560 -2.049 -5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.962 -2.521 -6.175 1.00 0.00 H new ATOM 26 N LEU A 3 2.163 -4.616 -3.540 1.00 0.00 N ATOM 27 CA LEU A 3 2.768 -5.885 -3.149 1.00 0.00 C ATOM 28 C LEU A 3 2.816 -6.851 -4.328 1.00 0.00 C ATOM 29 O LEU A 3 1.890 -7.634 -4.538 1.00 0.00 O ATOM 30 CB LEU A 3 1.985 -6.511 -1.993 1.00 0.00 C ATOM 31 CG LEU A 3 1.045 -5.574 -1.234 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.116 -6.353 -0.636 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.802 -4.823 -0.149 1.00 0.00 C ATOM 0 H LEU A 3 1.162 -4.667 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 3 3.789 -5.688 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.399 -7.342 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.698 -6.931 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 3 0.642 -4.845 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.775 -5.670 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.674 -6.844 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.267 -7.105 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.117 -4.161 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.234 -5.536 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.598 -4.233 -0.603 1.00 0.00 H new ATOM 45 N GLU A 4 3.901 -6.791 -5.092 1.00 0.00 N ATOM 46 CA GLU A 4 4.070 -7.663 -6.249 1.00 0.00 C ATOM 47 C GLU A 4 4.838 -8.926 -5.872 1.00 0.00 C ATOM 48 O GLU A 4 4.791 -9.929 -6.584 1.00 0.00 O ATOM 49 CB GLU A 4 4.801 -6.923 -7.371 1.00 0.00 C ATOM 50 CG GLU A 4 6.286 -6.732 -7.107 1.00 0.00 C ATOM 51 CD GLU A 4 6.752 -5.318 -7.395 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.045 -4.367 -7.001 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.826 -5.163 -8.014 1.00 0.00 O ATOM 0 H GLU A 4 4.676 -6.148 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 4 3.080 -7.953 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.674 -7.475 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.337 -5.947 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.501 -6.977 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.853 -7.430 -7.722 1.00 0.00 H new ATOM 60 N ILE A 5 5.546 -8.867 -4.749 1.00 0.00 N ATOM 61 CA ILE A 5 6.324 -10.005 -4.277 1.00 0.00 C ATOM 62 C ILE A 5 5.424 -11.068 -3.657 1.00 0.00 C ATOM 63 O ILE A 5 5.827 -12.219 -3.491 1.00 0.00 O ATOM 64 CB ILE A 5 7.380 -9.575 -3.241 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.174 -10.789 -2.755 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.714 -8.868 -2.070 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.773 -11.608 -3.878 1.00 0.00 C ATOM 0 H ILE A 5 5.597 -8.043 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 5 6.830 -10.423 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 5 8.072 -8.879 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.974 -10.450 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.520 -11.426 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.472 -8.570 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.189 -7.984 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.003 -9.543 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.322 -12.452 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.976 -11.977 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.453 -10.986 -4.460 1.00 0.00 H new ATOM 79 N PHE A 6 4.200 -10.675 -3.319 1.00 0.00 N ATOM 80 CA PHE A 6 3.240 -11.594 -2.718 1.00 0.00 C ATOM 81 C PHE A 6 3.032 -11.273 -1.241 1.00 0.00 C ATOM 82 O PHE A 6 2.714 -12.154 -0.441 1.00 0.00 O ATOM 83 CB PHE A 6 3.719 -13.039 -2.876 1.00 0.00 C ATOM 84 CG PHE A 6 4.546 -13.526 -1.720 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.397 -12.663 -1.048 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.471 -14.846 -1.305 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.160 -13.109 0.015 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.230 -15.297 -0.242 1.00 0.00 C ATOM 89 CZ PHE A 6 6.075 -14.427 0.419 1.00 0.00 C ATOM 0 H PHE A 6 3.850 -9.726 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 6 2.288 -11.476 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.853 -13.690 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.305 -13.121 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.465 -11.631 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.812 -15.530 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.822 -12.428 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.163 -16.328 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.668 -14.777 1.251 1.00 0.00 H new ATOM 99 N LYS A 7 3.212 -10.006 -0.886 1.00 0.00 N ATOM 100 CA LYS A 7 3.044 -9.566 0.494 1.00 0.00 C ATOM 101 C LYS A 7 1.569 -9.553 0.884 1.00 0.00 C ATOM 102 O LYS A 7 0.706 -9.217 0.074 1.00 0.00 O ATOM 103 CB LYS A 7 3.645 -8.172 0.683 1.00 0.00 C ATOM 104 CG LYS A 7 4.374 -7.998 2.005 1.00 0.00 C ATOM 105 CD LYS A 7 5.799 -8.519 1.929 1.00 0.00 C ATOM 106 CE LYS A 7 6.560 -8.252 3.219 1.00 0.00 C ATOM 107 NZ LYS A 7 6.286 -9.292 4.249 1.00 0.00 N ATOM 0 H LYS A 7 3.475 -9.265 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 7 3.567 -10.271 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.338 -7.970 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.849 -7.430 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.386 -6.943 2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.834 -8.526 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.786 -9.590 1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.317 -8.045 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.629 -8.220 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.282 -7.273 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.823 -9.075 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.269 -9.305 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.575 -10.223 3.887 1.00 0.00 H new ATOM 121 N ALA A 8 1.289 -9.918 2.131 1.00 0.00 N ATOM 122 CA ALA A 8 -0.081 -9.944 2.629 1.00 0.00 C ATOM 123 C ALA A 8 -0.810 -8.646 2.300 1.00 0.00 C ATOM 124 O ALA A 8 -0.476 -7.584 2.826 1.00 0.00 O ATOM 125 CB ALA A 8 -0.091 -10.192 4.131 1.00 0.00 C ATOM 0 H ALA A 8 1.992 -10.200 2.814 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.607 -10.760 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.120 -10.209 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.384 -11.150 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.456 -9.395 4.635 1.00 0.00 H new ATOM 131 N CYS A 9 -1.807 -8.738 1.426 1.00 0.00 N ATOM 132 CA CYS A 9 -2.583 -7.571 1.025 1.00 0.00 C ATOM 133 C CYS A 9 -3.749 -7.338 1.982 1.00 0.00 C ATOM 134 O CYS A 9 -4.290 -8.281 2.558 1.00 0.00 O ATOM 135 CB CYS A 9 -3.107 -7.746 -0.401 1.00 0.00 C ATOM 136 SG CYS A 9 -4.923 -7.809 -0.524 1.00 0.00 S ATOM 0 H CYS A 9 -2.096 -9.609 0.982 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.928 -6.701 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.740 -6.923 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.693 -8.664 -0.818 1.00 0.00 H new ATOM 141 N ASN A 10 -4.129 -6.075 2.146 1.00 0.00 N ATOM 142 CA ASN A 10 -5.231 -5.718 3.033 1.00 0.00 C ATOM 143 C ASN A 10 -6.543 -5.626 2.260 1.00 0.00 C ATOM 144 O ASN A 10 -6.572 -5.299 1.074 1.00 0.00 O ATOM 145 CB ASN A 10 -4.941 -4.387 3.729 1.00 0.00 C ATOM 146 CG ASN A 10 -4.143 -4.563 5.006 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.253 -5.410 5.083 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.460 -3.763 6.017 1.00 0.00 N ATOM 0 H ASN A 10 -3.691 -5.282 1.677 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.328 -6.500 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.392 -3.736 3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.882 -3.888 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.958 -3.836 6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.205 -3.075 5.909 1.00 0.00 H new ATOM 155 N PRO A 11 -7.656 -5.920 2.948 1.00 0.00 N ATOM 156 CA PRO A 11 -8.993 -5.877 2.347 1.00 0.00 C ATOM 157 C PRO A 11 -9.443 -4.453 2.038 1.00 0.00 C ATOM 158 O PRO A 11 -9.931 -4.171 0.943 1.00 0.00 O ATOM 159 CB PRO A 11 -9.886 -6.498 3.424 1.00 0.00 C ATOM 160 CG PRO A 11 -9.160 -6.258 4.703 1.00 0.00 C ATOM 161 CD PRO A 11 -7.696 -6.318 4.366 1.00 0.00 C ATOM 0 HA PRO A 11 -9.028 -6.400 1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.873 -6.035 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.036 -7.563 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.424 -5.288 5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.420 -7.011 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.112 -5.642 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.290 -7.319 4.514 1.00 0.00 H new ATOM 169 N SER A 12 -9.276 -3.560 3.008 1.00 0.00 N ATOM 170 CA SER A 12 -9.668 -2.166 2.839 1.00 0.00 C ATOM 171 C SER A 12 -8.486 -1.321 2.372 1.00 0.00 C ATOM 172 O SER A 12 -8.566 -0.629 1.359 1.00 0.00 O ATOM 173 CB SER A 12 -10.222 -1.607 4.151 1.00 0.00 C ATOM 174 OG SER A 12 -11.431 -2.254 4.511 1.00 0.00 O ATOM 0 H SER A 12 -8.872 -3.777 3.919 1.00 0.00 H new ATOM 0 HA SER A 12 -10.446 -2.124 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.486 -1.737 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.396 -0.536 4.049 1.00 0.00 H new ATOM 0 HG SER A 12 -11.764 -1.880 5.354 1.00 0.00 H new ATOM 180 N ASN A 13 -7.389 -1.385 3.120 1.00 0.00 N ATOM 181 CA ASN A 13 -6.190 -0.626 2.785 1.00 0.00 C ATOM 182 C ASN A 13 -5.599 -1.101 1.461 1.00 0.00 C ATOM 183 O ASN A 13 -4.787 -2.026 1.428 1.00 0.00 O ATOM 184 CB ASN A 13 -5.149 -0.759 3.898 1.00 0.00 C ATOM 185 CG ASN A 13 -5.748 -0.560 5.277 1.00 0.00 C ATOM 186 OD1 ASN A 13 -6.504 -1.400 5.765 1.00 0.00 O ATOM 187 ND2 ASN A 13 -5.412 0.557 5.912 1.00 0.00 N ATOM 0 H ASN A 13 -7.306 -1.955 3.962 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.470 0.422 2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.688 -1.745 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.357 -0.027 3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.784 0.746 6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.782 1.226 5.469 1.00 0.00 H new ATOM 194 N ASP A 14 -6.011 -0.461 0.372 1.00 0.00 N ATOM 195 CA ASP A 14 -5.522 -0.816 -0.955 1.00 0.00 C ATOM 196 C ASP A 14 -3.998 -0.755 -1.006 1.00 0.00 C ATOM 197 O ASP A 14 -3.408 0.321 -0.921 1.00 0.00 O ATOM 198 CB ASP A 14 -6.117 0.119 -2.009 1.00 0.00 C ATOM 199 CG ASP A 14 -5.810 1.577 -1.729 1.00 0.00 C ATOM 200 OD1 ASP A 14 -6.365 2.124 -0.753 1.00 0.00 O ATOM 201 OD2 ASP A 14 -5.014 2.171 -2.486 1.00 0.00 O ATOM 0 H ASP A 14 -6.683 0.307 0.382 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.835 -1.838 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.727 -0.149 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.197 -0.021 -2.046 1.00 0.00 H new ATOM 206 N GLN A 15 -3.369 -1.918 -1.144 1.00 0.00 N ATOM 207 CA GLN A 15 -1.915 -1.997 -1.205 1.00 0.00 C ATOM 208 C GLN A 15 -1.439 -2.181 -2.642 1.00 0.00 C ATOM 209 O GLN A 15 -0.768 -1.313 -3.201 1.00 0.00 O ATOM 210 CB GLN A 15 -1.408 -3.149 -0.335 1.00 0.00 C ATOM 211 CG GLN A 15 -1.343 -2.811 1.146 1.00 0.00 C ATOM 212 CD GLN A 15 -0.397 -3.715 1.910 1.00 0.00 C ATOM 213 OE1 GLN A 15 0.766 -3.374 2.127 1.00 0.00 O ATOM 214 NE2 GLN A 15 -0.890 -4.877 2.322 1.00 0.00 N ATOM 0 H GLN A 15 -3.844 -2.818 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.510 -1.059 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.059 -4.012 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.415 -3.441 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.025 -1.775 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.341 -2.889 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.860 -5.120 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.299 -5.527 2.840 1.00 0.00 H new ATOM 223 N CYS A 16 -1.789 -3.318 -3.234 1.00 0.00 N ATOM 224 CA CYS A 16 -1.398 -3.618 -4.606 1.00 0.00 C ATOM 225 C CYS A 16 -1.517 -2.379 -5.489 1.00 0.00 C ATOM 226 O CYS A 16 -2.354 -1.509 -5.248 1.00 0.00 O ATOM 227 CB CYS A 16 -2.264 -4.745 -5.171 1.00 0.00 C ATOM 228 SG CYS A 16 -2.691 -6.034 -3.957 1.00 0.00 S ATOM 0 H CYS A 16 -2.343 -4.047 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.356 -3.939 -4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.184 -4.317 -5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.739 -5.208 -6.007 1.00 0.00 H new ATOM 233 N CYS A 17 -0.673 -2.306 -6.513 1.00 0.00 N ATOM 234 CA CYS A 17 -0.682 -1.175 -7.433 1.00 0.00 C ATOM 235 C CYS A 17 -1.950 -1.173 -8.281 1.00 0.00 C ATOM 236 O CYS A 17 -2.853 -1.983 -8.070 1.00 0.00 O ATOM 237 CB CYS A 17 0.550 -1.217 -8.339 1.00 0.00 C ATOM 238 SG CYS A 17 1.845 -0.017 -7.890 1.00 0.00 S ATOM 0 H CYS A 17 0.026 -3.017 -6.727 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.659 -0.259 -6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.974 -2.221 -8.311 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.238 -1.031 -9.367 1.00 0.00 H new ATOM 243 N LYS A 18 -2.012 -0.258 -9.242 1.00 0.00 N ATOM 244 CA LYS A 18 -3.167 -0.150 -10.124 1.00 0.00 C ATOM 245 C LYS A 18 -2.911 -0.866 -11.447 1.00 0.00 C ATOM 246 O LYS A 18 -3.401 -1.974 -11.669 1.00 0.00 O ATOM 247 CB LYS A 18 -3.501 1.320 -10.385 1.00 0.00 C ATOM 248 CG LYS A 18 -4.407 1.934 -9.331 1.00 0.00 C ATOM 249 CD LYS A 18 -3.693 2.079 -7.998 1.00 0.00 C ATOM 250 CE LYS A 18 -4.542 2.838 -6.990 1.00 0.00 C ATOM 251 NZ LYS A 18 -5.806 2.116 -6.675 1.00 0.00 N ATOM 0 H LYS A 18 -1.274 0.421 -9.430 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.014 -0.627 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.574 1.892 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.980 1.408 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.750 2.912 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.293 1.312 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.454 1.092 -7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.748 2.601 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.971 2.988 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.777 3.827 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.308 2.612 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.408 2.085 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.585 1.146 -6.371 1.00 0.00 H new ATOM 265 N SER A 19 -2.140 -0.227 -12.321 1.00 0.00 N ATOM 266 CA SER A 19 -1.821 -0.802 -13.622 1.00 0.00 C ATOM 267 C SER A 19 -1.113 -2.145 -13.464 1.00 0.00 C ATOM 268 O SER A 19 -1.131 -2.979 -14.369 1.00 0.00 O ATOM 269 CB SER A 19 -0.943 0.158 -14.426 1.00 0.00 C ATOM 270 OG SER A 19 0.063 0.734 -13.611 1.00 0.00 O ATOM 0 H SER A 19 -1.725 0.689 -12.152 1.00 0.00 H new ATOM 0 HA SER A 19 -2.756 -0.964 -14.159 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.481 -0.376 -15.256 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.561 0.946 -14.858 1.00 0.00 H new ATOM 0 HG SER A 19 0.612 1.342 -14.149 1.00 0.00 H new ATOM 276 N SER A 20 -0.491 -2.345 -12.307 1.00 0.00 N ATOM 277 CA SER A 20 0.227 -3.584 -12.030 1.00 0.00 C ATOM 278 C SER A 20 -0.718 -4.781 -12.074 1.00 0.00 C ATOM 279 O SER A 20 -1.909 -4.658 -11.787 1.00 0.00 O ATOM 280 CB SER A 20 0.908 -3.509 -10.662 1.00 0.00 C ATOM 281 OG SER A 20 1.703 -2.341 -10.551 1.00 0.00 O ATOM 0 H SER A 20 -0.469 -1.666 -11.546 1.00 0.00 H new ATOM 0 HA SER A 20 0.987 -3.714 -12.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.153 -3.515 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.530 -4.392 -10.513 1.00 0.00 H new ATOM 0 HG SER A 20 2.391 -2.477 -9.866 1.00 0.00 H new ATOM 287 N LYS A 21 -0.178 -5.940 -12.437 1.00 0.00 N ATOM 288 CA LYS A 21 -0.970 -7.161 -12.520 1.00 0.00 C ATOM 289 C LYS A 21 -1.073 -7.836 -11.156 1.00 0.00 C ATOM 290 O LYS A 21 -1.971 -8.645 -10.918 1.00 0.00 O ATOM 291 CB LYS A 21 -0.352 -8.127 -13.533 1.00 0.00 C ATOM 292 CG LYS A 21 -0.943 -8.006 -14.927 1.00 0.00 C ATOM 293 CD LYS A 21 -0.350 -6.829 -15.683 1.00 0.00 C ATOM 294 CE LYS A 21 -0.414 -7.044 -17.188 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.770 -6.757 -17.732 1.00 0.00 N ATOM 0 H LYS A 21 0.806 -6.059 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.973 -6.892 -12.850 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.722 -7.947 -13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.487 -9.149 -13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.760 -8.926 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.024 -7.887 -14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.889 -5.918 -15.421 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.687 -6.685 -15.379 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.317 -6.401 -17.678 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.140 -8.073 -17.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.772 -6.915 -18.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.465 -7.387 -17.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.021 -5.768 -17.533 1.00 0.00 H new ATOM 309 N LEU A 22 -0.150 -7.498 -10.262 1.00 0.00 N ATOM 310 CA LEU A 22 -0.138 -8.070 -8.920 1.00 0.00 C ATOM 311 C LEU A 22 -1.555 -8.202 -8.372 1.00 0.00 C ATOM 312 O LEU A 22 -2.179 -7.212 -7.990 1.00 0.00 O ATOM 313 CB LEU A 22 0.705 -7.203 -7.983 1.00 0.00 C ATOM 314 CG LEU A 22 1.276 -5.920 -8.587 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.542 -4.890 -7.500 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.550 -6.218 -9.365 1.00 0.00 C ATOM 0 H LEU A 22 0.600 -6.831 -10.442 1.00 0.00 H new ATOM 0 HA LEU A 22 0.303 -9.065 -8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.094 -6.934 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.534 -7.805 -7.611 1.00 0.00 H new ATOM 0 HG LEU A 22 0.540 -5.507 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.948 -3.984 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.610 -4.654 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.259 -5.293 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.943 -5.293 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.291 -6.654 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.329 -6.920 -10.169 1.00 0.00 H new ATOM 328 N VAL A 23 -2.057 -9.433 -8.335 1.00 0.00 N ATOM 329 CA VAL A 23 -3.399 -9.696 -7.830 1.00 0.00 C ATOM 330 C VAL A 23 -3.354 -10.241 -6.407 1.00 0.00 C ATOM 331 O VAL A 23 -2.441 -10.983 -6.043 1.00 0.00 O ATOM 332 CB VAL A 23 -4.150 -10.697 -8.728 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.398 -12.016 -8.803 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.568 -10.910 -8.217 1.00 0.00 C ATOM 0 H VAL A 23 -1.554 -10.263 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.931 -8.745 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.209 -10.283 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.944 -12.710 -9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.405 -11.845 -9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.305 -12.439 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.085 -11.620 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.533 -11.303 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.103 -9.960 -8.221 1.00 0.00 H new ATOM 344 N CYS A 24 -4.346 -9.868 -5.605 1.00 0.00 N ATOM 345 CA CYS A 24 -4.421 -10.319 -4.221 1.00 0.00 C ATOM 346 C CYS A 24 -5.713 -11.091 -3.969 1.00 0.00 C ATOM 347 O CYS A 24 -5.763 -11.977 -3.116 1.00 0.00 O ATOM 348 CB CYS A 24 -4.335 -9.125 -3.268 1.00 0.00 C ATOM 349 SG CYS A 24 -5.423 -9.254 -1.813 1.00 0.00 S ATOM 0 H CYS A 24 -5.109 -9.254 -5.890 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.578 -10.985 -4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.305 -9.018 -2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.586 -8.217 -3.817 1.00 0.00 H new ATOM 354 N SER A 25 -6.756 -10.749 -4.719 1.00 0.00 N ATOM 355 CA SER A 25 -8.049 -11.408 -4.576 1.00 0.00 C ATOM 356 C SER A 25 -8.009 -12.817 -5.160 1.00 0.00 C ATOM 357 O SER A 25 -8.272 -13.797 -4.463 1.00 0.00 O ATOM 358 CB SER A 25 -9.141 -10.588 -5.266 1.00 0.00 C ATOM 359 OG SER A 25 -10.365 -11.301 -5.306 1.00 0.00 O ATOM 0 H SER A 25 -6.731 -10.020 -5.432 1.00 0.00 H new ATOM 0 HA SER A 25 -8.276 -11.481 -3.513 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.282 -9.646 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.828 -10.340 -6.280 1.00 0.00 H new ATOM 0 HG SER A 25 -11.047 -10.755 -5.750 1.00 0.00 H new ATOM 365 N ARG A 26 -7.679 -12.909 -6.444 1.00 0.00 N ATOM 366 CA ARG A 26 -7.606 -14.197 -7.124 1.00 0.00 C ATOM 367 C ARG A 26 -6.858 -15.219 -6.272 1.00 0.00 C ATOM 368 O ARG A 26 -7.371 -16.301 -5.989 1.00 0.00 O ATOM 369 CB ARG A 26 -6.915 -14.043 -8.480 1.00 0.00 C ATOM 370 CG ARG A 26 -7.781 -13.369 -9.532 1.00 0.00 C ATOM 371 CD ARG A 26 -7.108 -13.377 -10.895 1.00 0.00 C ATOM 372 NE ARG A 26 -7.998 -12.893 -11.947 1.00 0.00 N ATOM 373 CZ ARG A 26 -8.286 -11.609 -12.133 1.00 0.00 C ATOM 374 NH1 ARG A 26 -7.757 -10.686 -11.342 1.00 0.00 N ATOM 375 NH2 ARG A 26 -9.105 -11.247 -13.113 1.00 0.00 N ATOM 0 H ARG A 26 -7.458 -12.107 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.623 -14.556 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.001 -13.464 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.619 -15.028 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.742 -13.880 -9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.986 -12.341 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.214 -12.754 -10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.783 -14.390 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.422 -13.578 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.127 -10.961 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.980 -9.701 -11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.514 -11.954 -13.724 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.326 -10.261 -13.255 1.00 0.00 H new ATOM 389 N LYS A 27 -5.642 -14.867 -5.868 1.00 0.00 N ATOM 390 CA LYS A 27 -4.822 -15.752 -5.048 1.00 0.00 C ATOM 391 C LYS A 27 -4.988 -15.430 -3.567 1.00 0.00 C ATOM 392 O LYS A 27 -5.819 -14.603 -3.189 1.00 0.00 O ATOM 393 CB LYS A 27 -3.349 -15.629 -5.446 1.00 0.00 C ATOM 394 CG LYS A 27 -2.967 -16.491 -6.637 1.00 0.00 C ATOM 395 CD LYS A 27 -3.702 -16.061 -7.895 1.00 0.00 C ATOM 396 CE LYS A 27 -3.189 -16.801 -9.121 1.00 0.00 C ATOM 397 NZ LYS A 27 -2.134 -16.029 -9.834 1.00 0.00 N ATOM 0 H LYS A 27 -5.202 -13.975 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.154 -16.776 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.130 -14.587 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.727 -15.904 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.892 -16.428 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.195 -17.535 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.769 -16.248 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.581 -14.987 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.789 -17.769 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.018 -16.996 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.811 -16.567 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.522 -15.115 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.331 -15.865 -9.193 1.00 0.00 H new ATOM 411 N THR A 28 -4.192 -16.088 -2.730 1.00 0.00 N ATOM 412 CA THR A 28 -4.251 -15.872 -1.290 1.00 0.00 C ATOM 413 C THR A 28 -4.181 -14.387 -0.953 1.00 0.00 C ATOM 414 O THR A 28 -3.970 -13.551 -1.832 1.00 0.00 O ATOM 415 CB THR A 28 -3.107 -16.606 -0.565 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.583 -17.644 -1.400 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.592 -17.201 0.749 1.00 0.00 C ATOM 0 H THR A 28 -3.499 -16.775 -3.025 1.00 0.00 H new ATOM 0 HA THR A 28 -5.205 -16.274 -0.949 1.00 0.00 H new ATOM 0 HB THR A 28 -2.321 -15.883 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.855 -18.104 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.767 -17.714 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.962 -16.404 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.395 -17.911 0.552 1.00 0.00 H new ATOM 425 N ARG A 29 -4.359 -14.065 0.324 1.00 0.00 N ATOM 426 CA ARG A 29 -4.316 -12.680 0.776 1.00 0.00 C ATOM 427 C ARG A 29 -3.090 -11.964 0.218 1.00 0.00 C ATOM 428 O ARG A 29 -3.084 -10.741 0.076 1.00 0.00 O ATOM 429 CB ARG A 29 -4.303 -12.620 2.304 1.00 0.00 C ATOM 430 CG ARG A 29 -5.688 -12.687 2.928 1.00 0.00 C ATOM 431 CD ARG A 29 -6.182 -14.121 3.036 1.00 0.00 C ATOM 432 NE ARG A 29 -5.378 -14.909 3.966 1.00 0.00 N ATOM 433 CZ ARG A 29 -5.483 -16.227 4.094 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.354 -16.900 3.356 1.00 0.00 N ATOM 435 NH2 ARG A 29 -4.716 -16.873 4.963 1.00 0.00 N ATOM 0 H ARG A 29 -4.534 -14.745 1.064 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.209 -12.176 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.701 -13.444 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.816 -11.697 2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.664 -12.234 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.387 -12.104 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.221 -14.122 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.158 -14.588 2.051 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.699 -14.421 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.946 -16.406 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.433 -17.912 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.045 -16.358 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.797 -17.885 5.061 1.00 0.00 H new ATOM 449 N ALA A 30 -2.054 -12.733 -0.098 1.00 0.00 N ATOM 450 CA ALA A 30 -0.823 -12.173 -0.641 1.00 0.00 C ATOM 451 C ALA A 30 -1.036 -11.654 -2.060 1.00 0.00 C ATOM 452 O ALA A 30 -1.694 -12.300 -2.876 1.00 0.00 O ATOM 453 CB ALA A 30 0.286 -13.214 -0.619 1.00 0.00 C ATOM 0 H ALA A 30 -2.043 -13.747 0.013 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.528 -11.332 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.199 -12.781 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.464 -13.534 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.009 -14.073 -1.221 1.00 0.00 H new ATOM 459 N CYS A 31 -0.476 -10.484 -2.347 1.00 0.00 N ATOM 460 CA CYS A 31 -0.605 -9.877 -3.666 1.00 0.00 C ATOM 461 C CYS A 31 0.652 -10.113 -4.499 1.00 0.00 C ATOM 462 O CYS A 31 1.743 -9.669 -4.138 1.00 0.00 O ATOM 463 CB CYS A 31 -0.869 -8.376 -3.536 1.00 0.00 C ATOM 464 SG CYS A 31 -1.999 -7.708 -4.800 1.00 0.00 S ATOM 0 H CYS A 31 0.072 -9.937 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.449 -10.345 -4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.286 -8.175 -2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.081 -7.844 -3.595 1.00 0.00 H new ATOM 469 N LYS A 32 0.492 -10.815 -5.616 1.00 0.00 N ATOM 470 CA LYS A 32 1.612 -11.110 -6.502 1.00 0.00 C ATOM 471 C LYS A 32 1.156 -11.159 -7.957 1.00 0.00 C ATOM 472 O LYS A 32 0.013 -11.511 -8.247 1.00 0.00 O ATOM 473 CB LYS A 32 2.260 -12.441 -6.113 1.00 0.00 C ATOM 474 CG LYS A 32 1.456 -13.656 -6.542 1.00 0.00 C ATOM 475 CD LYS A 32 1.220 -14.607 -5.381 1.00 0.00 C ATOM 476 CE LYS A 32 2.136 -15.819 -5.458 1.00 0.00 C ATOM 477 NZ LYS A 32 3.378 -15.628 -4.657 1.00 0.00 N ATOM 0 H LYS A 32 -0.403 -11.190 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 32 2.347 -10.312 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.253 -12.496 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.395 -12.468 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.498 -13.334 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.983 -14.179 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.387 -14.083 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.180 -14.935 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.604 -16.700 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.400 -16.009 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.020 -16.430 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.847 -14.746 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.135 -15.574 -3.647 1.00 0.00 H new ATOM 491 N TYR A 33 2.057 -10.806 -8.866 1.00 0.00 N ATOM 492 CA TYR A 33 1.747 -10.810 -10.291 1.00 0.00 C ATOM 493 C TYR A 33 1.425 -12.220 -10.775 1.00 0.00 C ATOM 494 O TYR A 33 2.187 -13.157 -10.541 1.00 0.00 O ATOM 495 CB TYR A 33 2.920 -10.240 -11.091 1.00 0.00 C ATOM 496 CG TYR A 33 4.156 -11.108 -11.055 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.062 -11.018 -10.006 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.420 -12.019 -12.071 1.00 0.00 C ATOM 499 CE1 TYR A 33 6.194 -11.809 -9.969 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.548 -12.815 -12.042 1.00 0.00 C ATOM 501 CZ TYR A 33 6.433 -12.707 -10.989 1.00 0.00 C ATOM 502 OH TYR A 33 7.559 -13.497 -10.957 1.00 0.00 O ATOM 0 H TYR A 33 3.008 -10.513 -8.642 1.00 0.00 H new ATOM 0 HA TYR A 33 0.870 -10.183 -10.447 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.611 -10.106 -12.128 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.168 -9.253 -10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.878 -10.317 -9.205 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.731 -12.106 -12.898 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.888 -11.725 -9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.737 -13.518 -12.839 1.00 0.00 H new ATOM 0 HH TYR A 33 7.576 -14.074 -11.749 1.00 0.00 H new ATOM 512 N GLN A 34 0.289 -12.362 -11.451 1.00 0.00 N ATOM 513 CA GLN A 34 -0.135 -13.657 -11.968 1.00 0.00 C ATOM 514 C GLN A 34 0.879 -14.203 -12.968 1.00 0.00 C ATOM 515 O GLN A 34 1.542 -13.441 -13.674 1.00 0.00 O ATOM 516 CB GLN A 34 -1.509 -13.541 -12.630 1.00 0.00 C ATOM 517 CG GLN A 34 -1.594 -12.430 -13.664 1.00 0.00 C ATOM 518 CD GLN A 34 -2.584 -11.348 -13.279 1.00 0.00 C ATOM 519 OE1 GLN A 34 -2.869 -11.144 -12.098 1.00 0.00 O ATOM 520 NE2 GLN A 34 -3.114 -10.648 -14.275 1.00 0.00 N ATOM 0 H GLN A 34 -0.354 -11.596 -11.653 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.201 -14.350 -11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.754 -14.490 -13.107 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.261 -13.368 -11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.608 -11.985 -13.795 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.882 -12.855 -14.625 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.849 -10.851 -15.239 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.786 -9.907 -14.076 1.00 0.00 H new ATOM 529 N ILE A 35 0.996 -15.525 -13.023 1.00 0.00 N ATOM 530 CA ILE A 35 1.929 -16.172 -13.937 1.00 0.00 C ATOM 531 C ILE A 35 1.234 -16.588 -15.229 1.00 0.00 C ATOM 532 O ILE A 35 1.741 -16.348 -16.325 1.00 0.00 O ATOM 533 CB ILE A 35 2.579 -17.412 -13.295 1.00 0.00 C ATOM 534 CG1 ILE A 35 3.221 -17.042 -11.956 1.00 0.00 C ATOM 535 CG2 ILE A 35 3.612 -18.015 -14.235 1.00 0.00 C ATOM 536 CD1 ILE A 35 2.301 -17.237 -10.771 1.00 0.00 C ATOM 0 H ILE A 35 0.456 -16.169 -12.445 1.00 0.00 H new ATOM 0 HA ILE A 35 2.706 -15.441 -14.164 1.00 0.00 H new ATOM 0 HB ILE A 35 1.804 -18.157 -13.112 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.117 -17.645 -11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.540 -16.000 -11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.063 -18.890 -13.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.128 -18.310 -15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.386 -17.277 -14.446 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.822 -16.955 -9.856 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.415 -16.613 -10.891 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.002 -18.283 -10.711 1.00 0.00 H new TER 548 ILE A 35