USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 358 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 41 GLN : amide:sc= 1.28 K(o=2.5,f=-2.4) USER MOD Set 1.2: A 42 TYR OH : rot -39:sc= 1.23 USER MOD Set 2.1: A 24 MET CE :methyl 172:sc= -0.0105 (180deg=-0.0802) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0513) USER MOD Set 3.1: A 19 GLN : amide:sc= 0.0715! C(o=1.2!,f=-4.4!) USER MOD Set 3.2: A 23 TYR OH : rot -15:sc= 1.18 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.785 K(o=1.4,f=0.74) USER MOD Set 4.2: A 12 CYS SG : rot 84:sc= 0.601 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 0.482 (180deg=0.389) USER MOD Single : A 10 GLN : amide:sc= 0.882 K(o=0.88,f=-4.3!) USER MOD Single : A 15 GLN : amide:sc= 1.04 K(o=1,f=-0.013) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.651) USER MOD Single : A 21 ASN : amide:sc= 1.16 K(o=1.2,f=-0.059) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 29 GLN : amide:sc= 1.43 K(o=1.4,f=-0.17) USER MOD Single : A 33 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.1!) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0181) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= -0.08 (180deg=-0.362) USER MOD Single : A 47 SER OG : rot 101:sc= 1.19 USER MOD Single : A 51 SER OG : rot 95:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 8.821 10.252 1.148 1.00 0.00 N ATOM 74 CA ASP A 5 7.692 9.478 0.683 1.00 0.00 C ATOM 75 C ASP A 5 7.434 8.407 1.753 1.00 0.00 C ATOM 76 O ASP A 5 8.169 7.420 1.781 1.00 0.00 O ATOM 77 CB ASP A 5 8.014 8.875 -0.695 1.00 0.00 C ATOM 78 CG ASP A 5 6.839 8.111 -1.302 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.062 7.474 -0.554 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.688 8.179 -2.541 1.00 0.00 O ATOM 0 HA ASP A 5 6.795 10.082 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.311 9.674 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.867 8.203 -0.601 1.00 0.00 H new ATOM 85 N PRO A 6 6.457 8.583 2.666 1.00 0.00 N ATOM 86 CA PRO A 6 6.272 7.704 3.822 1.00 0.00 C ATOM 87 C PRO A 6 6.003 6.259 3.404 1.00 0.00 C ATOM 88 O PRO A 6 6.495 5.315 4.016 1.00 0.00 O ATOM 89 CB PRO A 6 5.066 8.261 4.591 1.00 0.00 C ATOM 90 CG PRO A 6 4.905 9.683 4.065 1.00 0.00 C ATOM 91 CD PRO A 6 5.388 9.563 2.626 1.00 0.00 C ATOM 0 HA PRO A 6 7.176 7.685 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.170 7.667 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.242 8.253 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.870 10.020 4.118 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.502 10.396 4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.583 9.241 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.746 10.521 2.249 1.00 0.00 H new ATOM 99 N CYS A 7 5.249 6.106 2.314 1.00 0.00 N ATOM 100 CA CYS A 7 4.663 4.862 1.876 1.00 0.00 C ATOM 101 C CYS A 7 5.543 4.101 0.907 1.00 0.00 C ATOM 102 O CYS A 7 5.274 2.932 0.621 1.00 0.00 O ATOM 103 CB CYS A 7 3.340 5.209 1.209 1.00 0.00 C ATOM 104 SG CYS A 7 2.090 5.822 2.374 1.00 0.00 S ATOM 0 H CYS A 7 5.028 6.885 1.694 1.00 0.00 H new ATOM 0 HA CYS A 7 4.532 4.208 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.514 5.964 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.953 4.325 0.703 1.00 0.00 H new ATOM 106 N GLN A 8 6.621 4.727 0.429 1.00 0.00 N ATOM 107 CA GLN A 8 7.623 4.065 -0.364 1.00 0.00 C ATOM 108 C GLN A 8 8.244 2.904 0.432 1.00 0.00 C ATOM 109 O GLN A 8 8.669 1.920 -0.179 1.00 0.00 O ATOM 110 CB GLN A 8 8.591 5.147 -0.848 1.00 0.00 C ATOM 111 CG GLN A 8 9.825 4.604 -1.543 1.00 0.00 C ATOM 112 CD GLN A 8 9.515 3.918 -2.874 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.516 4.547 -3.923 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.227 2.624 -2.854 1.00 0.00 N ATOM 0 H GLN A 8 6.811 5.716 0.591 1.00 0.00 H new ATOM 0 HA GLN A 8 7.221 3.578 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.064 5.812 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.903 5.750 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.525 5.421 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.323 3.894 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.231 2.114 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.002 2.138 -3.722 1.00 0.00 H new ATOM 123 N LYS A 9 8.219 2.973 1.772 1.00 0.00 N ATOM 124 CA LYS A 9 8.518 1.868 2.667 1.00 0.00 C ATOM 125 C LYS A 9 7.598 0.699 2.341 1.00 0.00 C ATOM 126 O LYS A 9 8.073 -0.362 1.949 1.00 0.00 O ATOM 127 CB LYS A 9 8.339 2.319 4.129 1.00 0.00 C ATOM 128 CG LYS A 9 8.528 1.205 5.175 1.00 0.00 C ATOM 129 CD LYS A 9 9.871 0.471 5.067 1.00 0.00 C ATOM 130 CE LYS A 9 9.997 -0.544 6.203 1.00 0.00 C ATOM 131 NZ LYS A 9 11.228 -1.345 6.076 1.00 0.00 N ATOM 0 H LYS A 9 7.981 3.832 2.269 1.00 0.00 H new ATOM 0 HA LYS A 9 9.552 1.549 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.050 3.119 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.341 2.741 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.441 1.638 6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.720 0.481 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.943 -0.035 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.692 1.186 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.998 -0.023 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.130 -1.204 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.398 -1.862 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.122 -2.023 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.033 -0.716 5.882 1.00 0.00 H new ATOM 145 N GLN A 10 6.286 0.890 2.482 1.00 0.00 N ATOM 146 CA GLN A 10 5.300 -0.158 2.257 1.00 0.00 C ATOM 147 C GLN A 10 5.420 -0.705 0.833 1.00 0.00 C ATOM 148 O GLN A 10 5.406 -1.919 0.663 1.00 0.00 O ATOM 149 CB GLN A 10 3.872 0.332 2.544 1.00 0.00 C ATOM 150 CG GLN A 10 3.504 0.371 4.031 1.00 0.00 C ATOM 151 CD GLN A 10 4.283 1.397 4.843 1.00 0.00 C ATOM 152 OE1 GLN A 10 4.747 2.406 4.325 1.00 0.00 O ATOM 153 NE2 GLN A 10 4.446 1.154 6.132 1.00 0.00 N ATOM 0 H GLN A 10 5.879 1.784 2.758 1.00 0.00 H new ATOM 0 HA GLN A 10 5.507 -0.967 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.753 1.332 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.167 -0.317 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.439 0.584 4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.670 -0.617 4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.052 0.309 6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.965 1.812 6.713 1.00 0.00 H new ATOM 162 N ALA A 11 5.604 0.165 -0.168 1.00 0.00 N ATOM 163 CA ALA A 11 5.846 -0.213 -1.560 1.00 0.00 C ATOM 164 C ALA A 11 7.068 -1.130 -1.713 1.00 0.00 C ATOM 165 O ALA A 11 7.008 -2.096 -2.478 1.00 0.00 O ATOM 166 CB ALA A 11 5.976 1.043 -2.418 1.00 0.00 C ATOM 0 H ALA A 11 5.588 1.175 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 11 4.990 -0.792 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.156 0.758 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.055 1.623 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.809 1.646 -2.057 1.00 0.00 H new ATOM 172 N CYS A 12 8.152 -0.859 -0.976 1.00 0.00 N ATOM 173 CA CYS A 12 9.296 -1.760 -0.870 1.00 0.00 C ATOM 174 C CYS A 12 8.907 -3.073 -0.188 1.00 0.00 C ATOM 175 O CYS A 12 9.293 -4.147 -0.655 1.00 0.00 O ATOM 176 CB CYS A 12 10.457 -1.124 -0.093 1.00 0.00 C ATOM 177 SG CYS A 12 11.155 0.289 -0.983 1.00 0.00 S ATOM 0 H CYS A 12 8.256 -0.001 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 12 9.623 -1.961 -1.890 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.106 -0.801 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.234 -1.869 0.076 1.00 0.00 H new ATOM 0 HG CYS A 12 10.458 1.354 -0.721 1.00 0.00 H new ATOM 182 N GLU A 13 8.153 -3.000 0.915 1.00 0.00 N ATOM 183 CA GLU A 13 7.730 -4.174 1.662 1.00 0.00 C ATOM 184 C GLU A 13 6.819 -5.076 0.838 1.00 0.00 C ATOM 185 O GLU A 13 6.842 -6.274 1.082 1.00 0.00 O ATOM 186 CB GLU A 13 7.055 -3.825 2.998 1.00 0.00 C ATOM 187 CG GLU A 13 7.947 -3.090 4.008 1.00 0.00 C ATOM 188 CD GLU A 13 9.328 -3.732 4.162 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.373 -4.885 4.645 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.316 -3.071 3.772 1.00 0.00 O ATOM 0 H GLU A 13 7.822 -2.120 1.310 1.00 0.00 H new ATOM 0 HA GLU A 13 8.647 -4.718 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.180 -3.208 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.696 -4.746 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.067 -2.054 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.450 -3.072 4.978 1.00 0.00 H new ATOM 197 N ILE A 14 6.079 -4.567 -0.157 1.00 0.00 N ATOM 198 CA ILE A 14 5.362 -5.422 -1.092 1.00 0.00 C ATOM 199 C ILE A 14 6.356 -6.366 -1.767 1.00 0.00 C ATOM 200 O ILE A 14 6.135 -7.576 -1.805 1.00 0.00 O ATOM 201 CB ILE A 14 4.603 -4.634 -2.162 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.814 -3.415 -1.707 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.683 -5.578 -2.944 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.863 -3.608 -0.551 1.00 0.00 C ATOM 0 H ILE A 14 5.966 -3.568 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 14 4.619 -5.978 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 14 5.395 -4.215 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.524 -2.634 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.242 -3.044 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.144 -5.013 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.280 -6.354 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.969 -6.039 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.365 -2.664 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.117 -4.358 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.419 -3.941 0.326 1.00 0.00 H new ATOM 216 N GLN A 15 7.450 -5.798 -2.292 1.00 0.00 N ATOM 217 CA GLN A 15 8.425 -6.537 -3.072 1.00 0.00 C ATOM 218 C GLN A 15 9.008 -7.648 -2.209 1.00 0.00 C ATOM 219 O GLN A 15 9.032 -8.802 -2.628 1.00 0.00 O ATOM 220 CB GLN A 15 9.546 -5.628 -3.622 1.00 0.00 C ATOM 221 CG GLN A 15 9.102 -4.280 -4.206 1.00 0.00 C ATOM 222 CD GLN A 15 7.885 -4.374 -5.124 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.851 -5.166 -6.057 1.00 0.00 O ATOM 224 NE2 GLN A 15 6.859 -3.575 -4.863 1.00 0.00 N ATOM 0 H GLN A 15 7.675 -4.809 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 15 7.919 -6.963 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.256 -5.435 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.082 -6.176 -4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.875 -3.597 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.932 -3.845 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.907 -2.922 -4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.022 -3.614 -5.444 1.00 0.00 H new ATOM 233 N LYS A 16 9.443 -7.299 -0.994 1.00 0.00 N ATOM 234 CA LYS A 16 10.087 -8.212 -0.060 1.00 0.00 C ATOM 235 C LYS A 16 9.099 -9.214 0.531 1.00 0.00 C ATOM 236 O LYS A 16 9.456 -10.386 0.659 1.00 0.00 O ATOM 237 CB LYS A 16 10.750 -7.393 1.059 1.00 0.00 C ATOM 238 CG LYS A 16 11.887 -6.488 0.551 1.00 0.00 C ATOM 239 CD LYS A 16 11.981 -5.199 1.384 1.00 0.00 C ATOM 240 CE LYS A 16 13.155 -4.311 0.955 1.00 0.00 C ATOM 241 NZ LYS A 16 13.058 -3.896 -0.458 1.00 0.00 N ATOM 0 H LYS A 16 9.352 -6.351 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 16 10.839 -8.787 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.994 -6.778 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.144 -8.073 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.834 -7.026 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.716 -6.237 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.051 -4.639 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.090 -5.457 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.188 -3.425 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.090 -4.849 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.610 -3.026 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.434 -4.650 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.062 -3.719 -0.700 1.00 0.00 H new ATOM 255 N CYS A 17 7.857 -8.796 0.817 1.00 0.00 N ATOM 256 CA CYS A 17 6.777 -9.703 1.175 1.00 0.00 C ATOM 257 C CYS A 17 6.668 -10.765 0.103 1.00 0.00 C ATOM 258 O CYS A 17 6.515 -11.941 0.426 1.00 0.00 O ATOM 259 CB CYS A 17 5.441 -8.959 1.294 1.00 0.00 C ATOM 260 SG CYS A 17 3.964 -10.017 1.410 1.00 0.00 S ATOM 0 H CYS A 17 7.581 -7.814 0.804 1.00 0.00 H new ATOM 0 HA CYS A 17 6.999 -10.152 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.478 -8.319 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.331 -8.304 0.429 1.00 0.00 H new ATOM 262 N LEU A 18 6.752 -10.355 -1.167 1.00 0.00 N ATOM 263 CA LEU A 18 6.621 -11.271 -2.272 1.00 0.00 C ATOM 264 C LEU A 18 7.695 -12.352 -2.173 1.00 0.00 C ATOM 265 O LEU A 18 7.373 -13.526 -2.310 1.00 0.00 O ATOM 266 CB LEU A 18 6.647 -10.498 -3.607 1.00 0.00 C ATOM 267 CG LEU A 18 5.331 -10.691 -4.372 1.00 0.00 C ATOM 268 CD1 LEU A 18 4.336 -9.587 -4.011 1.00 0.00 C ATOM 269 CD2 LEU A 18 5.553 -10.645 -5.890 1.00 0.00 C ATOM 0 H LEU A 18 6.911 -9.386 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 18 5.658 -11.780 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.810 -9.437 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.482 -10.844 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 18 4.939 -11.668 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.408 -9.739 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.131 -9.617 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.758 -8.617 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.601 -10.785 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.975 -9.679 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.241 -11.438 -6.181 1.00 0.00 H new ATOM 281 N GLN A 19 8.947 -11.992 -1.901 1.00 0.00 N ATOM 282 CA GLN A 19 10.056 -12.938 -1.763 1.00 0.00 C ATOM 283 C GLN A 19 9.833 -13.852 -0.562 1.00 0.00 C ATOM 284 O GLN A 19 9.985 -15.066 -0.694 1.00 0.00 O ATOM 285 CB GLN A 19 11.445 -12.249 -1.744 1.00 0.00 C ATOM 286 CG GLN A 19 11.556 -10.869 -2.428 1.00 0.00 C ATOM 287 CD GLN A 19 11.553 -10.798 -3.950 1.00 0.00 C ATOM 288 OE1 GLN A 19 12.401 -11.385 -4.618 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.512 -10.179 -4.519 1.00 0.00 N ATOM 0 H GLN A 19 9.226 -11.020 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 19 10.066 -13.561 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.753 -12.137 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.162 -12.920 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.730 -10.256 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.476 -10.401 -2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.824 -9.700 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.407 -10.186 -5.534 1.00 0.00 H new ATOM 298 N ALA A 20 9.361 -13.297 0.558 1.00 0.00 N ATOM 299 CA ALA A 20 8.935 -14.062 1.719 1.00 0.00 C ATOM 300 C ALA A 20 7.745 -14.997 1.426 1.00 0.00 C ATOM 301 O ALA A 20 7.449 -15.858 2.252 1.00 0.00 O ATOM 302 CB ALA A 20 8.614 -13.097 2.867 1.00 0.00 C ATOM 0 H ALA A 20 9.265 -12.289 0.679 1.00 0.00 H new ATOM 0 HA ALA A 20 9.757 -14.718 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.294 -13.665 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.504 -12.519 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.816 -12.421 2.561 1.00 0.00 H new ATOM 308 N ASN A 21 7.073 -14.858 0.273 1.00 0.00 N ATOM 309 CA ASN A 21 5.874 -15.603 -0.093 1.00 0.00 C ATOM 310 C ASN A 21 6.017 -16.304 -1.451 1.00 0.00 C ATOM 311 O ASN A 21 5.026 -16.823 -1.958 1.00 0.00 O ATOM 312 CB ASN A 21 4.667 -14.658 -0.036 1.00 0.00 C ATOM 313 CG ASN A 21 4.268 -14.402 1.412 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.582 -15.207 2.028 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.708 -13.298 1.991 1.00 0.00 N ATOM 0 H ASN A 21 7.365 -14.200 -0.450 1.00 0.00 H new ATOM 0 HA ASN A 21 5.719 -16.409 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.910 -13.715 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.829 -15.093 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.477 -13.106 2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.279 -12.638 1.463 1.00 0.00 H new ATOM 322 N SER A 22 7.219 -16.345 -2.053 1.00 0.00 N ATOM 323 CA SER A 22 7.472 -16.950 -3.365 1.00 0.00 C ATOM 324 C SER A 22 6.555 -16.378 -4.445 1.00 0.00 C ATOM 325 O SER A 22 6.013 -17.081 -5.297 1.00 0.00 O ATOM 326 CB SER A 22 7.383 -18.469 -3.311 1.00 0.00 C ATOM 327 OG SER A 22 8.156 -18.972 -2.240 1.00 0.00 O ATOM 0 H SER A 22 8.057 -15.949 -1.628 1.00 0.00 H new ATOM 0 HA SER A 22 8.494 -16.691 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.343 -18.774 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.734 -18.893 -4.252 1.00 0.00 H new ATOM 0 HG SER A 22 8.087 -19.949 -2.218 1.00 0.00 H new ATOM 333 N TYR A 23 6.393 -15.062 -4.375 1.00 0.00 N ATOM 334 CA TYR A 23 5.802 -14.176 -5.349 1.00 0.00 C ATOM 335 C TYR A 23 4.285 -14.273 -5.454 1.00 0.00 C ATOM 336 O TYR A 23 3.665 -13.690 -6.343 1.00 0.00 O ATOM 337 CB TYR A 23 6.607 -14.273 -6.644 1.00 0.00 C ATOM 338 CG TYR A 23 8.108 -14.155 -6.415 1.00 0.00 C ATOM 339 CD1 TYR A 23 8.602 -13.336 -5.384 1.00 0.00 C ATOM 340 CD2 TYR A 23 9.020 -14.950 -7.140 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.955 -13.244 -5.132 1.00 0.00 C ATOM 342 CE2 TYR A 23 10.403 -14.873 -6.870 1.00 0.00 C ATOM 343 CZ TYR A 23 10.888 -13.971 -5.892 1.00 0.00 C ATOM 344 OH TYR A 23 12.219 -13.793 -5.666 1.00 0.00 O ATOM 0 H TYR A 23 6.705 -14.547 -3.552 1.00 0.00 H new ATOM 0 HA TYR A 23 5.885 -13.143 -5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.392 -15.225 -7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.285 -13.486 -7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.910 -12.769 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.658 -15.621 -7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.304 -12.602 -4.337 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.093 -15.504 -7.411 1.00 0.00 H new ATOM 0 HH TYR A 23 12.355 -12.979 -5.138 1.00 0.00 H new ATOM 354 N MET A 24 3.688 -14.934 -4.467 1.00 0.00 N ATOM 355 CA MET A 24 2.265 -14.978 -4.240 1.00 0.00 C ATOM 356 C MET A 24 1.774 -13.609 -3.772 1.00 0.00 C ATOM 357 O MET A 24 1.606 -13.366 -2.576 1.00 0.00 O ATOM 358 CB MET A 24 1.916 -16.101 -3.252 1.00 0.00 C ATOM 359 CG MET A 24 2.369 -17.463 -3.785 1.00 0.00 C ATOM 360 SD MET A 24 1.627 -18.882 -2.931 1.00 0.00 S ATOM 361 CE MET A 24 2.644 -18.910 -1.431 1.00 0.00 C ATOM 0 H MET A 24 4.214 -15.474 -3.779 1.00 0.00 H new ATOM 0 HA MET A 24 1.749 -15.208 -5.172 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.393 -15.906 -2.291 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.840 -16.115 -3.077 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.126 -17.524 -4.846 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.454 -17.530 -3.702 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.233 -19.633 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.664 -19.194 -1.689 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.647 -17.920 -0.975 1.00 0.00 H new ATOM 371 N GLU A 25 1.487 -12.714 -4.724 1.00 0.00 N ATOM 372 CA GLU A 25 0.834 -11.438 -4.455 1.00 0.00 C ATOM 373 C GLU A 25 -0.489 -11.630 -3.698 1.00 0.00 C ATOM 374 O GLU A 25 -0.909 -10.727 -2.980 1.00 0.00 O ATOM 375 CB GLU A 25 0.607 -10.682 -5.773 1.00 0.00 C ATOM 376 CG GLU A 25 0.547 -9.169 -5.530 1.00 0.00 C ATOM 377 CD GLU A 25 -0.243 -8.435 -6.611 1.00 0.00 C ATOM 378 OE1 GLU A 25 0.297 -8.310 -7.731 1.00 0.00 O ATOM 379 OE2 GLU A 25 -1.379 -8.016 -6.291 1.00 0.00 O ATOM 0 H GLU A 25 1.705 -12.861 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 25 1.488 -10.846 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.412 -10.911 -6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.322 -11.018 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.091 -8.978 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.561 -8.770 -5.491 1.00 0.00 H new ATOM 386 N SER A 26 -1.117 -12.808 -3.798 1.00 0.00 N ATOM 387 CA SER A 26 -2.259 -13.244 -3.004 1.00 0.00 C ATOM 388 C SER A 26 -2.002 -13.107 -1.496 1.00 0.00 C ATOM 389 O SER A 26 -2.880 -12.666 -0.761 1.00 0.00 O ATOM 390 CB SER A 26 -2.548 -14.707 -3.352 1.00 0.00 C ATOM 391 OG SER A 26 -2.517 -14.906 -4.754 1.00 0.00 O ATOM 0 H SER A 26 -0.823 -13.515 -4.472 1.00 0.00 H new ATOM 0 HA SER A 26 -3.113 -12.609 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.812 -15.352 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.525 -14.992 -2.961 1.00 0.00 H new ATOM 0 HG SER A 26 -2.702 -15.847 -4.955 1.00 0.00 H new ATOM 397 N LYS A 27 -0.795 -13.458 -1.036 1.00 0.00 N ATOM 398 CA LYS A 27 -0.363 -13.290 0.343 1.00 0.00 C ATOM 399 C LYS A 27 -0.137 -11.803 0.614 1.00 0.00 C ATOM 400 O LYS A 27 -0.623 -11.248 1.600 1.00 0.00 O ATOM 401 CB LYS A 27 0.935 -14.080 0.588 1.00 0.00 C ATOM 402 CG LYS A 27 0.842 -15.595 0.322 1.00 0.00 C ATOM 403 CD LYS A 27 0.388 -16.382 1.556 1.00 0.00 C ATOM 404 CE LYS A 27 0.349 -17.893 1.295 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.624 -18.264 0.250 1.00 0.00 N ATOM 0 H LYS A 27 -0.080 -13.876 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.130 -13.670 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.719 -13.664 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.245 -13.927 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.144 -15.775 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.815 -15.964 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.064 -16.175 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.602 -16.041 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.342 -18.232 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.098 -18.411 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.697 -19.300 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.555 -17.863 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.307 -17.891 -0.668 1.00 0.00 H new ATOM 419 N CYS A 28 0.586 -11.142 -0.297 1.00 0.00 N ATOM 420 CA CYS A 28 0.986 -9.755 -0.183 1.00 0.00 C ATOM 421 C CYS A 28 -0.186 -8.780 -0.348 1.00 0.00 C ATOM 422 O CYS A 28 0.009 -7.580 -0.179 1.00 0.00 O ATOM 423 CB CYS A 28 2.189 -9.576 -1.105 1.00 0.00 C ATOM 424 SG CYS A 28 3.547 -10.629 -0.511 1.00 0.00 S ATOM 0 H CYS A 28 0.914 -11.581 -1.157 1.00 0.00 H new ATOM 0 HA CYS A 28 1.308 -9.494 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.924 -9.844 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.501 -8.532 -1.120 1.00 0.00 H new ATOM 426 N GLN A 29 -1.423 -9.258 -0.552 1.00 0.00 N ATOM 427 CA GLN A 29 -2.608 -8.410 -0.425 1.00 0.00 C ATOM 428 C GLN A 29 -2.640 -7.750 0.963 1.00 0.00 C ATOM 429 O GLN A 29 -3.115 -6.621 1.074 1.00 0.00 O ATOM 430 CB GLN A 29 -3.914 -9.186 -0.665 1.00 0.00 C ATOM 431 CG GLN A 29 -4.069 -9.784 -2.070 1.00 0.00 C ATOM 432 CD GLN A 29 -3.860 -8.775 -3.198 1.00 0.00 C ATOM 433 OE1 GLN A 29 -4.687 -7.902 -3.435 1.00 0.00 O ATOM 434 NE2 GLN A 29 -2.748 -8.891 -3.908 1.00 0.00 N ATOM 0 H GLN A 29 -1.624 -10.226 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.538 -7.644 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.978 -9.993 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.755 -8.518 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.355 -10.599 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.065 -10.217 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.077 -9.627 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.562 -8.244 -4.674 1.00 0.00 H new ATOM 443 N ALA A 30 -2.074 -8.405 1.992 1.00 0.00 N ATOM 444 CA ALA A 30 -1.904 -7.863 3.335 1.00 0.00 C ATOM 445 C ALA A 30 -1.125 -6.556 3.311 1.00 0.00 C ATOM 446 O ALA A 30 -1.588 -5.525 3.787 1.00 0.00 O ATOM 447 CB ALA A 30 -1.114 -8.858 4.197 1.00 0.00 C ATOM 0 H ALA A 30 -1.714 -9.355 1.900 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.898 -7.687 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.988 -8.451 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.657 -9.801 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.135 -9.029 3.750 1.00 0.00 H new ATOM 453 N VAL A 31 0.098 -6.626 2.791 1.00 0.00 N ATOM 454 CA VAL A 31 1.036 -5.530 2.782 1.00 0.00 C ATOM 455 C VAL A 31 0.592 -4.472 1.768 1.00 0.00 C ATOM 456 O VAL A 31 0.822 -3.289 1.999 1.00 0.00 O ATOM 457 CB VAL A 31 2.438 -6.108 2.547 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.561 -6.778 1.190 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.541 -5.082 2.722 1.00 0.00 C ATOM 0 H VAL A 31 0.464 -7.473 2.355 1.00 0.00 H new ATOM 0 HA VAL A 31 1.067 -5.005 3.736 1.00 0.00 H new ATOM 0 HB VAL A 31 2.568 -6.865 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.570 -7.172 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.842 -7.594 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.359 -6.049 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.508 -5.553 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.396 -4.268 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.513 -4.687 3.738 1.00 0.00 H new ATOM 469 N ILE A 32 -0.109 -4.859 0.693 1.00 0.00 N ATOM 470 CA ILE A 32 -0.766 -3.920 -0.193 1.00 0.00 C ATOM 471 C ILE A 32 -1.783 -3.163 0.663 1.00 0.00 C ATOM 472 O ILE A 32 -1.736 -1.940 0.700 1.00 0.00 O ATOM 473 CB ILE A 32 -1.321 -4.650 -1.442 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.167 -5.245 -2.292 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.134 -3.713 -2.345 1.00 0.00 C ATOM 476 CD1 ILE A 32 -0.597 -6.370 -3.236 1.00 0.00 C ATOM 0 H ILE A 32 -0.230 -5.835 0.423 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.092 -3.181 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.970 -5.442 -1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.285 -4.446 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.605 -5.624 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.503 -4.268 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.978 -3.310 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.500 -2.894 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.269 -6.729 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.021 -7.190 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.345 -5.994 -3.933 1.00 0.00 H new ATOM 488 N GLN A 33 -2.610 -3.842 1.460 1.00 0.00 N ATOM 489 CA GLN A 33 -3.502 -3.168 2.378 1.00 0.00 C ATOM 490 C GLN A 33 -2.768 -2.332 3.428 1.00 0.00 C ATOM 491 O GLN A 33 -3.293 -1.302 3.852 1.00 0.00 O ATOM 492 CB GLN A 33 -4.427 -4.201 3.037 1.00 0.00 C ATOM 493 CG GLN A 33 -5.863 -3.698 3.016 1.00 0.00 C ATOM 494 CD GLN A 33 -6.447 -3.453 1.613 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.325 -2.614 1.433 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.953 -4.126 0.576 1.00 0.00 N ATOM 0 H GLN A 33 -2.673 -4.860 1.481 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.094 -2.458 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.358 -5.153 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.111 -4.382 4.064 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.493 -4.421 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.914 -2.768 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.223 -4.824 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.304 -3.944 -0.364 1.00 0.00 H new ATOM 505 N GLU A 34 -1.542 -2.698 3.820 1.00 0.00 N ATOM 506 CA GLU A 34 -0.769 -1.848 4.693 1.00 0.00 C ATOM 507 C GLU A 34 -0.386 -0.552 3.960 1.00 0.00 C ATOM 508 O GLU A 34 -0.434 0.533 4.541 1.00 0.00 O ATOM 509 CB GLU A 34 0.468 -2.607 5.194 1.00 0.00 C ATOM 510 CG GLU A 34 1.146 -1.766 6.268 1.00 0.00 C ATOM 511 CD GLU A 34 2.509 -2.294 6.716 1.00 0.00 C ATOM 512 OE1 GLU A 34 2.653 -3.531 6.834 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.397 -1.433 6.925 1.00 0.00 O ATOM 0 H GLU A 34 -1.081 -3.565 3.545 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.366 -1.571 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.180 -3.577 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.156 -2.797 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.269 -0.750 5.893 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.489 -1.708 7.136 1.00 0.00 H new ATOM 520 N LEU A 35 -0.044 -0.652 2.676 1.00 0.00 N ATOM 521 CA LEU A 35 0.254 0.456 1.791 1.00 0.00 C ATOM 522 C LEU A 35 -0.974 1.367 1.698 1.00 0.00 C ATOM 523 O LEU A 35 -0.812 2.572 1.571 1.00 0.00 O ATOM 524 CB LEU A 35 0.705 -0.118 0.432 1.00 0.00 C ATOM 525 CG LEU A 35 1.790 0.607 -0.365 1.00 0.00 C ATOM 526 CD1 LEU A 35 1.856 0.174 -1.829 1.00 0.00 C ATOM 527 CD2 LEU A 35 1.751 2.135 -0.296 1.00 0.00 C ATOM 0 H LEU A 35 0.034 -1.555 2.209 1.00 0.00 H new ATOM 0 HA LEU A 35 1.069 1.074 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.052 -1.137 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.178 -0.186 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 35 2.698 0.291 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.646 0.727 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.068 -0.894 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.901 0.380 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.563 2.547 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.797 2.492 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.866 2.456 0.739 1.00 0.00 H new ATOM 539 N ARG A 36 -2.196 0.826 1.828 1.00 0.00 N ATOM 540 CA ARG A 36 -3.442 1.590 1.746 1.00 0.00 C ATOM 541 C ARG A 36 -3.573 2.437 2.999 1.00 0.00 C ATOM 542 O ARG A 36 -3.775 3.647 2.933 1.00 0.00 O ATOM 543 CB ARG A 36 -4.666 0.665 1.641 1.00 0.00 C ATOM 544 CG ARG A 36 -4.694 -0.366 0.518 1.00 0.00 C ATOM 545 CD ARG A 36 -5.328 0.145 -0.741 1.00 0.00 C ATOM 546 NE ARG A 36 -5.151 -0.815 -1.841 1.00 0.00 N ATOM 547 CZ ARG A 36 -5.949 -1.850 -2.140 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.043 -2.144 -1.432 1.00 0.00 N ATOM 549 NH2 ARG A 36 -5.664 -2.639 -3.172 1.00 0.00 N ATOM 0 H ARG A 36 -2.344 -0.169 1.995 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.408 2.212 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.762 0.131 2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.551 1.293 1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.674 -0.683 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.237 -1.248 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.391 0.321 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.885 1.103 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.336 -0.679 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.299 -1.571 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.622 -2.941 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.836 -2.458 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.274 -3.425 -3.396 1.00 0.00 H new ATOM 563 N LYS A 37 -3.418 1.778 4.145 1.00 0.00 N ATOM 564 CA LYS A 37 -3.467 2.389 5.469 1.00 0.00 C ATOM 565 C LYS A 37 -2.336 3.395 5.655 1.00 0.00 C ATOM 566 O LYS A 37 -2.488 4.363 6.404 1.00 0.00 O ATOM 567 CB LYS A 37 -3.392 1.299 6.547 1.00 0.00 C ATOM 568 CG LYS A 37 -4.603 0.349 6.530 1.00 0.00 C ATOM 569 CD LYS A 37 -4.288 -0.960 7.265 1.00 0.00 C ATOM 570 CE LYS A 37 -3.993 -0.776 8.760 1.00 0.00 C ATOM 571 NZ LYS A 37 -5.165 -0.269 9.499 1.00 0.00 N ATOM 0 H LYS A 37 -3.250 0.773 4.178 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.411 2.926 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.480 0.719 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.321 1.770 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.458 0.836 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.885 0.132 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.131 -1.641 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.429 -1.435 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.680 -1.729 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.160 -0.083 8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.948 -0.240 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.397 0.689 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.977 -0.898 9.336 1.00 0.00 H new ATOM 585 N CYS A 38 -1.203 3.171 4.986 1.00 0.00 N ATOM 586 CA CYS A 38 -0.164 4.165 4.861 1.00 0.00 C ATOM 587 C CYS A 38 -0.682 5.304 3.990 1.00 0.00 C ATOM 588 O CYS A 38 -0.662 6.448 4.405 1.00 0.00 O ATOM 589 CB CYS A 38 1.131 3.573 4.299 1.00 0.00 C ATOM 590 SG CYS A 38 2.420 4.836 4.146 1.00 0.00 S ATOM 0 H CYS A 38 -0.991 2.289 4.519 1.00 0.00 H new ATOM 0 HA CYS A 38 0.084 4.547 5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.480 2.772 4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.937 3.129 3.323 1.00 0.00 H new ATOM 592 N CYS A 39 -1.144 5.022 2.777 1.00 0.00 N ATOM 593 CA CYS A 39 -1.473 6.031 1.779 1.00 0.00 C ATOM 594 C CYS A 39 -2.548 6.997 2.247 1.00 0.00 C ATOM 595 O CYS A 39 -2.425 8.215 2.099 1.00 0.00 O ATOM 596 CB CYS A 39 -1.896 5.288 0.533 1.00 0.00 C ATOM 597 SG CYS A 39 -2.295 6.235 -0.944 1.00 0.00 S ATOM 0 H CYS A 39 -1.303 4.067 2.454 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.602 6.658 1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.096 4.594 0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.770 4.688 0.787 1.00 0.00 H new ATOM 599 N ALA A 40 -3.590 6.443 2.858 1.00 0.00 N ATOM 600 CA ALA A 40 -4.760 7.196 3.263 1.00 0.00 C ATOM 601 C ALA A 40 -4.496 8.132 4.452 1.00 0.00 C ATOM 602 O ALA A 40 -5.400 8.839 4.891 1.00 0.00 O ATOM 603 CB ALA A 40 -5.912 6.227 3.547 1.00 0.00 C ATOM 0 H ALA A 40 -3.642 5.450 3.086 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.035 7.854 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.794 6.790 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.139 5.657 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.624 5.543 4.346 1.00 0.00 H new ATOM 609 N GLN A 41 -3.268 8.140 4.973 1.00 0.00 N ATOM 610 CA GLN A 41 -2.852 8.773 6.203 1.00 0.00 C ATOM 611 C GLN A 41 -2.309 10.185 5.964 1.00 0.00 C ATOM 612 O GLN A 41 -2.042 10.902 6.927 1.00 0.00 O ATOM 613 CB GLN A 41 -1.738 7.872 6.722 1.00 0.00 C ATOM 614 CG GLN A 41 -1.393 7.862 8.192 1.00 0.00 C ATOM 615 CD GLN A 41 -0.275 6.843 8.438 1.00 0.00 C ATOM 616 OE1 GLN A 41 0.866 7.200 8.735 1.00 0.00 O ATOM 617 NE2 GLN A 41 -0.548 5.556 8.253 1.00 0.00 N ATOM 0 H GLN A 41 -2.493 7.669 4.506 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.684 8.885 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.992 6.850 6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.830 8.134 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.074 8.854 8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.272 7.605 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.494 5.266 8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.189 4.858 8.357 1.00 0.00 H new ATOM 626 N TYR A 42 -2.109 10.566 4.696 1.00 0.00 N ATOM 627 CA TYR A 42 -1.375 11.749 4.297 1.00 0.00 C ATOM 628 C TYR A 42 -2.122 12.540 3.224 1.00 0.00 C ATOM 629 O TYR A 42 -2.990 11.982 2.551 1.00 0.00 O ATOM 630 CB TYR A 42 -0.003 11.331 3.735 1.00 0.00 C ATOM 631 CG TYR A 42 0.870 10.541 4.684 1.00 0.00 C ATOM 632 CD1 TYR A 42 0.738 9.145 4.731 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.772 11.187 5.551 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.506 8.387 5.631 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.505 10.440 6.493 1.00 0.00 C ATOM 636 CZ TYR A 42 2.346 9.037 6.558 1.00 0.00 C ATOM 637 OH TYR A 42 2.907 8.325 7.574 1.00 0.00 O ATOM 0 H TYR A 42 -2.469 10.035 3.903 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.258 12.383 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.163 10.737 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.536 12.229 3.433 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.041 8.650 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.902 12.258 5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.453 7.308 5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.188 10.938 7.165 1.00 0.00 H new ATOM 0 HH TYR A 42 2.258 7.676 7.916 1.00 0.00 H new ATOM 647 N PRO A 43 -1.766 13.817 2.991 1.00 0.00 N ATOM 648 CA PRO A 43 -2.190 14.527 1.793 1.00 0.00 C ATOM 649 C PRO A 43 -1.432 13.844 0.645 1.00 0.00 C ATOM 650 O PRO A 43 -0.280 14.173 0.388 1.00 0.00 O ATOM 651 CB PRO A 43 -1.806 15.994 2.025 1.00 0.00 C ATOM 652 CG PRO A 43 -0.630 15.916 3.002 1.00 0.00 C ATOM 653 CD PRO A 43 -0.934 14.669 3.835 1.00 0.00 C ATOM 0 HA PRO A 43 -3.254 14.502 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.520 16.484 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.636 16.563 2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.321 15.825 2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.567 16.808 3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.015 14.157 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.453 14.932 4.757 1.00 0.00 H new ATOM 661 N LYS A 44 -2.071 12.862 -0.002 1.00 0.00 N ATOM 662 CA LYS A 44 -1.512 11.848 -0.909 1.00 0.00 C ATOM 663 C LYS A 44 -0.409 12.285 -1.882 1.00 0.00 C ATOM 664 O LYS A 44 0.470 11.471 -2.160 1.00 0.00 O ATOM 665 CB LYS A 44 -2.651 11.114 -1.643 1.00 0.00 C ATOM 666 CG LYS A 44 -3.625 10.398 -0.684 1.00 0.00 C ATOM 667 CD LYS A 44 -4.904 11.203 -0.386 1.00 0.00 C ATOM 668 CE LYS A 44 -5.828 10.486 0.604 1.00 0.00 C ATOM 669 NZ LYS A 44 -5.191 10.304 1.920 1.00 0.00 N ATOM 0 H LYS A 44 -3.079 12.745 0.104 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.972 11.176 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.207 11.831 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.222 10.383 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.904 9.436 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.110 10.190 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.631 12.178 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.442 11.382 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.747 11.059 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.109 9.514 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.887 9.924 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.396 9.639 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.840 11.220 2.265 1.00 0.00 H new ATOM 683 N GLY A 45 -0.364 13.550 -2.320 1.00 0.00 N ATOM 684 CA GLY A 45 0.772 14.111 -3.060 1.00 0.00 C ATOM 685 C GLY A 45 2.114 13.990 -2.314 1.00 0.00 C ATOM 686 O GLY A 45 3.166 14.069 -2.942 1.00 0.00 O ATOM 0 H GLY A 45 -1.121 14.217 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.854 13.605 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.575 15.163 -3.269 1.00 0.00 H new ATOM 690 N ARG A 46 2.088 13.739 -0.996 1.00 0.00 N ATOM 691 CA ARG A 46 3.199 13.362 -0.134 1.00 0.00 C ATOM 692 C ARG A 46 3.933 12.124 -0.670 1.00 0.00 C ATOM 693 O ARG A 46 5.100 11.911 -0.334 1.00 0.00 O ATOM 694 CB ARG A 46 2.555 13.083 1.242 1.00 0.00 C ATOM 695 CG ARG A 46 3.514 12.700 2.375 1.00 0.00 C ATOM 696 CD ARG A 46 3.875 13.824 3.355 1.00 0.00 C ATOM 697 NE ARG A 46 4.177 15.105 2.703 1.00 0.00 N ATOM 698 CZ ARG A 46 5.269 15.443 2.004 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.256 14.579 1.757 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.354 16.691 1.540 1.00 0.00 N ATOM 0 H ARG A 46 1.215 13.802 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 46 3.955 14.145 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.002 13.971 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.828 12.280 1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.070 11.880 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.435 12.320 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.048 13.967 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.738 13.515 3.946 1.00 0.00 H new ATOM 0 HE ARG A 46 3.465 15.830 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.195 13.622 2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.071 14.876 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.601 17.355 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.172 16.981 1.004 1.00 0.00 H new ATOM 714 N SER A 47 3.271 11.278 -1.472 1.00 0.00 N ATOM 715 CA SER A 47 3.815 10.013 -1.895 1.00 0.00 C ATOM 716 C SER A 47 3.505 9.679 -3.346 1.00 0.00 C ATOM 717 O SER A 47 2.371 9.728 -3.825 1.00 0.00 O ATOM 718 CB SER A 47 3.373 8.940 -0.910 1.00 0.00 C ATOM 719 OG SER A 47 3.613 7.636 -1.389 1.00 0.00 O ATOM 0 H SER A 47 2.338 11.468 -1.839 1.00 0.00 H new ATOM 0 HA SER A 47 4.903 10.071 -1.878 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.899 9.079 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.309 9.057 -0.703 1.00 0.00 H new ATOM 0 HG SER A 47 4.424 7.278 -0.971 1.00 0.00 H new ATOM 725 N VAL A 48 4.576 9.271 -4.019 1.00 0.00 N ATOM 726 CA VAL A 48 4.595 8.816 -5.390 1.00 0.00 C ATOM 727 C VAL A 48 3.906 7.459 -5.469 1.00 0.00 C ATOM 728 O VAL A 48 2.982 7.290 -6.261 1.00 0.00 O ATOM 729 CB VAL A 48 6.035 8.759 -5.944 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.986 8.481 -7.452 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.811 10.066 -5.698 1.00 0.00 C ATOM 0 H VAL A 48 5.502 9.251 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 48 4.053 9.526 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 48 6.557 7.960 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.001 8.440 -7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.488 7.528 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.434 9.277 -7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.817 9.974 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.295 10.893 -6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.870 10.258 -4.627 1.00 0.00 H new ATOM 741 N VAL A 49 4.321 6.497 -4.634 1.00 0.00 N ATOM 742 CA VAL A 49 3.728 5.171 -4.643 1.00 0.00 C ATOM 743 C VAL A 49 2.230 5.278 -4.347 1.00 0.00 C ATOM 744 O VAL A 49 1.439 4.708 -5.089 1.00 0.00 O ATOM 745 CB VAL A 49 4.477 4.212 -3.698 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.993 4.250 -3.909 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.262 4.511 -2.216 1.00 0.00 C ATOM 0 H VAL A 49 5.065 6.621 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 49 3.831 4.731 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 49 4.058 3.238 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.474 3.557 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.225 3.961 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.361 5.259 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.821 3.794 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.610 5.520 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.201 4.433 -1.979 1.00 0.00 H new ATOM 757 N CYS A 50 1.840 6.071 -3.336 1.00 0.00 N ATOM 758 CA CYS A 50 0.463 6.292 -2.911 1.00 0.00 C ATOM 759 C CYS A 50 -0.334 6.955 -4.042 1.00 0.00 C ATOM 760 O CYS A 50 -1.512 6.654 -4.223 1.00 0.00 O ATOM 761 CB CYS A 50 0.509 7.211 -1.687 1.00 0.00 C ATOM 762 SG CYS A 50 -1.043 7.831 -1.002 1.00 0.00 S ATOM 0 H CYS A 50 2.510 6.595 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.024 5.349 -2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.029 6.676 -0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.123 8.074 -1.946 1.00 0.00 H new ATOM 764 N SER A 51 0.318 7.807 -4.846 1.00 0.00 N ATOM 765 CA SER A 51 -0.275 8.389 -6.039 1.00 0.00 C ATOM 766 C SER A 51 -0.549 7.319 -7.108 1.00 0.00 C ATOM 767 O SER A 51 -1.468 7.499 -7.908 1.00 0.00 O ATOM 768 CB SER A 51 0.600 9.530 -6.567 1.00 0.00 C ATOM 769 OG SER A 51 0.732 10.552 -5.594 1.00 0.00 O ATOM 0 H SER A 51 1.278 8.108 -4.678 1.00 0.00 H new ATOM 0 HA SER A 51 -1.243 8.814 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.585 9.146 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.161 9.941 -7.476 1.00 0.00 H new ATOM 0 HG SER A 51 1.553 10.409 -5.079 1.00 0.00 H new ATOM 775 N GLY A 52 0.180 6.189 -7.110 1.00 0.00 N ATOM 776 CA GLY A 52 -0.213 5.013 -7.906 1.00 0.00 C ATOM 777 C GLY A 52 -1.407 4.358 -7.281 1.00 0.00 C ATOM 778 O GLY A 52 -2.389 3.968 -7.901 1.00 0.00 O ATOM 0 H GLY A 52 1.039 6.065 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.444 5.314 -8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.615 4.306 -7.961 1.00 0.00 H new ATOM 782 N PHE A 53 -1.235 4.205 -5.992 1.00 0.00 N ATOM 783 CA PHE A 53 -2.008 3.366 -5.166 1.00 0.00 C ATOM 784 C PHE A 53 -3.445 3.753 -4.984 1.00 0.00 C ATOM 785 O PHE A 53 -4.300 2.885 -4.932 1.00 0.00 O ATOM 786 CB PHE A 53 -1.280 3.379 -3.851 1.00 0.00 C ATOM 787 CG PHE A 53 -1.404 2.057 -3.265 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.926 0.942 -3.978 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.013 1.969 -2.028 1.00 0.00 C ATOM 790 CE1 PHE A 53 -1.082 -0.327 -3.416 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.092 0.721 -1.467 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.659 -0.416 -2.140 1.00 0.00 C ATOM 0 H PHE A 53 -0.505 4.699 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.093 2.384 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.231 3.636 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.703 4.133 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.449 1.065 -4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.408 2.841 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.768 -1.213 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.502 0.618 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.769 -1.384 -1.673 1.00 0.00 H new ATOM 802 N GLU A 54 -3.713 5.044 -4.915 1.00 0.00 N ATOM 803 CA GLU A 54 -5.072 5.547 -4.875 1.00 0.00 C ATOM 804 C GLU A 54 -5.836 5.208 -6.154 1.00 0.00 C ATOM 805 O GLU A 54 -7.058 5.082 -6.087 1.00 0.00 O ATOM 806 CB GLU A 54 -5.067 7.035 -4.524 1.00 0.00 C ATOM 807 CG GLU A 54 -4.858 7.173 -3.007 1.00 0.00 C ATOM 808 CD GLU A 54 -6.186 7.261 -2.257 1.00 0.00 C ATOM 809 OE1 GLU A 54 -6.820 6.195 -2.097 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.551 8.393 -1.870 1.00 0.00 O ATOM 0 H GLU A 54 -2.997 5.770 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.623 5.042 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.273 7.550 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.008 7.498 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.289 6.319 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.265 8.064 -2.801 1.00 0.00 H new