USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=9 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= 1.11 K(o=2.4,f=-0.89) USER MOD Set 1.2: A 42 TYR OH : rot -40:sc= 1.26 USER MOD Set 2.1: A 24 MET CE :methyl 180:sc= -0.0025 (180deg=-0.0025) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.613 K(o=2.5,f=-5.4) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -135:sc= 0.672 (180deg=-0.292) USER MOD Set 3.3: A 19 GLN : amide:sc= 1.24 K(o=2.5,f=-4.5!) USER MOD Set 4.1: A 8 GLN : amide:sc= 0.711 K(o=1.7,f=1) USER MOD Set 4.2: A 12 CYS SG : rot 72:sc= 0.979 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.7) USER MOD Single : A 21 ASN : amide:sc= 1.16 K(o=1.2,f=-0.12) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0939 USER MOD Single : A 29 GLN : amide:sc= 0.952 K(o=0.95,f=-0.23) USER MOD Single : A 33 GLN : amide:sc= 0.638 K(o=0.64,f=-7.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 107:sc= 1.33 USER MOD Single : A 51 SER OG : rot 96:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 9.125 10.513 0.326 1.00 0.00 N ATOM 74 CA ASP A 5 8.045 9.573 0.112 1.00 0.00 C ATOM 75 C ASP A 5 7.913 8.689 1.364 1.00 0.00 C ATOM 76 O ASP A 5 8.624 7.690 1.458 1.00 0.00 O ATOM 77 CB ASP A 5 8.261 8.804 -1.199 1.00 0.00 C ATOM 78 CG ASP A 5 7.018 8.014 -1.602 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.322 7.479 -0.706 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.721 7.980 -2.814 1.00 0.00 O ATOM 0 HA ASP A 5 7.090 10.082 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.520 9.504 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.104 8.123 -1.087 1.00 0.00 H new ATOM 85 N PRO A 6 7.036 9.036 2.333 1.00 0.00 N ATOM 86 CA PRO A 6 6.893 8.324 3.613 1.00 0.00 C ATOM 87 C PRO A 6 6.609 6.829 3.433 1.00 0.00 C ATOM 88 O PRO A 6 7.011 5.984 4.232 1.00 0.00 O ATOM 89 CB PRO A 6 5.701 8.980 4.319 1.00 0.00 C ATOM 90 CG PRO A 6 5.566 10.347 3.657 1.00 0.00 C ATOM 91 CD PRO A 6 6.003 10.053 2.229 1.00 0.00 C ATOM 0 HA PRO A 6 7.822 8.393 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.793 8.389 4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.878 9.074 5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.544 10.722 3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.201 11.095 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.165 9.699 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.386 10.951 1.744 1.00 0.00 H new ATOM 99 N CYS A 7 5.876 6.526 2.361 1.00 0.00 N ATOM 100 CA CYS A 7 5.299 5.240 2.078 1.00 0.00 C ATOM 101 C CYS A 7 6.171 4.377 1.178 1.00 0.00 C ATOM 102 O CYS A 7 5.904 3.183 1.047 1.00 0.00 O ATOM 103 CB CYS A 7 3.922 5.491 1.468 1.00 0.00 C ATOM 104 SG CYS A 7 2.671 6.051 2.666 1.00 0.00 S ATOM 0 H CYS A 7 5.666 7.215 1.639 1.00 0.00 H new ATOM 0 HA CYS A 7 5.215 4.668 3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.016 6.239 0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.572 4.573 0.996 1.00 0.00 H new ATOM 106 N GLN A 8 7.227 4.932 0.583 1.00 0.00 N ATOM 107 CA GLN A 8 8.107 4.194 -0.300 1.00 0.00 C ATOM 108 C GLN A 8 8.810 3.046 0.448 1.00 0.00 C ATOM 109 O GLN A 8 9.149 2.031 -0.165 1.00 0.00 O ATOM 110 CB GLN A 8 9.033 5.222 -0.953 1.00 0.00 C ATOM 111 CG GLN A 8 10.179 4.635 -1.758 1.00 0.00 C ATOM 112 CD GLN A 8 9.717 3.883 -3.005 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.521 4.473 -4.059 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.520 2.577 -2.904 1.00 0.00 N ATOM 0 H GLN A 8 7.490 5.910 0.705 1.00 0.00 H new ATOM 0 HA GLN A 8 7.568 3.677 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.439 5.860 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.447 5.862 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.854 5.438 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.750 3.957 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.689 2.103 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.199 2.045 -3.713 1.00 0.00 H new ATOM 123 N LYS A 9 8.960 3.166 1.772 1.00 0.00 N ATOM 124 CA LYS A 9 9.387 2.090 2.652 1.00 0.00 C ATOM 125 C LYS A 9 8.398 0.924 2.571 1.00 0.00 C ATOM 126 O LYS A 9 8.781 -0.204 2.275 1.00 0.00 O ATOM 127 CB LYS A 9 9.490 2.637 4.082 1.00 0.00 C ATOM 128 CG LYS A 9 10.084 1.607 5.054 1.00 0.00 C ATOM 129 CD LYS A 9 10.188 2.185 6.470 1.00 0.00 C ATOM 130 CE LYS A 9 10.715 1.114 7.428 1.00 0.00 C ATOM 131 NZ LYS A 9 10.798 1.620 8.810 1.00 0.00 N ATOM 0 H LYS A 9 8.781 4.040 2.267 1.00 0.00 H new ATOM 0 HA LYS A 9 10.364 1.715 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.109 3.534 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.500 2.933 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.461 0.713 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.072 1.302 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.854 3.048 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.211 2.535 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.061 0.243 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.701 0.784 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.159 0.870 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.442 2.436 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.852 1.912 9.130 1.00 0.00 H new ATOM 145 N GLN A 10 7.117 1.203 2.801 1.00 0.00 N ATOM 146 CA GLN A 10 6.060 0.200 2.804 1.00 0.00 C ATOM 147 C GLN A 10 5.920 -0.429 1.409 1.00 0.00 C ATOM 148 O GLN A 10 5.776 -1.642 1.309 1.00 0.00 O ATOM 149 CB GLN A 10 4.744 0.801 3.333 1.00 0.00 C ATOM 150 CG GLN A 10 4.733 1.007 4.860 1.00 0.00 C ATOM 151 CD GLN A 10 5.809 1.971 5.365 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.805 1.557 5.941 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.655 3.265 5.112 1.00 0.00 N ATOM 0 H GLN A 10 6.781 2.147 2.993 1.00 0.00 H new ATOM 0 HA GLN A 10 6.325 -0.607 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.569 1.759 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.918 0.146 3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.754 1.382 5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.867 0.041 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.818 3.594 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.373 3.930 5.399 1.00 0.00 H new ATOM 162 N ALA A 11 6.047 0.359 0.332 1.00 0.00 N ATOM 163 CA ALA A 11 6.151 -0.116 -1.046 1.00 0.00 C ATOM 164 C ALA A 11 7.273 -1.130 -1.234 1.00 0.00 C ATOM 165 O ALA A 11 7.072 -2.149 -1.893 1.00 0.00 O ATOM 166 CB ALA A 11 6.352 1.065 -1.991 1.00 0.00 C ATOM 0 H ALA A 11 6.081 1.376 0.403 1.00 0.00 H new ATOM 0 HA ALA A 11 5.216 -0.625 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.429 0.702 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.504 1.745 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.267 1.593 -1.724 1.00 0.00 H new ATOM 172 N CYS A 12 8.443 -0.872 -0.646 1.00 0.00 N ATOM 173 CA CYS A 12 9.524 -1.852 -0.650 1.00 0.00 C ATOM 174 C CYS A 12 9.065 -3.169 -0.013 1.00 0.00 C ATOM 175 O CYS A 12 9.304 -4.244 -0.568 1.00 0.00 O ATOM 176 CB CYS A 12 10.776 -1.332 0.059 1.00 0.00 C ATOM 177 SG CYS A 12 11.475 0.101 -0.801 1.00 0.00 S ATOM 0 H CYS A 12 8.662 0.001 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 12 9.786 -2.032 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.528 -1.058 1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.522 -2.125 0.113 1.00 0.00 H new ATOM 0 HG CYS A 12 10.705 1.133 -0.622 1.00 0.00 H new ATOM 182 N GLU A 13 8.368 -3.090 1.126 1.00 0.00 N ATOM 183 CA GLU A 13 7.855 -4.269 1.812 1.00 0.00 C ATOM 184 C GLU A 13 6.854 -5.041 0.958 1.00 0.00 C ATOM 185 O GLU A 13 6.755 -6.249 1.145 1.00 0.00 O ATOM 186 CB GLU A 13 7.218 -3.942 3.174 1.00 0.00 C ATOM 187 CG GLU A 13 8.124 -3.184 4.147 1.00 0.00 C ATOM 188 CD GLU A 13 9.429 -3.928 4.429 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.405 -4.808 5.317 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.425 -3.625 3.733 1.00 0.00 O ATOM 0 H GLU A 13 8.147 -2.210 1.592 1.00 0.00 H new ATOM 0 HA GLU A 13 8.729 -4.896 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.318 -3.351 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.904 -4.874 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.351 -2.200 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.591 -3.022 5.084 1.00 0.00 H new ATOM 197 N ILE A 14 6.152 -4.411 0.004 1.00 0.00 N ATOM 198 CA ILE A 14 5.287 -5.123 -0.925 1.00 0.00 C ATOM 199 C ILE A 14 6.109 -6.130 -1.708 1.00 0.00 C ATOM 200 O ILE A 14 5.775 -7.314 -1.748 1.00 0.00 O ATOM 201 CB ILE A 14 4.567 -4.184 -1.897 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.849 -3.016 -1.233 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.596 -4.964 -2.791 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.656 -3.367 -0.371 1.00 0.00 C ATOM 0 H ILE A 14 6.173 -3.401 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 14 4.521 -5.628 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 14 5.357 -3.742 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.569 -2.476 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.518 -2.330 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.096 -4.276 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.148 -5.708 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.852 -5.464 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.229 -2.456 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.906 -3.875 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.973 -4.024 0.439 1.00 0.00 H new ATOM 216 N GLN A 15 7.176 -5.634 -2.338 1.00 0.00 N ATOM 217 CA GLN A 15 8.050 -6.455 -3.144 1.00 0.00 C ATOM 218 C GLN A 15 8.635 -7.555 -2.276 1.00 0.00 C ATOM 219 O GLN A 15 8.469 -8.727 -2.595 1.00 0.00 O ATOM 220 CB GLN A 15 9.126 -5.611 -3.847 1.00 0.00 C ATOM 221 CG GLN A 15 8.632 -5.050 -5.190 1.00 0.00 C ATOM 222 CD GLN A 15 8.324 -6.139 -6.227 1.00 0.00 C ATOM 223 OE1 GLN A 15 8.656 -7.310 -6.059 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.664 -5.778 -7.319 1.00 0.00 N ATOM 0 H GLN A 15 7.449 -4.652 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 15 7.478 -6.923 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.423 -4.788 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.014 -6.221 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.734 -4.456 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.388 -4.376 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.392 -4.804 -7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.429 -6.474 -8.026 1.00 0.00 H new ATOM 233 N LYS A 16 9.253 -7.220 -1.144 1.00 0.00 N ATOM 234 CA LYS A 16 9.898 -8.259 -0.360 1.00 0.00 C ATOM 235 C LYS A 16 8.880 -9.224 0.243 1.00 0.00 C ATOM 236 O LYS A 16 9.198 -10.406 0.348 1.00 0.00 O ATOM 237 CB LYS A 16 10.750 -7.658 0.762 1.00 0.00 C ATOM 238 CG LYS A 16 12.140 -7.154 0.335 1.00 0.00 C ATOM 239 CD LYS A 16 12.212 -5.711 -0.193 1.00 0.00 C ATOM 240 CE LYS A 16 11.920 -5.497 -1.684 1.00 0.00 C ATOM 241 NZ LYS A 16 12.756 -6.327 -2.569 1.00 0.00 N ATOM 0 H LYS A 16 9.318 -6.275 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 16 10.543 -8.812 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.202 -6.828 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.878 -8.410 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.812 -7.239 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.522 -7.820 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.509 -5.106 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.209 -5.324 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.870 -5.718 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.075 -4.447 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.116 -5.745 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.556 -6.713 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.187 -7.109 -2.951 1.00 0.00 H new ATOM 255 N CYS A 17 7.668 -8.771 0.587 1.00 0.00 N ATOM 256 CA CYS A 17 6.583 -9.680 0.939 1.00 0.00 C ATOM 257 C CYS A 17 6.371 -10.654 -0.208 1.00 0.00 C ATOM 258 O CYS A 17 6.286 -11.855 0.024 1.00 0.00 O ATOM 259 CB CYS A 17 5.280 -8.928 1.222 1.00 0.00 C ATOM 260 SG CYS A 17 3.799 -9.974 1.403 1.00 0.00 S ATOM 0 H CYS A 17 7.420 -7.783 0.627 1.00 0.00 H new ATOM 0 HA CYS A 17 6.860 -10.211 1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.407 -8.346 2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.107 -8.218 0.413 1.00 0.00 H new ATOM 262 N LEU A 18 6.289 -10.142 -1.439 1.00 0.00 N ATOM 263 CA LEU A 18 6.107 -10.951 -2.625 1.00 0.00 C ATOM 264 C LEU A 18 7.240 -11.966 -2.752 1.00 0.00 C ATOM 265 O LEU A 18 6.962 -13.143 -2.971 1.00 0.00 O ATOM 266 CB LEU A 18 5.972 -10.052 -3.875 1.00 0.00 C ATOM 267 CG LEU A 18 4.566 -10.157 -4.482 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.659 -9.062 -3.914 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.601 -9.983 -6.007 1.00 0.00 C ATOM 0 H LEU A 18 6.349 -9.142 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 18 5.179 -11.516 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.179 -9.016 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.715 -10.343 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 18 4.184 -11.147 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.665 -9.149 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.588 -9.173 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.077 -8.084 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.590 -10.063 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.011 -9.003 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.227 -10.759 -6.447 1.00 0.00 H new ATOM 281 N GLN A 19 8.498 -11.546 -2.592 1.00 0.00 N ATOM 282 CA GLN A 19 9.648 -12.442 -2.572 1.00 0.00 C ATOM 283 C GLN A 19 9.502 -13.510 -1.485 1.00 0.00 C ATOM 284 O GLN A 19 9.666 -14.692 -1.778 1.00 0.00 O ATOM 285 CB GLN A 19 10.966 -11.652 -2.477 1.00 0.00 C ATOM 286 CG GLN A 19 11.427 -11.004 -3.801 1.00 0.00 C ATOM 287 CD GLN A 19 10.790 -9.655 -4.166 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.304 -8.619 -3.758 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.719 -9.619 -4.964 1.00 0.00 N ATOM 0 H GLN A 19 8.745 -10.564 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 19 9.683 -12.980 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.852 -10.870 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.750 -12.321 -2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.508 -10.869 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.227 -11.705 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.301 -10.488 -5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.319 -8.722 -5.241 1.00 0.00 H new ATOM 298 N ALA A 20 9.112 -13.117 -0.271 1.00 0.00 N ATOM 299 CA ALA A 20 8.849 -14.027 0.834 1.00 0.00 C ATOM 300 C ALA A 20 7.646 -14.954 0.586 1.00 0.00 C ATOM 301 O ALA A 20 7.491 -15.931 1.315 1.00 0.00 O ATOM 302 CB ALA A 20 8.657 -13.212 2.118 1.00 0.00 C ATOM 0 H ALA A 20 8.969 -12.137 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 20 9.712 -14.686 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.459 -13.887 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.560 -12.637 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.814 -12.532 1.994 1.00 0.00 H new ATOM 308 N ASN A 21 6.802 -14.679 -0.421 1.00 0.00 N ATOM 309 CA ASN A 21 5.553 -15.391 -0.669 1.00 0.00 C ATOM 310 C ASN A 21 5.491 -15.970 -2.084 1.00 0.00 C ATOM 311 O ASN A 21 4.428 -16.437 -2.484 1.00 0.00 O ATOM 312 CB ASN A 21 4.365 -14.474 -0.347 1.00 0.00 C ATOM 313 CG ASN A 21 4.177 -14.341 1.159 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.543 -15.181 1.786 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.731 -13.307 1.765 1.00 0.00 N ATOM 0 H ASN A 21 6.980 -13.937 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 21 5.502 -16.253 -0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.530 -13.490 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.457 -14.876 -0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.635 -13.196 2.774 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.255 -12.619 1.224 1.00 0.00 H new ATOM 322 N SER A 22 6.592 -15.972 -2.854 1.00 0.00 N ATOM 323 CA SER A 22 6.632 -16.529 -4.212 1.00 0.00 C ATOM 324 C SER A 22 5.608 -15.846 -5.118 1.00 0.00 C ATOM 325 O SER A 22 4.930 -16.468 -5.933 1.00 0.00 O ATOM 326 CB SER A 22 6.459 -18.046 -4.200 1.00 0.00 C ATOM 327 OG SER A 22 7.361 -18.637 -3.286 1.00 0.00 O ATOM 0 H SER A 22 7.484 -15.584 -2.547 1.00 0.00 H new ATOM 0 HA SER A 22 7.619 -16.325 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.435 -18.300 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.630 -18.446 -5.200 1.00 0.00 H new ATOM 0 HG SER A 22 7.238 -19.609 -3.287 1.00 0.00 H new ATOM 333 N TYR A 23 5.510 -14.532 -4.933 1.00 0.00 N ATOM 334 CA TYR A 23 4.821 -13.569 -5.759 1.00 0.00 C ATOM 335 C TYR A 23 3.300 -13.617 -5.663 1.00 0.00 C ATOM 336 O TYR A 23 2.588 -12.982 -6.442 1.00 0.00 O ATOM 337 CB TYR A 23 5.446 -13.589 -7.156 1.00 0.00 C ATOM 338 CG TYR A 23 6.970 -13.545 -7.124 1.00 0.00 C ATOM 339 CD1 TYR A 23 7.625 -12.767 -6.152 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.739 -14.375 -7.957 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.008 -12.748 -6.031 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.140 -14.402 -7.823 1.00 0.00 C ATOM 343 CZ TYR A 23 9.789 -13.574 -6.875 1.00 0.00 C ATOM 344 OH TYR A 23 11.146 -13.617 -6.761 1.00 0.00 O ATOM 0 H TYR A 23 5.952 -14.085 -4.130 1.00 0.00 H new ATOM 0 HA TYR A 23 4.979 -12.564 -5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.124 -14.489 -7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.075 -12.738 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.033 -12.165 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.255 -14.992 -8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.483 -12.110 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.725 -15.060 -8.449 1.00 0.00 H new ATOM 0 HH TYR A 23 11.510 -14.241 -7.423 1.00 0.00 H new ATOM 354 N MET A 24 2.818 -14.304 -4.630 1.00 0.00 N ATOM 355 CA MET A 24 1.441 -14.319 -4.198 1.00 0.00 C ATOM 356 C MET A 24 1.036 -12.939 -3.669 1.00 0.00 C ATOM 357 O MET A 24 1.044 -12.678 -2.466 1.00 0.00 O ATOM 358 CB MET A 24 1.248 -15.451 -3.176 1.00 0.00 C ATOM 359 CG MET A 24 1.501 -16.808 -3.842 1.00 0.00 C ATOM 360 SD MET A 24 0.867 -18.241 -2.927 1.00 0.00 S ATOM 361 CE MET A 24 2.296 -18.591 -1.872 1.00 0.00 C ATOM 0 H MET A 24 3.415 -14.892 -4.049 1.00 0.00 H new ATOM 0 HA MET A 24 0.775 -14.525 -5.036 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.931 -15.315 -2.338 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.236 -15.418 -2.772 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.048 -16.799 -4.833 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.575 -16.932 -3.983 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.078 -19.450 -1.238 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.163 -18.810 -2.495 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.508 -17.723 -1.247 1.00 0.00 H new ATOM 371 N GLU A 25 0.625 -12.051 -4.577 1.00 0.00 N ATOM 372 CA GLU A 25 0.009 -10.769 -4.261 1.00 0.00 C ATOM 373 C GLU A 25 -1.251 -10.929 -3.391 1.00 0.00 C ATOM 374 O GLU A 25 -1.668 -9.979 -2.733 1.00 0.00 O ATOM 375 CB GLU A 25 -0.275 -10.032 -5.579 1.00 0.00 C ATOM 376 CG GLU A 25 -0.400 -8.528 -5.348 1.00 0.00 C ATOM 377 CD GLU A 25 -0.626 -7.771 -6.654 1.00 0.00 C ATOM 378 OE1 GLU A 25 0.388 -7.475 -7.325 1.00 0.00 O ATOM 379 OE2 GLU A 25 -1.810 -7.505 -6.959 1.00 0.00 O ATOM 0 H GLU A 25 0.716 -12.213 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 25 0.695 -10.173 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.527 -10.229 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.195 -10.413 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.228 -8.332 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.504 -8.158 -4.865 1.00 0.00 H new ATOM 386 N SER A 26 -1.828 -12.133 -3.349 1.00 0.00 N ATOM 387 CA SER A 26 -2.857 -12.579 -2.430 1.00 0.00 C ATOM 388 C SER A 26 -2.354 -12.530 -0.986 1.00 0.00 C ATOM 389 O SER A 26 -2.919 -11.824 -0.155 1.00 0.00 O ATOM 390 CB SER A 26 -3.261 -14.006 -2.807 1.00 0.00 C ATOM 391 OG SER A 26 -2.165 -14.741 -3.332 1.00 0.00 O ATOM 0 H SER A 26 -1.564 -12.867 -4.006 1.00 0.00 H new ATOM 0 HA SER A 26 -3.721 -11.918 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.654 -14.517 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.064 -13.974 -3.543 1.00 0.00 H new ATOM 0 HG SER A 26 -2.459 -15.648 -3.560 1.00 0.00 H new ATOM 397 N LYS A 27 -1.263 -13.246 -0.687 1.00 0.00 N ATOM 398 CA LYS A 27 -0.591 -13.184 0.608 1.00 0.00 C ATOM 399 C LYS A 27 -0.242 -11.732 0.930 1.00 0.00 C ATOM 400 O LYS A 27 -0.436 -11.272 2.055 1.00 0.00 O ATOM 401 CB LYS A 27 0.683 -14.047 0.597 1.00 0.00 C ATOM 402 CG LYS A 27 0.426 -15.558 0.454 1.00 0.00 C ATOM 403 CD LYS A 27 0.238 -16.223 1.823 1.00 0.00 C ATOM 404 CE LYS A 27 -0.259 -17.667 1.704 1.00 0.00 C ATOM 405 NZ LYS A 27 0.734 -18.544 1.061 1.00 0.00 N ATOM 0 H LYS A 27 -0.822 -13.888 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.260 -13.574 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.322 -13.720 -0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.235 -13.870 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.461 -15.722 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.262 -16.024 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.184 -16.210 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.473 -15.643 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.493 -18.052 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.184 -17.685 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.321 -18.966 0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.573 -17.987 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.009 -19.299 1.721 1.00 0.00 H new ATOM 419 N CYS A 28 0.221 -10.986 -0.078 1.00 0.00 N ATOM 420 CA CYS A 28 0.652 -9.616 0.095 1.00 0.00 C ATOM 421 C CYS A 28 -0.512 -8.612 0.123 1.00 0.00 C ATOM 422 O CYS A 28 -0.257 -7.415 0.237 1.00 0.00 O ATOM 423 CB CYS A 28 1.781 -9.362 -0.897 1.00 0.00 C ATOM 424 SG CYS A 28 3.187 -10.452 -0.504 1.00 0.00 S ATOM 0 H CYS A 28 0.303 -11.327 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 28 1.067 -9.448 1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.435 -9.548 -1.914 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.092 -8.318 -0.852 1.00 0.00 H new ATOM 426 N GLN A 29 -1.779 -9.058 0.137 1.00 0.00 N ATOM 427 CA GLN A 29 -2.900 -8.162 0.434 1.00 0.00 C ATOM 428 C GLN A 29 -2.744 -7.534 1.831 1.00 0.00 C ATOM 429 O GLN A 29 -3.207 -6.411 2.044 1.00 0.00 O ATOM 430 CB GLN A 29 -4.268 -8.859 0.331 1.00 0.00 C ATOM 431 CG GLN A 29 -4.672 -9.274 -1.090 1.00 0.00 C ATOM 432 CD GLN A 29 -4.664 -8.120 -2.088 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.494 -7.223 -2.032 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.719 -8.127 -3.019 1.00 0.00 N ATOM 0 H GLN A 29 -2.047 -10.024 -0.052 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.873 -7.380 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.257 -9.746 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.031 -8.191 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.992 -10.051 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.670 -9.712 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.037 -8.885 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.675 -7.375 -3.706 1.00 0.00 H new ATOM 443 N ALA A 30 -2.052 -8.225 2.754 1.00 0.00 N ATOM 444 CA ALA A 30 -1.679 -7.734 4.078 1.00 0.00 C ATOM 445 C ALA A 30 -0.820 -6.478 3.990 1.00 0.00 C ATOM 446 O ALA A 30 -1.101 -5.458 4.613 1.00 0.00 O ATOM 447 CB ALA A 30 -0.872 -8.816 4.810 1.00 0.00 C ATOM 0 H ALA A 30 -1.728 -9.177 2.584 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.597 -7.495 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.591 -8.454 5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.479 -9.716 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.028 -9.047 4.240 1.00 0.00 H new ATOM 453 N VAL A 31 0.273 -6.572 3.238 1.00 0.00 N ATOM 454 CA VAL A 31 1.254 -5.521 3.117 1.00 0.00 C ATOM 455 C VAL A 31 0.724 -4.418 2.191 1.00 0.00 C ATOM 456 O VAL A 31 1.034 -3.249 2.404 1.00 0.00 O ATOM 457 CB VAL A 31 2.576 -6.179 2.704 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.525 -6.729 1.289 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.799 -5.305 2.898 1.00 0.00 C ATOM 0 H VAL A 31 0.497 -7.401 2.688 1.00 0.00 H new ATOM 0 HA VAL A 31 1.448 -5.000 4.054 1.00 0.00 H new ATOM 0 HB VAL A 31 2.691 -7.013 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.483 -7.185 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.737 -7.479 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.318 -5.918 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.689 -5.849 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.696 -4.398 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.893 -5.039 3.951 1.00 0.00 H new ATOM 469 N ILE A 32 -0.146 -4.755 1.224 1.00 0.00 N ATOM 470 CA ILE A 32 -0.904 -3.773 0.464 1.00 0.00 C ATOM 471 C ILE A 32 -1.742 -2.987 1.462 1.00 0.00 C ATOM 472 O ILE A 32 -1.691 -1.761 1.441 1.00 0.00 O ATOM 473 CB ILE A 32 -1.736 -4.451 -0.647 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.794 -4.827 -1.814 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.939 -3.606 -1.122 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.319 -5.972 -2.680 1.00 0.00 C ATOM 0 H ILE A 32 -0.337 -5.720 0.954 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.248 -3.083 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.184 -5.353 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.639 -3.950 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.179 -5.105 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.477 -4.145 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.608 -3.421 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.582 -2.655 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.607 -6.181 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.447 -6.863 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.278 -5.689 -3.114 1.00 0.00 H new ATOM 488 N GLN A 33 -2.421 -3.668 2.393 1.00 0.00 N ATOM 489 CA GLN A 33 -3.146 -3.028 3.472 1.00 0.00 C ATOM 490 C GLN A 33 -2.270 -2.078 4.274 1.00 0.00 C ATOM 491 O GLN A 33 -2.764 -1.067 4.781 1.00 0.00 O ATOM 492 CB GLN A 33 -3.775 -4.083 4.395 1.00 0.00 C ATOM 493 CG GLN A 33 -5.268 -3.826 4.492 1.00 0.00 C ATOM 494 CD GLN A 33 -6.018 -3.916 3.152 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.018 -3.234 2.951 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.557 -4.702 2.179 1.00 0.00 N ATOM 0 H GLN A 33 -2.477 -4.686 2.410 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.937 -2.431 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.590 -5.084 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.320 -4.037 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.703 -4.544 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.427 -2.835 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.726 -5.273 2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.035 -4.732 1.278 1.00 0.00 H new ATOM 505 N GLU A 34 -0.969 -2.367 4.364 1.00 0.00 N ATOM 506 CA GLU A 34 -0.083 -1.487 5.058 1.00 0.00 C ATOM 507 C GLU A 34 0.282 -0.260 4.204 1.00 0.00 C ATOM 508 O GLU A 34 0.328 0.851 4.732 1.00 0.00 O ATOM 509 CB GLU A 34 1.138 -2.271 5.540 1.00 0.00 C ATOM 510 CG GLU A 34 1.941 -1.345 6.434 1.00 0.00 C ATOM 511 CD GLU A 34 3.107 -2.071 7.101 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.090 -2.351 6.378 1.00 0.00 O ATOM 513 OE2 GLU A 34 2.995 -2.338 8.316 1.00 0.00 O ATOM 0 H GLU A 34 -0.530 -3.196 3.964 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.587 -1.085 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.831 -3.163 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.739 -2.606 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.322 -0.511 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.289 -0.924 7.200 1.00 0.00 H new ATOM 520 N LEU A 35 0.510 -0.412 2.889 1.00 0.00 N ATOM 521 CA LEU A 35 0.693 0.745 2.020 1.00 0.00 C ATOM 522 C LEU A 35 -0.579 1.584 1.979 1.00 0.00 C ATOM 523 O LEU A 35 -0.493 2.804 1.909 1.00 0.00 O ATOM 524 CB LEU A 35 1.138 0.385 0.595 1.00 0.00 C ATOM 525 CG LEU A 35 2.546 0.791 0.175 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.702 0.593 -1.334 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.833 2.269 0.438 1.00 0.00 C ATOM 0 H LEU A 35 0.570 -1.314 2.417 1.00 0.00 H new ATOM 0 HA LEU A 35 1.507 1.325 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.050 -0.695 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.434 0.840 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 35 3.231 0.174 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.708 0.883 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.536 -0.455 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.973 1.210 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.849 2.504 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.127 2.882 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.728 2.476 1.503 1.00 0.00 H new ATOM 539 N ARG A 36 -1.745 0.945 2.080 1.00 0.00 N ATOM 540 CA ARG A 36 -3.045 1.591 2.148 1.00 0.00 C ATOM 541 C ARG A 36 -3.079 2.533 3.340 1.00 0.00 C ATOM 542 O ARG A 36 -3.267 3.740 3.203 1.00 0.00 O ATOM 543 CB ARG A 36 -4.134 0.525 2.341 1.00 0.00 C ATOM 544 CG ARG A 36 -5.034 0.293 1.139 1.00 0.00 C ATOM 545 CD ARG A 36 -5.128 -1.205 0.847 1.00 0.00 C ATOM 546 NE ARG A 36 -5.690 -1.528 -0.466 1.00 0.00 N ATOM 547 CZ ARG A 36 -6.613 -2.461 -0.739 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.366 -3.024 0.210 1.00 0.00 N ATOM 549 NH2 ARG A 36 -6.757 -2.844 -2.005 1.00 0.00 N ATOM 0 H ARG A 36 -1.806 -0.072 2.118 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.219 2.145 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.654 -0.418 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.755 0.813 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.027 0.699 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.639 0.819 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.132 -1.641 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.739 -1.676 1.617 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.342 -0.986 -1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.249 -2.747 1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.058 -3.731 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.174 -2.430 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.450 -3.552 -2.248 1.00 0.00 H new ATOM 563 N LYS A 37 -2.917 1.936 4.522 1.00 0.00 N ATOM 564 CA LYS A 37 -3.027 2.660 5.785 1.00 0.00 C ATOM 565 C LYS A 37 -1.903 3.688 5.924 1.00 0.00 C ATOM 566 O LYS A 37 -2.120 4.739 6.523 1.00 0.00 O ATOM 567 CB LYS A 37 -3.156 1.705 6.987 1.00 0.00 C ATOM 568 CG LYS A 37 -1.830 1.089 7.456 1.00 0.00 C ATOM 569 CD LYS A 37 -2.021 -0.099 8.405 1.00 0.00 C ATOM 570 CE LYS A 37 -2.681 0.327 9.720 1.00 0.00 C ATOM 571 NZ LYS A 37 -2.833 -0.813 10.641 1.00 0.00 N ATOM 0 H LYS A 37 -2.707 0.943 4.629 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.957 3.228 5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.605 2.247 7.819 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.843 0.901 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.260 0.763 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.238 1.855 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.634 -0.858 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.054 -0.557 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.081 1.103 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.659 0.762 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.283 -0.490 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.426 -1.542 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.897 -1.212 10.857 1.00 0.00 H new ATOM 585 N CYS A 38 -0.733 3.422 5.325 1.00 0.00 N ATOM 586 CA CYS A 38 0.325 4.402 5.183 1.00 0.00 C ATOM 587 C CYS A 38 -0.177 5.553 4.326 1.00 0.00 C ATOM 588 O CYS A 38 -0.051 6.703 4.717 1.00 0.00 O ATOM 589 CB CYS A 38 1.564 3.772 4.539 1.00 0.00 C ATOM 590 SG CYS A 38 2.953 4.934 4.369 1.00 0.00 S ATOM 0 H CYS A 38 -0.504 2.511 4.927 1.00 0.00 H new ATOM 0 HA CYS A 38 0.605 4.770 6.170 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.883 2.920 5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.298 3.387 3.554 1.00 0.00 H new ATOM 592 N CYS A 39 -0.737 5.257 3.157 1.00 0.00 N ATOM 593 CA CYS A 39 -1.131 6.260 2.185 1.00 0.00 C ATOM 594 C CYS A 39 -2.171 7.208 2.760 1.00 0.00 C ATOM 595 O CYS A 39 -2.030 8.426 2.685 1.00 0.00 O ATOM 596 CB CYS A 39 -1.644 5.536 0.957 1.00 0.00 C ATOM 597 SG CYS A 39 -2.155 6.546 -0.442 1.00 0.00 S ATOM 0 H CYS A 39 -0.930 4.301 2.859 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.276 6.880 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.863 4.856 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.493 4.921 1.257 1.00 0.00 H new ATOM 599 N ALA A 40 -3.175 6.621 3.402 1.00 0.00 N ATOM 600 CA ALA A 40 -4.288 7.314 4.019 1.00 0.00 C ATOM 601 C ALA A 40 -3.876 8.169 5.223 1.00 0.00 C ATOM 602 O ALA A 40 -4.723 8.850 5.798 1.00 0.00 O ATOM 603 CB ALA A 40 -5.359 6.288 4.406 1.00 0.00 C ATOM 0 H ALA A 40 -3.233 5.608 3.508 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.691 8.017 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.202 6.799 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.701 5.764 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.937 5.570 5.109 1.00 0.00 H new ATOM 609 N GLN A 41 -2.593 8.166 5.603 1.00 0.00 N ATOM 610 CA GLN A 41 -2.050 9.041 6.609 1.00 0.00 C ATOM 611 C GLN A 41 -1.770 10.432 6.021 1.00 0.00 C ATOM 612 O GLN A 41 -1.473 11.354 6.780 1.00 0.00 O ATOM 613 CB GLN A 41 -0.753 8.383 7.081 1.00 0.00 C ATOM 614 CG GLN A 41 -0.289 8.739 8.478 1.00 0.00 C ATOM 615 CD GLN A 41 0.980 7.963 8.840 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.102 8.413 8.613 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.834 6.761 9.384 1.00 0.00 N ATOM 0 H GLN A 41 -1.900 7.535 5.201 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.748 9.182 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.879 7.302 7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.039 8.647 6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.097 9.810 8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.077 8.514 9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.100 6.395 9.569 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.656 6.203 9.617 1.00 0.00 H new ATOM 626 N TYR A 42 -1.836 10.586 4.688 1.00 0.00 N ATOM 627 CA TYR A 42 -1.372 11.755 3.973 1.00 0.00 C ATOM 628 C TYR A 42 -2.319 12.163 2.841 1.00 0.00 C ATOM 629 O TYR A 42 -3.089 11.336 2.351 1.00 0.00 O ATOM 630 CB TYR A 42 -0.007 11.450 3.331 1.00 0.00 C ATOM 631 CG TYR A 42 1.078 10.977 4.270 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.193 9.607 4.548 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.943 11.893 4.895 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.177 9.137 5.428 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.904 11.437 5.813 1.00 0.00 C ATOM 636 CZ TYR A 42 3.003 10.057 6.108 1.00 0.00 C ATOM 637 OH TYR A 42 3.798 9.625 7.123 1.00 0.00 O ATOM 0 H TYR A 42 -2.227 9.872 4.074 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.315 12.566 4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.151 10.690 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.344 12.350 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.517 8.908 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.869 12.947 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.303 8.076 5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.568 12.141 6.294 1.00 0.00 H new ATOM 0 HH TYR A 42 3.311 8.968 7.663 1.00 0.00 H new ATOM 647 N PRO A 43 -2.229 13.417 2.358 1.00 0.00 N ATOM 648 CA PRO A 43 -2.829 13.789 1.084 1.00 0.00 C ATOM 649 C PRO A 43 -2.004 13.040 0.028 1.00 0.00 C ATOM 650 O PRO A 43 -0.783 13.199 -0.001 1.00 0.00 O ATOM 651 CB PRO A 43 -2.699 15.313 1.002 1.00 0.00 C ATOM 652 CG PRO A 43 -1.488 15.634 1.882 1.00 0.00 C ATOM 653 CD PRO A 43 -1.507 14.539 2.950 1.00 0.00 C ATOM 0 HA PRO A 43 -3.880 13.533 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.545 15.645 -0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.599 15.810 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.561 15.616 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.569 16.626 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.494 14.248 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.001 14.887 3.857 1.00 0.00 H new ATOM 661 N LYS A 44 -2.626 12.214 -0.825 1.00 0.00 N ATOM 662 CA LYS A 44 -1.901 11.247 -1.658 1.00 0.00 C ATOM 663 C LYS A 44 -0.699 11.785 -2.441 1.00 0.00 C ATOM 664 O LYS A 44 0.299 11.076 -2.553 1.00 0.00 O ATOM 665 CB LYS A 44 -2.869 10.454 -2.552 1.00 0.00 C ATOM 666 CG LYS A 44 -3.577 11.322 -3.608 1.00 0.00 C ATOM 667 CD LYS A 44 -4.582 10.520 -4.442 1.00 0.00 C ATOM 668 CE LYS A 44 -3.865 9.505 -5.339 1.00 0.00 C ATOM 669 NZ LYS A 44 -4.785 8.816 -6.262 1.00 0.00 N ATOM 0 H LYS A 44 -3.637 12.198 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.437 10.571 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.318 9.659 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.620 9.973 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.094 12.144 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.832 11.766 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.276 10.000 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.174 11.199 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.093 10.016 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.361 8.767 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.250 8.141 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.507 8.305 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.247 9.515 -6.877 1.00 0.00 H new ATOM 683 N GLY A 45 -0.737 13.041 -2.902 1.00 0.00 N ATOM 684 CA GLY A 45 0.364 13.669 -3.628 1.00 0.00 C ATOM 685 C GLY A 45 1.663 13.763 -2.821 1.00 0.00 C ATOM 686 O GLY A 45 2.722 13.967 -3.410 1.00 0.00 O ATOM 0 H GLY A 45 -1.543 13.653 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.554 13.104 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.062 14.672 -3.931 1.00 0.00 H new ATOM 690 N ARG A 46 1.616 13.573 -1.493 1.00 0.00 N ATOM 691 CA ARG A 46 2.769 13.454 -0.625 1.00 0.00 C ATOM 692 C ARG A 46 3.611 12.206 -0.935 1.00 0.00 C ATOM 693 O ARG A 46 4.728 12.085 -0.432 1.00 0.00 O ATOM 694 CB ARG A 46 2.223 13.411 0.810 1.00 0.00 C ATOM 695 CG ARG A 46 3.263 13.753 1.875 1.00 0.00 C ATOM 696 CD ARG A 46 3.194 15.206 2.371 1.00 0.00 C ATOM 697 NE ARG A 46 3.279 16.202 1.287 1.00 0.00 N ATOM 698 CZ ARG A 46 4.370 16.520 0.579 1.00 0.00 C ATOM 699 NH1 ARG A 46 5.528 15.900 0.788 1.00 0.00 N ATOM 700 NH2 ARG A 46 4.322 17.461 -0.360 1.00 0.00 N ATOM 0 H ARG A 46 0.733 13.497 -0.987 1.00 0.00 H new ATOM 0 HA ARG A 46 3.442 14.298 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.389 14.108 0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.827 12.415 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.132 13.083 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.258 13.564 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.261 15.352 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.006 15.379 3.078 1.00 0.00 H new ATOM 0 HE ARG A 46 2.420 16.699 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.595 15.170 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.349 16.155 0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.447 17.950 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.160 17.694 -0.892 1.00 0.00 H new ATOM 714 N SER A 47 3.107 11.251 -1.731 1.00 0.00 N ATOM 715 CA SER A 47 3.837 10.048 -2.062 1.00 0.00 C ATOM 716 C SER A 47 3.459 9.519 -3.441 1.00 0.00 C ATOM 717 O SER A 47 2.297 9.509 -3.850 1.00 0.00 O ATOM 718 CB SER A 47 3.623 9.041 -0.934 1.00 0.00 C ATOM 719 OG SER A 47 3.828 7.704 -1.333 1.00 0.00 O ATOM 0 H SER A 47 2.181 11.304 -2.156 1.00 0.00 H new ATOM 0 HA SER A 47 4.904 10.256 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.301 9.276 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.608 9.147 -0.550 1.00 0.00 H new ATOM 0 HG SER A 47 4.675 7.378 -0.963 1.00 0.00 H new ATOM 725 N VAL A 48 4.478 9.034 -4.146 1.00 0.00 N ATOM 726 CA VAL A 48 4.357 8.443 -5.463 1.00 0.00 C ATOM 727 C VAL A 48 3.679 7.082 -5.334 1.00 0.00 C ATOM 728 O VAL A 48 2.656 6.842 -5.969 1.00 0.00 O ATOM 729 CB VAL A 48 5.728 8.339 -6.163 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.504 7.963 -7.634 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.528 9.651 -6.092 1.00 0.00 C ATOM 0 H VAL A 48 5.437 9.045 -3.800 1.00 0.00 H new ATOM 0 HA VAL A 48 3.742 9.086 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 48 6.309 7.576 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.466 7.886 -8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.987 7.005 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.900 8.730 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.484 9.522 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.964 10.448 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.704 9.914 -5.049 1.00 0.00 H new ATOM 741 N VAL A 49 4.219 6.201 -4.485 1.00 0.00 N ATOM 742 CA VAL A 49 3.667 4.869 -4.279 1.00 0.00 C ATOM 743 C VAL A 49 2.219 4.970 -3.776 1.00 0.00 C ATOM 744 O VAL A 49 1.361 4.223 -4.241 1.00 0.00 O ATOM 745 CB VAL A 49 4.573 4.039 -3.346 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.048 4.045 -3.778 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.567 4.564 -1.914 1.00 0.00 C ATOM 0 H VAL A 49 5.049 6.396 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 49 3.639 4.337 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 49 4.155 3.034 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.633 3.444 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.135 3.627 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.423 5.068 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.220 3.946 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.925 5.594 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.552 4.528 -1.518 1.00 0.00 H new ATOM 757 N CYS A 50 1.928 5.933 -2.886 1.00 0.00 N ATOM 758 CA CYS A 50 0.601 6.188 -2.346 1.00 0.00 C ATOM 759 C CYS A 50 -0.327 6.716 -3.449 1.00 0.00 C ATOM 760 O CYS A 50 -1.498 6.337 -3.519 1.00 0.00 O ATOM 761 CB CYS A 50 0.734 7.238 -1.242 1.00 0.00 C ATOM 762 SG CYS A 50 -0.757 8.006 -0.569 1.00 0.00 S ATOM 0 H CYS A 50 2.636 6.568 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 50 0.176 5.266 -1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.267 6.775 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.370 8.036 -1.624 1.00 0.00 H new ATOM 764 N SER A 51 0.203 7.544 -4.356 1.00 0.00 N ATOM 765 CA SER A 51 -0.532 7.979 -5.531 1.00 0.00 C ATOM 766 C SER A 51 -0.856 6.791 -6.443 1.00 0.00 C ATOM 767 O SER A 51 -1.899 6.807 -7.098 1.00 0.00 O ATOM 768 CB SER A 51 0.224 9.082 -6.277 1.00 0.00 C ATOM 769 OG SER A 51 0.417 10.209 -5.445 1.00 0.00 O ATOM 0 H SER A 51 1.147 7.925 -4.290 1.00 0.00 H new ATOM 0 HA SER A 51 -1.480 8.405 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.189 8.704 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.333 9.373 -7.168 1.00 0.00 H new ATOM 0 HG SER A 51 1.302 10.160 -5.027 1.00 0.00 H new ATOM 775 N GLY A 52 -0.035 5.728 -6.426 1.00 0.00 N ATOM 776 CA GLY A 52 -0.379 4.478 -7.106 1.00 0.00 C ATOM 777 C GLY A 52 -1.468 3.702 -6.370 1.00 0.00 C ATOM 778 O GLY A 52 -2.192 2.892 -6.944 1.00 0.00 O ATOM 0 H GLY A 52 0.867 5.713 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.714 4.698 -8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.512 3.856 -7.193 1.00 0.00 H new ATOM 782 N PHE A 53 -1.561 3.932 -5.068 1.00 0.00 N ATOM 783 CA PHE A 53 -2.319 3.162 -4.127 1.00 0.00 C ATOM 784 C PHE A 53 -3.775 3.498 -4.058 1.00 0.00 C ATOM 785 O PHE A 53 -4.627 2.621 -4.094 1.00 0.00 O ATOM 786 CB PHE A 53 -1.677 3.397 -2.775 1.00 0.00 C ATOM 787 CG PHE A 53 -1.403 2.075 -2.212 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.352 1.371 -2.800 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.301 1.479 -1.328 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.181 0.031 -2.493 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.074 0.157 -0.963 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.032 -0.559 -1.555 1.00 0.00 C ATOM 0 H PHE A 53 -1.074 4.712 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.296 2.120 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.758 3.974 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.340 3.966 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.320 1.865 -3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.146 2.027 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.596 -0.547 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.703 -0.315 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.880 -1.593 -1.282 1.00 0.00 H new ATOM 802 N GLU A 54 -4.062 4.781 -3.935 1.00 0.00 N ATOM 803 CA GLU A 54 -5.433 5.235 -4.015 1.00 0.00 C ATOM 804 C GLU A 54 -5.984 5.006 -5.433 1.00 0.00 C ATOM 805 O GLU A 54 -7.193 4.850 -5.593 1.00 0.00 O ATOM 806 CB GLU A 54 -5.532 6.650 -3.443 1.00 0.00 C ATOM 807 CG GLU A 54 -5.371 6.579 -1.910 1.00 0.00 C ATOM 808 CD GLU A 54 -6.688 6.227 -1.218 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.448 7.174 -0.918 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.920 5.014 -1.015 1.00 0.00 O ATOM 0 H GLU A 54 -3.372 5.517 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.102 4.646 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.759 7.286 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.493 7.095 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.617 5.834 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.009 7.537 -1.537 1.00 0.00 H new