USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 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= 1.09 K(o=2.4,f=-2) USER MOD Set 1.2: A 42 TYR OH : rot 131:sc= 1.32 USER MOD Set 2.1: A 24 MET CE :methyl 171:sc=-0.00955 (180deg=-0.0786) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0503) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.942 K(o=1.8,f=0.92) USER MOD Set 3.2: A 12 CYS SG : rot 74:sc= 0.89 USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 0.312 (180deg=0.229) USER MOD Single : A 10 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.9) USER MOD Single : A 15 GLN : amide:sc= 0.953 K(o=0.95,f=-0.029) USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 0.43 (180deg=0.0745) USER MOD Single : A 19 GLN : amide:sc= -0.954 X(o=-0.95,f=-0.7) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.092) 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= 0.083 USER MOD Single : A 29 GLN : amide:sc= 1.83 K(o=1.8,f=-0.045) USER MOD Single : A 33 GLN : amide:sc= 0.503 K(o=0.5,f=-0.16) 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 102:sc= 1.33 USER MOD Single : A 51 SER OG : rot 80:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 73 N ASP A 5 8.818 10.635 1.102 1.00 0.00 N ATOM 74 CA ASP A 5 7.851 9.698 0.564 1.00 0.00 C ATOM 75 C ASP A 5 7.631 8.620 1.638 1.00 0.00 C ATOM 76 O ASP A 5 8.358 7.627 1.643 1.00 0.00 O ATOM 77 CB ASP A 5 8.293 9.141 -0.798 1.00 0.00 C ATOM 78 CG ASP A 5 7.167 8.358 -1.472 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.413 7.643 -0.769 1.00 0.00 O ATOM 80 OD2 ASP A 5 7.016 8.507 -2.700 1.00 0.00 O ATOM 0 HA ASP A 5 6.901 10.187 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.605 9.961 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.159 8.493 -0.664 1.00 0.00 H new ATOM 85 N PRO A 6 6.679 8.806 2.576 1.00 0.00 N ATOM 86 CA PRO A 6 6.509 7.940 3.747 1.00 0.00 C ATOM 87 C PRO A 6 6.213 6.488 3.372 1.00 0.00 C ATOM 88 O PRO A 6 6.580 5.547 4.079 1.00 0.00 O ATOM 89 CB PRO A 6 5.300 8.499 4.507 1.00 0.00 C ATOM 90 CG PRO A 6 5.086 9.901 3.947 1.00 0.00 C ATOM 91 CD PRO A 6 5.607 9.784 2.524 1.00 0.00 C ATOM 0 HA PRO A 6 7.430 7.934 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.418 7.876 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.489 8.529 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.035 10.188 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.634 10.651 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.818 9.464 1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.971 10.745 2.160 1.00 0.00 H new ATOM 99 N CYS A 7 5.506 6.325 2.254 1.00 0.00 N ATOM 100 CA CYS A 7 4.917 5.082 1.838 1.00 0.00 C ATOM 101 C CYS A 7 5.801 4.290 0.893 1.00 0.00 C ATOM 102 O CYS A 7 5.542 3.105 0.681 1.00 0.00 O ATOM 103 CB CYS A 7 3.562 5.392 1.215 1.00 0.00 C ATOM 104 SG CYS A 7 2.318 5.976 2.409 1.00 0.00 S ATOM 0 H CYS A 7 5.330 7.089 1.601 1.00 0.00 H new ATOM 0 HA CYS A 7 4.796 4.440 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.693 6.149 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.186 4.495 0.722 1.00 0.00 H new ATOM 106 N GLN A 8 6.862 4.904 0.364 1.00 0.00 N ATOM 107 CA GLN A 8 7.798 4.234 -0.510 1.00 0.00 C ATOM 108 C GLN A 8 8.481 3.063 0.215 1.00 0.00 C ATOM 109 O GLN A 8 8.830 2.072 -0.432 1.00 0.00 O ATOM 110 CB GLN A 8 8.737 5.309 -1.068 1.00 0.00 C ATOM 111 CG GLN A 8 9.931 4.771 -1.841 1.00 0.00 C ATOM 112 CD GLN A 8 9.544 4.069 -3.144 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.473 4.691 -4.196 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.270 2.772 -3.097 1.00 0.00 N ATOM 0 H GLN A 8 7.087 5.884 0.537 1.00 0.00 H new ATOM 0 HA GLN A 8 7.310 3.754 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.165 5.968 -1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.102 5.918 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.609 5.594 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.479 4.072 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.334 2.269 -2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.995 2.278 -3.946 1.00 0.00 H new ATOM 123 N LYS A 9 8.596 3.127 1.549 1.00 0.00 N ATOM 124 CA LYS A 9 9.003 2.001 2.373 1.00 0.00 C ATOM 125 C LYS A 9 8.018 0.851 2.199 1.00 0.00 C ATOM 126 O LYS A 9 8.401 -0.239 1.790 1.00 0.00 O ATOM 127 CB LYS A 9 9.092 2.439 3.843 1.00 0.00 C ATOM 128 CG LYS A 9 9.491 1.314 4.817 1.00 0.00 C ATOM 129 CD LYS A 9 10.791 0.584 4.449 1.00 0.00 C ATOM 130 CE LYS A 9 11.120 -0.441 5.537 1.00 0.00 C ATOM 131 NZ LYS A 9 12.224 -1.326 5.129 1.00 0.00 N ATOM 0 H LYS A 9 8.405 3.975 2.083 1.00 0.00 H new ATOM 0 HA LYS A 9 9.988 1.655 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.817 3.249 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.127 2.843 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.597 1.736 5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.681 0.586 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.682 0.086 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.607 1.299 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.389 0.077 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.235 -1.039 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.590 -1.830 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.877 -2.015 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.986 -0.758 4.705 1.00 0.00 H new ATOM 145 N GLN A 10 6.740 1.101 2.481 1.00 0.00 N ATOM 146 CA GLN A 10 5.701 0.082 2.422 1.00 0.00 C ATOM 147 C GLN A 10 5.597 -0.492 1.001 1.00 0.00 C ATOM 148 O GLN A 10 5.454 -1.703 0.855 1.00 0.00 O ATOM 149 CB GLN A 10 4.359 0.626 2.946 1.00 0.00 C ATOM 150 CG GLN A 10 4.308 0.771 4.481 1.00 0.00 C ATOM 151 CD GLN A 10 5.343 1.751 5.034 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.318 1.354 5.656 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.181 3.038 4.764 1.00 0.00 N ATOM 0 H GLN A 10 6.398 2.021 2.758 1.00 0.00 H new ATOM 0 HA GLN A 10 5.975 -0.741 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.168 1.598 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.557 -0.039 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.312 1.103 4.774 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.465 -0.207 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.361 3.351 4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.876 3.716 5.076 1.00 0.00 H new ATOM 162 N ALA A 11 5.757 0.337 -0.039 1.00 0.00 N ATOM 163 CA ALA A 11 5.835 -0.092 -1.435 1.00 0.00 C ATOM 164 C ALA A 11 7.010 -1.039 -1.707 1.00 0.00 C ATOM 165 O ALA A 11 6.869 -1.962 -2.512 1.00 0.00 O ATOM 166 CB ALA A 11 5.920 1.126 -2.346 1.00 0.00 C ATOM 0 H ALA A 11 5.837 1.348 0.073 1.00 0.00 H new ATOM 0 HA ALA A 11 4.926 -0.654 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.978 0.800 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.034 1.745 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.809 1.705 -2.097 1.00 0.00 H new ATOM 172 N CYS A 12 8.155 -0.837 -1.045 1.00 0.00 N ATOM 173 CA CYS A 12 9.252 -1.802 -1.055 1.00 0.00 C ATOM 174 C CYS A 12 8.818 -3.109 -0.391 1.00 0.00 C ATOM 175 O CYS A 12 9.093 -4.191 -0.913 1.00 0.00 O ATOM 176 CB CYS A 12 10.499 -1.269 -0.339 1.00 0.00 C ATOM 177 SG CYS A 12 11.177 0.182 -1.180 1.00 0.00 S ATOM 0 H CYS A 12 8.344 -0.002 -0.490 1.00 0.00 H new ATOM 0 HA CYS A 12 9.507 -1.978 -2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.247 -1.010 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.256 -2.052 -0.294 1.00 0.00 H new ATOM 0 HG CYS A 12 10.420 1.213 -0.946 1.00 0.00 H new ATOM 182 N GLU A 13 8.135 -3.021 0.756 1.00 0.00 N ATOM 183 CA GLU A 13 7.671 -4.195 1.482 1.00 0.00 C ATOM 184 C GLU A 13 6.646 -4.997 0.689 1.00 0.00 C ATOM 185 O GLU A 13 6.576 -6.202 0.895 1.00 0.00 O ATOM 186 CB GLU A 13 7.119 -3.857 2.874 1.00 0.00 C ATOM 187 CG GLU A 13 8.080 -3.056 3.759 1.00 0.00 C ATOM 188 CD GLU A 13 9.511 -3.599 3.752 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.696 -4.737 4.235 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.400 -2.884 3.234 1.00 0.00 O ATOM 0 H GLU A 13 7.892 -2.136 1.200 1.00 0.00 H new ATOM 0 HA GLU A 13 8.556 -4.816 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.195 -3.291 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.862 -4.785 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.092 -2.019 3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.705 -3.056 4.782 1.00 0.00 H new ATOM 197 N ILE A 14 5.905 -4.393 -0.251 1.00 0.00 N ATOM 198 CA ILE A 14 5.084 -5.143 -1.188 1.00 0.00 C ATOM 199 C ILE A 14 5.955 -6.138 -1.939 1.00 0.00 C ATOM 200 O ILE A 14 5.621 -7.321 -2.014 1.00 0.00 O ATOM 201 CB ILE A 14 4.379 -4.213 -2.181 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.519 -3.117 -1.563 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.561 -5.007 -3.208 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.437 -3.603 -0.629 1.00 0.00 C ATOM 0 H ILE A 14 5.863 -3.381 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 14 4.317 -5.674 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 14 5.199 -3.692 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.168 -2.432 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.054 -2.545 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.074 -4.317 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.222 -5.670 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.805 -5.599 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.881 -2.750 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.759 -4.263 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.889 -4.148 0.200 1.00 0.00 H new ATOM 216 N GLN A 15 7.067 -5.638 -2.492 1.00 0.00 N ATOM 217 CA GLN A 15 7.957 -6.422 -3.318 1.00 0.00 C ATOM 218 C GLN A 15 8.473 -7.562 -2.456 1.00 0.00 C ATOM 219 O GLN A 15 8.281 -8.725 -2.788 1.00 0.00 O ATOM 220 CB GLN A 15 9.113 -5.587 -3.906 1.00 0.00 C ATOM 221 CG GLN A 15 8.734 -4.204 -4.460 1.00 0.00 C ATOM 222 CD GLN A 15 7.455 -4.208 -5.295 1.00 0.00 C ATOM 223 OE1 GLN A 15 7.317 -4.962 -6.248 1.00 0.00 O ATOM 224 NE2 GLN A 15 6.489 -3.374 -4.936 1.00 0.00 N ATOM 0 H GLN A 15 7.365 -4.670 -2.370 1.00 0.00 H new ATOM 0 HA GLN A 15 7.416 -6.803 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.867 -5.451 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.579 -6.162 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.613 -3.510 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.555 -3.829 -5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.622 -2.752 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.613 -3.354 -5.457 1.00 0.00 H new ATOM 233 N LYS A 16 9.065 -7.231 -1.312 1.00 0.00 N ATOM 234 CA LYS A 16 9.738 -8.220 -0.494 1.00 0.00 C ATOM 235 C LYS A 16 8.744 -9.177 0.153 1.00 0.00 C ATOM 236 O LYS A 16 9.088 -10.344 0.325 1.00 0.00 O ATOM 237 CB LYS A 16 10.552 -7.508 0.599 1.00 0.00 C ATOM 238 CG LYS A 16 11.601 -6.505 0.078 1.00 0.00 C ATOM 239 CD LYS A 16 11.755 -5.356 1.081 1.00 0.00 C ATOM 240 CE LYS A 16 12.808 -4.350 0.616 1.00 0.00 C ATOM 241 NZ LYS A 16 12.992 -3.282 1.617 1.00 0.00 N ATOM 0 H LYS A 16 9.089 -6.283 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 16 10.399 -8.802 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.863 -6.981 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.059 -8.261 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.558 -7.006 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.296 -6.115 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.798 -4.851 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.036 -5.756 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.755 -4.861 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.505 -3.914 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.221 -2.390 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.116 -3.164 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.769 -3.538 2.259 1.00 0.00 H new ATOM 255 N CYS A 17 7.515 -8.736 0.459 1.00 0.00 N ATOM 256 CA CYS A 17 6.449 -9.638 0.854 1.00 0.00 C ATOM 257 C CYS A 17 6.256 -10.657 -0.252 1.00 0.00 C ATOM 258 O CYS A 17 6.174 -11.849 0.033 1.00 0.00 O ATOM 259 CB CYS A 17 5.143 -8.884 1.107 1.00 0.00 C ATOM 260 SG CYS A 17 3.690 -9.947 1.348 1.00 0.00 S ATOM 0 H CYS A 17 7.244 -7.753 0.437 1.00 0.00 H new ATOM 0 HA CYS A 17 6.724 -10.131 1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.267 -8.255 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.954 -8.218 0.265 1.00 0.00 H new ATOM 262 N LEU A 18 6.193 -10.201 -1.505 1.00 0.00 N ATOM 263 CA LEU A 18 6.032 -11.074 -2.646 1.00 0.00 C ATOM 264 C LEU A 18 7.183 -12.078 -2.714 1.00 0.00 C ATOM 265 O LEU A 18 6.916 -13.265 -2.887 1.00 0.00 O ATOM 266 CB LEU A 18 5.859 -10.245 -3.939 1.00 0.00 C ATOM 267 CG LEU A 18 4.443 -10.403 -4.514 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.526 -9.297 -3.984 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.448 -10.308 -6.045 1.00 0.00 C ATOM 0 H LEU A 18 6.253 -9.212 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 18 5.120 -11.660 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.054 -9.193 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.593 -10.563 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 18 4.082 -11.385 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.526 -9.422 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.476 -9.356 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.922 -8.325 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.431 -10.424 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.838 -9.336 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.078 -11.096 -6.456 1.00 0.00 H new ATOM 281 N GLN A 19 8.439 -11.644 -2.545 1.00 0.00 N ATOM 282 CA GLN A 19 9.587 -12.550 -2.472 1.00 0.00 C ATOM 283 C GLN A 19 9.429 -13.555 -1.331 1.00 0.00 C ATOM 284 O GLN A 19 9.599 -14.754 -1.554 1.00 0.00 O ATOM 285 CB GLN A 19 10.927 -11.789 -2.423 1.00 0.00 C ATOM 286 CG GLN A 19 11.371 -11.174 -3.770 1.00 0.00 C ATOM 287 CD GLN A 19 10.680 -9.852 -4.107 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.097 -8.806 -3.626 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.607 -9.849 -4.899 1.00 0.00 N ATOM 0 H GLN A 19 8.685 -10.658 -2.456 1.00 0.00 H new ATOM 0 HA GLN A 19 9.610 -13.127 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.850 -10.992 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.704 -12.471 -2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.449 -11.013 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.172 -11.890 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.264 -10.723 -5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.129 -8.972 -5.107 1.00 0.00 H new ATOM 298 N ALA A 20 9.019 -13.101 -0.146 1.00 0.00 N ATOM 299 CA ALA A 20 8.737 -13.953 1.000 1.00 0.00 C ATOM 300 C ALA A 20 7.543 -14.898 0.777 1.00 0.00 C ATOM 301 O ALA A 20 7.374 -15.830 1.559 1.00 0.00 O ATOM 302 CB ALA A 20 8.516 -13.074 2.237 1.00 0.00 C ATOM 0 H ALA A 20 8.872 -12.110 0.043 1.00 0.00 H new ATOM 0 HA ALA A 20 9.601 -14.601 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.304 -13.706 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.413 -12.485 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.674 -12.405 2.062 1.00 0.00 H new ATOM 308 N ASN A 21 6.723 -14.687 -0.265 1.00 0.00 N ATOM 309 CA ASN A 21 5.481 -15.413 -0.496 1.00 0.00 C ATOM 310 C ASN A 21 5.443 -16.078 -1.875 1.00 0.00 C ATOM 311 O ASN A 21 4.396 -16.592 -2.255 1.00 0.00 O ATOM 312 CB ASN A 21 4.290 -14.478 -0.252 1.00 0.00 C ATOM 313 CG ASN A 21 4.070 -14.284 1.244 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.448 -15.107 1.901 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.596 -13.212 1.812 1.00 0.00 N ATOM 0 H ASN A 21 6.917 -13.989 -0.983 1.00 0.00 H new ATOM 0 HA ASN A 21 5.419 -16.236 0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.471 -13.514 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.392 -14.895 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.486 -13.060 2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.111 -12.537 1.247 1.00 0.00 H new ATOM 322 N SER A 22 6.556 -16.100 -2.628 1.00 0.00 N ATOM 323 CA SER A 22 6.632 -16.720 -3.956 1.00 0.00 C ATOM 324 C SER A 22 5.605 -16.101 -4.904 1.00 0.00 C ATOM 325 O SER A 22 4.950 -16.773 -5.696 1.00 0.00 O ATOM 326 CB SER A 22 6.494 -18.239 -3.873 1.00 0.00 C ATOM 327 OG SER A 22 7.408 -18.760 -2.929 1.00 0.00 O ATOM 0 H SER A 22 7.436 -15.682 -2.326 1.00 0.00 H new ATOM 0 HA SER A 22 7.621 -16.517 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.476 -18.504 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.678 -18.682 -4.852 1.00 0.00 H new ATOM 0 HG SER A 22 7.310 -19.734 -2.882 1.00 0.00 H new ATOM 333 N TYR A 23 5.483 -14.781 -4.785 1.00 0.00 N ATOM 334 CA TYR A 23 4.782 -13.872 -5.664 1.00 0.00 C ATOM 335 C TYR A 23 3.263 -13.970 -5.591 1.00 0.00 C ATOM 336 O TYR A 23 2.543 -13.376 -6.393 1.00 0.00 O ATOM 337 CB TYR A 23 5.424 -13.943 -7.052 1.00 0.00 C ATOM 338 CG TYR A 23 6.945 -13.861 -7.005 1.00 0.00 C ATOM 339 CD1 TYR A 23 7.563 -13.032 -6.054 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.751 -14.705 -7.791 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.940 -12.988 -5.904 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.151 -14.700 -7.628 1.00 0.00 C ATOM 343 CZ TYR A 23 9.757 -13.825 -6.692 1.00 0.00 C ATOM 344 OH TYR A 23 11.106 -13.815 -6.508 1.00 0.00 O ATOM 0 H TYR A 23 5.911 -14.287 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 23 4.910 -12.847 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.130 -14.874 -7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.040 -13.129 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.947 -12.411 -5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.296 -15.358 -8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.386 -12.315 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.764 -15.365 -8.218 1.00 0.00 H new ATOM 0 HH TYR A 23 11.525 -14.448 -7.128 1.00 0.00 H new ATOM 354 N MET A 24 2.783 -14.646 -4.549 1.00 0.00 N ATOM 355 CA MET A 24 1.397 -14.695 -4.160 1.00 0.00 C ATOM 356 C MET A 24 0.969 -13.338 -3.606 1.00 0.00 C ATOM 357 O MET A 24 0.948 -13.119 -2.395 1.00 0.00 O ATOM 358 CB MET A 24 1.162 -15.840 -3.164 1.00 0.00 C ATOM 359 CG MET A 24 1.546 -17.189 -3.779 1.00 0.00 C ATOM 360 SD MET A 24 0.896 -18.627 -2.882 1.00 0.00 S ATOM 361 CE MET A 24 2.081 -18.699 -1.513 1.00 0.00 C ATOM 0 H MET A 24 3.385 -15.194 -3.934 1.00 0.00 H new ATOM 0 HA MET A 24 0.776 -14.903 -5.031 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.748 -15.668 -2.261 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.114 -15.858 -2.865 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.186 -17.223 -4.807 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.633 -17.261 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.741 -19.426 -0.775 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.058 -18.998 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.158 -17.717 -1.046 1.00 0.00 H new ATOM 371 N GLU A 25 0.567 -12.430 -4.500 1.00 0.00 N ATOM 372 CA GLU A 25 -0.064 -11.170 -4.132 1.00 0.00 C ATOM 373 C GLU A 25 -1.274 -11.397 -3.212 1.00 0.00 C ATOM 374 O GLU A 25 -1.586 -10.529 -2.403 1.00 0.00 O ATOM 375 CB GLU A 25 -0.473 -10.406 -5.401 1.00 0.00 C ATOM 376 CG GLU A 25 -0.536 -8.900 -5.123 1.00 0.00 C ATOM 377 CD GLU A 25 -1.485 -8.173 -6.075 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.076 -7.953 -7.236 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.606 -7.851 -5.615 1.00 0.00 O ATOM 0 H GLU A 25 0.674 -12.555 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 25 0.656 -10.571 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.242 -10.605 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.444 -10.759 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.860 -8.736 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.463 -8.474 -5.214 1.00 0.00 H new ATOM 386 N SER A 26 -1.910 -12.573 -3.282 1.00 0.00 N ATOM 387 CA SER A 26 -2.947 -13.058 -2.381 1.00 0.00 C ATOM 388 C SER A 26 -2.531 -12.984 -0.906 1.00 0.00 C ATOM 389 O SER A 26 -3.346 -12.638 -0.056 1.00 0.00 O ATOM 390 CB SER A 26 -3.254 -14.513 -2.753 1.00 0.00 C ATOM 391 OG SER A 26 -3.312 -14.674 -4.160 1.00 0.00 O ATOM 0 H SER A 26 -1.697 -13.248 -4.016 1.00 0.00 H new ATOM 0 HA SER A 26 -3.824 -12.421 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.487 -15.168 -2.339 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.203 -14.814 -2.309 1.00 0.00 H new ATOM 0 HG SER A 26 -3.507 -15.610 -4.374 1.00 0.00 H new ATOM 397 N LYS A 27 -1.266 -13.288 -0.598 1.00 0.00 N ATOM 398 CA LYS A 27 -0.687 -13.145 0.728 1.00 0.00 C ATOM 399 C LYS A 27 -0.449 -11.660 1.001 1.00 0.00 C ATOM 400 O LYS A 27 -0.823 -11.129 2.048 1.00 0.00 O ATOM 401 CB LYS A 27 0.639 -13.922 0.810 1.00 0.00 C ATOM 402 CG LYS A 27 0.528 -15.434 0.529 1.00 0.00 C ATOM 403 CD LYS A 27 0.236 -16.247 1.794 1.00 0.00 C ATOM 404 CE LYS A 27 0.173 -17.753 1.513 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.924 -18.114 0.596 1.00 0.00 N ATOM 0 H LYS A 27 -0.605 -13.649 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.368 -13.550 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.342 -13.487 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.063 -13.783 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.263 -15.607 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.457 -15.786 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.009 -16.050 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.711 -15.919 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.121 -18.079 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.047 -18.289 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.997 -19.150 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.819 -17.725 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.731 -17.722 -0.348 1.00 0.00 H new ATOM 419 N CYS A 28 0.155 -10.973 0.029 1.00 0.00 N ATOM 420 CA CYS A 28 0.574 -9.590 0.129 1.00 0.00 C ATOM 421 C CYS A 28 -0.597 -8.600 0.123 1.00 0.00 C ATOM 422 O CYS A 28 -0.366 -7.410 0.306 1.00 0.00 O ATOM 423 CB CYS A 28 1.660 -9.394 -0.925 1.00 0.00 C ATOM 424 SG CYS A 28 3.065 -10.484 -0.537 1.00 0.00 S ATOM 0 H CYS A 28 0.369 -11.387 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 28 1.009 -9.360 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.268 -9.623 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.984 -8.353 -0.943 1.00 0.00 H new ATOM 426 N GLN A 29 -1.854 -9.060 0.049 1.00 0.00 N ATOM 427 CA GLN A 29 -3.021 -8.215 0.317 1.00 0.00 C ATOM 428 C GLN A 29 -2.898 -7.561 1.708 1.00 0.00 C ATOM 429 O GLN A 29 -3.398 -6.451 1.894 1.00 0.00 O ATOM 430 CB GLN A 29 -4.338 -9.009 0.243 1.00 0.00 C ATOM 431 CG GLN A 29 -4.628 -9.713 -1.089 1.00 0.00 C ATOM 432 CD GLN A 29 -4.661 -8.783 -2.299 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.652 -8.107 -2.555 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.593 -8.765 -3.079 1.00 0.00 N ATOM 0 H GLN A 29 -2.087 -10.022 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.045 -7.446 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.331 -9.760 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.162 -8.328 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.869 -10.478 -1.254 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.587 -10.226 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.781 -9.336 -2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.581 -8.180 -3.915 1.00 0.00 H new ATOM 443 N ALA A 30 -2.193 -8.215 2.650 1.00 0.00 N ATOM 444 CA ALA A 30 -1.827 -7.689 3.960 1.00 0.00 C ATOM 445 C ALA A 30 -1.003 -6.414 3.850 1.00 0.00 C ATOM 446 O ALA A 30 -1.331 -5.388 4.438 1.00 0.00 O ATOM 447 CB ALA A 30 -0.976 -8.726 4.708 1.00 0.00 C ATOM 0 H ALA A 30 -1.852 -9.165 2.503 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.754 -7.471 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.702 -8.334 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.549 -9.645 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.073 -8.936 4.136 1.00 0.00 H new ATOM 453 N VAL A 31 0.116 -6.497 3.138 1.00 0.00 N ATOM 454 CA VAL A 31 1.071 -5.421 3.036 1.00 0.00 C ATOM 455 C VAL A 31 0.541 -4.338 2.092 1.00 0.00 C ATOM 456 O VAL A 31 0.836 -3.167 2.307 1.00 0.00 O ATOM 457 CB VAL A 31 2.429 -6.021 2.653 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.407 -6.648 1.268 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.574 -5.037 2.778 1.00 0.00 C ATOM 0 H VAL A 31 0.380 -7.329 2.611 1.00 0.00 H new ATOM 0 HA VAL A 31 1.217 -4.907 3.986 1.00 0.00 H new ATOM 0 HB VAL A 31 2.611 -6.812 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.390 -7.060 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.664 -7.445 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.151 -5.889 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.506 -5.525 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.395 -4.185 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.646 -4.692 3.809 1.00 0.00 H new ATOM 469 N ILE A 32 -0.300 -4.688 1.105 1.00 0.00 N ATOM 470 CA ILE A 32 -1.038 -3.724 0.314 1.00 0.00 C ATOM 471 C ILE A 32 -1.950 -2.968 1.286 1.00 0.00 C ATOM 472 O ILE A 32 -1.920 -1.741 1.286 1.00 0.00 O ATOM 473 CB ILE A 32 -1.754 -4.419 -0.871 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.745 -5.095 -1.835 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.573 -3.412 -1.695 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.348 -6.173 -2.737 1.00 0.00 C ATOM 0 H ILE A 32 -0.479 -5.657 0.842 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.393 -2.994 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.407 -5.171 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.292 -4.327 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.057 -5.540 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.064 -3.930 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.326 -2.948 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.911 -2.643 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.570 -6.590 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.775 -6.965 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.130 -5.734 -3.357 1.00 0.00 H new ATOM 488 N GLN A 33 -2.656 -3.659 2.192 1.00 0.00 N ATOM 489 CA GLN A 33 -3.397 -3.023 3.269 1.00 0.00 C ATOM 490 C GLN A 33 -2.516 -2.127 4.124 1.00 0.00 C ATOM 491 O GLN A 33 -2.956 -1.060 4.542 1.00 0.00 O ATOM 492 CB GLN A 33 -4.060 -4.078 4.168 1.00 0.00 C ATOM 493 CG GLN A 33 -5.559 -3.848 4.196 1.00 0.00 C ATOM 494 CD GLN A 33 -6.244 -3.985 2.827 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.196 -3.271 2.537 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.793 -4.877 1.950 1.00 0.00 N ATOM 0 H GLN A 33 -2.724 -4.677 2.191 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.160 -2.403 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.842 -5.079 3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.653 -4.019 5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.011 -4.558 4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.755 -2.850 4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.000 -5.472 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.240 -4.966 1.037 1.00 0.00 H new ATOM 505 N GLU A 34 -1.277 -2.533 4.390 1.00 0.00 N ATOM 506 CA GLU A 34 -0.427 -1.712 5.207 1.00 0.00 C ATOM 507 C GLU A 34 -0.025 -0.443 4.441 1.00 0.00 C ATOM 508 O GLU A 34 0.025 0.646 5.011 1.00 0.00 O ATOM 509 CB GLU A 34 0.783 -2.540 5.644 1.00 0.00 C ATOM 510 CG GLU A 34 1.606 -1.709 6.610 1.00 0.00 C ATOM 511 CD GLU A 34 2.811 -2.488 7.134 1.00 0.00 C ATOM 512 OE1 GLU A 34 3.794 -2.593 6.368 1.00 0.00 O ATOM 513 OE2 GLU A 34 2.724 -2.976 8.282 1.00 0.00 O ATOM 0 H GLU A 34 -0.860 -3.402 4.057 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.955 -1.384 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.458 -3.465 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.383 -2.821 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.947 -0.802 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.981 -1.397 7.447 1.00 0.00 H new ATOM 520 N LEU A 35 0.220 -0.568 3.134 1.00 0.00 N ATOM 521 CA LEU A 35 0.507 0.533 2.242 1.00 0.00 C ATOM 522 C LEU A 35 -0.733 1.428 2.146 1.00 0.00 C ATOM 523 O LEU A 35 -0.596 2.637 2.011 1.00 0.00 O ATOM 524 CB LEU A 35 0.977 -0.063 0.902 1.00 0.00 C ATOM 525 CG LEU A 35 1.966 0.746 0.053 1.00 0.00 C ATOM 526 CD1 LEU A 35 1.967 0.345 -1.421 1.00 0.00 C ATOM 527 CD2 LEU A 35 1.861 2.271 0.134 1.00 0.00 C ATOM 0 H LEU A 35 0.222 -1.473 2.663 1.00 0.00 H new ATOM 0 HA LEU A 35 1.309 1.177 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.432 -1.031 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.093 -0.251 0.293 1.00 0.00 H new ATOM 0 HG LEU A 35 2.909 0.473 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.688 0.956 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.241 -0.706 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.973 0.499 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.614 2.722 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.869 2.585 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.025 2.593 1.162 1.00 0.00 H new ATOM 539 N ARG A 36 -1.946 0.871 2.276 1.00 0.00 N ATOM 540 CA ARG A 36 -3.192 1.629 2.204 1.00 0.00 C ATOM 541 C ARG A 36 -3.283 2.493 3.446 1.00 0.00 C ATOM 542 O ARG A 36 -3.497 3.702 3.366 1.00 0.00 O ATOM 543 CB ARG A 36 -4.410 0.696 2.155 1.00 0.00 C ATOM 544 CG ARG A 36 -4.562 -0.242 0.956 1.00 0.00 C ATOM 545 CD ARG A 36 -5.763 0.149 0.123 1.00 0.00 C ATOM 546 NE ARG A 36 -6.000 -0.802 -0.977 1.00 0.00 N ATOM 547 CZ ARG A 36 -5.253 -0.901 -2.083 1.00 0.00 C ATOM 548 NH1 ARG A 36 -4.374 0.052 -2.378 1.00 0.00 N ATOM 549 NH2 ARG A 36 -5.358 -1.960 -2.882 1.00 0.00 N ATOM 0 H ARG A 36 -2.085 -0.127 2.435 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.192 2.233 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.395 0.083 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.305 1.316 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.661 -0.207 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.672 -1.269 1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.647 0.196 0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.612 1.148 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.795 -1.434 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.269 0.858 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.804 -0.023 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.013 -2.708 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.783 -2.024 -3.722 1.00 0.00 H new ATOM 563 N LYS A 37 -3.074 1.849 4.594 1.00 0.00 N ATOM 564 CA LYS A 37 -3.072 2.493 5.900 1.00 0.00 C ATOM 565 C LYS A 37 -1.975 3.551 5.978 1.00 0.00 C ATOM 566 O LYS A 37 -2.192 4.597 6.585 1.00 0.00 O ATOM 567 CB LYS A 37 -2.924 1.438 7.007 1.00 0.00 C ATOM 568 CG LYS A 37 -4.170 0.542 7.121 1.00 0.00 C ATOM 569 CD LYS A 37 -3.856 -0.732 7.914 1.00 0.00 C ATOM 570 CE LYS A 37 -5.074 -1.657 7.912 1.00 0.00 C ATOM 571 NZ LYS A 37 -4.797 -2.918 8.619 1.00 0.00 N ATOM 0 H LYS A 37 -2.898 0.845 4.639 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.024 3.003 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.050 0.819 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.747 1.936 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.974 1.091 7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.525 0.277 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.999 -1.243 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.584 -0.476 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.916 -1.152 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.367 -1.872 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.644 -3.521 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.009 -3.412 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.542 -2.714 9.606 1.00 0.00 H new ATOM 585 N CYS A 38 -0.825 3.308 5.336 1.00 0.00 N ATOM 586 CA CYS A 38 0.186 4.328 5.141 1.00 0.00 C ATOM 587 C CYS A 38 -0.400 5.457 4.304 1.00 0.00 C ATOM 588 O CYS A 38 -0.383 6.600 4.726 1.00 0.00 O ATOM 589 CB CYS A 38 1.435 3.766 4.454 1.00 0.00 C ATOM 590 SG CYS A 38 2.706 5.037 4.196 1.00 0.00 S ATOM 0 H CYS A 38 -0.580 2.399 4.943 1.00 0.00 H new ATOM 0 HA CYS A 38 0.489 4.701 6.119 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.848 2.959 5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.156 3.334 3.493 1.00 0.00 H new ATOM 592 N CYS A 39 -0.895 5.157 3.109 1.00 0.00 N ATOM 593 CA CYS A 39 -1.282 6.150 2.120 1.00 0.00 C ATOM 594 C CYS A 39 -2.345 7.101 2.648 1.00 0.00 C ATOM 595 O CYS A 39 -2.223 8.317 2.519 1.00 0.00 O ATOM 596 CB CYS A 39 -1.729 5.391 0.888 1.00 0.00 C ATOM 597 SG CYS A 39 -2.060 6.296 -0.640 1.00 0.00 S ATOM 0 H CYS A 39 -1.041 4.197 2.796 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.440 6.796 1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.965 4.646 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.637 4.848 1.150 1.00 0.00 H new ATOM 599 N ALA A 40 -3.345 6.534 3.319 1.00 0.00 N ATOM 600 CA ALA A 40 -4.469 7.264 3.869 1.00 0.00 C ATOM 601 C ALA A 40 -4.093 8.143 5.069 1.00 0.00 C ATOM 602 O ALA A 40 -4.954 8.839 5.604 1.00 0.00 O ATOM 603 CB ALA A 40 -5.581 6.272 4.229 1.00 0.00 C ATOM 0 H ALA A 40 -3.391 5.530 3.496 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.823 7.957 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.431 6.813 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.894 5.736 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.209 5.560 4.966 1.00 0.00 H new ATOM 609 N GLN A 41 -2.825 8.137 5.496 1.00 0.00 N ATOM 610 CA GLN A 41 -2.321 8.961 6.569 1.00 0.00 C ATOM 611 C GLN A 41 -1.947 10.361 6.062 1.00 0.00 C ATOM 612 O GLN A 41 -1.625 11.235 6.865 1.00 0.00 O ATOM 613 CB GLN A 41 -1.076 8.243 7.086 1.00 0.00 C ATOM 614 CG GLN A 41 -0.665 8.515 8.516 1.00 0.00 C ATOM 615 CD GLN A 41 0.525 7.632 8.897 1.00 0.00 C ATOM 616 OE1 GLN A 41 1.677 8.067 8.896 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.285 6.360 9.186 1.00 0.00 N ATOM 0 H GLN A 41 -2.111 7.537 5.084 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.072 9.097 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.236 7.170 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.240 8.507 6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.400 9.566 8.633 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.502 8.320 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.673 6.009 9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.058 5.733 9.410 1.00 0.00 H new ATOM 626 N TYR A 42 -1.955 10.564 4.737 1.00 0.00 N ATOM 627 CA TYR A 42 -1.383 11.708 4.073 1.00 0.00 C ATOM 628 C TYR A 42 -2.272 12.218 2.935 1.00 0.00 C ATOM 629 O TYR A 42 -3.046 11.445 2.370 1.00 0.00 O ATOM 630 CB TYR A 42 -0.045 11.286 3.474 1.00 0.00 C ATOM 631 CG TYR A 42 0.951 10.744 4.480 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.730 11.606 5.273 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.050 9.358 4.662 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.609 11.078 6.235 1.00 0.00 C ATOM 635 CE2 TYR A 42 1.955 8.815 5.585 1.00 0.00 C ATOM 636 CZ TYR A 42 2.712 9.679 6.408 1.00 0.00 C ATOM 637 OH TYR A 42 3.449 9.171 7.432 1.00 0.00 O ATOM 0 H TYR A 42 -2.380 9.902 4.088 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.274 12.508 4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.225 10.526 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.399 12.143 2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.653 12.675 5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.420 8.699 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.206 11.742 6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.073 7.745 5.666 1.00 0.00 H new ATOM 0 HH TYR A 42 2.921 8.500 7.914 1.00 0.00 H new ATOM 647 N PRO A 43 -2.124 13.491 2.528 1.00 0.00 N ATOM 648 CA PRO A 43 -2.683 13.965 1.270 1.00 0.00 C ATOM 649 C PRO A 43 -1.844 13.282 0.181 1.00 0.00 C ATOM 650 O PRO A 43 -0.660 13.582 0.061 1.00 0.00 O ATOM 651 CB PRO A 43 -2.529 15.490 1.306 1.00 0.00 C ATOM 652 CG PRO A 43 -1.328 15.724 2.228 1.00 0.00 C ATOM 653 CD PRO A 43 -1.372 14.544 3.201 1.00 0.00 C ATOM 0 HA PRO A 43 -3.733 13.737 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.352 15.896 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.427 15.972 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.393 15.745 1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.407 16.676 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.366 14.206 3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.853 14.829 4.137 1.00 0.00 H new ATOM 661 N LYS A 44 -2.421 12.343 -0.581 1.00 0.00 N ATOM 662 CA LYS A 44 -1.707 11.403 -1.458 1.00 0.00 C ATOM 663 C LYS A 44 -0.539 11.945 -2.296 1.00 0.00 C ATOM 664 O LYS A 44 0.445 11.225 -2.460 1.00 0.00 O ATOM 665 CB LYS A 44 -2.712 10.610 -2.307 1.00 0.00 C ATOM 666 CG LYS A 44 -3.534 11.466 -3.286 1.00 0.00 C ATOM 667 CD LYS A 44 -4.558 10.581 -4.001 1.00 0.00 C ATOM 668 CE LYS A 44 -5.439 11.392 -4.951 1.00 0.00 C ATOM 669 NZ LYS A 44 -6.406 10.526 -5.655 1.00 0.00 N ATOM 0 H LYS A 44 -3.432 12.212 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.183 10.746 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.172 9.851 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.396 10.084 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.042 12.267 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.875 11.939 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.039 9.803 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.184 10.079 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.974 12.158 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.813 11.909 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.990 11.104 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.893 9.811 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.018 10.052 -4.960 1.00 0.00 H new ATOM 683 N GLY A 45 -0.579 13.208 -2.744 1.00 0.00 N ATOM 684 CA GLY A 45 0.540 13.877 -3.417 1.00 0.00 C ATOM 685 C GLY A 45 1.843 13.901 -2.600 1.00 0.00 C ATOM 686 O GLY A 45 2.912 14.116 -3.167 1.00 0.00 O ATOM 0 H GLY A 45 -1.403 13.801 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.729 13.377 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.250 14.902 -3.648 1.00 0.00 H new ATOM 690 N ARG A 46 1.776 13.630 -1.289 1.00 0.00 N ATOM 691 CA ARG A 46 2.883 13.372 -0.377 1.00 0.00 C ATOM 692 C ARG A 46 3.793 12.247 -0.878 1.00 0.00 C ATOM 693 O ARG A 46 4.948 12.161 -0.451 1.00 0.00 O ATOM 694 CB ARG A 46 2.220 12.973 0.955 1.00 0.00 C ATOM 695 CG ARG A 46 3.124 12.415 2.057 1.00 0.00 C ATOM 696 CD ARG A 46 3.998 13.460 2.736 1.00 0.00 C ATOM 697 NE ARG A 46 5.160 13.745 1.882 1.00 0.00 N ATOM 698 CZ ARG A 46 5.715 14.926 1.600 1.00 0.00 C ATOM 699 NH1 ARG A 46 5.357 16.051 2.209 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.638 14.993 0.649 1.00 0.00 N ATOM 0 H ARG A 46 0.877 13.584 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 46 3.523 14.249 -0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.709 13.850 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.454 12.228 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.503 11.932 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.765 11.644 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.427 14.372 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.327 13.099 3.710 1.00 0.00 H new ATOM 0 HE ARG A 46 5.600 12.934 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.630 16.035 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.809 16.931 1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.914 14.150 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.072 15.888 0.421 1.00 0.00 H new ATOM 714 N SER A 47 3.279 11.335 -1.709 1.00 0.00 N ATOM 715 CA SER A 47 3.988 10.138 -2.071 1.00 0.00 C ATOM 716 C SER A 47 3.678 9.707 -3.492 1.00 0.00 C ATOM 717 O SER A 47 2.534 9.700 -3.952 1.00 0.00 O ATOM 718 CB SER A 47 3.685 9.075 -1.018 1.00 0.00 C ATOM 719 OG SER A 47 3.929 7.762 -1.467 1.00 0.00 O ATOM 0 H SER A 47 2.359 11.420 -2.141 1.00 0.00 H new ATOM 0 HA SER A 47 5.063 10.315 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.291 9.267 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.641 9.160 -0.715 1.00 0.00 H new ATOM 0 HG SER A 47 4.784 7.446 -1.106 1.00 0.00 H new ATOM 725 N VAL A 48 4.749 9.303 -4.169 1.00 0.00 N ATOM 726 CA VAL A 48 4.724 8.787 -5.519 1.00 0.00 C ATOM 727 C VAL A 48 3.987 7.454 -5.513 1.00 0.00 C ATOM 728 O VAL A 48 3.019 7.284 -6.251 1.00 0.00 O ATOM 729 CB VAL A 48 6.146 8.652 -6.102 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.027 8.325 -7.596 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.989 9.926 -5.919 1.00 0.00 C ATOM 0 H VAL A 48 5.688 9.330 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 48 4.197 9.488 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 48 6.658 7.856 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.023 8.225 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.482 7.389 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.491 9.128 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.979 9.772 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.501 10.761 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.085 10.149 -4.856 1.00 0.00 H new ATOM 741 N VAL A 49 4.415 6.516 -4.657 1.00 0.00 N ATOM 742 CA VAL A 49 3.796 5.206 -4.596 1.00 0.00 C ATOM 743 C VAL A 49 2.321 5.358 -4.230 1.00 0.00 C ATOM 744 O VAL A 49 1.487 4.789 -4.921 1.00 0.00 O ATOM 745 CB VAL A 49 4.564 4.246 -3.669 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.073 4.277 -3.932 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.379 4.541 -2.183 1.00 0.00 C ATOM 0 H VAL A 49 5.186 6.650 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 49 3.845 4.739 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 49 4.138 3.270 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.575 3.585 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.269 3.983 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.451 5.286 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.951 3.823 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.731 5.549 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.323 4.462 -1.925 1.00 0.00 H new ATOM 757 N CYS A 50 1.992 6.179 -3.219 1.00 0.00 N ATOM 758 CA CYS A 50 0.638 6.403 -2.727 1.00 0.00 C ATOM 759 C CYS A 50 -0.221 7.041 -3.829 1.00 0.00 C ATOM 760 O CYS A 50 -1.417 6.767 -3.908 1.00 0.00 O ATOM 761 CB CYS A 50 0.729 7.322 -1.504 1.00 0.00 C ATOM 762 SG CYS A 50 -0.800 7.890 -0.716 1.00 0.00 S ATOM 0 H CYS A 50 2.691 6.720 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 50 0.169 5.460 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.317 6.804 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.296 8.206 -1.798 1.00 0.00 H new ATOM 764 N SER A 51 0.389 7.832 -4.725 1.00 0.00 N ATOM 765 CA SER A 51 -0.279 8.366 -5.899 1.00 0.00 C ATOM 766 C SER A 51 -0.612 7.253 -6.906 1.00 0.00 C ATOM 767 O SER A 51 -1.608 7.372 -7.618 1.00 0.00 O ATOM 768 CB SER A 51 0.566 9.479 -6.525 1.00 0.00 C ATOM 769 OG SER A 51 0.766 10.533 -5.599 1.00 0.00 O ATOM 0 H SER A 51 1.366 8.115 -4.646 1.00 0.00 H new ATOM 0 HA SER A 51 -1.230 8.802 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.529 9.078 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.071 9.861 -7.418 1.00 0.00 H new ATOM 0 HG SER A 51 1.483 10.290 -4.977 1.00 0.00 H new ATOM 775 N GLY A 52 0.153 6.147 -6.937 1.00 0.00 N ATOM 776 CA GLY A 52 -0.255 4.936 -7.669 1.00 0.00 C ATOM 777 C GLY A 52 -1.399 4.252 -6.972 1.00 0.00 C ATOM 778 O GLY A 52 -2.335 3.694 -7.542 1.00 0.00 O ATOM 0 H GLY A 52 1.054 6.067 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.548 5.201 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.590 4.252 -7.749 1.00 0.00 H new ATOM 782 N PHE A 53 -1.238 4.265 -5.671 1.00 0.00 N ATOM 783 CA PHE A 53 -1.941 3.430 -4.779 1.00 0.00 C ATOM 784 C PHE A 53 -3.354 3.816 -4.469 1.00 0.00 C ATOM 785 O PHE A 53 -4.189 2.938 -4.319 1.00 0.00 O ATOM 786 CB PHE A 53 -1.103 3.440 -3.536 1.00 0.00 C ATOM 787 CG PHE A 53 -1.204 2.130 -2.916 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.805 0.987 -3.635 1.00 0.00 C ATOM 789 CD2 PHE A 53 -1.699 2.091 -1.627 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.922 -0.264 -3.021 1.00 0.00 C ATOM 791 CE2 PHE A 53 -1.727 0.863 -1.021 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.374 -0.302 -1.693 1.00 0.00 C ATOM 0 H PHE A 53 -0.582 4.891 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.071 2.451 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.065 3.668 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.448 4.214 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.417 1.075 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.046 2.982 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.673 -1.171 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.033 0.797 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.449 -1.252 -1.185 1.00 0.00 H new ATOM 802 N GLU A 54 -3.634 5.103 -4.387 1.00 0.00 N ATOM 803 CA GLU A 54 -5.001 5.570 -4.319 1.00 0.00 C ATOM 804 C GLU A 54 -5.748 5.263 -5.618 1.00 0.00 C ATOM 805 O GLU A 54 -6.947 4.994 -5.551 1.00 0.00 O ATOM 806 CB GLU A 54 -5.027 7.040 -3.902 1.00 0.00 C ATOM 807 CG GLU A 54 -4.929 7.115 -2.367 1.00 0.00 C ATOM 808 CD GLU A 54 -6.314 7.182 -1.724 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.028 6.157 -1.799 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.645 8.265 -1.193 1.00 0.00 O ATOM 0 H GLU A 54 -2.931 5.842 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.546 5.027 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.198 7.579 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.946 7.515 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.393 6.243 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.350 7.993 -2.080 1.00 0.00 H new