USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 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 36 HIS : no HD1:sc= -0.294 X(o=-1.1,f=-0.8) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 16 TYR OH : rot 165:sc= 0.777 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -68:sc= 0.556 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -172:sc= -0.213 (180deg=-0.225) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.185 K(o=0.19,f=-12!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.611 9.650 -0.777 1.00 0.00 N ATOM 67 CA ARG A 8 -5.186 9.757 -1.065 1.00 0.00 C ATOM 68 C ARG A 8 -4.705 8.561 -1.882 1.00 0.00 C ATOM 69 O ARG A 8 -5.259 7.466 -1.782 1.00 0.00 O ATOM 70 CB ARG A 8 -4.387 9.853 0.236 1.00 0.00 C ATOM 71 CG ARG A 8 -2.914 10.164 0.025 1.00 0.00 C ATOM 72 CD ARG A 8 -2.220 10.494 1.337 1.00 0.00 C ATOM 73 NE ARG A 8 -1.037 11.327 1.137 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.284 11.786 2.130 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.590 11.494 3.387 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.777 12.538 1.868 1.00 0.00 N ATOM 0 HA ARG A 8 -5.026 10.663 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.826 10.627 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.477 8.912 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.424 9.310 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.813 11.004 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.918 11.009 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.932 9.569 1.837 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.775 11.570 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.405 10.916 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.010 11.847 4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.016 12.765 0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.354 12.890 2.632 1.00 0.00 H new ATOM 90 N ARG A 9 -3.673 8.780 -2.689 1.00 0.00 N ATOM 91 CA ARG A 9 -3.119 7.721 -3.525 1.00 0.00 C ATOM 92 C ARG A 9 -1.682 7.405 -3.121 1.00 0.00 C ATOM 93 O ARG A 9 -0.871 8.308 -2.913 1.00 0.00 O ATOM 94 CB ARG A 9 -3.168 8.127 -4.999 1.00 0.00 C ATOM 95 CG ARG A 9 -4.492 7.809 -5.674 1.00 0.00 C ATOM 96 CD ARG A 9 -4.326 7.648 -7.177 1.00 0.00 C ATOM 97 NE ARG A 9 -4.440 8.923 -7.880 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.570 9.615 -7.968 1.00 0.00 C ATOM 99 NH1 ARG A 9 -6.678 9.158 -7.399 1.00 0.00 N ATOM 100 NH2 ARG A 9 -5.595 10.768 -8.625 1.00 0.00 N ATOM 0 H ARG A 9 -3.203 9.681 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.724 6.826 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.977 9.197 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.366 7.619 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.906 6.893 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.207 8.606 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.354 7.203 -7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.081 6.958 -7.553 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.606 9.303 -8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.663 8.273 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.544 9.692 -7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.745 11.124 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.464 11.298 -8.692 1.00 0.00 H new ATOM 114 N VAL A 10 -1.373 6.117 -3.010 1.00 0.00 N ATOM 115 CA VAL A 10 -0.034 5.681 -2.632 1.00 0.00 C ATOM 116 C VAL A 10 0.429 4.515 -3.497 1.00 0.00 C ATOM 117 O VAL A 10 -0.381 3.715 -3.964 1.00 0.00 O ATOM 118 CB VAL A 10 0.022 5.261 -1.151 1.00 0.00 C ATOM 119 CG1 VAL A 10 0.038 6.486 -0.249 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.151 4.354 -0.810 1.00 0.00 C ATOM 0 H VAL A 10 -2.032 5.357 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 10 0.631 6.531 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 10 0.944 4.704 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.078 6.170 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.913 7.094 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.865 7.073 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.096 4.067 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.086 4.884 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.113 3.460 -1.433 1.00 0.00 H new ATOM 130 N ARG A 11 1.739 4.424 -3.706 1.00 0.00 N ATOM 131 CA ARG A 11 2.311 3.355 -4.516 1.00 0.00 C ATOM 132 C ARG A 11 3.310 2.534 -3.706 1.00 0.00 C ATOM 133 O ARG A 11 4.084 3.080 -2.920 1.00 0.00 O ATOM 134 CB ARG A 11 2.997 3.936 -5.754 1.00 0.00 C ATOM 135 CG ARG A 11 3.971 2.977 -6.417 1.00 0.00 C ATOM 136 CD ARG A 11 4.593 3.587 -7.663 1.00 0.00 C ATOM 137 NE ARG A 11 5.922 3.046 -7.933 1.00 0.00 N ATOM 138 CZ ARG A 11 6.725 3.508 -8.885 1.00 0.00 C ATOM 139 NH1 ARG A 11 6.335 4.515 -9.654 1.00 0.00 N ATOM 140 NH2 ARG A 11 7.921 2.963 -9.069 1.00 0.00 N ATOM 0 H ARG A 11 2.424 5.078 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 11 1.500 2.699 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.236 4.226 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.530 4.844 -5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.757 2.709 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.453 2.056 -6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.945 3.401 -8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.660 4.668 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 11 6.252 2.270 -7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.417 4.937 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.953 4.868 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.225 2.188 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.537 3.319 -9.800 1.00 0.00 H new ATOM 154 N ALA A 12 3.286 1.220 -3.903 1.00 0.00 N ATOM 155 CA ALA A 12 4.190 0.325 -3.193 1.00 0.00 C ATOM 156 C ALA A 12 5.615 0.452 -3.719 1.00 0.00 C ATOM 157 O ALA A 12 5.874 0.210 -4.899 1.00 0.00 O ATOM 158 CB ALA A 12 3.708 -1.114 -3.310 1.00 0.00 C ATOM 0 H ALA A 12 2.650 0.752 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 12 4.193 0.612 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.393 -1.772 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.711 -1.200 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.675 -1.402 -4.361 1.00 0.00 H new ATOM 164 N ILE A 13 6.534 0.832 -2.839 1.00 0.00 N ATOM 165 CA ILE A 13 7.933 0.991 -3.216 1.00 0.00 C ATOM 166 C ILE A 13 8.651 -0.354 -3.242 1.00 0.00 C ATOM 167 O ILE A 13 9.675 -0.512 -3.910 1.00 0.00 O ATOM 168 CB ILE A 13 8.673 1.936 -2.252 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.729 1.328 -0.849 1.00 0.00 C ATOM 170 CG2 ILE A 13 7.992 3.297 -2.218 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.743 1.991 0.057 1.00 0.00 C ATOM 0 H ILE A 13 6.335 1.036 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 13 7.942 1.426 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 13 9.694 2.070 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.743 1.400 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.966 0.267 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.526 3.954 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.999 3.732 -3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.962 3.180 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.728 1.509 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.737 1.896 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.495 3.047 0.169 1.00 0.00 H new ATOM 183 N LEU A 14 8.108 -1.323 -2.513 1.00 0.00 N ATOM 184 CA LEU A 14 8.696 -2.657 -2.453 1.00 0.00 C ATOM 185 C LEU A 14 7.613 -3.723 -2.327 1.00 0.00 C ATOM 186 O LEU A 14 6.489 -3.455 -1.901 1.00 0.00 O ATOM 187 CB LEU A 14 9.666 -2.756 -1.275 1.00 0.00 C ATOM 188 CG LEU A 14 11.101 -2.302 -1.546 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.873 -2.167 -0.243 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.799 -3.276 -2.484 1.00 0.00 C ATOM 0 H LEU A 14 7.262 -1.210 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 14 9.243 -2.829 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.268 -2.163 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.692 -3.792 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 14 11.069 -1.325 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.892 -1.843 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.384 -1.431 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.897 -3.130 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.819 -2.938 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.821 -4.267 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.258 -3.322 -3.429 1.00 0.00 H new ATOM 202 N PRO A 15 7.957 -4.964 -2.703 1.00 0.00 N ATOM 203 CA PRO A 15 7.029 -6.097 -2.638 1.00 0.00 C ATOM 204 C PRO A 15 6.721 -6.512 -1.204 1.00 0.00 C ATOM 205 O PRO A 15 7.587 -6.455 -0.331 1.00 0.00 O ATOM 206 CB PRO A 15 7.781 -7.213 -3.368 1.00 0.00 C ATOM 207 CG PRO A 15 9.220 -6.859 -3.223 1.00 0.00 C ATOM 208 CD PRO A 15 9.279 -5.356 -3.221 1.00 0.00 C ATOM 0 HA PRO A 15 6.061 -5.857 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.567 -8.187 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.490 -7.266 -4.417 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.631 -7.267 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.808 -7.271 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.085 -4.986 -2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.453 -4.959 -4.221 1.00 0.00 H new ATOM 216 N TYR A 16 5.483 -6.931 -0.968 1.00 0.00 N ATOM 217 CA TYR A 16 5.059 -7.354 0.362 1.00 0.00 C ATOM 218 C TYR A 16 4.214 -8.622 0.287 1.00 0.00 C ATOM 219 O TYR A 16 3.418 -8.799 -0.636 1.00 0.00 O ATOM 220 CB TYR A 16 4.267 -6.239 1.047 1.00 0.00 C ATOM 221 CG TYR A 16 3.771 -6.609 2.426 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.656 -6.769 3.485 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.416 -6.800 2.671 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.208 -7.107 4.747 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.958 -7.137 3.930 1.00 0.00 C ATOM 226 CZ TYR A 16 2.858 -7.289 4.965 1.00 0.00 C ATOM 227 OH TYR A 16 2.406 -7.627 6.220 1.00 0.00 O ATOM 0 H TYR A 16 4.755 -6.987 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 16 5.952 -7.569 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.895 -5.352 1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.414 -5.974 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.714 -6.626 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.709 -6.683 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.910 -7.228 5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.902 -7.281 4.103 1.00 0.00 H new ATOM 0 HH TYR A 16 1.437 -7.487 6.267 1.00 0.00 H new ATOM 237 N THR A 17 4.393 -9.503 1.266 1.00 0.00 N ATOM 238 CA THR A 17 3.648 -10.756 1.312 1.00 0.00 C ATOM 239 C THR A 17 2.593 -10.728 2.413 1.00 0.00 C ATOM 240 O THR A 17 2.906 -10.896 3.592 1.00 0.00 O ATOM 241 CB THR A 17 4.584 -11.957 1.544 1.00 0.00 C ATOM 242 OG1 THR A 17 5.578 -12.010 0.515 1.00 0.00 O ATOM 243 CG2 THR A 17 3.797 -13.259 1.564 1.00 0.00 C ATOM 0 H THR A 17 5.047 -9.372 2.038 1.00 0.00 H new ATOM 0 HA THR A 17 3.157 -10.868 0.345 1.00 0.00 H new ATOM 0 HB THR A 17 5.070 -11.829 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.170 -12.775 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.478 -14.094 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.061 -13.227 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.287 -13.391 0.610 1.00 0.00 H new ATOM 251 N LYS A 18 1.342 -10.515 2.021 1.00 0.00 N ATOM 252 CA LYS A 18 0.239 -10.467 2.973 1.00 0.00 C ATOM 253 C LYS A 18 0.396 -11.543 4.042 1.00 0.00 C ATOM 254 O LYS A 18 1.049 -12.563 3.820 1.00 0.00 O ATOM 255 CB LYS A 18 -1.097 -10.645 2.248 1.00 0.00 C ATOM 256 CG LYS A 18 -1.349 -12.067 1.778 1.00 0.00 C ATOM 257 CD LYS A 18 -2.835 -12.366 1.678 1.00 0.00 C ATOM 258 CE LYS A 18 -3.400 -12.838 3.009 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.791 -13.352 2.871 1.00 0.00 N ATOM 0 H LYS A 18 1.066 -10.373 1.049 1.00 0.00 H new ATOM 0 HA LYS A 18 0.254 -9.491 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.905 -10.343 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.126 -9.976 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.880 -12.218 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.882 -12.768 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.366 -11.471 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.003 -13.130 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.762 -13.622 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.387 -12.014 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.140 -13.664 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.406 -12.597 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.800 -14.155 2.210 1.00 0.00 H new ATOM 273 N VAL A 19 -0.208 -11.310 5.203 1.00 0.00 N ATOM 274 CA VAL A 19 -0.137 -12.262 6.306 1.00 0.00 C ATOM 275 C VAL A 19 -1.402 -13.109 6.383 1.00 0.00 C ATOM 276 O VAL A 19 -2.518 -12.620 6.210 1.00 0.00 O ATOM 277 CB VAL A 19 0.070 -11.544 7.653 1.00 0.00 C ATOM 278 CG1 VAL A 19 0.055 -12.545 8.799 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.369 -10.754 7.642 1.00 0.00 C ATOM 0 H VAL A 19 -0.752 -10.471 5.404 1.00 0.00 H new ATOM 0 HA VAL A 19 0.718 -12.909 6.112 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.752 -10.844 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.203 -12.020 9.743 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.904 -13.062 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.856 -13.271 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.499 -10.253 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.205 -11.431 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.336 -10.010 6.846 1.00 0.00 H new ATOM 289 N PRO A 20 -1.225 -14.412 6.648 1.00 0.00 N ATOM 290 CA PRO A 20 -2.341 -15.357 6.755 1.00 0.00 C ATOM 291 C PRO A 20 -3.186 -15.116 8.001 1.00 0.00 C ATOM 292 O PRO A 20 -2.702 -14.580 8.998 1.00 0.00 O ATOM 293 CB PRO A 20 -1.647 -16.719 6.834 1.00 0.00 C ATOM 294 CG PRO A 20 -0.296 -16.424 7.387 1.00 0.00 C ATOM 295 CD PRO A 20 0.077 -15.064 6.865 1.00 0.00 C ATOM 0 HA PRO A 20 -3.035 -15.265 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.196 -17.407 7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.579 -17.186 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.310 -16.433 8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.428 -17.175 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.688 -14.513 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.651 -15.132 5.941 1.00 0.00 H new ATOM 303 N ASP A 21 -4.451 -15.517 7.939 1.00 0.00 N ATOM 304 CA ASP A 21 -5.364 -15.347 9.064 1.00 0.00 C ATOM 305 C ASP A 21 -5.701 -13.874 9.271 1.00 0.00 C ATOM 306 O ASP A 21 -5.929 -13.430 10.397 1.00 0.00 O ATOM 307 CB ASP A 21 -4.750 -15.927 10.339 1.00 0.00 C ATOM 308 CG ASP A 21 -3.954 -17.190 10.075 1.00 0.00 C ATOM 309 OD1 ASP A 21 -4.553 -18.181 9.608 1.00 0.00 O ATOM 310 OD2 ASP A 21 -2.733 -17.188 10.337 1.00 0.00 O ATOM 0 H ASP A 21 -4.868 -15.962 7.121 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.285 -15.884 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.101 -15.181 10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.543 -16.144 11.055 1.00 0.00 H new ATOM 315 N THR A 22 -5.731 -13.119 8.178 1.00 0.00 N ATOM 316 CA THR A 22 -6.038 -11.695 8.240 1.00 0.00 C ATOM 317 C THR A 22 -6.638 -11.205 6.927 1.00 0.00 C ATOM 318 O THR A 22 -6.867 -11.989 6.006 1.00 0.00 O ATOM 319 CB THR A 22 -4.783 -10.863 8.560 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.822 -11.001 7.508 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.165 -11.302 9.879 1.00 0.00 C ATOM 0 H THR A 22 -5.546 -13.470 7.238 1.00 0.00 H new ATOM 0 HA THR A 22 -6.766 -11.563 9.041 1.00 0.00 H new ATOM 0 HB THR A 22 -5.079 -9.818 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.477 -11.918 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.280 -10.700 10.084 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.889 -11.168 10.683 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.883 -12.353 9.817 1.00 0.00 H new ATOM 329 N ASP A 23 -6.890 -9.903 6.847 1.00 0.00 N ATOM 330 CA ASP A 23 -7.461 -9.307 5.645 1.00 0.00 C ATOM 331 C ASP A 23 -6.390 -8.583 4.835 1.00 0.00 C ATOM 332 O ASP A 23 -6.700 -7.790 3.947 1.00 0.00 O ATOM 333 CB ASP A 23 -8.582 -8.335 6.016 1.00 0.00 C ATOM 334 CG ASP A 23 -9.915 -9.032 6.202 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.645 -9.195 5.201 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.229 -9.415 7.348 1.00 0.00 O ATOM 0 H ASP A 23 -6.708 -9.240 7.601 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.873 -10.109 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.317 -7.813 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.676 -7.579 5.236 1.00 0.00 H new ATOM 341 N GLU A 24 -5.128 -8.861 5.150 1.00 0.00 N ATOM 342 CA GLU A 24 -4.012 -8.234 4.452 1.00 0.00 C ATOM 343 C GLU A 24 -3.924 -8.728 3.011 1.00 0.00 C ATOM 344 O GLU A 24 -4.223 -9.887 2.722 1.00 0.00 O ATOM 345 CB GLU A 24 -2.699 -8.522 5.183 1.00 0.00 C ATOM 346 CG GLU A 24 -2.669 -8.003 6.610 1.00 0.00 C ATOM 347 CD GLU A 24 -1.260 -7.753 7.111 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.452 -7.182 6.349 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.964 -8.129 8.265 1.00 0.00 O ATOM 0 H GLU A 24 -4.854 -9.515 5.883 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.184 -7.158 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.528 -9.598 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.877 -8.074 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.241 -7.077 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.161 -8.722 7.265 1.00 0.00 H new ATOM 356 N ILE A 25 -3.513 -7.840 2.112 1.00 0.00 N ATOM 357 CA ILE A 25 -3.386 -8.186 0.701 1.00 0.00 C ATOM 358 C ILE A 25 -1.941 -8.054 0.231 1.00 0.00 C ATOM 359 O ILE A 25 -1.208 -7.175 0.685 1.00 0.00 O ATOM 360 CB ILE A 25 -4.284 -7.297 -0.179 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.938 -5.821 0.029 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.751 -7.552 0.133 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.452 -4.919 -1.072 1.00 0.00 C ATOM 0 H ILE A 25 -3.262 -6.877 2.335 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.705 -9.223 0.600 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.106 -7.549 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.352 -5.490 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.855 -5.716 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.373 -6.916 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.988 -8.598 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.945 -7.325 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.170 -3.888 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.019 -5.224 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.538 -4.994 -1.127 1.00 0.00 H new ATOM 375 N SER A 26 -1.539 -8.932 -0.682 1.00 0.00 N ATOM 376 CA SER A 26 -0.182 -8.915 -1.213 1.00 0.00 C ATOM 377 C SER A 26 -0.094 -8.030 -2.453 1.00 0.00 C ATOM 378 O SER A 26 -1.051 -7.918 -3.219 1.00 0.00 O ATOM 379 CB SER A 26 0.273 -10.335 -1.553 1.00 0.00 C ATOM 380 OG SER A 26 -0.087 -10.682 -2.880 1.00 0.00 O ATOM 0 H SER A 26 -2.134 -9.664 -1.069 1.00 0.00 H new ATOM 0 HA SER A 26 0.476 -8.504 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.354 -10.412 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.176 -11.041 -0.855 1.00 0.00 H new ATOM 0 HG SER A 26 0.216 -11.594 -3.074 1.00 0.00 H new ATOM 386 N PHE A 27 1.062 -7.401 -2.643 1.00 0.00 N ATOM 387 CA PHE A 27 1.276 -6.525 -3.788 1.00 0.00 C ATOM 388 C PHE A 27 2.735 -6.559 -4.234 1.00 0.00 C ATOM 389 O PHE A 27 3.592 -7.118 -3.549 1.00 0.00 O ATOM 390 CB PHE A 27 0.870 -5.091 -3.443 1.00 0.00 C ATOM 391 CG PHE A 27 1.341 -4.644 -2.089 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.621 -4.964 -0.949 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.505 -3.904 -1.955 1.00 0.00 C ATOM 394 CE1 PHE A 27 1.052 -4.554 0.298 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.942 -3.491 -0.710 1.00 0.00 C ATOM 396 CZ PHE A 27 2.215 -3.817 0.418 1.00 0.00 C ATOM 0 H PHE A 27 1.864 -7.482 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 27 0.655 -6.884 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.271 -4.416 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.216 -5.009 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.288 -5.541 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.078 -3.647 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.481 -4.809 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.851 -2.914 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.555 -3.497 1.392 1.00 0.00 H new ATOM 406 N LEU A 28 3.009 -5.958 -5.387 1.00 0.00 N ATOM 407 CA LEU A 28 4.364 -5.919 -5.926 1.00 0.00 C ATOM 408 C LEU A 28 4.823 -4.481 -6.142 1.00 0.00 C ATOM 409 O LEU A 28 4.010 -3.558 -6.187 1.00 0.00 O ATOM 410 CB LEU A 28 4.431 -6.691 -7.245 1.00 0.00 C ATOM 411 CG LEU A 28 4.332 -8.213 -7.138 1.00 0.00 C ATOM 412 CD1 LEU A 28 5.554 -8.780 -6.432 1.00 0.00 C ATOM 413 CD2 LEU A 28 3.058 -8.614 -6.408 1.00 0.00 C ATOM 0 H LEU A 28 2.311 -5.491 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 28 5.030 -6.389 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.626 -6.339 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.369 -6.442 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 28 4.296 -8.627 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.465 -9.864 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.451 -8.523 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.622 -8.359 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.004 -9.701 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.064 -8.188 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.192 -8.241 -6.955 1.00 0.00 H new ATOM 425 N LYS A 29 6.132 -4.297 -6.276 1.00 0.00 N ATOM 426 CA LYS A 29 6.701 -2.972 -6.491 1.00 0.00 C ATOM 427 C LYS A 29 5.991 -2.253 -7.633 1.00 0.00 C ATOM 428 O LYS A 29 5.801 -2.816 -8.710 1.00 0.00 O ATOM 429 CB LYS A 29 8.197 -3.080 -6.794 1.00 0.00 C ATOM 430 CG LYS A 29 8.901 -1.736 -6.872 1.00 0.00 C ATOM 431 CD LYS A 29 10.407 -1.901 -6.985 1.00 0.00 C ATOM 432 CE LYS A 29 11.129 -0.578 -6.778 1.00 0.00 C ATOM 433 NZ LYS A 29 12.608 -0.735 -6.859 1.00 0.00 N ATOM 0 H LYS A 29 6.819 -5.050 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 29 6.562 -2.392 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.673 -3.685 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.331 -3.606 -7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.530 -1.179 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.664 -1.148 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.751 -2.624 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.657 -2.304 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.798 0.138 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.860 -0.166 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.064 0.188 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.927 -1.399 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.867 -1.104 -7.796 1.00 0.00 H new ATOM 447 N GLY A 30 5.602 -1.005 -7.390 1.00 0.00 N ATOM 448 CA GLY A 30 4.918 -0.230 -8.409 1.00 0.00 C ATOM 449 C GLY A 30 3.412 -0.250 -8.239 1.00 0.00 C ATOM 450 O GLY A 30 2.729 0.716 -8.582 1.00 0.00 O ATOM 0 H GLY A 30 5.748 -0.517 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.271 0.801 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.175 -0.622 -9.393 1.00 0.00 H new ATOM 454 N ASP A 31 2.892 -1.351 -7.709 1.00 0.00 N ATOM 455 CA ASP A 31 1.457 -1.493 -7.494 1.00 0.00 C ATOM 456 C ASP A 31 0.887 -0.261 -6.799 1.00 0.00 C ATOM 457 O ASP A 31 1.465 0.244 -5.837 1.00 0.00 O ATOM 458 CB ASP A 31 1.164 -2.744 -6.664 1.00 0.00 C ATOM 459 CG ASP A 31 1.249 -4.016 -7.484 1.00 0.00 C ATOM 460 OD1 ASP A 31 2.225 -4.166 -8.248 1.00 0.00 O ATOM 461 OD2 ASP A 31 0.338 -4.862 -7.362 1.00 0.00 O ATOM 0 H ASP A 31 3.443 -2.159 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 31 0.978 -1.593 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.871 -2.801 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.168 -2.662 -6.228 1.00 0.00 H new ATOM 466 N MET A 32 -0.250 0.218 -7.293 1.00 0.00 N ATOM 467 CA MET A 32 -0.898 1.391 -6.718 1.00 0.00 C ATOM 468 C MET A 32 -2.091 0.987 -5.857 1.00 0.00 C ATOM 469 O MET A 32 -2.538 -0.159 -5.898 1.00 0.00 O ATOM 470 CB MET A 32 -1.353 2.343 -7.826 1.00 0.00 C ATOM 471 CG MET A 32 -0.268 3.302 -8.288 1.00 0.00 C ATOM 472 SD MET A 32 -0.790 4.326 -9.677 1.00 0.00 S ATOM 473 CE MET A 32 -1.616 5.664 -8.819 1.00 0.00 C ATOM 0 H MET A 32 -0.741 -0.188 -8.090 1.00 0.00 H new ATOM 0 HA MET A 32 -0.173 1.902 -6.085 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.696 1.757 -8.679 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.208 2.919 -7.471 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.021 3.945 -7.457 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.617 2.733 -8.574 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.117 6.306 -9.543 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.352 5.253 -8.128 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.882 6.248 -8.263 1.00 0.00 H new ATOM 483 N PHE A 33 -2.602 1.935 -5.079 1.00 0.00 N ATOM 484 CA PHE A 33 -3.742 1.677 -4.208 1.00 0.00 C ATOM 485 C PHE A 33 -4.589 2.934 -4.033 1.00 0.00 C ATOM 486 O PHE A 33 -4.167 4.034 -4.390 1.00 0.00 O ATOM 487 CB PHE A 33 -3.265 1.176 -2.843 1.00 0.00 C ATOM 488 CG PHE A 33 -2.191 0.130 -2.930 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.855 0.492 -2.979 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.518 -1.216 -2.962 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.135 -0.469 -3.060 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.533 -2.182 -3.043 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.204 -1.808 -3.091 1.00 0.00 C ATOM 0 H PHE A 33 -2.244 2.889 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.357 0.908 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.892 2.021 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.116 0.767 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.584 1.537 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.555 -1.514 -2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.173 -0.173 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.802 -3.228 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.568 -2.561 -3.153 1.00 0.00 H new ATOM 503 N ILE A 34 -5.786 2.762 -3.483 1.00 0.00 N ATOM 504 CA ILE A 34 -6.693 3.882 -3.261 1.00 0.00 C ATOM 505 C ILE A 34 -7.043 4.021 -1.783 1.00 0.00 C ATOM 506 O ILE A 34 -7.924 3.328 -1.275 1.00 0.00 O ATOM 507 CB ILE A 34 -7.992 3.724 -4.072 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.675 3.591 -5.563 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.918 4.906 -3.825 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.845 3.103 -6.388 1.00 0.00 C ATOM 0 H ILE A 34 -6.151 1.858 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.173 4.780 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.499 2.816 -3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.350 4.559 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.840 2.902 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.832 4.780 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.166 4.959 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.421 5.827 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.548 3.033 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.157 2.121 -6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.675 3.803 -6.293 1.00 0.00 H new ATOM 522 N VAL A 35 -6.347 4.923 -1.098 1.00 0.00 N ATOM 523 CA VAL A 35 -6.586 5.156 0.321 1.00 0.00 C ATOM 524 C VAL A 35 -8.011 5.637 0.567 1.00 0.00 C ATOM 525 O VAL A 35 -8.436 6.657 0.024 1.00 0.00 O ATOM 526 CB VAL A 35 -5.600 6.191 0.894 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.621 6.165 2.415 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.196 5.937 0.368 1.00 0.00 C ATOM 0 H VAL A 35 -5.613 5.504 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.435 4.203 0.828 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.912 7.183 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.918 6.903 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.625 6.400 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.335 5.173 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.512 6.678 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.872 4.939 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.196 6.012 -0.719 1.00 0.00 H new ATOM 538 N HIS A 36 -8.747 4.896 1.390 1.00 0.00 N ATOM 539 CA HIS A 36 -10.126 5.248 1.709 1.00 0.00 C ATOM 540 C HIS A 36 -10.259 5.650 3.175 1.00 0.00 C ATOM 541 O HIS A 36 -10.861 6.673 3.495 1.00 0.00 O ATOM 542 CB HIS A 36 -11.058 4.075 1.403 1.00 0.00 C ATOM 543 CG HIS A 36 -11.198 3.787 -0.060 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.849 4.632 -0.934 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.766 2.741 -0.802 1.00 0.00 C ATOM 546 CE1 HIS A 36 -11.813 4.118 -2.150 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.160 2.970 -2.097 1.00 0.00 N ATOM 0 H HIS A 36 -8.411 4.049 1.848 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.410 6.099 1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.684 3.183 1.906 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.043 4.286 1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.214 1.885 -0.442 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.244 4.560 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.978 2.354 -2.890 1.00 0.00 H new ATOM 555 N ASN A 37 -9.693 4.836 4.060 1.00 0.00 N ATOM 556 CA ASN A 37 -9.750 5.106 5.492 1.00 0.00 C ATOM 557 C ASN A 37 -8.348 5.159 6.092 1.00 0.00 C ATOM 558 O ASN A 37 -7.557 4.230 5.927 1.00 0.00 O ATOM 559 CB ASN A 37 -10.580 4.035 6.202 1.00 0.00 C ATOM 560 CG ASN A 37 -11.259 4.563 7.451 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.122 5.437 7.380 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.870 4.032 8.605 1.00 0.00 N ATOM 0 H ASN A 37 -9.190 3.984 3.811 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.224 6.077 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.335 3.651 5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.936 3.197 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.291 4.347 9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.151 3.309 8.617 1.00 0.00 H new ATOM 569 N GLU A 38 -8.049 6.251 6.788 1.00 0.00 N ATOM 570 CA GLU A 38 -6.742 6.424 7.412 1.00 0.00 C ATOM 571 C GLU A 38 -6.785 6.025 8.884 1.00 0.00 C ATOM 572 O GLU A 38 -7.320 6.753 9.721 1.00 0.00 O ATOM 573 CB GLU A 38 -6.277 7.875 7.279 1.00 0.00 C ATOM 574 CG GLU A 38 -6.137 8.340 5.839 1.00 0.00 C ATOM 575 CD GLU A 38 -6.345 9.834 5.685 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.946 10.585 6.600 1.00 0.00 O ATOM 577 OE2 GLU A 38 -6.907 10.252 4.651 1.00 0.00 O ATOM 0 H GLU A 38 -8.693 7.028 6.934 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.034 5.775 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.986 8.523 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.317 7.988 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.146 8.075 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.860 7.811 5.218 1.00 0.00 H new ATOM 584 N LEU A 39 -6.218 4.864 9.193 1.00 0.00 N ATOM 585 CA LEU A 39 -6.191 4.366 10.564 1.00 0.00 C ATOM 586 C LEU A 39 -5.132 5.094 11.387 1.00 0.00 C ATOM 587 O LEU A 39 -4.429 5.966 10.878 1.00 0.00 O ATOM 588 CB LEU A 39 -5.917 2.861 10.576 1.00 0.00 C ATOM 589 CG LEU A 39 -7.043 1.970 10.053 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.386 2.428 10.602 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.060 1.969 8.531 1.00 0.00 C ATOM 0 H LEU A 39 -5.771 4.250 8.513 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.167 4.555 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.024 2.670 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.689 2.562 11.599 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.862 0.951 10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.175 1.782 10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.371 2.376 11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.575 3.455 10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.868 1.329 8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.216 2.985 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.108 1.592 8.157 1.00 0.00 H new ATOM 603 N GLU A 40 -5.024 4.728 12.660 1.00 0.00 N ATOM 604 CA GLU A 40 -4.050 5.345 13.552 1.00 0.00 C ATOM 605 C GLU A 40 -2.872 4.409 13.803 1.00 0.00 C ATOM 606 O GLU A 40 -1.714 4.826 13.764 1.00 0.00 O ATOM 607 CB GLU A 40 -4.709 5.722 14.881 1.00 0.00 C ATOM 608 CG GLU A 40 -5.847 6.718 14.735 1.00 0.00 C ATOM 609 CD GLU A 40 -6.712 6.802 15.978 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.490 5.856 16.222 1.00 0.00 O ATOM 611 OE2 GLU A 40 -6.611 7.812 16.705 1.00 0.00 O ATOM 0 H GLU A 40 -5.599 4.007 13.097 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.677 6.249 13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.087 4.818 15.359 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.953 6.141 15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.436 7.704 14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.466 6.434 13.884 1.00 0.00 H new ATOM 618 N ASP A 41 -3.176 3.142 14.061 1.00 0.00 N ATOM 619 CA ASP A 41 -2.143 2.145 14.319 1.00 0.00 C ATOM 620 C ASP A 41 -0.987 2.294 13.335 1.00 0.00 C ATOM 621 O ASP A 41 0.144 1.906 13.626 1.00 0.00 O ATOM 622 CB ASP A 41 -2.730 0.736 14.226 1.00 0.00 C ATOM 623 CG ASP A 41 -3.580 0.382 15.431 1.00 0.00 C ATOM 624 OD1 ASP A 41 -3.003 0.109 16.504 1.00 0.00 O ATOM 625 OD2 ASP A 41 -4.822 0.378 15.300 1.00 0.00 O ATOM 0 H ASP A 41 -4.129 2.781 14.097 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.761 2.305 15.327 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.335 0.656 13.323 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.919 0.013 14.132 1.00 0.00 H new ATOM 630 N GLY A 42 -1.280 2.856 12.166 1.00 0.00 N ATOM 631 CA GLY A 42 -0.255 3.045 11.156 1.00 0.00 C ATOM 632 C GLY A 42 -0.599 2.364 9.847 1.00 0.00 C ATOM 633 O GLY A 42 0.289 1.932 9.112 1.00 0.00 O ATOM 0 H GLY A 42 -2.209 3.184 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.114 4.112 10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.693 2.655 11.527 1.00 0.00 H new ATOM 637 N TRP A 43 -1.891 2.265 9.555 1.00 0.00 N ATOM 638 CA TRP A 43 -2.350 1.629 8.325 1.00 0.00 C ATOM 639 C TRP A 43 -3.444 2.457 7.660 1.00 0.00 C ATOM 640 O TRP A 43 -3.884 3.470 8.202 1.00 0.00 O ATOM 641 CB TRP A 43 -2.867 0.220 8.618 1.00 0.00 C ATOM 642 CG TRP A 43 -1.898 -0.619 9.395 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.352 -0.325 10.612 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.359 -1.887 9.008 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.506 -1.334 11.004 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.493 -2.305 10.038 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.524 -2.712 7.892 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.203 -3.509 9.982 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.832 -3.907 7.838 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.022 -4.297 8.878 1.00 0.00 C ATOM 0 H TRP A 43 -2.639 2.617 10.153 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.504 1.563 7.641 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.802 0.292 9.174 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.095 -0.279 7.676 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.555 0.569 11.182 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.026 -1.356 11.874 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.181 -2.421 7.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.863 -3.811 10.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.952 -4.551 6.979 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.548 -5.238 8.807 1.00 0.00 H new ATOM 661 N MET A 44 -3.878 2.019 6.483 1.00 0.00 N ATOM 662 CA MET A 44 -4.923 2.720 5.745 1.00 0.00 C ATOM 663 C MET A 44 -5.680 1.762 4.831 1.00 0.00 C ATOM 664 O MET A 44 -5.089 1.124 3.959 1.00 0.00 O ATOM 665 CB MET A 44 -4.318 3.859 4.921 1.00 0.00 C ATOM 666 CG MET A 44 -3.091 4.487 5.561 1.00 0.00 C ATOM 667 SD MET A 44 -2.337 5.753 4.522 1.00 0.00 S ATOM 668 CE MET A 44 -1.038 4.810 3.728 1.00 0.00 C ATOM 0 H MET A 44 -3.523 1.183 6.020 1.00 0.00 H new ATOM 0 HA MET A 44 -5.626 3.136 6.467 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.050 3.480 3.935 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.074 4.630 4.771 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.370 4.927 6.518 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.357 3.709 5.770 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.480 5.457 3.051 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.364 4.410 4.485 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.478 3.988 3.163 1.00 0.00 H new ATOM 678 N TRP A 45 -6.988 1.665 5.036 1.00 0.00 N ATOM 679 CA TRP A 45 -7.825 0.784 4.230 1.00 0.00 C ATOM 680 C TRP A 45 -7.800 1.200 2.763 1.00 0.00 C ATOM 681 O TRP A 45 -8.581 2.050 2.336 1.00 0.00 O ATOM 682 CB TRP A 45 -9.263 0.794 4.751 1.00 0.00 C ATOM 683 CG TRP A 45 -10.146 -0.212 4.077 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.978 0.008 3.017 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.287 -1.595 4.420 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.627 -1.156 2.680 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.220 -2.153 3.525 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.714 -2.416 5.395 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.592 -3.494 3.579 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.084 -3.746 5.447 1.00 0.00 C ATOM 691 CH2 TRP A 45 -11.015 -4.275 4.543 1.00 0.00 C ATOM 0 H TRP A 45 -7.492 2.186 5.754 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.425 -0.227 4.308 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.255 0.599 5.823 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.686 1.789 4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -11.107 0.957 2.517 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.303 -1.260 1.923 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.995 -2.018 6.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.311 -3.903 2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.648 -4.389 6.197 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.282 -5.319 4.608 1.00 0.00 H new ATOM 702 N VAL A 46 -6.898 0.596 1.996 1.00 0.00 N ATOM 703 CA VAL A 46 -6.772 0.904 0.576 1.00 0.00 C ATOM 704 C VAL A 46 -7.278 -0.250 -0.283 1.00 0.00 C ATOM 705 O VAL A 46 -7.555 -1.339 0.220 1.00 0.00 O ATOM 706 CB VAL A 46 -5.312 1.212 0.196 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.768 2.352 1.043 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.449 -0.032 0.345 1.00 0.00 C ATOM 0 H VAL A 46 -6.244 -0.110 2.334 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.382 1.788 0.388 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.285 1.523 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.735 2.555 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.371 3.245 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.807 2.074 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.420 0.204 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.481 -0.375 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.827 -0.817 -0.310 1.00 0.00 H new ATOM 718 N THR A 47 -7.396 -0.004 -1.584 1.00 0.00 N ATOM 719 CA THR A 47 -7.868 -1.021 -2.514 1.00 0.00 C ATOM 720 C THR A 47 -6.946 -1.133 -3.723 1.00 0.00 C ATOM 721 O THR A 47 -6.940 -0.263 -4.593 1.00 0.00 O ATOM 722 CB THR A 47 -9.298 -0.718 -3.001 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.140 -0.412 -1.884 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.872 -1.900 -3.766 1.00 0.00 C ATOM 0 H THR A 47 -7.171 0.892 -2.017 1.00 0.00 H new ATOM 0 HA THR A 47 -7.869 -1.967 -1.972 1.00 0.00 H new ATOM 0 HB THR A 47 -9.256 0.141 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.047 -0.219 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.882 -1.662 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.245 -2.112 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.901 -2.774 -3.116 1.00 0.00 H new ATOM 732 N ASN A 48 -6.167 -2.209 -3.770 1.00 0.00 N ATOM 733 CA ASN A 48 -5.240 -2.433 -4.873 1.00 0.00 C ATOM 734 C ASN A 48 -5.926 -2.203 -6.216 1.00 0.00 C ATOM 735 O ASN A 48 -7.133 -2.404 -6.351 1.00 0.00 O ATOM 736 CB ASN A 48 -4.677 -3.855 -4.812 1.00 0.00 C ATOM 737 CG ASN A 48 -3.355 -3.985 -5.542 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.151 -3.378 -6.594 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.448 -4.781 -4.986 1.00 0.00 N ATOM 0 H ASN A 48 -6.159 -2.939 -3.057 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.421 -1.720 -4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.544 -4.146 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.398 -4.547 -5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.540 -4.909 -5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.660 -5.264 -4.113 1.00 0.00 H new ATOM 746 N LEU A 49 -5.148 -1.780 -7.206 1.00 0.00 N ATOM 747 CA LEU A 49 -5.680 -1.522 -8.540 1.00 0.00 C ATOM 748 C LEU A 49 -5.498 -2.738 -9.443 1.00 0.00 C ATOM 749 O LEU A 49 -6.174 -2.872 -10.463 1.00 0.00 O ATOM 750 CB LEU A 49 -4.990 -0.305 -9.159 1.00 0.00 C ATOM 751 CG LEU A 49 -5.456 1.060 -8.654 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.735 2.178 -9.391 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.963 1.201 -8.812 1.00 0.00 C ATOM 0 H LEU A 49 -4.147 -1.608 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.747 -1.318 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.918 -0.390 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.136 -0.340 -10.239 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.212 1.135 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.080 3.142 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.661 2.089 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.946 2.106 -10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.277 2.179 -8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.229 1.104 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.464 0.422 -8.237 1.00 0.00 H new ATOM 765 N ARG A 50 -4.583 -3.622 -9.059 1.00 0.00 N ATOM 766 CA ARG A 50 -4.314 -4.828 -9.834 1.00 0.00 C ATOM 767 C ARG A 50 -5.300 -5.935 -9.476 1.00 0.00 C ATOM 768 O ARG A 50 -6.073 -6.391 -10.320 1.00 0.00 O ATOM 769 CB ARG A 50 -2.882 -5.307 -9.590 1.00 0.00 C ATOM 770 CG ARG A 50 -2.580 -6.663 -10.206 1.00 0.00 C ATOM 771 CD ARG A 50 -1.083 -6.918 -10.285 1.00 0.00 C ATOM 772 NE ARG A 50 -0.575 -7.571 -9.082 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.960 -8.778 -8.682 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.852 -9.460 -9.387 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.452 -9.306 -7.576 1.00 0.00 N ATOM 0 H ARG A 50 -4.016 -3.526 -8.217 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.434 -4.586 -10.890 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.188 -4.571 -9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.703 -5.357 -8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.053 -7.446 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.012 -6.714 -11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.867 -7.540 -11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.561 -5.972 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 50 0.113 -7.073 -8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.244 -9.058 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.146 -10.387 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.235 -8.785 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.749 -10.233 -7.270 1.00 0.00 H new ATOM 789 N THR A 51 -5.268 -6.366 -8.218 1.00 0.00 N ATOM 790 CA THR A 51 -6.157 -7.421 -7.749 1.00 0.00 C ATOM 791 C THR A 51 -7.564 -6.888 -7.508 1.00 0.00 C ATOM 792 O THR A 51 -8.541 -7.635 -7.569 1.00 0.00 O ATOM 793 CB THR A 51 -5.633 -8.060 -6.449 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.796 -7.150 -5.355 1.00 0.00 O ATOM 795 CG2 THR A 51 -4.166 -8.439 -6.585 1.00 0.00 C ATOM 0 H THR A 51 -4.636 -6.000 -7.506 1.00 0.00 H new ATOM 0 HA THR A 51 -6.188 -8.179 -8.532 1.00 0.00 H new ATOM 0 HB THR A 51 -6.210 -8.965 -6.257 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.462 -7.565 -4.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.819 -8.888 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.049 -9.154 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.578 -7.546 -6.799 1.00 0.00 H new ATOM 803 N ASP A 52 -7.662 -5.591 -7.236 1.00 0.00 N ATOM 804 CA ASP A 52 -8.952 -4.957 -6.988 1.00 0.00 C ATOM 805 C ASP A 52 -9.554 -5.446 -5.674 1.00 0.00 C ATOM 806 O ASP A 52 -10.762 -5.658 -5.576 1.00 0.00 O ATOM 807 CB ASP A 52 -9.914 -5.241 -8.142 1.00 0.00 C ATOM 808 CG ASP A 52 -11.111 -4.310 -8.140 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.928 -3.110 -7.847 1.00 0.00 O ATOM 810 OD2 ASP A 52 -12.230 -4.782 -8.432 1.00 0.00 O ATOM 0 H ASP A 52 -6.864 -4.958 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.793 -3.881 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.382 -5.142 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.260 -6.273 -8.078 1.00 0.00 H new ATOM 815 N GLU A 53 -8.703 -5.625 -4.669 1.00 0.00 N ATOM 816 CA GLU A 53 -9.153 -6.092 -3.362 1.00 0.00 C ATOM 817 C GLU A 53 -8.807 -5.079 -2.274 1.00 0.00 C ATOM 818 O GLU A 53 -7.879 -4.284 -2.425 1.00 0.00 O ATOM 819 CB GLU A 53 -8.520 -7.446 -3.034 1.00 0.00 C ATOM 820 CG GLU A 53 -9.024 -8.581 -3.910 1.00 0.00 C ATOM 821 CD GLU A 53 -8.623 -9.945 -3.383 1.00 0.00 C ATOM 822 OE1 GLU A 53 -8.771 -10.180 -2.166 1.00 0.00 O ATOM 823 OE2 GLU A 53 -8.161 -10.779 -4.190 1.00 0.00 O ATOM 0 H GLU A 53 -7.700 -5.454 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.237 -6.205 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.438 -7.368 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.720 -7.688 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.110 -8.527 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.634 -8.457 -4.920 1.00 0.00 H new ATOM 830 N GLN A 54 -9.559 -5.115 -1.180 1.00 0.00 N ATOM 831 CA GLN A 54 -9.333 -4.200 -0.067 1.00 0.00 C ATOM 832 C GLN A 54 -8.624 -4.907 1.084 1.00 0.00 C ATOM 833 O GLN A 54 -8.813 -6.103 1.301 1.00 0.00 O ATOM 834 CB GLN A 54 -10.661 -3.616 0.418 1.00 0.00 C ATOM 835 CG GLN A 54 -11.526 -3.059 -0.701 1.00 0.00 C ATOM 836 CD GLN A 54 -12.262 -4.143 -1.463 1.00 0.00 C ATOM 837 OE1 GLN A 54 -11.878 -4.506 -2.576 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.327 -4.667 -0.868 1.00 0.00 N ATOM 0 H GLN A 54 -10.330 -5.768 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.695 -3.390 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.218 -4.391 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.458 -2.823 1.138 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.249 -2.359 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.900 -2.495 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.610 -4.337 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.862 -5.400 -1.333 1.00 0.00 H new ATOM 847 N GLY A 55 -7.807 -4.159 1.818 1.00 0.00 N ATOM 848 CA GLY A 55 -7.081 -4.731 2.937 1.00 0.00 C ATOM 849 C GLY A 55 -6.399 -3.677 3.786 1.00 0.00 C ATOM 850 O GLY A 55 -6.732 -2.493 3.706 1.00 0.00 O ATOM 0 H GLY A 55 -7.635 -3.167 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.770 -5.304 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.334 -5.430 2.562 1.00 0.00 H new ATOM 854 N LEU A 56 -5.442 -4.105 4.602 1.00 0.00 N ATOM 855 CA LEU A 56 -4.711 -3.189 5.471 1.00 0.00 C ATOM 856 C LEU A 56 -3.232 -3.151 5.101 1.00 0.00 C ATOM 857 O LEU A 56 -2.573 -4.188 5.031 1.00 0.00 O ATOM 858 CB LEU A 56 -4.872 -3.605 6.934 1.00 0.00 C ATOM 859 CG LEU A 56 -6.268 -3.431 7.532 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.428 -4.291 8.776 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.530 -1.967 7.857 1.00 0.00 C ATOM 0 H LEU A 56 -5.154 -5.080 4.680 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.126 -2.190 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.587 -4.653 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.167 -3.029 7.534 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.001 -3.756 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.428 -4.153 9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.284 -5.339 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.687 -3.997 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.528 -1.862 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.790 -1.616 8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.459 -1.374 6.945 1.00 0.00 H new ATOM 873 N ILE A 57 -2.717 -1.949 4.867 1.00 0.00 N ATOM 874 CA ILE A 57 -1.315 -1.775 4.507 1.00 0.00 C ATOM 875 C ILE A 57 -0.624 -0.792 5.446 1.00 0.00 C ATOM 876 O ILE A 57 -1.275 -0.115 6.241 1.00 0.00 O ATOM 877 CB ILE A 57 -1.162 -1.278 3.058 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.646 0.169 2.939 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.932 -2.180 2.105 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.211 0.848 1.659 1.00 0.00 C ATOM 0 H ILE A 57 -3.250 -1.081 4.920 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.843 -2.753 4.598 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.107 -1.312 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.734 0.186 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.272 0.740 3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.814 -1.816 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.546 -3.197 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.989 -2.174 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.589 1.870 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.122 0.863 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.607 0.301 0.804 1.00 0.00 H new ATOM 892 N VAL A 58 0.699 -0.717 5.346 1.00 0.00 N ATOM 893 CA VAL A 58 1.479 0.186 6.184 1.00 0.00 C ATOM 894 C VAL A 58 2.062 1.331 5.363 1.00 0.00 C ATOM 895 O VAL A 58 2.449 1.147 4.210 1.00 0.00 O ATOM 896 CB VAL A 58 2.626 -0.557 6.895 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.640 -1.067 5.882 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.292 0.348 7.920 1.00 0.00 C ATOM 0 H VAL A 58 1.253 -1.271 4.693 1.00 0.00 H new ATOM 0 HA VAL A 58 0.798 0.589 6.934 1.00 0.00 H new ATOM 0 HB VAL A 58 2.209 -1.416 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.443 -1.589 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.150 -1.752 5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.054 -0.226 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.100 -0.193 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.697 1.228 7.420 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.557 0.659 8.663 1.00 0.00 H new ATOM 908 N GLU A 59 2.122 2.514 5.967 1.00 0.00 N ATOM 909 CA GLU A 59 2.658 3.690 5.291 1.00 0.00 C ATOM 910 C GLU A 59 4.181 3.624 5.211 1.00 0.00 C ATOM 911 O GLU A 59 4.830 4.565 4.753 1.00 0.00 O ATOM 912 CB GLU A 59 2.229 4.965 6.020 1.00 0.00 C ATOM 913 CG GLU A 59 3.006 5.224 7.301 1.00 0.00 C ATOM 914 CD GLU A 59 2.922 6.669 7.751 1.00 0.00 C ATOM 915 OE1 GLU A 59 3.392 7.551 7.002 1.00 0.00 O ATOM 916 OE2 GLU A 59 2.388 6.919 8.852 1.00 0.00 O ATOM 0 H GLU A 59 1.806 2.683 6.922 1.00 0.00 H new ATOM 0 HA GLU A 59 2.258 3.709 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.354 5.816 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.167 4.899 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.623 4.578 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.051 4.955 7.148 1.00 0.00 H new ATOM 923 N ASP A 60 4.743 2.508 5.659 1.00 0.00 N ATOM 924 CA ASP A 60 6.189 2.318 5.638 1.00 0.00 C ATOM 925 C ASP A 60 6.607 1.459 4.449 1.00 0.00 C ATOM 926 O ASP A 60 7.796 1.226 4.225 1.00 0.00 O ATOM 927 CB ASP A 60 6.659 1.670 6.942 1.00 0.00 C ATOM 928 CG ASP A 60 6.286 2.488 8.162 1.00 0.00 C ATOM 929 OD1 ASP A 60 6.216 3.730 8.045 1.00 0.00 O ATOM 930 OD2 ASP A 60 6.063 1.887 9.234 1.00 0.00 O ATOM 0 H ASP A 60 4.220 1.720 6.041 1.00 0.00 H new ATOM 0 HA ASP A 60 6.658 3.297 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.222 0.675 7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.741 1.542 6.911 1.00 0.00 H new ATOM 935 N LEU A 61 5.623 0.989 3.690 1.00 0.00 N ATOM 936 CA LEU A 61 5.889 0.154 2.524 1.00 0.00 C ATOM 937 C LEU A 61 5.450 0.855 1.241 1.00 0.00 C ATOM 938 O LEU A 61 5.720 0.379 0.138 1.00 0.00 O ATOM 939 CB LEU A 61 5.166 -1.187 2.657 1.00 0.00 C ATOM 940 CG LEU A 61 5.829 -2.218 3.572 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.962 -3.461 3.692 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.213 -2.580 3.053 1.00 0.00 C ATOM 0 H LEU A 61 4.634 1.172 3.861 1.00 0.00 H new ATOM 0 HA LEU A 61 6.963 -0.022 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.158 -0.999 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.066 -1.623 1.663 1.00 0.00 H new ATOM 0 HG LEU A 61 5.938 -1.778 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.450 -4.183 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.993 -3.189 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.821 -3.903 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.670 -3.315 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.127 -3.000 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.835 -1.685 3.020 1.00 0.00 H new ATOM 954 N VAL A 62 4.775 1.990 1.394 1.00 0.00 N ATOM 955 CA VAL A 62 4.303 2.758 0.249 1.00 0.00 C ATOM 956 C VAL A 62 4.703 4.225 0.368 1.00 0.00 C ATOM 957 O VAL A 62 4.947 4.724 1.466 1.00 0.00 O ATOM 958 CB VAL A 62 2.772 2.666 0.104 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.322 1.213 0.115 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.084 3.455 1.207 1.00 0.00 C ATOM 0 H VAL A 62 4.543 2.397 2.300 1.00 0.00 H new ATOM 0 HA VAL A 62 4.772 2.327 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 62 2.488 3.102 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.238 1.167 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.788 0.681 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.617 0.748 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.003 3.379 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.372 3.051 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.383 4.502 1.146 1.00 0.00 H new ATOM 970 N GLU A 63 4.768 4.909 -0.770 1.00 0.00 N ATOM 971 CA GLU A 63 5.140 6.319 -0.792 1.00 0.00 C ATOM 972 C GLU A 63 4.016 7.168 -1.379 1.00 0.00 C ATOM 973 O GLU A 63 3.177 6.672 -2.129 1.00 0.00 O ATOM 974 CB GLU A 63 6.422 6.519 -1.604 1.00 0.00 C ATOM 975 CG GLU A 63 6.244 6.273 -3.093 1.00 0.00 C ATOM 976 CD GLU A 63 7.414 6.780 -3.912 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.568 6.447 -3.569 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.177 7.510 -4.897 1.00 0.00 O ATOM 0 H GLU A 63 4.568 4.510 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 63 5.316 6.638 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.783 7.536 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.192 5.848 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.119 5.205 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.330 6.761 -3.431 1.00 0.00 H new ATOM 985 N GLU A 64 4.007 8.451 -1.029 1.00 0.00 N ATOM 986 CA GLU A 64 2.986 9.369 -1.519 1.00 0.00 C ATOM 987 C GLU A 64 3.266 9.774 -2.963 1.00 0.00 C ATOM 988 O GLU A 64 4.405 10.068 -3.327 1.00 0.00 O ATOM 989 CB GLU A 64 2.919 10.614 -0.632 1.00 0.00 C ATOM 990 CG GLU A 64 4.193 11.443 -0.650 1.00 0.00 C ATOM 991 CD GLU A 64 4.302 12.370 0.544 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.633 13.425 0.541 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.057 12.041 1.483 1.00 0.00 O ATOM 0 H GLU A 64 4.695 8.877 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 64 2.025 8.855 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.086 11.237 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.708 10.309 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.055 10.777 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.226 12.032 -1.567 1.00 0.00 H new