USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 30 ASN : amide:sc= 0.716 K(o=1.7,f=-3!) USER MOD Set 1.2: A 81 CYS SG : rot -37:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -28:sc= 0.545 USER MOD Single : A 20 TYR OH : rot -175:sc= 0.11 USER MOD Single : A 22 SER OG : rot 42:sc= 0.0313 USER MOD Single : A 28 ASN : amide:sc= -0.189 K(o=-0.19,f=-0.7) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 30:sc=-0.00948 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 1.2 (180deg=1.05) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -132:sc= -0.265 (180deg=-1.41) USER MOD Single : A 87 THR OG1 : rot 76:sc= 0.944 USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0.903 (180deg=0.515) USER MOD Single : A 106 LYS NZ :NH3+ 157:sc= 0.87 (180deg=0.464) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.759 -27.428 29.171 1.00 0.00 N ATOM 59 CA GLY A 5 -13.914 -27.008 27.788 1.00 0.00 C ATOM 60 C GLY A 5 -15.340 -27.164 27.327 1.00 0.00 C ATOM 61 O GLY A 5 -15.723 -26.679 26.263 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.608 -25.967 27.685 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.256 -27.598 27.150 1.00 0.00 H new ATOM 65 N SER A 6 -16.121 -27.835 28.139 1.00 0.00 N ATOM 66 CA SER A 6 -17.510 -28.053 27.868 1.00 0.00 C ATOM 67 C SER A 6 -18.311 -27.794 29.131 1.00 0.00 C ATOM 68 O SER A 6 -17.798 -27.958 30.245 1.00 0.00 O ATOM 69 CB SER A 6 -17.733 -29.485 27.371 1.00 0.00 C ATOM 70 OG SER A 6 -17.097 -30.426 28.230 1.00 0.00 O ATOM 0 H SER A 6 -15.800 -28.247 29.015 1.00 0.00 H new ATOM 0 HA SER A 6 -17.842 -27.368 27.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.801 -29.695 27.323 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.342 -29.588 26.359 1.00 0.00 H new ATOM 0 HG SER A 6 -17.254 -31.333 27.895 1.00 0.00 H new ATOM 76 N LEU A 7 -19.540 -27.379 28.967 1.00 0.00 N ATOM 77 CA LEU A 7 -20.388 -27.074 30.097 1.00 0.00 C ATOM 78 C LEU A 7 -21.650 -27.899 30.073 1.00 0.00 C ATOM 79 O LEU A 7 -22.270 -28.066 29.017 1.00 0.00 O ATOM 80 CB LEU A 7 -20.761 -25.587 30.093 1.00 0.00 C ATOM 81 CG LEU A 7 -19.609 -24.605 30.273 1.00 0.00 C ATOM 82 CD1 LEU A 7 -20.093 -23.182 30.052 1.00 0.00 C ATOM 83 CD2 LEU A 7 -19.018 -24.744 31.662 1.00 0.00 C ATOM 0 H LEU A 7 -19.981 -27.243 28.057 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.830 -27.314 31.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.260 -25.361 29.151 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.487 -25.413 30.887 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.837 -24.831 29.537 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.261 -22.490 30.183 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.489 -23.085 29.041 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.877 -22.948 30.773 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.196 -24.038 31.780 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.786 -24.535 32.407 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.647 -25.760 31.799 1.00 0.00 H new ATOM 95 N LYS A 8 -22.023 -28.439 31.223 1.00 0.00 N ATOM 96 CA LYS A 8 -23.292 -29.111 31.342 1.00 0.00 C ATOM 97 C LYS A 8 -24.330 -28.062 31.702 1.00 0.00 C ATOM 98 O LYS A 8 -24.436 -27.607 32.844 1.00 0.00 O ATOM 99 CB LYS A 8 -23.245 -30.267 32.366 1.00 0.00 C ATOM 100 CG LYS A 8 -22.869 -29.846 33.767 1.00 0.00 C ATOM 101 CD LYS A 8 -22.757 -31.044 34.697 1.00 0.00 C ATOM 102 CE LYS A 8 -22.349 -30.624 36.102 1.00 0.00 C ATOM 103 NZ LYS A 8 -22.260 -31.785 37.022 1.00 0.00 N ATOM 0 H LYS A 8 -21.465 -28.422 32.077 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.556 -29.584 30.396 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -24.222 -30.750 32.395 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.530 -31.014 32.020 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.920 -29.311 33.745 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -23.617 -29.153 34.153 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -23.713 -31.566 34.736 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.025 -31.747 34.299 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.385 -30.116 36.064 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.072 -29.907 36.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.980 -31.457 37.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.186 -32.255 37.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.552 -32.458 36.665 1.00 0.00 H new ATOM 117 N VAL A 9 -25.050 -27.661 30.711 1.00 0.00 N ATOM 118 CA VAL A 9 -25.979 -26.581 30.816 1.00 0.00 C ATOM 119 C VAL A 9 -27.374 -27.103 31.098 1.00 0.00 C ATOM 120 O VAL A 9 -27.916 -27.909 30.342 1.00 0.00 O ATOM 121 CB VAL A 9 -25.919 -25.768 29.504 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.987 -24.719 29.416 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.562 -25.125 29.381 1.00 0.00 C ATOM 0 H VAL A 9 -25.011 -28.082 29.783 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.717 -25.931 31.651 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.092 -26.463 28.682 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.892 -24.182 28.472 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.967 -25.193 29.467 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.879 -24.019 30.244 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.514 -24.550 28.456 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.395 -24.462 30.230 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.793 -25.898 29.368 1.00 0.00 H new ATOM 133 N TYR A 10 -27.941 -26.648 32.202 1.00 0.00 N ATOM 134 CA TYR A 10 -29.242 -27.113 32.638 1.00 0.00 C ATOM 135 C TYR A 10 -30.370 -26.238 32.110 1.00 0.00 C ATOM 136 O TYR A 10 -30.424 -25.035 32.359 1.00 0.00 O ATOM 137 CB TYR A 10 -29.283 -27.221 34.179 1.00 0.00 C ATOM 138 CG TYR A 10 -30.652 -27.537 34.771 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.164 -28.828 34.757 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.424 -26.538 35.362 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.401 -29.114 35.310 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.659 -26.816 35.915 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.144 -28.105 35.884 1.00 0.00 C ATOM 144 OH TYR A 10 -34.377 -28.389 36.433 1.00 0.00 O ATOM 0 H TYR A 10 -27.516 -25.952 32.815 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.399 -28.106 32.218 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.582 -27.995 34.492 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.930 -26.281 34.603 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.587 -29.623 34.307 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.049 -25.526 35.388 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.782 -30.124 35.292 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.241 -26.027 36.369 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.770 -27.568 36.797 1.00 0.00 H new ATOM 154 N GLY A 11 -31.254 -26.865 31.375 1.00 0.00 N ATOM 155 CA GLY A 11 -32.414 -26.203 30.843 1.00 0.00 C ATOM 156 C GLY A 11 -33.648 -27.027 31.097 1.00 0.00 C ATOM 157 O GLY A 11 -34.649 -26.894 30.400 1.00 0.00 O ATOM 0 H GLY A 11 -31.187 -27.853 31.129 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.523 -25.221 31.303 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.290 -26.042 29.772 1.00 0.00 H new ATOM 161 N GLY A 12 -33.565 -27.876 32.123 1.00 0.00 N ATOM 162 CA GLY A 12 -34.660 -28.773 32.479 1.00 0.00 C ATOM 163 C GLY A 12 -35.926 -28.049 32.862 1.00 0.00 C ATOM 164 O GLY A 12 -37.021 -28.596 32.731 1.00 0.00 O ATOM 0 H GLY A 12 -32.745 -27.959 32.724 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -34.868 -29.433 31.637 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.346 -29.406 33.309 1.00 0.00 H new ATOM 168 N GLU A 13 -35.784 -26.833 33.358 1.00 0.00 N ATOM 169 CA GLU A 13 -36.934 -26.037 33.724 1.00 0.00 C ATOM 170 C GLU A 13 -37.761 -25.728 32.475 1.00 0.00 C ATOM 171 O GLU A 13 -38.985 -25.872 32.470 1.00 0.00 O ATOM 172 CB GLU A 13 -36.484 -24.740 34.411 1.00 0.00 C ATOM 173 CG GLU A 13 -37.630 -23.875 34.916 1.00 0.00 C ATOM 174 CD GLU A 13 -37.162 -22.625 35.624 1.00 0.00 C ATOM 175 OE1 GLU A 13 -36.785 -21.646 34.942 1.00 0.00 O ATOM 176 OE2 GLU A 13 -37.190 -22.600 36.875 1.00 0.00 O ATOM 0 H GLU A 13 -34.884 -26.379 33.515 1.00 0.00 H new ATOM 0 HA GLU A 13 -37.552 -26.597 34.426 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -35.836 -24.992 35.250 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -35.886 -24.159 33.710 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -38.263 -23.593 34.074 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -38.247 -24.461 35.597 1.00 0.00 H new ATOM 183 N ILE A 14 -37.073 -25.309 31.418 1.00 0.00 N ATOM 184 CA ILE A 14 -37.712 -25.006 30.143 1.00 0.00 C ATOM 185 C ILE A 14 -38.077 -26.290 29.383 1.00 0.00 C ATOM 186 O ILE A 14 -39.215 -26.466 28.933 1.00 0.00 O ATOM 187 CB ILE A 14 -36.790 -24.143 29.254 1.00 0.00 C ATOM 188 CG1 ILE A 14 -36.384 -22.868 29.998 1.00 0.00 C ATOM 189 CG2 ILE A 14 -37.488 -23.797 27.941 1.00 0.00 C ATOM 190 CD1 ILE A 14 -35.338 -22.050 29.273 1.00 0.00 C ATOM 0 H ILE A 14 -36.062 -25.171 31.421 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.624 -24.452 30.367 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.890 -24.714 29.024 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -37.269 -22.252 30.156 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -36.003 -23.138 30.983 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -36.825 -23.189 27.326 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.737 -24.715 27.408 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -38.401 -23.240 28.150 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -35.100 -21.162 29.859 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -34.437 -22.648 29.138 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -35.723 -21.749 28.299 1.00 0.00 H new ATOM 202 N VAL A 15 -37.103 -27.185 29.260 1.00 0.00 N ATOM 203 CA VAL A 15 -37.275 -28.431 28.527 1.00 0.00 C ATOM 204 C VAL A 15 -37.070 -29.627 29.464 1.00 0.00 C ATOM 205 O VAL A 15 -35.941 -30.025 29.740 1.00 0.00 O ATOM 206 CB VAL A 15 -36.277 -28.526 27.337 1.00 0.00 C ATOM 207 CG1 VAL A 15 -36.522 -29.782 26.517 1.00 0.00 C ATOM 208 CG2 VAL A 15 -36.371 -27.288 26.457 1.00 0.00 C ATOM 0 H VAL A 15 -36.174 -27.066 29.665 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.290 -28.448 28.129 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.269 -28.582 27.749 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -35.811 -29.823 25.692 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -36.394 -30.660 27.150 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -37.537 -29.765 26.120 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -35.665 -27.374 25.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -37.383 -27.198 26.062 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.132 -26.403 27.047 1.00 0.00 H new ATOM 218 N PRO A 16 -38.167 -30.206 29.971 1.00 0.00 N ATOM 219 CA PRO A 16 -38.108 -31.316 30.930 1.00 0.00 C ATOM 220 C PRO A 16 -37.565 -32.610 30.323 1.00 0.00 C ATOM 221 O PRO A 16 -37.077 -33.484 31.041 1.00 0.00 O ATOM 222 CB PRO A 16 -39.564 -31.500 31.359 1.00 0.00 C ATOM 223 CG PRO A 16 -40.365 -30.954 30.229 1.00 0.00 C ATOM 224 CD PRO A 16 -39.555 -29.833 29.643 1.00 0.00 C ATOM 0 HA PRO A 16 -37.428 -31.091 31.752 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -39.795 -32.551 31.536 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -39.774 -30.967 32.286 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -40.560 -31.724 29.483 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -41.333 -30.594 30.577 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -39.705 -29.749 28.567 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.826 -28.871 30.078 1.00 0.00 H new ATOM 232 N THR A 17 -37.642 -32.726 29.008 1.00 0.00 N ATOM 233 CA THR A 17 -37.188 -33.929 28.332 1.00 0.00 C ATOM 234 C THR A 17 -35.678 -33.883 28.060 1.00 0.00 C ATOM 235 O THR A 17 -35.088 -34.870 27.613 1.00 0.00 O ATOM 236 CB THR A 17 -37.975 -34.174 27.011 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.548 -35.396 26.392 1.00 0.00 O ATOM 238 CG2 THR A 17 -37.787 -33.023 26.036 1.00 0.00 C ATOM 0 H THR A 17 -38.013 -32.005 28.389 1.00 0.00 H new ATOM 0 HA THR A 17 -37.386 -34.766 29.001 1.00 0.00 H new ATOM 0 HB THR A 17 -39.032 -34.246 27.267 1.00 0.00 H new ATOM 0 HG1 THR A 17 -36.615 -35.576 26.633 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.349 -33.224 25.124 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.148 -32.100 26.489 1.00 0.00 H new ATOM 0 HG23 THR A 17 -36.729 -32.919 25.795 1.00 0.00 H new ATOM 246 N ARG A 18 -35.060 -32.744 28.345 1.00 0.00 N ATOM 247 CA ARG A 18 -33.624 -32.581 28.162 1.00 0.00 C ATOM 248 C ARG A 18 -33.076 -31.614 29.218 1.00 0.00 C ATOM 249 O ARG A 18 -32.906 -30.427 28.958 1.00 0.00 O ATOM 250 CB ARG A 18 -33.315 -32.075 26.747 1.00 0.00 C ATOM 251 CG ARG A 18 -31.844 -32.114 26.381 1.00 0.00 C ATOM 252 CD ARG A 18 -31.626 -31.677 24.944 1.00 0.00 C ATOM 253 NE ARG A 18 -30.249 -31.889 24.512 1.00 0.00 N ATOM 254 CZ ARG A 18 -29.814 -31.725 23.264 1.00 0.00 C ATOM 255 NH1 ARG A 18 -30.642 -31.298 22.314 1.00 0.00 N ATOM 256 NH2 ARG A 18 -28.546 -31.983 22.966 1.00 0.00 N ATOM 0 H ARG A 18 -35.534 -31.916 28.706 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.137 -33.549 28.285 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -33.873 -32.676 26.028 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -33.674 -31.050 26.653 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -31.282 -31.464 27.051 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.458 -33.124 26.520 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -32.300 -32.230 24.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -31.879 -30.622 24.843 1.00 0.00 H new ATOM 0 HE ARG A 18 -29.572 -32.184 25.215 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -31.616 -31.094 22.540 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -30.303 -31.174 21.360 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -27.907 -32.306 23.692 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -28.211 -31.858 22.011 1.00 0.00 H new ATOM 270 N PRO A 19 -32.851 -32.118 30.449 1.00 0.00 N ATOM 271 CA PRO A 19 -32.372 -31.298 31.571 1.00 0.00 C ATOM 272 C PRO A 19 -30.983 -30.687 31.352 1.00 0.00 C ATOM 273 O PRO A 19 -30.790 -29.498 31.574 1.00 0.00 O ATOM 274 CB PRO A 19 -32.353 -32.274 32.755 1.00 0.00 C ATOM 275 CG PRO A 19 -32.316 -33.627 32.139 1.00 0.00 C ATOM 276 CD PRO A 19 -33.062 -33.519 30.845 1.00 0.00 C ATOM 0 HA PRO A 19 -33.017 -30.432 31.718 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -31.484 -32.106 33.391 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -33.236 -32.150 33.383 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -31.289 -33.950 31.970 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -32.778 -34.365 32.794 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -32.674 -34.211 30.098 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.121 -33.747 30.971 1.00 0.00 H new ATOM 284 N TYR A 20 -30.023 -31.499 30.935 1.00 0.00 N ATOM 285 CA TYR A 20 -28.663 -31.017 30.716 1.00 0.00 C ATOM 286 C TYR A 20 -28.220 -31.218 29.287 1.00 0.00 C ATOM 287 O TYR A 20 -28.476 -32.263 28.683 1.00 0.00 O ATOM 288 CB TYR A 20 -27.657 -31.703 31.658 1.00 0.00 C ATOM 289 CG TYR A 20 -27.708 -31.238 33.100 1.00 0.00 C ATOM 290 CD1 TYR A 20 -28.650 -31.743 33.986 1.00 0.00 C ATOM 291 CD2 TYR A 20 -26.793 -30.296 33.579 1.00 0.00 C ATOM 292 CE1 TYR A 20 -28.686 -31.327 35.303 1.00 0.00 C ATOM 293 CE2 TYR A 20 -26.828 -29.875 34.893 1.00 0.00 C ATOM 294 CZ TYR A 20 -27.775 -30.392 35.750 1.00 0.00 C ATOM 295 OH TYR A 20 -27.806 -29.981 37.062 1.00 0.00 O ATOM 0 H TYR A 20 -30.157 -32.491 30.741 1.00 0.00 H new ATOM 0 HA TYR A 20 -28.681 -29.949 30.933 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -27.834 -32.778 31.633 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -26.651 -31.536 31.274 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -29.367 -32.473 33.640 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.047 -29.891 32.911 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -29.424 -31.732 35.980 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -26.117 -29.144 35.248 1.00 0.00 H new ATOM 0 HH TYR A 20 -27.157 -29.258 37.194 1.00 0.00 H new ATOM 305 N VAL A 21 -27.558 -30.216 28.758 1.00 0.00 N ATOM 306 CA VAL A 21 -26.967 -30.283 27.446 1.00 0.00 C ATOM 307 C VAL A 21 -25.518 -29.880 27.545 1.00 0.00 C ATOM 308 O VAL A 21 -25.153 -29.018 28.348 1.00 0.00 O ATOM 309 CB VAL A 21 -27.697 -29.386 26.413 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.641 -27.920 26.809 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.138 -29.582 25.012 1.00 0.00 C ATOM 0 H VAL A 21 -27.414 -29.324 29.232 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.059 -31.309 27.089 1.00 0.00 H new ATOM 0 HB VAL A 21 -28.743 -29.694 26.406 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.163 -27.321 26.062 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.119 -27.787 27.779 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.601 -27.599 26.870 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -27.673 -28.938 24.314 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.079 -29.326 25.004 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.262 -30.623 24.713 1.00 0.00 H new ATOM 321 N SER A 22 -24.707 -30.504 26.769 1.00 0.00 N ATOM 322 CA SER A 22 -23.295 -30.224 26.786 1.00 0.00 C ATOM 323 C SER A 22 -22.940 -29.243 25.680 1.00 0.00 C ATOM 324 O SER A 22 -23.088 -29.544 24.490 1.00 0.00 O ATOM 325 CB SER A 22 -22.492 -31.525 26.665 1.00 0.00 C ATOM 326 OG SER A 22 -23.021 -32.366 25.654 1.00 0.00 O ATOM 0 H SER A 22 -24.990 -31.222 26.102 1.00 0.00 H new ATOM 0 HA SER A 22 -23.035 -29.761 27.738 1.00 0.00 H new ATOM 0 HB2 SER A 22 -21.451 -31.293 26.440 1.00 0.00 H new ATOM 0 HB3 SER A 22 -22.502 -32.051 27.620 1.00 0.00 H new ATOM 0 HG SER A 22 -23.262 -31.826 24.872 1.00 0.00 H new ATOM 332 N ILE A 23 -22.481 -28.070 26.070 1.00 0.00 N ATOM 333 CA ILE A 23 -22.150 -27.046 25.108 1.00 0.00 C ATOM 334 C ILE A 23 -20.669 -26.720 25.192 1.00 0.00 C ATOM 335 O ILE A 23 -20.026 -26.990 26.213 1.00 0.00 O ATOM 336 CB ILE A 23 -22.954 -25.744 25.350 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.475 -25.047 26.623 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.440 -26.064 25.442 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.916 -23.607 26.715 1.00 0.00 C ATOM 0 H ILE A 23 -22.330 -27.806 27.044 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.405 -27.434 24.122 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.791 -25.067 24.511 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.850 -25.591 27.490 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.387 -25.090 26.665 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -25.000 -25.145 25.612 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.771 -26.524 24.511 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.613 -26.753 26.269 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.543 -23.171 27.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.519 -23.050 25.866 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -24.005 -23.559 26.704 1.00 0.00 H new ATOM 351 N LEU A 24 -20.124 -26.159 24.133 1.00 0.00 N ATOM 352 CA LEU A 24 -18.736 -25.774 24.117 1.00 0.00 C ATOM 353 C LEU A 24 -18.621 -24.273 24.330 1.00 0.00 C ATOM 354 O LEU A 24 -19.204 -23.481 23.581 1.00 0.00 O ATOM 355 CB LEU A 24 -18.062 -26.173 22.788 1.00 0.00 C ATOM 356 CG LEU A 24 -17.951 -27.681 22.476 1.00 0.00 C ATOM 357 CD1 LEU A 24 -17.369 -28.449 23.655 1.00 0.00 C ATOM 358 CD2 LEU A 24 -19.295 -28.262 22.049 1.00 0.00 C ATOM 0 H LEU A 24 -20.628 -25.960 23.269 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.224 -26.298 24.924 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.613 -25.700 21.975 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -17.057 -25.752 22.780 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.264 -27.791 21.637 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -17.304 -29.508 23.403 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.373 -28.068 23.882 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.013 -28.322 24.525 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -19.181 -29.325 21.837 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.021 -28.128 22.851 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -19.645 -27.749 21.153 1.00 0.00 H new ATOM 370 N ALA A 25 -17.891 -23.886 25.349 1.00 0.00 N ATOM 371 CA ALA A 25 -17.697 -22.486 25.671 1.00 0.00 C ATOM 372 C ALA A 25 -16.366 -22.300 26.353 1.00 0.00 C ATOM 373 O ALA A 25 -15.922 -23.169 27.106 1.00 0.00 O ATOM 374 CB ALA A 25 -18.823 -21.990 26.570 1.00 0.00 C ATOM 0 H ALA A 25 -17.414 -24.530 25.980 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.709 -21.905 24.749 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.665 -20.937 26.804 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.777 -22.108 26.057 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.833 -22.569 27.493 1.00 0.00 H new ATOM 380 N GLU A 26 -15.721 -21.189 26.088 1.00 0.00 N ATOM 381 CA GLU A 26 -14.450 -20.904 26.707 1.00 0.00 C ATOM 382 C GLU A 26 -14.615 -19.883 27.798 1.00 0.00 C ATOM 383 O GLU A 26 -15.580 -19.124 27.811 1.00 0.00 O ATOM 384 CB GLU A 26 -13.420 -20.426 25.692 1.00 0.00 C ATOM 385 CG GLU A 26 -12.989 -21.492 24.705 1.00 0.00 C ATOM 386 CD GLU A 26 -11.894 -21.009 23.790 1.00 0.00 C ATOM 387 OE1 GLU A 26 -10.777 -20.753 24.285 1.00 0.00 O ATOM 388 OE2 GLU A 26 -12.139 -20.883 22.571 1.00 0.00 O ATOM 0 H GLU A 26 -16.056 -20.468 25.448 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.082 -21.834 27.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.832 -19.581 25.141 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.542 -20.062 26.225 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.644 -22.371 25.249 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.848 -21.802 24.110 1.00 0.00 H new ATOM 395 N ILE A 27 -13.666 -19.859 28.706 1.00 0.00 N ATOM 396 CA ILE A 27 -13.709 -18.951 29.830 1.00 0.00 C ATOM 397 C ILE A 27 -13.605 -17.498 29.378 1.00 0.00 C ATOM 398 O ILE A 27 -14.131 -16.600 30.026 1.00 0.00 O ATOM 399 CB ILE A 27 -12.601 -19.272 30.856 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.671 -18.305 32.028 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.228 -19.214 30.198 1.00 0.00 C ATOM 402 CD1 ILE A 27 -11.938 -18.778 33.242 1.00 0.00 C ATOM 0 H ILE A 27 -12.846 -20.465 28.687 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.675 -19.089 30.315 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.759 -20.284 31.230 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.262 -17.343 31.719 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.716 -18.138 32.288 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.460 -19.443 30.937 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.181 -19.943 29.389 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.059 -18.215 29.797 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.032 -18.037 34.036 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.362 -19.725 33.577 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.885 -18.918 33.000 1.00 0.00 H new ATOM 414 N ASN A 28 -12.973 -17.285 28.238 1.00 0.00 N ATOM 415 CA ASN A 28 -12.764 -15.939 27.717 1.00 0.00 C ATOM 416 C ASN A 28 -13.996 -15.455 26.954 1.00 0.00 C ATOM 417 O ASN A 28 -13.962 -14.411 26.303 1.00 0.00 O ATOM 418 CB ASN A 28 -11.542 -15.905 26.788 1.00 0.00 C ATOM 419 CG ASN A 28 -10.239 -16.216 27.497 1.00 0.00 C ATOM 420 OD1 ASN A 28 -10.075 -15.933 28.681 1.00 0.00 O ATOM 421 ND2 ASN A 28 -9.303 -16.809 26.779 1.00 0.00 N ATOM 0 H ASN A 28 -12.593 -18.027 27.651 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.590 -15.276 28.565 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.688 -16.623 25.981 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.471 -14.919 26.329 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.408 -17.047 27.205 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.475 -17.029 25.798 1.00 0.00 H new ATOM 428 N GLU A 29 -15.078 -16.210 27.045 1.00 0.00 N ATOM 429 CA GLU A 29 -16.312 -15.866 26.371 1.00 0.00 C ATOM 430 C GLU A 29 -17.356 -15.441 27.403 1.00 0.00 C ATOM 431 O GLU A 29 -17.364 -15.947 28.531 1.00 0.00 O ATOM 432 CB GLU A 29 -16.809 -17.062 25.545 1.00 0.00 C ATOM 433 CG GLU A 29 -15.833 -17.480 24.451 1.00 0.00 C ATOM 434 CD GLU A 29 -16.311 -18.666 23.638 1.00 0.00 C ATOM 435 OE1 GLU A 29 -16.870 -19.615 24.221 1.00 0.00 O ATOM 436 OE2 GLU A 29 -16.102 -18.663 22.404 1.00 0.00 O ATOM 0 H GLU A 29 -15.123 -17.074 27.586 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.138 -15.033 25.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.984 -17.908 26.210 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.767 -16.810 25.091 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.664 -16.635 23.783 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.873 -17.724 24.905 1.00 0.00 H new ATOM 443 N ASN A 30 -18.219 -14.502 27.035 1.00 0.00 N ATOM 444 CA ASN A 30 -19.226 -13.996 27.971 1.00 0.00 C ATOM 445 C ASN A 30 -20.362 -14.982 28.140 1.00 0.00 C ATOM 446 O ASN A 30 -20.437 -16.001 27.440 1.00 0.00 O ATOM 447 CB ASN A 30 -19.819 -12.650 27.526 1.00 0.00 C ATOM 448 CG ASN A 30 -18.795 -11.575 27.262 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.300 -10.930 28.177 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.502 -11.350 26.003 1.00 0.00 N ATOM 0 H ASN A 30 -18.246 -14.077 26.108 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.705 -13.856 28.918 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.405 -12.807 26.620 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.507 -12.298 28.294 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.839 -10.615 25.757 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.937 -11.911 25.270 1.00 0.00 H new ATOM 457 N ALA A 31 -21.262 -14.659 29.052 1.00 0.00 N ATOM 458 CA ALA A 31 -22.425 -15.475 29.322 1.00 0.00 C ATOM 459 C ALA A 31 -23.308 -15.585 28.087 1.00 0.00 C ATOM 460 O ALA A 31 -24.021 -16.558 27.927 1.00 0.00 O ATOM 461 CB ALA A 31 -23.217 -14.890 30.483 1.00 0.00 C ATOM 0 H ALA A 31 -21.203 -13.819 29.627 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.087 -16.476 29.591 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.090 -15.512 30.678 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.588 -14.858 31.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.540 -13.880 30.231 1.00 0.00 H new ATOM 467 N ASP A 32 -23.244 -14.584 27.210 1.00 0.00 N ATOM 468 CA ASP A 32 -24.053 -14.585 26.001 1.00 0.00 C ATOM 469 C ASP A 32 -23.675 -15.745 25.098 1.00 0.00 C ATOM 470 O ASP A 32 -24.534 -16.344 24.463 1.00 0.00 O ATOM 471 CB ASP A 32 -23.939 -13.249 25.235 1.00 0.00 C ATOM 472 CG ASP A 32 -22.673 -13.109 24.414 1.00 0.00 C ATOM 473 OD1 ASP A 32 -22.672 -13.544 23.242 1.00 0.00 O ATOM 474 OD2 ASP A 32 -21.683 -12.552 24.924 1.00 0.00 O ATOM 0 H ASP A 32 -22.642 -13.767 27.317 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.092 -14.705 26.308 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.800 -13.147 24.574 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -23.987 -12.428 25.950 1.00 0.00 H new ATOM 479 N ARG A 33 -22.390 -16.065 25.048 1.00 0.00 N ATOM 480 CA ARG A 33 -21.922 -17.157 24.254 1.00 0.00 C ATOM 481 C ARG A 33 -22.451 -18.470 24.811 1.00 0.00 C ATOM 482 O ARG A 33 -22.919 -19.331 24.070 1.00 0.00 O ATOM 483 CB ARG A 33 -20.402 -17.145 24.231 1.00 0.00 C ATOM 484 CG ARG A 33 -19.792 -18.278 23.458 1.00 0.00 C ATOM 485 CD ARG A 33 -20.167 -18.230 21.983 1.00 0.00 C ATOM 486 NE ARG A 33 -19.785 -16.966 21.343 1.00 0.00 N ATOM 487 CZ ARG A 33 -19.265 -16.872 20.117 1.00 0.00 C ATOM 488 NH1 ARG A 33 -18.982 -17.968 19.424 1.00 0.00 N ATOM 489 NH2 ARG A 33 -19.014 -15.678 19.589 1.00 0.00 N ATOM 0 H ARG A 33 -21.659 -15.570 25.558 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.288 -17.054 23.232 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.063 -16.202 23.801 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.033 -17.179 25.256 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.707 -18.242 23.558 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.120 -19.226 23.885 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.684 -19.057 21.462 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -21.243 -18.374 21.881 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.926 -16.103 21.869 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -19.162 -18.887 19.828 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.585 -17.891 18.488 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.219 -14.832 20.121 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.617 -15.608 18.652 1.00 0.00 H new ATOM 503 N ILE A 34 -22.390 -18.595 26.125 1.00 0.00 N ATOM 504 CA ILE A 34 -22.885 -19.772 26.810 1.00 0.00 C ATOM 505 C ILE A 34 -24.404 -19.894 26.630 1.00 0.00 C ATOM 506 O ILE A 34 -24.922 -20.964 26.290 1.00 0.00 O ATOM 507 CB ILE A 34 -22.553 -19.670 28.321 1.00 0.00 C ATOM 508 CG1 ILE A 34 -21.038 -19.715 28.528 1.00 0.00 C ATOM 509 CG2 ILE A 34 -23.234 -20.784 29.113 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.601 -19.362 29.934 1.00 0.00 C ATOM 0 H ILE A 34 -21.997 -17.885 26.744 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.406 -20.654 26.385 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.934 -18.718 28.691 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.677 -20.715 28.286 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.565 -19.027 27.827 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.982 -20.686 30.169 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -24.314 -20.710 28.989 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.892 -21.752 28.747 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.514 -19.416 30.002 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.930 -18.351 30.174 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.044 -20.065 30.640 1.00 0.00 H new ATOM 522 N LEU A 35 -25.095 -18.779 26.824 1.00 0.00 N ATOM 523 CA LEU A 35 -26.545 -18.720 26.702 1.00 0.00 C ATOM 524 C LEU A 35 -26.990 -19.022 25.279 1.00 0.00 C ATOM 525 O LEU A 35 -27.884 -19.826 25.064 1.00 0.00 O ATOM 526 CB LEU A 35 -27.044 -17.326 27.130 1.00 0.00 C ATOM 527 CG LEU A 35 -28.548 -17.052 26.982 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.365 -18.019 27.827 1.00 0.00 C ATOM 529 CD2 LEU A 35 -28.857 -15.614 27.374 1.00 0.00 C ATOM 0 H LEU A 35 -24.665 -17.888 27.071 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.977 -19.478 27.356 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.772 -17.174 28.175 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.504 -16.579 26.548 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.823 -17.202 25.938 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.426 -17.803 27.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.163 -19.041 27.507 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.091 -17.906 28.876 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -29.926 -15.429 27.266 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.563 -15.448 28.410 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.304 -14.934 26.727 1.00 0.00 H new ATOM 541 N GLY A 36 -26.334 -18.396 24.317 1.00 0.00 N ATOM 542 CA GLY A 36 -26.700 -18.567 22.931 1.00 0.00 C ATOM 543 C GLY A 36 -26.460 -19.965 22.420 1.00 0.00 C ATOM 544 O GLY A 36 -27.305 -20.522 21.728 1.00 0.00 O ATOM 0 H GLY A 36 -25.547 -17.767 24.475 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.754 -18.318 22.807 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.133 -17.863 22.323 1.00 0.00 H new ATOM 548 N ALA A 37 -25.316 -20.540 22.771 1.00 0.00 N ATOM 549 CA ALA A 37 -24.972 -21.885 22.328 1.00 0.00 C ATOM 550 C ALA A 37 -25.973 -22.906 22.838 1.00 0.00 C ATOM 551 O ALA A 37 -26.483 -23.718 22.079 1.00 0.00 O ATOM 552 CB ALA A 37 -23.570 -22.252 22.796 1.00 0.00 C ATOM 0 H ALA A 37 -24.612 -20.096 23.360 1.00 0.00 H new ATOM 0 HA ALA A 37 -25.001 -21.896 21.238 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.326 -23.259 22.458 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.851 -21.546 22.381 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.528 -22.214 23.885 1.00 0.00 H new ATOM 558 N ALA A 38 -26.260 -22.843 24.121 1.00 0.00 N ATOM 559 CA ALA A 38 -27.186 -23.769 24.743 1.00 0.00 C ATOM 560 C ALA A 38 -28.608 -23.544 24.257 1.00 0.00 C ATOM 561 O ALA A 38 -29.347 -24.490 24.001 1.00 0.00 O ATOM 562 CB ALA A 38 -27.123 -23.625 26.236 1.00 0.00 C ATOM 0 H ALA A 38 -25.862 -22.154 24.759 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.894 -24.781 24.462 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -27.821 -24.323 26.699 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.112 -23.841 26.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.391 -22.606 26.515 1.00 0.00 H new ATOM 568 N LEU A 39 -28.972 -22.287 24.122 1.00 0.00 N ATOM 569 CA LEU A 39 -30.304 -21.904 23.692 1.00 0.00 C ATOM 570 C LEU A 39 -30.544 -22.403 22.260 1.00 0.00 C ATOM 571 O LEU A 39 -31.653 -22.820 21.903 1.00 0.00 O ATOM 572 CB LEU A 39 -30.440 -20.388 23.779 1.00 0.00 C ATOM 573 CG LEU A 39 -31.828 -19.822 23.604 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.737 -20.305 24.725 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.769 -18.318 23.601 1.00 0.00 C ATOM 0 H LEU A 39 -28.353 -21.498 24.307 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.055 -22.357 24.339 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -30.061 -20.067 24.750 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.793 -19.944 23.022 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.233 -20.165 22.652 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.736 -19.890 24.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.791 -21.394 24.706 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.337 -19.978 25.685 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.774 -17.915 23.474 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.354 -17.968 24.546 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -31.136 -17.980 22.780 1.00 0.00 H new ATOM 587 N GLU A 40 -29.482 -22.350 21.456 1.00 0.00 N ATOM 588 CA GLU A 40 -29.488 -22.836 20.077 1.00 0.00 C ATOM 589 C GLU A 40 -29.826 -24.337 20.039 1.00 0.00 C ATOM 590 O GLU A 40 -30.534 -24.803 19.147 1.00 0.00 O ATOM 591 CB GLU A 40 -28.105 -22.594 19.457 1.00 0.00 C ATOM 592 CG GLU A 40 -27.933 -23.108 18.037 1.00 0.00 C ATOM 593 CD GLU A 40 -28.720 -22.321 17.015 1.00 0.00 C ATOM 594 OE1 GLU A 40 -29.881 -22.672 16.750 1.00 0.00 O ATOM 595 OE2 GLU A 40 -28.160 -21.354 16.458 1.00 0.00 O ATOM 0 H GLU A 40 -28.584 -21.964 21.747 1.00 0.00 H new ATOM 0 HA GLU A 40 -30.247 -22.299 19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.903 -21.523 19.465 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.353 -23.065 20.090 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -26.876 -23.077 17.773 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -28.242 -24.153 17.997 1.00 0.00 H new ATOM 602 N LYS A 41 -29.326 -25.076 21.027 1.00 0.00 N ATOM 603 CA LYS A 41 -29.555 -26.526 21.128 1.00 0.00 C ATOM 604 C LYS A 41 -31.029 -26.850 21.273 1.00 0.00 C ATOM 605 O LYS A 41 -31.512 -27.843 20.726 1.00 0.00 O ATOM 606 CB LYS A 41 -28.764 -27.123 22.312 1.00 0.00 C ATOM 607 CG LYS A 41 -27.290 -27.423 22.022 1.00 0.00 C ATOM 608 CD LYS A 41 -26.692 -26.446 21.021 1.00 0.00 C ATOM 609 CE LYS A 41 -25.231 -26.725 20.753 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.666 -25.773 19.757 1.00 0.00 N ATOM 0 H LYS A 41 -28.753 -24.694 21.779 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.200 -26.976 20.201 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -28.820 -26.431 23.152 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.252 -28.046 22.627 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -26.723 -27.381 22.952 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -27.196 -28.438 21.637 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -27.248 -26.501 20.085 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -26.803 -25.429 21.398 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.669 -26.654 21.684 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.116 -27.746 20.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.662 -25.993 19.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.187 -25.859 18.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.754 -24.801 20.117 1.00 0.00 H new ATOM 624 N TYR A 42 -31.745 -26.020 22.008 1.00 0.00 N ATOM 625 CA TYR A 42 -33.162 -26.251 22.224 1.00 0.00 C ATOM 626 C TYR A 42 -34.007 -25.555 21.151 1.00 0.00 C ATOM 627 O TYR A 42 -35.232 -25.643 21.161 1.00 0.00 O ATOM 628 CB TYR A 42 -33.585 -25.785 23.621 1.00 0.00 C ATOM 629 CG TYR A 42 -32.794 -26.425 24.750 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.056 -27.724 25.161 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.779 -25.732 25.396 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.338 -28.312 26.182 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.056 -26.314 26.419 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.343 -27.604 26.808 1.00 0.00 C ATOM 635 OH TYR A 42 -30.626 -28.188 27.826 1.00 0.00 O ATOM 0 H TYR A 42 -31.373 -25.186 22.463 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.336 -27.324 22.150 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.474 -24.702 23.681 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.643 -26.005 23.762 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -33.838 -28.286 24.672 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.551 -24.721 25.093 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -32.558 -29.324 26.487 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.270 -25.761 26.911 1.00 0.00 H new ATOM 0 HH TYR A 42 -30.580 -29.156 27.680 1.00 0.00 H new ATOM 645 N GLY A 43 -33.337 -24.871 20.225 1.00 0.00 N ATOM 646 CA GLY A 43 -34.036 -24.189 19.144 1.00 0.00 C ATOM 647 C GLY A 43 -34.767 -22.942 19.608 1.00 0.00 C ATOM 648 O GLY A 43 -35.763 -22.529 19.000 1.00 0.00 O ATOM 0 H GLY A 43 -32.322 -24.776 20.203 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -33.319 -23.917 18.369 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.751 -24.875 18.690 1.00 0.00 H new ATOM 652 N LEU A 44 -34.289 -22.342 20.681 1.00 0.00 N ATOM 653 CA LEU A 44 -34.924 -21.151 21.233 1.00 0.00 C ATOM 654 C LEU A 44 -34.019 -19.935 21.103 1.00 0.00 C ATOM 655 O LEU A 44 -34.225 -18.933 21.776 1.00 0.00 O ATOM 656 CB LEU A 44 -35.289 -21.377 22.699 1.00 0.00 C ATOM 657 CG LEU A 44 -36.252 -22.531 22.973 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.515 -22.662 24.464 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.551 -22.329 22.210 1.00 0.00 C ATOM 0 H LEU A 44 -33.463 -22.656 21.191 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.834 -20.961 20.663 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.371 -21.554 23.260 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.730 -20.460 23.090 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.793 -23.457 22.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.203 -23.489 24.641 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.576 -22.854 24.984 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -36.955 -21.738 24.838 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.227 -23.159 22.416 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -38.017 -21.395 22.526 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.342 -22.287 21.141 1.00 0.00 H new ATOM 671 N GLU A 45 -33.054 -20.024 20.196 1.00 0.00 N ATOM 672 CA GLU A 45 -32.034 -18.982 19.995 1.00 0.00 C ATOM 673 C GLU A 45 -32.669 -17.591 19.797 1.00 0.00 C ATOM 674 O GLU A 45 -32.178 -16.589 20.329 1.00 0.00 O ATOM 675 CB GLU A 45 -31.177 -19.361 18.773 1.00 0.00 C ATOM 676 CG GLU A 45 -29.741 -18.831 18.782 1.00 0.00 C ATOM 677 CD GLU A 45 -29.635 -17.341 18.524 1.00 0.00 C ATOM 678 OE1 GLU A 45 -30.474 -16.797 17.778 1.00 0.00 O ATOM 679 OE2 GLU A 45 -28.691 -16.710 19.043 1.00 0.00 O ATOM 0 H GLU A 45 -32.950 -20.823 19.571 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.411 -18.923 20.887 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -31.144 -20.448 18.698 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.675 -18.995 17.875 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -29.287 -19.056 19.747 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.163 -19.363 18.026 1.00 0.00 H new ATOM 686 N HIS A 46 -33.770 -17.545 19.066 1.00 0.00 N ATOM 687 CA HIS A 46 -34.451 -16.285 18.767 1.00 0.00 C ATOM 688 C HIS A 46 -35.174 -15.725 20.006 1.00 0.00 C ATOM 689 O HIS A 46 -35.435 -14.530 20.094 1.00 0.00 O ATOM 690 CB HIS A 46 -35.439 -16.481 17.610 1.00 0.00 C ATOM 691 CG HIS A 46 -36.056 -15.214 17.100 1.00 0.00 C ATOM 692 ND1 HIS A 46 -35.503 -14.467 16.083 1.00 0.00 N ATOM 693 CD2 HIS A 46 -37.185 -14.561 17.466 1.00 0.00 C ATOM 694 CE1 HIS A 46 -36.263 -13.415 15.846 1.00 0.00 C ATOM 695 NE2 HIS A 46 -37.288 -13.449 16.671 1.00 0.00 N ATOM 0 H HIS A 46 -34.218 -18.368 18.664 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.696 -15.557 18.470 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -34.923 -16.976 16.787 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -36.234 -17.152 17.937 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -37.876 -14.861 18.240 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -36.076 -12.655 15.102 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -38.038 -12.759 16.712 1.00 0.00 H new ATOM 703 N SER A 47 -35.473 -16.589 20.958 1.00 0.00 N ATOM 704 CA SER A 47 -36.190 -16.190 22.166 1.00 0.00 C ATOM 705 C SER A 47 -35.215 -15.831 23.302 1.00 0.00 C ATOM 706 O SER A 47 -35.591 -15.806 24.468 1.00 0.00 O ATOM 707 CB SER A 47 -37.121 -17.322 22.608 1.00 0.00 C ATOM 708 OG SER A 47 -38.008 -17.692 21.560 1.00 0.00 O ATOM 0 H SER A 47 -35.231 -17.579 20.922 1.00 0.00 H new ATOM 0 HA SER A 47 -36.779 -15.301 21.939 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.530 -18.186 22.911 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.694 -17.007 23.480 1.00 0.00 H new ATOM 0 HG SER A 47 -38.591 -18.418 21.866 1.00 0.00 H new ATOM 714 N LYS A 48 -33.981 -15.509 22.935 1.00 0.00 N ATOM 715 CA LYS A 48 -32.916 -15.213 23.903 1.00 0.00 C ATOM 716 C LYS A 48 -33.273 -14.032 24.797 1.00 0.00 C ATOM 717 O LYS A 48 -32.916 -13.999 25.975 1.00 0.00 O ATOM 718 CB LYS A 48 -31.625 -14.899 23.166 1.00 0.00 C ATOM 719 CG LYS A 48 -30.379 -15.062 24.016 1.00 0.00 C ATOM 720 CD LYS A 48 -29.126 -14.777 23.211 1.00 0.00 C ATOM 721 CE LYS A 48 -28.970 -15.743 22.046 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.861 -15.350 21.142 1.00 0.00 N ATOM 0 H LYS A 48 -33.684 -15.444 21.961 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.792 -16.094 24.532 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.547 -15.550 22.295 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.669 -13.875 22.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.427 -14.387 24.870 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.337 -16.076 24.413 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -29.161 -13.755 22.833 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.253 -14.847 23.860 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.787 -16.747 22.430 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.901 -15.783 21.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -28.106 -15.600 20.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.706 -14.324 21.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.993 -15.850 21.420 1.00 0.00 H new ATOM 736 N ASP A 49 -33.989 -13.087 24.228 1.00 0.00 N ATOM 737 CA ASP A 49 -34.375 -11.848 24.912 1.00 0.00 C ATOM 738 C ASP A 49 -35.262 -12.106 26.147 1.00 0.00 C ATOM 739 O ASP A 49 -35.555 -11.190 26.912 1.00 0.00 O ATOM 740 CB ASP A 49 -35.093 -10.927 23.917 1.00 0.00 C ATOM 741 CG ASP A 49 -35.416 -9.562 24.483 1.00 0.00 C ATOM 742 OD1 ASP A 49 -34.475 -8.808 24.805 1.00 0.00 O ATOM 743 OD2 ASP A 49 -36.612 -9.224 24.578 1.00 0.00 O ATOM 0 H ASP A 49 -34.329 -13.147 23.268 1.00 0.00 H new ATOM 0 HA ASP A 49 -33.467 -11.369 25.278 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -34.470 -10.806 23.031 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -36.017 -11.405 23.593 1.00 0.00 H new ATOM 748 N ASP A 50 -35.684 -13.347 26.334 1.00 0.00 N ATOM 749 CA ASP A 50 -36.544 -13.710 27.461 1.00 0.00 C ATOM 750 C ASP A 50 -35.772 -14.503 28.540 1.00 0.00 C ATOM 751 O ASP A 50 -36.287 -14.741 29.630 1.00 0.00 O ATOM 752 CB ASP A 50 -37.736 -14.542 26.944 1.00 0.00 C ATOM 753 CG ASP A 50 -38.768 -14.881 28.015 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.628 -14.018 28.315 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.752 -16.017 28.527 1.00 0.00 O ATOM 0 H ASP A 50 -35.446 -14.126 25.720 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.903 -12.792 27.926 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.228 -13.993 26.141 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.359 -15.469 26.512 1.00 0.00 H new ATOM 760 N PHE A 51 -34.520 -14.870 28.260 1.00 0.00 N ATOM 761 CA PHE A 51 -33.783 -15.740 29.189 1.00 0.00 C ATOM 762 C PHE A 51 -32.415 -15.176 29.580 1.00 0.00 C ATOM 763 O PHE A 51 -31.818 -14.384 28.852 1.00 0.00 O ATOM 764 CB PHE A 51 -33.567 -17.113 28.566 1.00 0.00 C ATOM 765 CG PHE A 51 -34.816 -17.786 28.076 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.664 -18.439 28.950 1.00 0.00 C ATOM 767 CD2 PHE A 51 -35.135 -17.766 26.728 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.810 -19.057 28.490 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.278 -18.384 26.264 1.00 0.00 C ATOM 770 CZ PHE A 51 -37.117 -19.029 27.146 1.00 0.00 C ATOM 0 H PHE A 51 -34.005 -14.591 27.425 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.395 -15.807 30.088 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.874 -17.012 27.731 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -33.088 -17.759 29.302 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.428 -18.466 30.004 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.481 -17.261 26.032 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.466 -19.562 29.183 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.515 -18.362 25.210 1.00 0.00 H new ATOM 0 HZ PHE A 51 -38.013 -19.512 26.786 1.00 0.00 H new ATOM 780 N ILE A 52 -31.944 -15.602 30.752 1.00 0.00 N ATOM 781 CA ILE A 52 -30.610 -15.270 31.266 1.00 0.00 C ATOM 782 C ILE A 52 -30.012 -16.523 31.905 1.00 0.00 C ATOM 783 O ILE A 52 -30.682 -17.559 31.988 1.00 0.00 O ATOM 784 CB ILE A 52 -30.630 -14.122 32.319 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.500 -14.510 33.522 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.106 -12.818 31.693 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.433 -13.526 34.669 1.00 0.00 C ATOM 0 H ILE A 52 -32.484 -16.196 31.382 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.010 -14.921 30.425 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.612 -13.965 32.675 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.536 -14.602 33.195 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.191 -15.492 33.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.111 -12.032 32.448 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.434 -12.537 30.882 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.114 -12.950 31.300 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.074 -13.869 35.481 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.405 -13.451 35.025 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.771 -12.547 34.329 1.00 0.00 H new ATOM 799 N LEU A 53 -28.778 -16.442 32.360 1.00 0.00 N ATOM 800 CA LEU A 53 -28.140 -17.587 32.983 1.00 0.00 C ATOM 801 C LEU A 53 -28.153 -17.453 34.490 1.00 0.00 C ATOM 802 O LEU A 53 -28.046 -16.359 35.022 1.00 0.00 O ATOM 803 CB LEU A 53 -26.702 -17.751 32.490 1.00 0.00 C ATOM 804 CG LEU A 53 -26.532 -18.032 31.002 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.061 -18.093 30.649 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.215 -19.335 30.627 1.00 0.00 C ATOM 0 H LEU A 53 -28.200 -15.603 32.312 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.707 -18.474 32.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.150 -16.843 32.733 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.239 -18.565 33.048 1.00 0.00 H new ATOM 0 HG LEU A 53 -26.997 -17.222 30.439 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.951 -18.294 29.583 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.589 -17.140 30.889 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.582 -18.889 31.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.084 -19.521 29.561 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.773 -20.154 31.195 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.279 -19.267 30.855 1.00 0.00 H new ATOM 818 N VAL A 54 -28.328 -18.562 35.172 1.00 0.00 N ATOM 819 CA VAL A 54 -28.307 -18.576 36.622 1.00 0.00 C ATOM 820 C VAL A 54 -27.334 -19.632 37.129 1.00 0.00 C ATOM 821 O VAL A 54 -27.355 -20.781 36.676 1.00 0.00 O ATOM 822 CB VAL A 54 -29.712 -18.843 37.225 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.659 -17.688 36.925 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.285 -20.156 36.705 1.00 0.00 C ATOM 0 H VAL A 54 -28.488 -19.474 34.744 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.982 -17.586 36.944 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.604 -18.923 38.307 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.637 -17.898 37.357 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.261 -16.770 37.357 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.757 -17.569 35.846 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.270 -20.321 37.142 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.372 -20.110 35.619 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.623 -20.977 36.982 1.00 0.00 H new ATOM 834 N GLU A 55 -26.468 -19.246 38.040 1.00 0.00 N ATOM 835 CA GLU A 55 -25.531 -20.192 38.624 1.00 0.00 C ATOM 836 C GLU A 55 -26.171 -20.805 39.856 1.00 0.00 C ATOM 837 O GLU A 55 -26.548 -20.084 40.790 1.00 0.00 O ATOM 838 CB GLU A 55 -24.228 -19.495 39.001 1.00 0.00 C ATOM 839 CG GLU A 55 -23.043 -20.428 39.150 1.00 0.00 C ATOM 840 CD GLU A 55 -22.146 -20.020 40.301 1.00 0.00 C ATOM 841 OE1 GLU A 55 -21.256 -19.166 40.096 1.00 0.00 O ATOM 842 OE2 GLU A 55 -22.347 -20.523 41.429 1.00 0.00 O ATOM 0 H GLU A 55 -26.390 -18.292 38.393 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.297 -20.970 37.897 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.995 -18.749 38.241 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.374 -18.959 39.939 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.400 -21.445 39.310 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.467 -20.434 38.225 1.00 0.00 H new ATOM 849 N VAL A 56 -26.302 -22.113 39.861 1.00 0.00 N ATOM 850 CA VAL A 56 -26.986 -22.802 40.942 1.00 0.00 C ATOM 851 C VAL A 56 -26.086 -23.809 41.631 1.00 0.00 C ATOM 852 O VAL A 56 -25.334 -24.548 40.979 1.00 0.00 O ATOM 853 CB VAL A 56 -28.260 -23.516 40.442 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.846 -24.406 41.533 1.00 0.00 C ATOM 855 CG2 VAL A 56 -29.284 -22.497 39.967 1.00 0.00 C ATOM 0 H VAL A 56 -25.944 -22.726 39.128 1.00 0.00 H new ATOM 0 HA VAL A 56 -27.267 -22.035 41.663 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.991 -24.153 39.599 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.743 -24.899 41.158 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -28.112 -25.159 41.822 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -29.102 -23.798 42.400 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -30.177 -23.015 39.617 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.548 -21.835 40.792 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.862 -21.910 39.151 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.902 -19.138 40.797 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.574 -18.836 41.282 1.00 0.00 C ATOM 1114 C GLY A 73 -29.288 -17.364 41.171 1.00 0.00 C ATOM 1115 O GLY A 73 -30.211 -16.549 41.233 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.481 -19.152 42.321 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.836 -19.399 40.710 1.00 0.00 H new ATOM 1119 N ARG A 74 -28.026 -17.000 40.998 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.687 -15.611 40.840 1.00 0.00 C ATOM 1121 C ARG A 74 -27.881 -15.205 39.389 1.00 0.00 C ATOM 1122 O ARG A 74 -27.405 -15.896 38.486 1.00 0.00 O ATOM 1123 CB ARG A 74 -26.250 -15.324 41.300 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.175 -16.141 40.596 1.00 0.00 C ATOM 1125 CD ARG A 74 -23.789 -15.608 40.920 1.00 0.00 C ATOM 1126 NE ARG A 74 -22.724 -16.423 40.330 1.00 0.00 N ATOM 1127 CZ ARG A 74 -21.831 -15.979 39.437 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -21.906 -14.726 38.971 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -20.879 -16.793 39.009 1.00 0.00 N ATOM 0 H ARG A 74 -27.236 -17.644 40.965 1.00 0.00 H new ATOM 0 HA ARG A 74 -28.349 -15.019 41.472 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -26.040 -14.266 41.147 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -26.183 -15.510 42.372 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -25.248 -17.185 40.901 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.338 -16.112 39.519 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.703 -14.584 40.556 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -23.660 -15.574 42.002 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.658 -17.399 40.620 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.646 -14.104 39.296 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.223 -14.393 38.291 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.830 -17.750 39.360 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.194 -16.464 38.329 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.621 -14.112 39.139 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.869 -13.632 37.781 1.00 0.00 C ATOM 1145 C PRO A 75 -27.580 -13.245 37.071 1.00 0.00 C ATOM 1146 O PRO A 75 -26.851 -12.353 37.515 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.768 -12.399 37.977 1.00 0.00 C ATOM 1148 CG PRO A 75 -30.304 -12.518 39.363 1.00 0.00 C ATOM 1149 CD PRO A 75 -29.271 -13.266 40.152 1.00 0.00 C ATOM 0 HA PRO A 75 -29.326 -14.401 37.158 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.202 -11.476 37.852 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.574 -12.380 37.244 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -30.486 -11.534 39.795 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.256 -13.049 39.367 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -28.561 -12.590 40.628 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.723 -13.862 40.944 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.309 -13.917 35.982 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.124 -13.674 35.202 1.00 0.00 C ATOM 1159 C ILE A 76 -26.502 -13.266 33.790 1.00 0.00 C ATOM 1160 O ILE A 76 -26.884 -14.106 32.963 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.231 -14.935 35.157 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.854 -15.348 36.583 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.981 -14.680 34.319 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.294 -16.739 36.697 1.00 0.00 C ATOM 0 H ILE A 76 -27.909 -14.653 35.609 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.565 -12.866 35.674 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.786 -15.748 34.689 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.121 -14.641 36.972 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.738 -15.272 37.216 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.366 -15.580 34.300 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.272 -14.418 33.302 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.411 -13.860 34.756 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -24.054 -16.950 37.739 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.032 -17.458 36.342 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.390 -16.818 36.093 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.464 -11.962 33.509 1.00 0.00 N ATOM 1177 CA PRO A 77 -26.753 -11.433 32.182 1.00 0.00 C ATOM 1178 C PRO A 77 -25.685 -11.850 31.171 1.00 0.00 C ATOM 1179 O PRO A 77 -24.542 -12.120 31.541 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.736 -9.908 32.392 1.00 0.00 C ATOM 1181 CG PRO A 77 -26.889 -9.737 33.858 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.169 -10.892 34.463 1.00 0.00 C ATOM 0 HA PRO A 77 -27.697 -11.802 31.781 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -25.805 -9.468 32.035 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.547 -9.423 31.848 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -26.464 -8.790 34.190 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -27.940 -9.733 34.146 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.099 -10.706 34.551 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.535 -11.124 35.463 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.046 -11.881 29.880 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.148 -12.317 28.794 1.00 0.00 C ATOM 1192 C PRO A 78 -23.821 -11.553 28.763 1.00 0.00 C ATOM 1193 O PRO A 78 -22.787 -12.099 28.384 1.00 0.00 O ATOM 1194 CB PRO A 78 -25.949 -12.007 27.529 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.368 -11.999 27.961 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.374 -11.496 29.369 1.00 0.00 C ATOM 0 HA PRO A 78 -24.868 -13.364 28.911 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.661 -11.045 27.106 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -25.776 -12.759 26.759 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -27.967 -11.357 27.316 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -27.798 -12.999 27.903 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.521 -10.417 29.409 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.175 -11.949 29.953 1.00 0.00 H new ATOM 1204 N THR A 79 -23.868 -10.301 29.153 1.00 0.00 N ATOM 1205 CA THR A 79 -22.695 -9.435 29.142 1.00 0.00 C ATOM 1206 C THR A 79 -21.585 -9.940 30.090 1.00 0.00 C ATOM 1207 O THR A 79 -20.406 -9.899 29.746 1.00 0.00 O ATOM 1208 CB THR A 79 -23.082 -7.996 29.533 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.270 -7.606 28.831 1.00 0.00 O ATOM 1210 CG2 THR A 79 -21.966 -7.028 29.190 1.00 0.00 C ATOM 0 H THR A 79 -24.717 -9.846 29.488 1.00 0.00 H new ATOM 0 HA THR A 79 -22.303 -9.450 28.125 1.00 0.00 H new ATOM 0 HB THR A 79 -23.258 -7.970 30.608 1.00 0.00 H new ATOM 0 HG1 THR A 79 -24.514 -6.691 29.084 1.00 0.00 H new ATOM 0 HG21 THR A 79 -22.260 -6.018 29.474 1.00 0.00 H new ATOM 0 HG22 THR A 79 -21.062 -7.308 29.731 1.00 0.00 H new ATOM 0 HG23 THR A 79 -21.772 -7.061 28.118 1.00 0.00 H new ATOM 1218 N GLU A 80 -21.966 -10.393 31.276 1.00 0.00 N ATOM 1219 CA GLU A 80 -20.995 -10.838 32.280 1.00 0.00 C ATOM 1220 C GLU A 80 -20.234 -12.090 31.831 1.00 0.00 C ATOM 1221 O GLU A 80 -20.757 -12.908 31.079 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.694 -11.091 33.628 1.00 0.00 C ATOM 1223 CG GLU A 80 -20.749 -11.542 34.732 1.00 0.00 C ATOM 1224 CD GLU A 80 -21.410 -11.628 36.083 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -22.028 -12.661 36.390 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -21.291 -10.654 36.858 1.00 0.00 O ATOM 0 H GLU A 80 -22.940 -10.464 31.572 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.264 -10.039 32.401 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.197 -10.177 33.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.466 -11.848 33.491 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -20.338 -12.518 34.473 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.910 -10.848 34.789 1.00 0.00 H new ATOM 1233 N CYS A 81 -18.982 -12.209 32.279 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.164 -13.389 32.011 1.00 0.00 C ATOM 1235 C CYS A 81 -18.100 -14.242 33.294 1.00 0.00 C ATOM 1236 O CYS A 81 -17.175 -14.097 34.098 1.00 0.00 O ATOM 1237 CB CYS A 81 -16.745 -12.969 31.610 1.00 0.00 C ATOM 1238 SG CYS A 81 -16.668 -11.568 30.471 1.00 0.00 S ATOM 0 H CYS A 81 -18.511 -11.494 32.834 1.00 0.00 H new ATOM 0 HA CYS A 81 -18.605 -13.961 31.195 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.186 -12.718 32.512 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.244 -13.821 31.151 1.00 0.00 H new ATOM 0 HG CYS A 81 -17.654 -11.640 29.627 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.093 -15.127 33.509 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.213 -15.894 34.755 1.00 0.00 C ATOM 1246 C PRO A 82 -18.128 -16.951 34.945 1.00 0.00 C ATOM 1247 O PRO A 82 -17.805 -17.313 36.076 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.586 -16.558 34.635 1.00 0.00 C ATOM 1249 CG PRO A 82 -20.834 -16.658 33.170 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.156 -15.470 32.546 1.00 0.00 C ATOM 0 HA PRO A 82 -19.100 -15.242 35.621 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.592 -17.541 35.105 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.357 -15.965 35.127 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.433 -17.589 32.770 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -21.903 -16.653 32.955 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -19.745 -15.713 31.566 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -20.850 -14.642 32.404 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.545 -17.420 33.850 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.562 -18.495 33.922 1.00 0.00 C ATOM 1260 C LEU A 83 -15.327 -18.088 34.690 1.00 0.00 C ATOM 1261 O LEU A 83 -14.767 -18.897 35.426 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.188 -19.032 32.548 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.326 -19.677 31.770 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.816 -20.392 30.550 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.136 -20.614 32.641 1.00 0.00 C ATOM 0 H LEU A 83 -17.733 -17.077 32.908 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.044 -19.304 34.471 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.782 -18.213 31.954 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.390 -19.765 32.667 1.00 0.00 H new ATOM 0 HG LEU A 83 -17.986 -18.875 31.441 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.653 -20.842 30.016 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.309 -19.682 29.897 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.116 -21.172 30.851 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.939 -21.056 32.051 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.490 -21.404 33.024 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.562 -20.058 33.476 1.00 0.00 H new ATOM 1277 N PHE A 84 -14.898 -16.841 34.524 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.731 -16.358 35.237 1.00 0.00 C ATOM 1279 C PHE A 84 -13.913 -16.477 36.735 1.00 0.00 C ATOM 1280 O PHE A 84 -13.039 -16.974 37.417 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.382 -14.921 34.843 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.545 -14.814 33.599 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -11.161 -14.876 33.675 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -13.133 -14.642 32.366 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -10.386 -14.771 32.535 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -12.364 -14.536 31.224 1.00 0.00 C ATOM 1287 CZ PHE A 84 -10.990 -14.601 31.309 1.00 0.00 C ATOM 0 H PHE A 84 -15.338 -16.157 33.908 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.893 -16.992 34.948 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.306 -14.361 34.696 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.850 -14.448 35.668 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.684 -15.008 34.635 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.209 -14.589 32.291 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.310 -14.822 32.606 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.840 -14.402 30.264 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.388 -14.519 30.416 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.063 -16.059 37.238 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.328 -16.164 38.664 1.00 0.00 C ATOM 1299 C GLU A 85 -15.470 -17.623 39.088 1.00 0.00 C ATOM 1300 O GLU A 85 -14.980 -18.022 40.146 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.581 -15.377 39.051 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.438 -13.874 38.893 1.00 0.00 C ATOM 1303 CD GLU A 85 -17.662 -13.126 39.374 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -17.975 -13.214 40.579 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -18.307 -12.433 38.557 1.00 0.00 O ATOM 0 H GLU A 85 -15.819 -15.649 36.689 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.476 -15.733 39.189 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.416 -15.719 38.439 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.833 -15.601 40.088 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.565 -13.534 39.450 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.259 -13.637 37.844 1.00 0.00 H new ATOM 1312 N MET A 86 -16.128 -18.422 38.248 1.00 0.00 N ATOM 1313 CA MET A 86 -16.348 -19.828 38.560 1.00 0.00 C ATOM 1314 C MET A 86 -15.032 -20.608 38.627 1.00 0.00 C ATOM 1315 O MET A 86 -14.822 -21.404 39.540 1.00 0.00 O ATOM 1316 CB MET A 86 -17.306 -20.492 37.545 1.00 0.00 C ATOM 1317 CG MET A 86 -18.705 -19.886 37.525 1.00 0.00 C ATOM 1318 SD MET A 86 -20.006 -21.101 37.207 1.00 0.00 S ATOM 1319 CE MET A 86 -19.400 -21.922 35.737 1.00 0.00 C ATOM 0 H MET A 86 -16.514 -18.120 37.354 1.00 0.00 H new ATOM 0 HA MET A 86 -16.813 -19.859 39.545 1.00 0.00 H new ATOM 0 HB2 MET A 86 -16.873 -20.414 36.548 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.385 -21.554 37.776 1.00 0.00 H new ATOM 0 HG2 MET A 86 -18.897 -19.400 38.482 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.747 -19.111 36.760 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.200 -21.986 35.000 1.00 0.00 H new ATOM 0 HE2 MET A 86 -18.567 -21.355 35.321 1.00 0.00 H new ATOM 0 HE3 MET A 86 -19.063 -22.926 35.994 1.00 0.00 H new ATOM 1329 N THR A 87 -14.143 -20.346 37.683 1.00 0.00 N ATOM 1330 CA THR A 87 -12.881 -21.072 37.601 1.00 0.00 C ATOM 1331 C THR A 87 -11.806 -20.457 38.516 1.00 0.00 C ATOM 1332 O THR A 87 -10.852 -21.136 38.911 1.00 0.00 O ATOM 1333 CB THR A 87 -12.370 -21.106 36.143 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.468 -21.390 35.263 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.303 -22.182 35.969 1.00 0.00 C ATOM 0 H THR A 87 -14.270 -19.636 36.961 1.00 0.00 H new ATOM 0 HA THR A 87 -13.071 -22.090 37.942 1.00 0.00 H new ATOM 0 HB THR A 87 -11.934 -20.136 35.905 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.022 -20.588 35.162 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.958 -22.188 34.935 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.463 -21.972 36.631 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.725 -23.156 36.216 1.00 0.00 H new ATOM 1495 N PHE A 100 -23.336 -25.609 38.822 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.698 -25.675 37.432 1.00 0.00 C ATOM 1497 C PHE A 100 -24.393 -24.406 37.007 1.00 0.00 C ATOM 1498 O PHE A 100 -24.938 -23.666 37.837 1.00 0.00 O ATOM 1499 CB PHE A 100 -24.573 -26.898 37.119 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.925 -26.888 37.777 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.963 -26.153 37.227 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -26.163 -27.631 38.923 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -28.214 -26.156 37.809 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -27.411 -27.635 39.512 1.00 0.00 C ATOM 1505 CZ PHE A 100 -28.439 -26.897 38.953 1.00 0.00 C ATOM 0 HA PHE A 100 -22.775 -25.783 36.862 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -24.710 -26.963 36.040 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -24.040 -27.797 37.428 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.791 -25.572 36.333 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -25.364 -28.212 39.359 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -29.016 -25.580 37.371 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -27.585 -28.213 40.408 1.00 0.00 H new ATOM 0 HZ PHE A 100 -29.417 -26.900 39.411 1.00 0.00 H new ATOM 1515 N LEU A 101 -24.380 -24.158 35.730 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.975 -22.979 35.183 1.00 0.00 C ATOM 1517 C LEU A 101 -26.201 -23.362 34.365 1.00 0.00 C ATOM 1518 O LEU A 101 -26.134 -24.232 33.491 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.938 -22.250 34.345 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.317 -20.877 33.815 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.727 -19.960 34.952 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -23.133 -20.296 33.099 1.00 0.00 C ATOM 0 H LEU A 101 -23.953 -24.773 35.037 1.00 0.00 H new ATOM 0 HA LEU A 101 -25.305 -22.308 35.976 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -23.033 -22.144 34.944 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.685 -22.883 33.494 1.00 0.00 H new ATOM 0 HG LEU A 101 -25.161 -20.974 33.132 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.995 -18.982 34.552 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.585 -20.386 35.472 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.897 -19.852 35.650 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.390 -19.310 32.712 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.296 -20.208 33.792 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.852 -20.948 32.272 1.00 0.00 H new ATOM 1534 N ALA A 102 -27.315 -22.733 34.665 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.570 -23.070 34.032 1.00 0.00 C ATOM 1536 C ALA A 102 -29.184 -21.888 33.314 1.00 0.00 C ATOM 1537 O ALA A 102 -28.775 -20.741 33.513 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.537 -23.601 35.065 1.00 0.00 C ATOM 0 H ALA A 102 -27.377 -21.979 35.349 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.365 -23.836 33.284 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.482 -23.854 34.583 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -29.118 -24.492 35.532 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.710 -22.840 35.826 1.00 0.00 H new ATOM 1544 N ILE A 103 -30.171 -22.179 32.482 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.883 -21.162 31.741 1.00 0.00 C ATOM 1546 C ILE A 103 -32.271 -20.978 32.331 1.00 0.00 C ATOM 1547 O ILE A 103 -33.051 -21.929 32.417 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.045 -21.552 30.252 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.685 -21.830 29.611 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.771 -20.446 29.490 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -29.784 -22.345 28.191 1.00 0.00 C ATOM 0 H ILE A 103 -30.498 -23.129 32.304 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.303 -20.242 31.809 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.640 -22.464 30.202 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.095 -20.914 29.617 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.148 -22.559 30.218 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -31.878 -20.734 28.444 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.758 -20.291 29.926 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.196 -19.522 29.555 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -28.783 -22.521 27.797 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.347 -23.278 28.181 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.293 -21.607 27.571 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.572 -19.769 32.731 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.860 -19.433 33.263 1.00 0.00 C ATOM 1565 C LYS A 104 -34.380 -18.192 32.627 1.00 0.00 C ATOM 1566 O LYS A 104 -33.641 -17.473 31.952 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.810 -19.235 34.727 1.00 0.00 C ATOM 1568 CG LYS A 104 -33.847 -20.519 35.503 1.00 0.00 C ATOM 1569 CD LYS A 104 -33.846 -20.222 36.955 1.00 0.00 C ATOM 1570 CE LYS A 104 -35.060 -19.393 37.339 1.00 0.00 C ATOM 1571 NZ LYS A 104 -36.334 -20.103 37.083 1.00 0.00 N ATOM 0 H LYS A 104 -31.920 -18.985 32.695 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.524 -20.269 33.044 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.900 -18.691 34.982 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -34.650 -18.611 35.031 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -34.737 -21.090 35.239 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -32.985 -21.135 35.247 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -33.843 -21.154 37.521 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -32.935 -19.685 37.220 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -34.999 -19.132 38.396 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -35.050 -18.458 36.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -37.128 -19.524 37.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -36.440 -20.269 36.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -36.330 -21.015 37.584 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.638 -17.925 32.829 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.220 -16.725 32.293 1.00 0.00 C ATOM 1587 C ARG A 105 -35.770 -15.541 33.116 1.00 0.00 C ATOM 1588 O ARG A 105 -35.638 -15.643 34.344 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.745 -16.790 32.286 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.332 -17.915 31.460 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.841 -17.786 31.388 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.214 -16.572 30.668 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.281 -15.819 30.921 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.165 -16.179 31.845 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.469 -14.708 30.226 1.00 0.00 N ATOM 0 H ARG A 105 -36.279 -18.517 33.358 1.00 0.00 H new ATOM 0 HA ARG A 105 -35.885 -16.619 31.261 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.094 -16.893 33.313 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.133 -15.843 31.911 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.911 -17.895 30.455 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -38.063 -18.876 31.899 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -40.263 -18.657 30.888 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -40.259 -17.762 32.394 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.604 -16.276 29.906 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -42.030 -17.042 32.371 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -42.979 -15.592 32.029 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -40.799 -14.438 29.506 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.283 -14.122 30.411 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.505 -14.435 32.454 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.138 -13.208 33.146 1.00 0.00 C ATOM 1611 C LYS A 106 -36.278 -12.765 34.075 1.00 0.00 C ATOM 1612 O LYS A 106 -37.421 -13.204 33.905 1.00 0.00 O ATOM 1613 CB LYS A 106 -34.816 -12.104 32.136 1.00 0.00 C ATOM 1614 CG LYS A 106 -35.948 -11.788 31.174 1.00 0.00 C ATOM 1615 CD LYS A 106 -35.621 -10.577 30.310 1.00 0.00 C ATOM 1616 CE LYS A 106 -34.276 -10.730 29.617 1.00 0.00 C ATOM 1617 NZ LYS A 106 -34.027 -9.642 28.643 1.00 0.00 N ATOM 0 H LYS A 106 -35.536 -14.356 31.438 1.00 0.00 H new ATOM 0 HA LYS A 106 -34.249 -13.397 33.748 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -34.552 -11.196 32.679 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -33.938 -12.398 31.561 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -36.137 -12.651 30.536 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -36.863 -11.600 31.736 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -36.403 -10.441 29.563 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -35.612 -9.680 30.929 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -33.482 -10.737 30.364 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -34.240 -11.691 29.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -33.004 -9.544 28.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -34.495 -9.868 27.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -34.407 -8.749 29.016 1.00 0.00 H new