USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl -154:sc= -0.144 (180deg=-0.783) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= -0.0184 (180deg=-0.12) USER MOD Single : A 14 CYS SG : rot -110:sc= -1.21! USER MOD Single : A 15 CYS SG : rot -50:sc= -6.4! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.2) USER MOD Single : A 34 CYS SG : rot -25:sc= -7.51! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -2.91 K(o=-2.9,f=-6.6!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 CYS SG : rot -78:sc= -1.79 USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.553 USER MOD Single : A 88 SER OG : rot 84:sc= 1.08 USER MOD Single : A 92 TYR OH : rot -5:sc= 0.0473 USER MOD Single : A 93 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.55) USER MOD Single : A 94 CYS SG : rot 53:sc= -0.283 USER MOD Single : A 95 GLN : amide:sc= -1.02 K(o=-1,f=-2.9!) USER MOD Single : A 99 THR OG1 : rot -169:sc= -2.3 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -12.231 -16.644 -6.404 1.00 0.00 N ATOM 75 CA LYS A 6 -11.364 -15.509 -6.102 1.00 0.00 C ATOM 76 C LYS A 6 -9.925 -15.808 -6.517 1.00 0.00 C ATOM 77 O LYS A 6 -9.520 -16.968 -6.592 1.00 0.00 O ATOM 78 CB LYS A 6 -11.420 -15.165 -4.608 1.00 0.00 C ATOM 79 CG LYS A 6 -12.798 -15.330 -3.983 1.00 0.00 C ATOM 80 CD LYS A 6 -13.621 -14.058 -4.109 1.00 0.00 C ATOM 81 CE LYS A 6 -14.733 -14.007 -3.074 1.00 0.00 C ATOM 82 NZ LYS A 6 -14.375 -13.144 -1.916 1.00 0.00 N ATOM 0 HA LYS A 6 -11.722 -14.650 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.712 -15.799 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.092 -14.135 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.322 -16.154 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.693 -15.594 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.972 -13.191 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.051 -13.999 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.644 -13.631 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.948 -15.016 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.201 -13.040 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.593 -13.580 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.080 -12.207 -2.259 1.00 0.00 H new ATOM 96 N ILE A 7 -9.158 -14.756 -6.794 1.00 0.00 N ATOM 97 CA ILE A 7 -7.767 -14.913 -7.209 1.00 0.00 C ATOM 98 C ILE A 7 -6.797 -14.628 -6.066 1.00 0.00 C ATOM 99 O ILE A 7 -5.646 -15.063 -6.098 1.00 0.00 O ATOM 100 CB ILE A 7 -7.421 -13.988 -8.389 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.820 -12.543 -8.075 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.104 -14.472 -9.659 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.673 -11.563 -8.191 1.00 0.00 C ATOM 0 H ILE A 7 -9.476 -13.788 -6.739 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.660 -15.953 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.343 -14.016 -8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.618 -12.239 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.226 -12.498 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.850 -13.808 -10.485 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.768 -15.483 -9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.184 -14.473 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.027 -10.559 -7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.883 -11.843 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.281 -11.580 -9.208 1.00 0.00 H new ATOM 115 N PHE A 8 -7.262 -13.897 -5.060 1.00 0.00 N ATOM 116 CA PHE A 8 -6.425 -13.560 -3.916 1.00 0.00 C ATOM 117 C PHE A 8 -6.615 -14.581 -2.797 1.00 0.00 C ATOM 118 O PHE A 8 -5.644 -15.090 -2.237 1.00 0.00 O ATOM 119 CB PHE A 8 -6.756 -12.154 -3.408 1.00 0.00 C ATOM 120 CG PHE A 8 -6.343 -11.041 -4.338 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.246 -11.176 -5.175 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.057 -9.851 -4.367 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.871 -10.148 -6.022 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.686 -8.823 -5.210 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.593 -8.970 -6.039 1.00 0.00 C ATOM 0 H PHE A 8 -8.212 -13.527 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.383 -13.581 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.830 -12.087 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.269 -12.005 -2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.678 -12.094 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.914 -9.728 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.015 -10.266 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.252 -7.903 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.302 -8.166 -6.700 1.00 0.00 H new ATOM 135 N ARG A 9 -7.875 -14.880 -2.483 1.00 0.00 N ATOM 136 CA ARG A 9 -8.208 -15.847 -1.438 1.00 0.00 C ATOM 137 C ARG A 9 -7.326 -15.667 -0.206 1.00 0.00 C ATOM 138 O ARG A 9 -6.274 -16.295 -0.086 1.00 0.00 O ATOM 139 CB ARG A 9 -8.072 -17.274 -1.974 1.00 0.00 C ATOM 140 CG ARG A 9 -8.568 -18.338 -1.007 1.00 0.00 C ATOM 141 CD ARG A 9 -7.418 -19.109 -0.377 1.00 0.00 C ATOM 142 NE ARG A 9 -7.499 -20.540 -0.657 1.00 0.00 N ATOM 143 CZ ARG A 9 -8.476 -21.328 -0.215 1.00 0.00 C ATOM 144 NH1 ARG A 9 -9.455 -20.829 0.530 1.00 0.00 N ATOM 145 NH2 ARG A 9 -8.475 -22.620 -0.516 1.00 0.00 N ATOM 0 H ARG A 9 -8.686 -14.464 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.242 -15.670 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.628 -17.357 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.025 -17.467 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.163 -17.868 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.224 -19.031 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.472 -18.719 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.423 -18.950 0.701 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.763 -20.960 -1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.461 -19.837 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.201 -21.438 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.725 -23.010 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.224 -23.223 -0.177 1.00 0.00 H new ATOM 159 N GLY A 10 -7.759 -14.801 0.704 1.00 0.00 N ATOM 160 CA GLY A 10 -6.994 -14.551 1.912 1.00 0.00 C ATOM 161 C GLY A 10 -5.897 -13.532 1.690 1.00 0.00 C ATOM 162 O GLY A 10 -4.716 -13.876 1.639 1.00 0.00 O ATOM 0 H GLY A 10 -8.625 -14.268 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.662 -14.198 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.555 -15.485 2.263 1.00 0.00 H new ATOM 166 N LEU A 11 -6.294 -12.276 1.547 1.00 0.00 N ATOM 167 CA LEU A 11 -5.345 -11.195 1.317 1.00 0.00 C ATOM 168 C LEU A 11 -5.792 -9.916 2.016 1.00 0.00 C ATOM 169 O LEU A 11 -6.956 -9.773 2.387 1.00 0.00 O ATOM 170 CB LEU A 11 -5.198 -10.945 -0.185 1.00 0.00 C ATOM 171 CG LEU A 11 -3.784 -11.117 -0.740 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.825 -11.751 -2.121 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.070 -9.778 -0.792 1.00 0.00 C ATOM 0 H LEU A 11 -7.269 -11.979 1.586 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.381 -11.491 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.864 -11.624 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.535 -9.932 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.231 -11.780 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.809 -11.865 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.301 -12.730 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.394 -11.113 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.065 -9.917 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.624 -9.095 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.009 -9.359 0.212 1.00 0.00 H new ATOM 185 N GLU A 12 -4.859 -8.987 2.186 1.00 0.00 N ATOM 186 CA GLU A 12 -5.152 -7.715 2.831 1.00 0.00 C ATOM 187 C GLU A 12 -4.461 -6.578 2.088 1.00 0.00 C ATOM 188 O GLU A 12 -3.239 -6.460 2.119 1.00 0.00 O ATOM 189 CB GLU A 12 -4.703 -7.746 4.292 1.00 0.00 C ATOM 190 CG GLU A 12 -5.717 -8.395 5.220 1.00 0.00 C ATOM 191 CD GLU A 12 -5.890 -7.633 6.519 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.866 -7.261 7.131 1.00 0.00 O ATOM 193 OE2 GLU A 12 -7.049 -7.407 6.925 1.00 0.00 O ATOM 0 H GLU A 12 -3.890 -9.092 1.885 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.229 -7.547 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.759 -8.286 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.514 -6.727 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.679 -8.462 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.402 -9.415 5.441 1.00 0.00 H new ATOM 200 N ILE A 13 -5.250 -5.750 1.410 1.00 0.00 N ATOM 201 CA ILE A 13 -4.703 -4.633 0.647 1.00 0.00 C ATOM 202 C ILE A 13 -5.350 -3.312 1.046 1.00 0.00 C ATOM 203 O ILE A 13 -6.555 -3.245 1.289 1.00 0.00 O ATOM 204 CB ILE A 13 -4.898 -4.845 -0.866 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.432 -6.245 -1.276 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.149 -3.782 -1.654 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.445 -6.995 -2.112 1.00 0.00 C ATOM 0 H ILE A 13 -6.266 -5.831 1.373 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.638 -4.591 0.874 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.961 -4.756 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.501 -6.160 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.212 -6.824 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.298 -3.947 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.526 -2.796 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.085 -3.840 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.050 -7.978 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.369 -7.111 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.647 -6.437 -3.026 1.00 0.00 H new ATOM 219 N CYS A 14 -4.539 -2.259 1.104 1.00 0.00 N ATOM 220 CA CYS A 14 -5.031 -0.936 1.468 1.00 0.00 C ATOM 221 C CYS A 14 -4.649 0.099 0.417 1.00 0.00 C ATOM 222 O CYS A 14 -3.596 0.003 -0.214 1.00 0.00 O ATOM 223 CB CYS A 14 -4.479 -0.516 2.830 1.00 0.00 C ATOM 224 SG CYS A 14 -2.682 -0.337 2.875 1.00 0.00 S ATOM 0 H CYS A 14 -3.540 -2.297 0.904 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.118 -0.989 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.935 0.431 3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.779 -1.254 3.574 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.168 -1.298 3.583 1.00 0.00 H new ATOM 230 N CYS A 15 -5.513 1.091 0.240 1.00 0.00 N ATOM 231 CA CYS A 15 -5.274 2.153 -0.727 1.00 0.00 C ATOM 232 C CYS A 15 -4.874 3.442 -0.020 1.00 0.00 C ATOM 233 O CYS A 15 -5.671 4.036 0.706 1.00 0.00 O ATOM 234 CB CYS A 15 -6.525 2.386 -1.576 1.00 0.00 C ATOM 235 SG CYS A 15 -7.278 0.869 -2.208 1.00 0.00 S ATOM 0 H CYS A 15 -6.388 1.181 0.756 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.456 1.847 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -7.262 2.924 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.266 3.029 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.367 0.136 -2.776 1.00 0.00 H new ATOM 241 N TYR A 16 -3.631 3.866 -0.227 1.00 0.00 N ATOM 242 CA TYR A 16 -3.128 5.083 0.400 1.00 0.00 C ATOM 243 C TYR A 16 -3.304 6.288 -0.518 1.00 0.00 C ATOM 244 O TYR A 16 -2.772 6.321 -1.627 1.00 0.00 O ATOM 245 CB TYR A 16 -1.652 4.917 0.768 1.00 0.00 C ATOM 246 CG TYR A 16 -1.314 5.407 2.158 1.00 0.00 C ATOM 247 CD1 TYR A 16 -1.147 6.761 2.416 1.00 0.00 C ATOM 248 CD2 TYR A 16 -1.161 4.515 3.212 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.839 7.213 3.686 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.853 4.958 4.484 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.693 6.308 4.715 1.00 0.00 C ATOM 252 OH TYR A 16 -0.387 6.753 5.981 1.00 0.00 O ATOM 0 H TYR A 16 -2.956 3.386 -0.822 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.706 5.258 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.383 3.864 0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.043 5.458 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.259 7.473 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.285 3.457 3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.714 8.270 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.738 4.251 5.292 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.320 5.988 6.590 1.00 0.00 H new ATOM 262 N GLY A 17 -4.058 7.276 -0.045 1.00 0.00 N ATOM 263 CA GLY A 17 -4.295 8.472 -0.833 1.00 0.00 C ATOM 264 C GLY A 17 -5.481 8.328 -1.768 1.00 0.00 C ATOM 265 O GLY A 17 -5.997 7.226 -1.953 1.00 0.00 O ATOM 0 H GLY A 17 -4.509 7.270 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.464 9.316 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.403 8.701 -1.416 1.00 0.00 H new ATOM 269 N PRO A 18 -5.941 9.435 -2.377 1.00 0.00 N ATOM 270 CA PRO A 18 -7.077 9.419 -3.299 1.00 0.00 C ATOM 271 C PRO A 18 -6.685 8.988 -4.712 1.00 0.00 C ATOM 272 O PRO A 18 -7.524 8.946 -5.611 1.00 0.00 O ATOM 273 CB PRO A 18 -7.531 10.876 -3.295 1.00 0.00 C ATOM 274 CG PRO A 18 -6.277 11.653 -3.076 1.00 0.00 C ATOM 275 CD PRO A 18 -5.390 10.795 -2.209 1.00 0.00 C ATOM 0 HA PRO A 18 -7.844 8.706 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.007 11.147 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.258 11.064 -2.505 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.790 11.880 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.490 12.606 -2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.349 10.847 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.421 11.113 -1.167 1.00 0.00 H new ATOM 283 N PHE A 19 -5.407 8.670 -4.901 1.00 0.00 N ATOM 284 CA PHE A 19 -4.906 8.245 -6.205 1.00 0.00 C ATOM 285 C PHE A 19 -5.055 9.357 -7.238 1.00 0.00 C ATOM 286 O PHE A 19 -4.102 10.086 -7.519 1.00 0.00 O ATOM 287 CB PHE A 19 -5.632 6.980 -6.670 1.00 0.00 C ATOM 288 CG PHE A 19 -5.223 5.748 -5.915 1.00 0.00 C ATOM 289 CD1 PHE A 19 -5.351 5.695 -4.537 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.707 4.646 -6.578 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.973 4.568 -3.833 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.326 3.516 -5.880 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.460 3.477 -4.506 1.00 0.00 C ATOM 0 H PHE A 19 -4.699 8.699 -4.167 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.844 8.020 -6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.707 7.125 -6.560 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.438 6.828 -7.732 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.752 6.546 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.601 4.671 -7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.079 4.540 -2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.924 2.664 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.164 2.594 -3.959 1.00 0.00 H new ATOM 376 N ASP A 25 -12.751 3.842 -2.212 1.00 0.00 N ATOM 377 CA ASP A 25 -13.660 2.767 -1.831 1.00 0.00 C ATOM 378 C ASP A 25 -13.885 1.832 -3.007 1.00 0.00 C ATOM 379 O ASP A 25 -14.132 0.639 -2.834 1.00 0.00 O ATOM 380 CB ASP A 25 -14.994 3.340 -1.351 1.00 0.00 C ATOM 381 CG ASP A 25 -14.846 4.184 -0.100 1.00 0.00 C ATOM 382 OD1 ASP A 25 -14.187 5.242 -0.173 1.00 0.00 O ATOM 383 OD2 ASP A 25 -15.391 3.787 0.952 1.00 0.00 O ATOM 0 HA ASP A 25 -13.210 2.204 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.432 3.945 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.687 2.522 -1.154 1.00 0.00 H new ATOM 388 N GLN A 26 -13.787 2.390 -4.207 1.00 0.00 N ATOM 389 CA GLN A 26 -13.965 1.624 -5.427 1.00 0.00 C ATOM 390 C GLN A 26 -12.776 0.698 -5.650 1.00 0.00 C ATOM 391 O GLN A 26 -12.921 -0.395 -6.199 1.00 0.00 O ATOM 392 CB GLN A 26 -14.129 2.574 -6.612 1.00 0.00 C ATOM 393 CG GLN A 26 -15.193 2.134 -7.602 1.00 0.00 C ATOM 394 CD GLN A 26 -15.124 2.897 -8.910 1.00 0.00 C ATOM 395 OE1 GLN A 26 -15.266 4.119 -8.938 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.904 2.177 -10.004 1.00 0.00 N ATOM 0 H GLN A 26 -13.584 3.378 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.863 1.013 -5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.380 3.567 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.175 2.661 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.080 1.068 -7.801 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.178 2.273 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.792 1.166 -9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.847 2.635 -10.913 1.00 0.00 H new ATOM 405 N LEU A 27 -11.603 1.142 -5.213 1.00 0.00 N ATOM 406 CA LEU A 27 -10.388 0.351 -5.354 1.00 0.00 C ATOM 407 C LEU A 27 -10.422 -0.845 -4.412 1.00 0.00 C ATOM 408 O LEU A 27 -10.196 -1.982 -4.829 1.00 0.00 O ATOM 409 CB LEU A 27 -9.155 1.211 -5.071 1.00 0.00 C ATOM 410 CG LEU A 27 -7.815 0.562 -5.422 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.836 0.025 -6.845 1.00 0.00 C ATOM 412 CD2 LEU A 27 -6.678 1.558 -5.244 1.00 0.00 C ATOM 0 H LEU A 27 -11.468 2.045 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.331 -0.013 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.246 2.143 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.148 1.472 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.650 -0.275 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.874 -0.433 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.625 -0.721 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.024 0.843 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.732 1.080 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.839 2.415 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.648 1.894 -4.208 1.00 0.00 H new ATOM 424 N GLU A 28 -10.716 -0.586 -3.140 1.00 0.00 N ATOM 425 CA GLU A 28 -10.790 -1.653 -2.148 1.00 0.00 C ATOM 426 C GLU A 28 -11.855 -2.674 -2.538 1.00 0.00 C ATOM 427 O GLU A 28 -11.767 -3.848 -2.182 1.00 0.00 O ATOM 428 CB GLU A 28 -11.090 -1.091 -0.760 1.00 0.00 C ATOM 429 CG GLU A 28 -10.050 -0.104 -0.260 1.00 0.00 C ATOM 430 CD GLU A 28 -9.905 -0.124 1.249 1.00 0.00 C ATOM 431 OE1 GLU A 28 -10.934 0.003 1.946 1.00 0.00 O ATOM 432 OE2 GLU A 28 -8.762 -0.265 1.735 1.00 0.00 O ATOM 0 H GLU A 28 -10.906 0.347 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.819 -2.148 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.063 -0.600 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.164 -1.917 -0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.087 -0.334 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.324 0.901 -0.582 1.00 0.00 H new ATOM 439 N TRP A 29 -12.860 -2.224 -3.277 1.00 0.00 N ATOM 440 CA TRP A 29 -13.924 -3.112 -3.719 1.00 0.00 C ATOM 441 C TRP A 29 -13.356 -4.159 -4.668 1.00 0.00 C ATOM 442 O TRP A 29 -13.584 -5.359 -4.506 1.00 0.00 O ATOM 443 CB TRP A 29 -15.031 -2.309 -4.414 1.00 0.00 C ATOM 444 CG TRP A 29 -15.878 -3.128 -5.339 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.728 -4.133 -4.989 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.948 -3.020 -6.766 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.333 -4.654 -6.108 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.870 -3.987 -7.211 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.325 -2.198 -7.710 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.182 -4.152 -8.559 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.636 -2.364 -9.046 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.558 -3.334 -9.460 1.00 0.00 C ATOM 0 H TRP A 29 -12.960 -1.255 -3.581 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.354 -3.613 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.670 -1.856 -3.656 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.577 -1.493 -4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -16.902 -4.472 -3.978 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.015 -5.413 -6.116 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.613 -1.447 -7.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.892 -4.900 -8.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.160 -1.735 -9.784 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.780 -3.438 -10.512 1.00 0.00 H new ATOM 463 N MET A 30 -12.613 -3.684 -5.656 1.00 0.00 N ATOM 464 CA MET A 30 -11.992 -4.554 -6.647 1.00 0.00 C ATOM 465 C MET A 30 -11.207 -5.677 -5.976 1.00 0.00 C ATOM 466 O MET A 30 -11.394 -6.851 -6.297 1.00 0.00 O ATOM 467 CB MET A 30 -11.072 -3.741 -7.557 1.00 0.00 C ATOM 468 CG MET A 30 -11.777 -2.601 -8.275 1.00 0.00 C ATOM 469 SD MET A 30 -10.655 -1.262 -8.723 1.00 0.00 S ATOM 470 CE MET A 30 -11.631 -0.399 -9.952 1.00 0.00 C ATOM 0 H MET A 30 -12.423 -2.691 -5.794 1.00 0.00 H new ATOM 0 HA MET A 30 -12.783 -5.004 -7.247 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.254 -3.334 -6.962 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.628 -4.406 -8.298 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.256 -2.985 -9.176 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.568 -2.208 -7.636 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.070 0.458 -10.326 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.856 -1.074 -10.778 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.562 -0.055 -9.501 1.00 0.00 H new ATOM 480 N VAL A 31 -10.331 -5.319 -5.037 1.00 0.00 N ATOM 481 CA VAL A 31 -9.534 -6.315 -4.331 1.00 0.00 C ATOM 482 C VAL A 31 -10.437 -7.304 -3.603 1.00 0.00 C ATOM 483 O VAL A 31 -10.234 -8.515 -3.673 1.00 0.00 O ATOM 484 CB VAL A 31 -8.557 -5.679 -3.320 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.517 -4.833 -4.036 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.293 -4.841 -2.293 1.00 0.00 C ATOM 0 H VAL A 31 -10.158 -4.355 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.945 -6.835 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.051 -6.491 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.839 -4.394 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.951 -5.459 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.014 -4.038 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.576 -4.407 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.837 -4.043 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.996 -5.470 -1.746 1.00 0.00 H new ATOM 496 N GLN A 32 -11.444 -6.775 -2.914 1.00 0.00 N ATOM 497 CA GLN A 32 -12.391 -7.612 -2.184 1.00 0.00 C ATOM 498 C GLN A 32 -13.073 -8.584 -3.139 1.00 0.00 C ATOM 499 O GLN A 32 -13.373 -9.723 -2.781 1.00 0.00 O ATOM 500 CB GLN A 32 -13.435 -6.742 -1.478 1.00 0.00 C ATOM 501 CG GLN A 32 -13.476 -6.944 0.028 1.00 0.00 C ATOM 502 CD GLN A 32 -13.899 -8.348 0.416 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.574 -9.039 -0.347 1.00 0.00 O ATOM 504 NE2 GLN A 32 -13.502 -8.777 1.608 1.00 0.00 N ATOM 0 H GLN A 32 -11.625 -5.774 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.847 -8.182 -1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.226 -5.694 -1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.419 -6.961 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.491 -6.737 0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.167 -6.225 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.943 -8.170 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.756 -9.713 1.923 1.00 0.00 H new ATOM 513 N LEU A 33 -13.298 -8.121 -4.363 1.00 0.00 N ATOM 514 CA LEU A 33 -13.927 -8.933 -5.396 1.00 0.00 C ATOM 515 C LEU A 33 -12.989 -10.048 -5.855 1.00 0.00 C ATOM 516 O LEU A 33 -13.428 -11.048 -6.425 1.00 0.00 O ATOM 517 CB LEU A 33 -14.323 -8.058 -6.587 1.00 0.00 C ATOM 518 CG LEU A 33 -15.251 -8.724 -7.603 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.467 -9.317 -6.909 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.679 -7.724 -8.667 1.00 0.00 C ATOM 0 H LEU A 33 -13.051 -7.179 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.823 -9.388 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.809 -7.158 -6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.416 -7.740 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.705 -9.533 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.115 -9.786 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.144 -10.064 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.015 -8.526 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.339 -8.214 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.206 -6.895 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.798 -7.346 -9.186 1.00 0.00 H new ATOM 532 N CYS A 34 -11.693 -9.860 -5.615 1.00 0.00 N ATOM 533 CA CYS A 34 -10.686 -10.837 -6.015 1.00 0.00 C ATOM 534 C CYS A 34 -10.379 -11.824 -4.887 1.00 0.00 C ATOM 535 O CYS A 34 -9.598 -12.757 -5.072 1.00 0.00 O ATOM 536 CB CYS A 34 -9.402 -10.122 -6.441 1.00 0.00 C ATOM 537 SG CYS A 34 -9.330 -9.723 -8.203 1.00 0.00 S ATOM 0 H CYS A 34 -11.316 -9.037 -5.144 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.087 -11.402 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.304 -9.201 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.548 -10.749 -6.186 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.090 -10.544 -8.865 1.00 0.00 H new ATOM 543 N GLY A 35 -10.996 -11.621 -3.723 1.00 0.00 N ATOM 544 CA GLY A 35 -10.771 -12.515 -2.599 1.00 0.00 C ATOM 545 C GLY A 35 -10.042 -11.847 -1.447 1.00 0.00 C ATOM 546 O GLY A 35 -10.106 -12.317 -0.311 1.00 0.00 O ATOM 0 H GLY A 35 -11.645 -10.856 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.730 -12.893 -2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.194 -13.376 -2.936 1.00 0.00 H new ATOM 550 N ALA A 36 -9.346 -10.754 -1.739 1.00 0.00 N ATOM 551 CA ALA A 36 -8.602 -10.027 -0.718 1.00 0.00 C ATOM 552 C ALA A 36 -9.539 -9.311 0.245 1.00 0.00 C ATOM 553 O ALA A 36 -10.755 -9.301 0.055 1.00 0.00 O ATOM 554 CB ALA A 36 -7.652 -9.032 -1.367 1.00 0.00 C ATOM 0 H ALA A 36 -9.282 -10.352 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.022 -10.751 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.103 -8.496 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.949 -9.565 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.222 -8.322 -1.965 1.00 0.00 H new ATOM 560 N SER A 37 -8.963 -8.710 1.279 1.00 0.00 N ATOM 561 CA SER A 37 -9.738 -7.983 2.275 1.00 0.00 C ATOM 562 C SER A 37 -9.289 -6.528 2.337 1.00 0.00 C ATOM 563 O SER A 37 -8.092 -6.239 2.335 1.00 0.00 O ATOM 564 CB SER A 37 -9.588 -8.640 3.650 1.00 0.00 C ATOM 565 OG SER A 37 -10.844 -9.055 4.158 1.00 0.00 O ATOM 0 H SER A 37 -7.957 -8.712 1.449 1.00 0.00 H new ATOM 0 HA SER A 37 -10.788 -8.013 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.921 -9.499 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.126 -7.937 4.344 1.00 0.00 H new ATOM 0 HG SER A 37 -10.720 -9.473 5.036 1.00 0.00 H new ATOM 571 N VAL A 38 -10.251 -5.615 2.384 1.00 0.00 N ATOM 572 CA VAL A 38 -9.941 -4.193 2.439 1.00 0.00 C ATOM 573 C VAL A 38 -9.375 -3.809 3.805 1.00 0.00 C ATOM 574 O VAL A 38 -10.000 -4.050 4.837 1.00 0.00 O ATOM 575 CB VAL A 38 -11.183 -3.326 2.115 1.00 0.00 C ATOM 576 CG1 VAL A 38 -11.979 -3.940 0.973 1.00 0.00 C ATOM 577 CG2 VAL A 38 -12.068 -3.139 3.340 1.00 0.00 C ATOM 0 H VAL A 38 -11.248 -5.833 2.385 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.184 -3.999 1.679 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.829 -2.342 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.848 -3.317 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.351 -4.004 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.310 -4.939 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.930 -2.526 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.409 -4.112 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.499 -2.645 4.128 1.00 0.00 H new ATOM 587 N VAL A 39 -8.183 -3.222 3.801 1.00 0.00 N ATOM 588 CA VAL A 39 -7.529 -2.817 5.038 1.00 0.00 C ATOM 589 C VAL A 39 -7.647 -1.311 5.251 1.00 0.00 C ATOM 590 O VAL A 39 -7.230 -0.520 4.405 1.00 0.00 O ATOM 591 CB VAL A 39 -6.043 -3.221 5.037 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.433 -3.039 6.415 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.879 -4.657 4.563 1.00 0.00 C ATOM 0 H VAL A 39 -7.651 -3.017 2.955 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.034 -3.331 5.856 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.514 -2.568 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.383 -3.331 6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.512 -1.993 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.965 -3.662 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.822 -4.924 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.426 -5.325 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.271 -4.753 3.551 1.00 0.00 H new ATOM 603 N LYS A 40 -8.229 -0.925 6.382 1.00 0.00 N ATOM 604 CA LYS A 40 -8.418 0.486 6.705 1.00 0.00 C ATOM 605 C LYS A 40 -7.092 1.239 6.726 1.00 0.00 C ATOM 606 O LYS A 40 -6.963 2.302 6.119 1.00 0.00 O ATOM 607 CB LYS A 40 -9.120 0.629 8.057 1.00 0.00 C ATOM 608 CG LYS A 40 -10.184 1.714 8.077 1.00 0.00 C ATOM 609 CD LYS A 40 -10.840 1.827 9.444 1.00 0.00 C ATOM 610 CE LYS A 40 -12.156 1.067 9.494 1.00 0.00 C ATOM 611 NZ LYS A 40 -12.013 -0.254 10.167 1.00 0.00 N ATOM 0 H LYS A 40 -8.578 -1.570 7.091 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.041 0.924 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.579 -0.324 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.375 0.847 8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.735 2.670 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.942 1.495 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.165 1.438 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.016 2.877 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.899 1.664 10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.528 0.919 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.933 -0.739 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.323 -0.835 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.683 -0.112 11.143 1.00 0.00 H new ATOM 625 N GLU A 41 -6.115 0.689 7.433 1.00 0.00 N ATOM 626 CA GLU A 41 -4.804 1.320 7.537 1.00 0.00 C ATOM 627 C GLU A 41 -3.683 0.287 7.473 1.00 0.00 C ATOM 628 O GLU A 41 -3.935 -0.915 7.393 1.00 0.00 O ATOM 629 CB GLU A 41 -4.703 2.118 8.839 1.00 0.00 C ATOM 630 CG GLU A 41 -5.509 3.406 8.828 1.00 0.00 C ATOM 631 CD GLU A 41 -4.660 4.621 8.506 1.00 0.00 C ATOM 632 OE1 GLU A 41 -4.275 4.780 7.328 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.383 5.413 9.430 1.00 0.00 O ATOM 0 H GLU A 41 -6.203 -0.190 7.942 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.691 1.996 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.043 1.494 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.656 2.356 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.311 3.323 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.980 3.544 9.801 1.00 0.00 H new ATOM 640 N LEU A 42 -2.445 0.769 7.512 1.00 0.00 N ATOM 641 CA LEU A 42 -1.280 -0.106 7.461 1.00 0.00 C ATOM 642 C LEU A 42 -1.185 -0.955 8.724 1.00 0.00 C ATOM 643 O LEU A 42 -0.996 -2.170 8.655 1.00 0.00 O ATOM 644 CB LEU A 42 -0.003 0.721 7.289 1.00 0.00 C ATOM 645 CG LEU A 42 -0.057 1.780 6.183 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.071 2.786 6.351 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.011 1.122 4.813 1.00 0.00 C ATOM 0 H LEU A 42 -2.223 1.762 7.579 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.391 -0.771 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.220 1.216 8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.825 0.043 7.081 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.005 2.313 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.016 3.530 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.977 3.280 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.030 2.270 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.029 1.888 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.943 0.564 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.832 0.442 4.694 1.00 0.00 H new ATOM 659 N SER A 43 -1.318 -0.310 9.876 1.00 0.00 N ATOM 660 CA SER A 43 -1.248 -1.008 11.155 1.00 0.00 C ATOM 661 C SER A 43 -2.320 -2.090 11.251 1.00 0.00 C ATOM 662 O SER A 43 -2.203 -3.023 12.045 1.00 0.00 O ATOM 663 CB SER A 43 -1.404 -0.017 12.310 1.00 0.00 C ATOM 664 OG SER A 43 -0.219 0.738 12.498 1.00 0.00 O ATOM 0 H SER A 43 -1.475 0.695 9.952 1.00 0.00 H new ATOM 0 HA SER A 43 -0.271 -1.486 11.223 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.238 0.654 12.107 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.644 -0.556 13.226 1.00 0.00 H new ATOM 0 HG SER A 43 -0.345 1.365 13.241 1.00 0.00 H new ATOM 670 N SER A 44 -3.368 -1.960 10.441 1.00 0.00 N ATOM 671 CA SER A 44 -4.458 -2.929 10.441 1.00 0.00 C ATOM 672 C SER A 44 -3.984 -4.294 9.947 1.00 0.00 C ATOM 673 O SER A 44 -4.615 -5.315 10.223 1.00 0.00 O ATOM 674 CB SER A 44 -5.613 -2.428 9.570 1.00 0.00 C ATOM 675 OG SER A 44 -6.745 -2.108 10.359 1.00 0.00 O ATOM 0 H SER A 44 -3.484 -1.194 9.778 1.00 0.00 H new ATOM 0 HA SER A 44 -4.807 -3.041 11.468 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.295 -1.548 9.010 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.879 -3.192 8.839 1.00 0.00 H new ATOM 0 HG SER A 44 -7.468 -1.789 9.780 1.00 0.00 H new ATOM 681 N PHE A 45 -2.872 -4.309 9.214 1.00 0.00 N ATOM 682 CA PHE A 45 -2.322 -5.553 8.684 1.00 0.00 C ATOM 683 C PHE A 45 -2.144 -6.589 9.790 1.00 0.00 C ATOM 684 O PHE A 45 -1.602 -6.291 10.854 1.00 0.00 O ATOM 685 CB PHE A 45 -0.979 -5.293 8.000 1.00 0.00 C ATOM 686 CG PHE A 45 -1.097 -4.541 6.705 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.072 -4.876 5.778 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.232 -3.499 6.414 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.181 -4.185 4.586 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.336 -2.805 5.224 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.311 -3.148 4.309 1.00 0.00 C ATOM 0 H PHE A 45 -2.336 -3.475 8.975 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.028 -5.945 7.952 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.338 -4.731 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.486 -6.247 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.754 -5.686 5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.533 -3.226 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.945 -4.455 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.345 -1.995 5.010 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.394 -2.607 3.378 1.00 0.00 H new ATOM 762 N VAL A 51 -3.717 -14.746 5.158 1.00 0.00 N ATOM 763 CA VAL A 51 -3.956 -13.366 4.750 1.00 0.00 C ATOM 764 C VAL A 51 -2.645 -12.599 4.624 1.00 0.00 C ATOM 765 O VAL A 51 -1.984 -12.312 5.622 1.00 0.00 O ATOM 766 CB VAL A 51 -4.873 -12.634 5.748 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.323 -13.044 5.542 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.434 -12.905 7.179 1.00 0.00 C ATOM 0 HA VAL A 51 -4.449 -13.403 3.779 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.792 -11.562 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.955 -12.516 6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.632 -12.791 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.422 -14.119 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.095 -12.379 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.481 -13.976 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.411 -12.555 7.318 1.00 0.00 H new ATOM 778 N HIS A 52 -2.272 -12.272 3.390 1.00 0.00 N ATOM 779 CA HIS A 52 -1.035 -11.541 3.136 1.00 0.00 C ATOM 780 C HIS A 52 -1.296 -10.037 3.056 1.00 0.00 C ATOM 781 O HIS A 52 -2.259 -9.599 2.427 1.00 0.00 O ATOM 782 CB HIS A 52 -0.390 -12.028 1.838 1.00 0.00 C ATOM 783 CG HIS A 52 0.241 -13.381 1.956 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.540 -13.571 2.380 1.00 0.00 N ATOM 785 CD2 HIS A 52 -0.256 -14.616 1.705 1.00 0.00 C ATOM 786 CE1 HIS A 52 1.815 -14.865 2.383 1.00 0.00 C ATOM 787 NE2 HIS A 52 0.742 -15.519 1.979 1.00 0.00 N ATOM 0 H HIS A 52 -2.807 -12.501 2.552 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.354 -11.729 3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.146 -12.056 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.367 -11.309 1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.251 -14.847 1.355 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.757 -15.310 2.668 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.666 -16.532 1.885 1.00 0.00 H new ATOM 796 N PRO A 53 -0.437 -9.221 3.697 1.00 0.00 N ATOM 797 CA PRO A 53 -0.582 -7.765 3.698 1.00 0.00 C ATOM 798 C PRO A 53 -0.045 -7.122 2.422 1.00 0.00 C ATOM 799 O PRO A 53 1.010 -7.506 1.919 1.00 0.00 O ATOM 800 CB PRO A 53 0.256 -7.343 4.901 1.00 0.00 C ATOM 801 CG PRO A 53 1.339 -8.364 4.975 1.00 0.00 C ATOM 802 CD PRO A 53 0.740 -9.655 4.479 1.00 0.00 C ATOM 0 HA PRO A 53 -1.626 -7.455 3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.663 -6.341 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.339 -7.328 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.192 -8.071 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.702 -8.472 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.446 -10.213 3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.453 -10.306 5.305 1.00 0.00 H new ATOM 810 N ILE A 54 -0.779 -6.139 1.909 1.00 0.00 N ATOM 811 CA ILE A 54 -0.386 -5.431 0.695 1.00 0.00 C ATOM 812 C ILE A 54 -0.769 -3.957 0.778 1.00 0.00 C ATOM 813 O ILE A 54 -1.743 -3.596 1.438 1.00 0.00 O ATOM 814 CB ILE A 54 -1.049 -6.035 -0.560 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.043 -7.565 -0.502 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.347 -5.547 -1.818 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.337 -8.175 -0.606 1.00 0.00 C ATOM 0 H ILE A 54 -1.655 -5.813 2.318 1.00 0.00 H new ATOM 0 HA ILE A 54 0.696 -5.533 0.612 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.087 -5.702 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.502 -7.886 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.663 -7.952 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.827 -5.982 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.410 -4.460 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.700 -5.848 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.259 -9.261 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.792 -7.886 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.956 -7.818 0.218 1.00 0.00 H new ATOM 829 N VAL A 55 -0.004 -3.109 0.100 1.00 0.00 N ATOM 830 CA VAL A 55 -0.271 -1.674 0.091 1.00 0.00 C ATOM 831 C VAL A 55 -0.255 -1.133 -1.333 1.00 0.00 C ATOM 832 O VAL A 55 0.591 -1.519 -2.141 1.00 0.00 O ATOM 833 CB VAL A 55 0.762 -0.901 0.935 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.401 0.576 1.001 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.867 -1.494 2.333 1.00 0.00 C ATOM 0 H VAL A 55 0.807 -3.390 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.259 -1.529 0.527 1.00 0.00 H new ATOM 0 HB VAL A 55 1.736 -0.993 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.141 1.105 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.386 0.992 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.583 0.690 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.601 -0.934 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.103 -1.437 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.178 -2.536 2.264 1.00 0.00 H new ATOM 845 N VAL A 56 -1.192 -0.241 -1.643 1.00 0.00 N ATOM 846 CA VAL A 56 -1.267 0.338 -2.980 1.00 0.00 C ATOM 847 C VAL A 56 -1.223 1.864 -2.929 1.00 0.00 C ATOM 848 O VAL A 56 -1.537 2.471 -1.906 1.00 0.00 O ATOM 849 CB VAL A 56 -2.544 -0.108 -3.713 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.595 0.468 -5.119 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.636 -1.624 -3.754 1.00 0.00 C ATOM 0 H VAL A 56 -1.903 0.094 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.398 -0.024 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.401 0.275 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.508 0.137 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.585 1.557 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.729 0.124 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.546 -1.919 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.769 -2.027 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.659 -2.015 -2.737 1.00 0.00 H new ATOM 861 N VAL A 57 -0.821 2.471 -4.043 1.00 0.00 N ATOM 862 CA VAL A 57 -0.721 3.926 -4.138 1.00 0.00 C ATOM 863 C VAL A 57 -0.809 4.378 -5.596 1.00 0.00 C ATOM 864 O VAL A 57 -1.064 3.571 -6.490 1.00 0.00 O ATOM 865 CB VAL A 57 0.605 4.448 -3.538 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.410 5.822 -2.914 1.00 0.00 C ATOM 867 CG2 VAL A 57 1.164 3.474 -2.511 1.00 0.00 C ATOM 0 H VAL A 57 -0.558 1.976 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.554 4.338 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 57 1.326 4.535 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.355 6.170 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.069 6.523 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.334 5.759 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.096 3.867 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.444 3.344 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.353 2.512 -2.987 1.00 0.00 H new ATOM 877 N GLN A 58 -0.590 5.670 -5.830 1.00 0.00 N ATOM 878 CA GLN A 58 -0.636 6.226 -7.179 1.00 0.00 C ATOM 879 C GLN A 58 -0.381 7.731 -7.148 1.00 0.00 C ATOM 880 O GLN A 58 -1.317 8.529 -7.204 1.00 0.00 O ATOM 881 CB GLN A 58 -1.987 5.938 -7.837 1.00 0.00 C ATOM 882 CG GLN A 58 -1.888 5.672 -9.331 1.00 0.00 C ATOM 883 CD GLN A 58 -3.200 5.908 -10.054 1.00 0.00 C ATOM 884 OE1 GLN A 58 -4.258 5.993 -9.431 1.00 0.00 O ATOM 885 NE2 GLN A 58 -3.136 6.011 -11.376 1.00 0.00 N ATOM 0 H GLN A 58 -0.379 6.352 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 58 0.148 5.749 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.442 5.075 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.652 6.785 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.120 6.315 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.569 4.642 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.236 5.934 -11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.986 6.167 -11.917 1.00 0.00 H new ATOM 894 N PRO A 59 0.896 8.140 -7.058 1.00 0.00 N ATOM 895 CA PRO A 59 1.272 9.557 -7.018 1.00 0.00 C ATOM 896 C PRO A 59 0.611 10.367 -8.129 1.00 0.00 C ATOM 897 O PRO A 59 0.915 10.186 -9.308 1.00 0.00 O ATOM 898 CB PRO A 59 2.790 9.525 -7.209 1.00 0.00 C ATOM 899 CG PRO A 59 3.207 8.196 -6.682 1.00 0.00 C ATOM 900 CD PRO A 59 2.074 7.254 -6.986 1.00 0.00 C ATOM 0 HA PRO A 59 0.954 10.037 -6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.060 9.637 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.275 10.337 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.130 7.861 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.397 8.244 -5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.235 6.723 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.961 6.499 -6.208 1.00 0.00 H new ATOM 908 N ASP A 60 -0.294 11.259 -7.742 1.00 0.00 N ATOM 909 CA ASP A 60 -1.000 12.099 -8.703 1.00 0.00 C ATOM 910 C ASP A 60 -1.857 13.136 -7.986 1.00 0.00 C ATOM 911 O ASP A 60 -1.905 14.301 -8.382 1.00 0.00 O ATOM 912 CB ASP A 60 -1.874 11.240 -9.618 1.00 0.00 C ATOM 913 CG ASP A 60 -1.874 11.737 -11.050 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.275 12.898 -11.276 1.00 0.00 O ATOM 915 OD2 ASP A 60 -1.474 10.964 -11.946 1.00 0.00 O ATOM 0 H ASP A 60 -0.556 11.419 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.259 12.621 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.518 10.210 -9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.896 11.233 -9.239 1.00 0.00 H new ATOM 1054 N ALA A 70 8.678 7.946 2.016 1.00 0.00 N ATOM 1055 CA ALA A 70 8.738 7.112 3.210 1.00 0.00 C ATOM 1056 C ALA A 70 7.514 6.209 3.313 1.00 0.00 C ATOM 1057 O ALA A 70 6.959 6.018 4.397 1.00 0.00 O ATOM 1058 CB ALA A 70 8.863 7.979 4.455 1.00 0.00 C ATOM 0 HA ALA A 70 9.620 6.476 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.907 7.342 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.773 8.576 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.999 8.640 4.526 1.00 0.00 H new ATOM 1064 N ILE A 71 7.095 5.654 2.180 1.00 0.00 N ATOM 1065 CA ILE A 71 5.937 4.769 2.145 1.00 0.00 C ATOM 1066 C ILE A 71 6.251 3.429 2.801 1.00 0.00 C ATOM 1067 O ILE A 71 5.623 3.047 3.787 1.00 0.00 O ATOM 1068 CB ILE A 71 5.457 4.524 0.702 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.358 5.846 -0.060 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.114 3.808 0.707 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.437 6.854 0.593 1.00 0.00 C ATOM 0 H ILE A 71 7.540 5.802 1.274 1.00 0.00 H new ATOM 0 HA ILE A 71 5.143 5.266 2.702 1.00 0.00 H new ATOM 0 HB ILE A 71 6.185 3.890 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.354 6.280 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.006 5.647 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.787 3.641 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.215 2.849 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.377 4.420 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.416 7.767 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.431 6.439 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.800 7.083 1.595 1.00 0.00 H new ATOM 1083 N GLY A 72 7.229 2.720 2.246 1.00 0.00 N ATOM 1084 CA GLY A 72 7.611 1.430 2.792 1.00 0.00 C ATOM 1085 C GLY A 72 8.088 1.527 4.228 1.00 0.00 C ATOM 1086 O GLY A 72 7.985 0.564 4.988 1.00 0.00 O ATOM 0 H GLY A 72 7.763 3.015 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.760 0.750 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.402 0.999 2.178 1.00 0.00 H new ATOM 1090 N GLN A 73 8.610 2.690 4.599 1.00 0.00 N ATOM 1091 CA GLN A 73 9.106 2.910 5.953 1.00 0.00 C ATOM 1092 C GLN A 73 7.956 3.167 6.925 1.00 0.00 C ATOM 1093 O GLN A 73 8.095 2.962 8.132 1.00 0.00 O ATOM 1094 CB GLN A 73 10.080 4.090 5.976 1.00 0.00 C ATOM 1095 CG GLN A 73 11.264 3.884 6.906 1.00 0.00 C ATOM 1096 CD GLN A 73 11.897 5.191 7.341 1.00 0.00 C ATOM 1097 OE1 GLN A 73 11.354 5.909 8.180 1.00 0.00 O ATOM 1098 NE2 GLN A 73 13.054 5.507 6.769 1.00 0.00 N ATOM 0 H GLN A 73 8.701 3.496 3.981 1.00 0.00 H new ATOM 0 HA GLN A 73 9.628 2.007 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.449 4.266 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.542 4.988 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.938 3.332 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.013 3.271 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.469 4.882 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.527 6.375 7.021 1.00 0.00 H new ATOM 1107 N MET A 74 6.822 3.616 6.395 1.00 0.00 N ATOM 1108 CA MET A 74 5.653 3.900 7.221 1.00 0.00 C ATOM 1109 C MET A 74 4.720 2.694 7.274 1.00 0.00 C ATOM 1110 O MET A 74 4.028 2.477 8.268 1.00 0.00 O ATOM 1111 CB MET A 74 4.904 5.119 6.678 1.00 0.00 C ATOM 1112 CG MET A 74 5.098 6.374 7.516 1.00 0.00 C ATOM 1113 SD MET A 74 3.550 7.015 8.185 1.00 0.00 S ATOM 1114 CE MET A 74 2.611 7.271 6.681 1.00 0.00 C ATOM 0 H MET A 74 6.688 3.791 5.399 1.00 0.00 H new ATOM 0 HA MET A 74 5.996 4.115 8.233 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.238 5.317 5.659 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.840 4.888 6.625 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.780 6.155 8.337 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.571 7.143 6.906 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.868 8.051 6.844 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.284 7.573 5.879 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.109 6.344 6.403 1.00 0.00 H new ATOM 1124 N CYS A 75 4.705 1.914 6.198 1.00 0.00 N ATOM 1125 CA CYS A 75 3.856 0.731 6.124 1.00 0.00 C ATOM 1126 C CYS A 75 4.681 -0.542 6.280 1.00 0.00 C ATOM 1127 O CYS A 75 5.903 -0.525 6.131 1.00 0.00 O ATOM 1128 CB CYS A 75 3.098 0.702 4.796 1.00 0.00 C ATOM 1129 SG CYS A 75 4.161 0.552 3.342 1.00 0.00 S ATOM 0 H CYS A 75 5.271 2.080 5.366 1.00 0.00 H new ATOM 0 HA CYS A 75 3.138 0.779 6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.397 -0.133 4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.506 1.613 4.708 1.00 0.00 H new ATOM 0 HG CYS A 75 4.691 1.708 3.071 1.00 0.00 H new ATOM 1135 N GLU A 76 4.003 -1.646 6.581 1.00 0.00 N ATOM 1136 CA GLU A 76 4.673 -2.929 6.758 1.00 0.00 C ATOM 1137 C GLU A 76 4.222 -3.926 5.695 1.00 0.00 C ATOM 1138 O GLU A 76 4.061 -5.115 5.972 1.00 0.00 O ATOM 1139 CB GLU A 76 4.387 -3.487 8.155 1.00 0.00 C ATOM 1140 CG GLU A 76 5.639 -3.896 8.913 1.00 0.00 C ATOM 1141 CD GLU A 76 5.326 -4.645 10.195 1.00 0.00 C ATOM 1142 OE1 GLU A 76 4.550 -4.115 11.017 1.00 0.00 O ATOM 1143 OE2 GLU A 76 5.858 -5.760 10.375 1.00 0.00 O ATOM 0 H GLU A 76 2.991 -1.677 6.707 1.00 0.00 H new ATOM 0 HA GLU A 76 5.746 -2.772 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.850 -2.736 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.728 -4.351 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.259 -4.523 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.223 -3.007 9.149 1.00 0.00 H new ATOM 1150 N ALA A 77 4.018 -3.434 4.478 1.00 0.00 N ATOM 1151 CA ALA A 77 3.586 -4.281 3.373 1.00 0.00 C ATOM 1152 C ALA A 77 4.130 -3.770 2.041 1.00 0.00 C ATOM 1153 O ALA A 77 4.652 -2.657 1.961 1.00 0.00 O ATOM 1154 CB ALA A 77 2.067 -4.358 3.334 1.00 0.00 C ATOM 0 H ALA A 77 4.145 -2.452 4.232 1.00 0.00 H new ATOM 0 HA ALA A 77 3.986 -5.282 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.756 -4.993 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.700 -4.778 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.655 -3.358 3.199 1.00 0.00 H new ATOM 1160 N PRO A 78 4.017 -4.580 0.974 1.00 0.00 N ATOM 1161 CA PRO A 78 4.502 -4.206 -0.358 1.00 0.00 C ATOM 1162 C PRO A 78 3.663 -3.104 -0.997 1.00 0.00 C ATOM 1163 O PRO A 78 2.500 -3.315 -1.340 1.00 0.00 O ATOM 1164 CB PRO A 78 4.377 -5.504 -1.159 1.00 0.00 C ATOM 1165 CG PRO A 78 3.294 -6.263 -0.476 1.00 0.00 C ATOM 1166 CD PRO A 78 3.410 -5.924 0.985 1.00 0.00 C ATOM 0 HA PRO A 78 5.515 -3.805 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.125 -5.305 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.313 -6.062 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.315 -5.983 -0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.406 -7.335 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.437 -5.922 1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.034 -6.643 1.517 1.00 0.00 H new ATOM 1174 N VAL A 79 4.265 -1.932 -1.158 1.00 0.00 N ATOM 1175 CA VAL A 79 3.583 -0.794 -1.760 1.00 0.00 C ATOM 1176 C VAL A 79 3.600 -0.896 -3.283 1.00 0.00 C ATOM 1177 O VAL A 79 4.659 -1.065 -3.885 1.00 0.00 O ATOM 1178 CB VAL A 79 4.239 0.534 -1.339 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.439 1.718 -1.854 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.387 0.600 0.174 1.00 0.00 C ATOM 0 H VAL A 79 5.228 -1.745 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 79 2.552 -0.810 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 79 5.233 0.580 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.921 2.645 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.392 1.679 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.429 1.680 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.852 1.545 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.404 0.528 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.011 -0.226 0.515 1.00 0.00 H new ATOM 1190 N VAL A 80 2.426 -0.797 -3.904 1.00 0.00 N ATOM 1191 CA VAL A 80 2.336 -0.886 -5.357 1.00 0.00 C ATOM 1192 C VAL A 80 1.329 0.113 -5.910 1.00 0.00 C ATOM 1193 O VAL A 80 0.653 0.808 -5.159 1.00 0.00 O ATOM 1194 CB VAL A 80 1.927 -2.301 -5.808 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.012 -3.309 -5.470 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.602 -2.699 -5.173 1.00 0.00 C ATOM 0 H VAL A 80 1.534 -0.657 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 80 3.327 -0.655 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 80 1.800 -2.294 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.702 -4.301 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.936 -3.032 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.178 -3.318 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.327 -3.701 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.701 -2.688 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.172 -1.993 -5.474 1.00 0.00 H new ATOM 1206 N THR A 81 1.229 0.172 -7.232 1.00 0.00 N ATOM 1207 CA THR A 81 0.295 1.075 -7.887 1.00 0.00 C ATOM 1208 C THR A 81 -1.012 0.349 -8.191 1.00 0.00 C ATOM 1209 O THR A 81 -1.048 -0.880 -8.246 1.00 0.00 O ATOM 1210 CB THR A 81 0.900 1.630 -9.177 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.854 0.661 -10.210 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.340 2.071 -9.024 1.00 0.00 C ATOM 0 H THR A 81 1.785 -0.396 -7.871 1.00 0.00 H new ATOM 0 HA THR A 81 0.090 1.908 -7.214 1.00 0.00 H new ATOM 0 HB THR A 81 0.296 2.502 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.606 0.800 -10.823 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.706 2.454 -9.976 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.402 2.855 -8.270 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.950 1.222 -8.716 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.086 1.110 -8.386 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.391 0.520 -8.679 1.00 0.00 C ATOM 1222 C ARG A 82 -3.313 -0.439 -9.866 1.00 0.00 C ATOM 1223 O ARG A 82 -4.159 -1.322 -10.012 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.435 1.606 -8.950 1.00 0.00 C ATOM 1225 CG ARG A 82 -3.911 2.788 -9.753 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.656 2.949 -11.070 1.00 0.00 C ATOM 1227 NE ARG A 82 -3.872 2.471 -12.206 1.00 0.00 N ATOM 1228 CZ ARG A 82 -4.375 2.270 -13.423 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -5.659 2.503 -13.663 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -3.592 1.837 -14.401 1.00 0.00 N ATOM 0 H ARG A 82 -2.080 2.129 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.696 -0.047 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.275 1.162 -9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.820 1.970 -7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.011 3.700 -9.165 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.848 2.651 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.597 2.401 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.906 3.999 -11.219 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.881 2.280 -12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.265 2.837 -12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.040 2.348 -14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.604 1.658 -14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.977 1.683 -15.333 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.293 -0.270 -10.708 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.113 -1.133 -11.872 1.00 0.00 C ATOM 1246 C GLU A 83 -2.246 -2.601 -11.480 1.00 0.00 C ATOM 1247 O GLU A 83 -2.857 -3.393 -12.194 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.747 -0.885 -12.513 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.670 0.414 -13.300 1.00 0.00 C ATOM 1250 CD GLU A 83 0.745 0.947 -13.407 1.00 0.00 C ATOM 1251 OE1 GLU A 83 1.686 0.129 -13.472 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.912 2.186 -13.424 1.00 0.00 O ATOM 0 H GLU A 83 -1.582 0.454 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.892 -0.894 -12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.014 -0.873 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.510 -1.717 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.070 0.252 -14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.301 1.163 -12.821 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.683 -2.949 -10.329 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.753 -4.314 -9.825 1.00 0.00 C ATOM 1261 C TRP A 84 -3.199 -4.702 -9.574 1.00 0.00 C ATOM 1262 O TRP A 84 -3.705 -5.680 -10.125 1.00 0.00 O ATOM 1263 CB TRP A 84 -0.966 -4.426 -8.519 1.00 0.00 C ATOM 1264 CG TRP A 84 -0.974 -5.804 -7.930 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.189 -6.860 -8.293 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.815 -6.273 -6.871 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.490 -7.958 -7.522 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.486 -7.622 -6.642 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.814 -5.682 -6.094 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.122 -8.388 -5.665 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.444 -6.442 -5.128 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.097 -7.782 -4.920 1.00 0.00 C ATOM 0 H TRP A 84 -1.172 -2.303 -9.727 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.323 -4.985 -10.568 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.065 -4.123 -8.699 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.382 -3.727 -7.793 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.559 -6.837 -9.072 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.045 -8.873 -7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.089 -4.649 -6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.855 -9.422 -5.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.218 -5.994 -4.522 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.609 -8.349 -4.156 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.852 -3.913 -8.737 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.249 -4.140 -8.389 1.00 0.00 C ATOM 1285 C VAL A 85 -6.128 -4.181 -9.636 1.00 0.00 C ATOM 1286 O VAL A 85 -7.077 -4.959 -9.712 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.774 -3.046 -7.437 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.224 -3.307 -7.058 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -4.900 -2.958 -6.194 1.00 0.00 C ATOM 0 H VAL A 85 -3.434 -3.102 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.298 -5.105 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.729 -2.090 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.571 -2.522 -6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.840 -3.314 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.301 -4.273 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.285 -2.181 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.911 -3.916 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.878 -2.714 -6.484 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.805 -3.339 -10.611 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.570 -3.283 -11.851 1.00 0.00 C ATOM 1301 C LEU A 86 -6.234 -4.466 -12.753 1.00 0.00 C ATOM 1302 O LEU A 86 -7.120 -5.207 -13.176 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.296 -1.969 -12.588 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.513 -1.347 -13.278 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.965 -0.094 -12.542 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.199 -1.027 -14.732 1.00 0.00 C ATOM 0 H LEU A 86 -5.021 -2.688 -10.567 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.629 -3.333 -11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.893 -1.248 -11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.523 -2.144 -13.336 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.327 -2.072 -13.253 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.831 0.333 -13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.234 -0.351 -11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.154 0.635 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.076 -0.586 -15.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.369 -0.322 -14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.927 -1.943 -15.256 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.949 -4.637 -13.041 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.496 -5.732 -13.890 1.00 0.00 C ATOM 1320 C ASP A 87 -4.921 -7.078 -13.310 1.00 0.00 C ATOM 1321 O ASP A 87 -5.156 -8.037 -14.047 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.974 -5.686 -14.046 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.455 -6.761 -14.981 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.755 -7.950 -14.744 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.749 -6.414 -15.951 1.00 0.00 O ATOM 0 H ASP A 87 -4.203 -4.032 -12.699 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.958 -5.617 -14.871 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.680 -4.707 -14.424 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.508 -5.803 -13.068 1.00 0.00 H new ATOM 1330 N SER A 88 -5.018 -7.141 -11.986 1.00 0.00 N ATOM 1331 CA SER A 88 -5.414 -8.368 -11.306 1.00 0.00 C ATOM 1332 C SER A 88 -6.920 -8.591 -11.408 1.00 0.00 C ATOM 1333 O SER A 88 -7.372 -9.668 -11.791 1.00 0.00 O ATOM 1334 CB SER A 88 -4.994 -8.321 -9.836 1.00 0.00 C ATOM 1335 OG SER A 88 -3.583 -8.327 -9.707 1.00 0.00 O ATOM 0 H SER A 88 -4.828 -6.356 -11.363 1.00 0.00 H new ATOM 0 HA SER A 88 -4.909 -9.200 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.401 -7.425 -9.367 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.414 -9.177 -9.307 1.00 0.00 H new ATOM 0 HG SER A 88 -3.242 -7.413 -9.802 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.693 -7.567 -11.057 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.148 -7.656 -11.107 1.00 0.00 C ATOM 1343 C VAL A 89 -9.655 -7.674 -12.547 1.00 0.00 C ATOM 1344 O VAL A 89 -10.709 -8.241 -12.837 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.808 -6.488 -10.349 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.325 -6.636 -10.339 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.265 -6.400 -8.929 1.00 0.00 C ATOM 0 H VAL A 89 -7.336 -6.667 -10.735 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.423 -8.593 -10.623 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.564 -5.562 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.769 -5.800 -9.798 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.697 -6.644 -11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.596 -7.571 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.742 -5.570 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.476 -7.330 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.188 -6.238 -8.961 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.901 -7.049 -13.445 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.278 -6.994 -14.853 1.00 0.00 C ATOM 1359 C ALA A 90 -9.216 -8.375 -15.493 1.00 0.00 C ATOM 1360 O ALA A 90 -10.191 -8.843 -16.081 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.378 -6.023 -15.602 1.00 0.00 C ATOM 0 H ALA A 90 -8.026 -6.574 -13.223 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.307 -6.641 -14.914 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.670 -5.992 -16.652 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.476 -5.028 -15.168 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.342 -6.353 -15.524 1.00 0.00 H new ATOM 1367 N LEU A 91 -8.063 -9.024 -15.374 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.870 -10.353 -15.940 1.00 0.00 C ATOM 1369 C LEU A 91 -8.072 -11.442 -14.885 1.00 0.00 C ATOM 1370 O LEU A 91 -7.900 -12.629 -15.166 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.469 -10.465 -16.547 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.096 -11.852 -17.075 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.379 -11.740 -18.413 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -5.231 -12.593 -16.066 1.00 0.00 C ATOM 0 H LEU A 91 -7.247 -8.650 -14.890 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.616 -10.498 -16.721 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.386 -9.749 -17.364 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.739 -10.173 -15.792 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.014 -12.421 -17.224 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.122 -12.736 -18.772 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.032 -11.251 -19.136 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.469 -11.153 -18.290 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.976 -13.577 -16.459 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.318 -12.027 -15.884 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.779 -12.707 -15.131 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.436 -11.035 -13.669 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.658 -11.979 -12.578 1.00 0.00 C ATOM 1388 C TYR A 92 -7.447 -12.889 -12.385 1.00 0.00 C ATOM 1389 O TYR A 92 -7.418 -14.013 -12.884 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.909 -12.820 -12.847 1.00 0.00 C ATOM 1391 CG TYR A 92 -11.072 -12.485 -11.940 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.880 -12.255 -10.582 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.365 -12.400 -12.442 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.943 -11.951 -9.752 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.433 -12.096 -11.618 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.216 -11.873 -10.275 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.276 -11.571 -9.452 1.00 0.00 O ATOM 0 H TYR A 92 -8.583 -10.058 -13.416 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.805 -11.406 -11.662 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.215 -12.679 -13.883 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.660 -13.875 -12.729 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.884 -12.315 -10.169 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.539 -12.574 -13.494 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.777 -11.776 -8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.432 -12.034 -12.024 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.966 -11.523 -8.524 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.451 -12.394 -11.657 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.240 -13.163 -11.396 1.00 0.00 C ATOM 1409 C GLN A 93 -4.276 -12.377 -10.512 1.00 0.00 C ATOM 1410 O GLN A 93 -3.955 -11.224 -10.799 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.554 -13.538 -12.713 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.111 -14.990 -12.777 1.00 0.00 C ATOM 1413 CD GLN A 93 -4.324 -15.604 -14.146 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -3.681 -15.214 -15.121 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -5.231 -16.571 -14.226 1.00 0.00 N ATOM 0 H GLN A 93 -6.459 -11.464 -11.238 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.525 -14.075 -10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.237 -13.339 -13.538 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.685 -12.895 -12.856 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.055 -15.056 -12.513 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.662 -15.567 -12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.741 -16.863 -13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.418 -17.022 -15.122 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.820 -13.008 -9.435 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.896 -12.368 -8.508 1.00 0.00 C ATOM 1426 C CYS A 94 -1.550 -12.102 -9.176 1.00 0.00 C ATOM 1427 O CYS A 94 -0.631 -12.916 -9.088 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.697 -13.241 -7.268 1.00 0.00 C ATOM 1429 SG CYS A 94 -2.223 -14.948 -7.636 1.00 0.00 S ATOM 0 H CYS A 94 -4.076 -13.963 -9.183 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.328 -11.413 -8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -1.930 -12.790 -6.638 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.621 -13.248 -6.690 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.180 -14.951 -8.411 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.442 -10.958 -9.845 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.208 -10.586 -10.528 1.00 0.00 C ATOM 1437 C GLN A 95 0.911 -10.328 -9.524 1.00 0.00 C ATOM 1438 O GLN A 95 0.676 -10.275 -8.317 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.433 -9.342 -11.389 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.619 -9.460 -12.332 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.397 -10.494 -13.419 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.950 -11.593 -13.369 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -0.584 -10.145 -14.410 1.00 0.00 N ATOM 0 H GLN A 95 -2.193 -10.273 -9.929 1.00 0.00 H new ATOM 0 HA GLN A 95 0.088 -11.415 -11.170 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.582 -8.481 -10.737 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.467 -9.147 -11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.509 -9.724 -11.760 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.812 -8.490 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.147 -9.223 -14.411 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.397 -10.799 -15.170 1.00 0.00 H new ATOM 1452 N GLU A 96 2.128 -10.169 -10.032 1.00 0.00 N ATOM 1453 CA GLU A 96 3.283 -9.915 -9.179 1.00 0.00 C ATOM 1454 C GLU A 96 3.398 -8.431 -8.846 1.00 0.00 C ATOM 1455 O GLU A 96 3.422 -7.584 -9.738 1.00 0.00 O ATOM 1456 CB GLU A 96 4.565 -10.399 -9.863 1.00 0.00 C ATOM 1457 CG GLU A 96 4.910 -9.627 -11.125 1.00 0.00 C ATOM 1458 CD GLU A 96 6.057 -10.252 -11.895 1.00 0.00 C ATOM 1459 OE1 GLU A 96 6.971 -10.809 -11.251 1.00 0.00 O ATOM 1460 OE2 GLU A 96 6.041 -10.185 -13.142 1.00 0.00 O ATOM 0 H GLU A 96 2.340 -10.211 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 96 3.145 -10.467 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.394 -10.319 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.458 -11.455 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.031 -9.576 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.171 -8.602 -10.860 1.00 0.00 H new ATOM 1467 N LEU A 97 3.467 -8.124 -7.555 1.00 0.00 N ATOM 1468 CA LEU A 97 3.576 -6.743 -7.101 1.00 0.00 C ATOM 1469 C LEU A 97 4.885 -6.115 -7.569 1.00 0.00 C ATOM 1470 O LEU A 97 4.965 -4.906 -7.782 1.00 0.00 O ATOM 1471 CB LEU A 97 3.483 -6.677 -5.576 1.00 0.00 C ATOM 1472 CG LEU A 97 2.060 -6.717 -5.014 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.651 -8.147 -4.701 1.00 0.00 C ATOM 1474 CD2 LEU A 97 1.952 -5.843 -3.772 1.00 0.00 C ATOM 0 H LEU A 97 3.449 -8.814 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 97 2.750 -6.180 -7.534 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.047 -7.510 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.966 -5.761 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 97 1.379 -6.324 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.637 -8.156 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.688 -8.744 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.334 -8.568 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.933 -5.884 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.643 -6.205 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.202 -4.814 -4.029 1.00 0.00 H new ATOM 1486 N ASP A 98 5.912 -6.946 -7.725 1.00 0.00 N ATOM 1487 CA ASP A 98 7.221 -6.473 -8.166 1.00 0.00 C ATOM 1488 C ASP A 98 7.116 -5.696 -9.475 1.00 0.00 C ATOM 1489 O ASP A 98 7.916 -4.799 -9.740 1.00 0.00 O ATOM 1490 CB ASP A 98 8.179 -7.653 -8.337 1.00 0.00 C ATOM 1491 CG ASP A 98 9.622 -7.210 -8.480 1.00 0.00 C ATOM 1492 OD1 ASP A 98 9.994 -6.740 -9.576 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.381 -7.332 -7.495 1.00 0.00 O ATOM 0 H ASP A 98 5.863 -7.950 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 98 7.610 -5.801 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.089 -8.318 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.889 -8.228 -9.217 1.00 0.00 H new ATOM 1498 N THR A 99 6.126 -6.045 -10.290 1.00 0.00 N ATOM 1499 CA THR A 99 5.920 -5.378 -11.571 1.00 0.00 C ATOM 1500 C THR A 99 5.249 -4.017 -11.386 1.00 0.00 C ATOM 1501 O THR A 99 5.276 -3.177 -12.285 1.00 0.00 O ATOM 1502 CB THR A 99 5.074 -6.256 -12.496 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.700 -7.508 -12.708 1.00 0.00 O ATOM 1504 CG2 THR A 99 4.827 -5.633 -13.853 1.00 0.00 C ATOM 0 H THR A 99 5.454 -6.785 -10.087 1.00 0.00 H new ATOM 0 HA THR A 99 6.898 -5.216 -12.025 1.00 0.00 H new ATOM 0 HB THR A 99 4.117 -6.372 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.241 -7.985 -13.430 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.221 -6.308 -14.458 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.301 -4.686 -13.728 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.780 -5.456 -14.351 1.00 0.00 H new ATOM 1512 N TYR A 100 4.648 -3.803 -10.218 1.00 0.00 N ATOM 1513 CA TYR A 100 3.975 -2.542 -9.928 1.00 0.00 C ATOM 1514 C TYR A 100 4.347 -2.034 -8.539 1.00 0.00 C ATOM 1515 O TYR A 100 3.558 -1.350 -7.886 1.00 0.00 O ATOM 1516 CB TYR A 100 2.456 -2.710 -10.032 1.00 0.00 C ATOM 1517 CG TYR A 100 2.016 -3.527 -11.227 1.00 0.00 C ATOM 1518 CD1 TYR A 100 1.989 -2.971 -12.500 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.629 -4.853 -11.081 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.586 -3.715 -13.594 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.227 -5.603 -12.170 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.207 -5.029 -13.423 1.00 0.00 C ATOM 1523 OH TYR A 100 0.807 -5.773 -14.510 1.00 0.00 O ATOM 0 H TYR A 100 4.614 -4.485 -9.460 1.00 0.00 H new ATOM 0 HA TYR A 100 4.302 -1.809 -10.665 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.089 -3.185 -9.123 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.993 -1.725 -10.086 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.287 -1.942 -12.637 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.642 -5.305 -10.100 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.568 -3.269 -14.577 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.930 -6.633 -12.040 1.00 0.00 H new ATOM 0 HH TYR A 100 0.574 -6.679 -14.218 1.00 0.00 H new ATOM 1533 N LEU A 101 5.552 -2.372 -8.093 1.00 0.00 N ATOM 1534 CA LEU A 101 6.029 -1.950 -6.782 1.00 0.00 C ATOM 1535 C LEU A 101 6.925 -0.721 -6.901 1.00 0.00 C ATOM 1536 O LEU A 101 7.776 -0.645 -7.787 1.00 0.00 O ATOM 1537 CB LEU A 101 6.791 -3.092 -6.106 1.00 0.00 C ATOM 1538 CG LEU A 101 6.313 -3.446 -4.695 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.294 -4.955 -4.498 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.198 -2.783 -3.650 1.00 0.00 C ATOM 0 H LEU A 101 6.217 -2.938 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 101 5.165 -1.688 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.714 -3.981 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.847 -2.826 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 101 5.297 -3.072 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.952 -5.186 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.618 -5.408 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.299 -5.353 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.843 -3.046 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.225 -3.127 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.160 -1.701 -3.775 1.00 0.00 H new