USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 440 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 Single : A 15 LYS NZ :NH3+ -176:sc= -0.492 (180deg=-0.548) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.0798 (180deg=-0.884) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.6!) USER MOD Single : A 41 SER OG : rot -9:sc= 0.847 USER MOD Single : A 49 HIS : no HD1:sc= -3.24! K(o=-3.2!,f=-0.79) USER MOD Single : A 50 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.1) USER MOD Single : A 58 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-6.2!) USER MOD Single : A 59 GLN : amide:sc= -0.482 K(o=-0.48,f=-1) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.499 11.425 1.259 1.00 0.00 N ATOM 82 CA PRO A 9 -0.538 9.974 1.055 1.00 0.00 C ATOM 83 C PRO A 9 -1.073 9.596 -0.322 1.00 0.00 C ATOM 84 O PRO A 9 -1.861 10.332 -0.915 1.00 0.00 O ATOM 85 CB PRO A 9 -1.491 9.488 2.151 1.00 0.00 C ATOM 86 CG PRO A 9 -2.361 10.661 2.444 1.00 0.00 C ATOM 87 CD PRO A 9 -1.499 11.877 2.240 1.00 0.00 C ATOM 0 HA PRO A 9 0.455 9.528 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.078 8.634 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.944 9.169 3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.226 10.680 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.742 10.619 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.077 12.721 1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.032 12.199 3.171 1.00 0.00 H new ATOM 95 N ILE A 10 -0.639 8.445 -0.824 1.00 0.00 N ATOM 96 CA ILE A 10 -1.076 7.969 -2.131 1.00 0.00 C ATOM 97 C ILE A 10 -2.125 6.870 -1.993 1.00 0.00 C ATOM 98 O ILE A 10 -1.864 5.821 -1.407 1.00 0.00 O ATOM 99 CB ILE A 10 0.106 7.434 -2.959 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.193 8.503 -3.087 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.369 6.988 -4.334 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.540 7.949 -3.498 1.00 0.00 C ATOM 0 H ILE A 10 0.015 7.825 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.514 8.823 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 10 0.529 6.571 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.876 9.246 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.297 9.020 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.478 6.612 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.112 6.198 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.815 7.834 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.262 8.763 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.879 7.227 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.451 7.457 -4.467 1.00 0.00 H new ATOM 114 N GLU A 11 -3.311 7.120 -2.540 1.00 0.00 N ATOM 115 CA GLU A 11 -4.398 6.151 -2.479 1.00 0.00 C ATOM 116 C GLU A 11 -4.179 5.022 -3.483 1.00 0.00 C ATOM 117 O GLU A 11 -4.359 5.204 -4.686 1.00 0.00 O ATOM 118 CB GLU A 11 -5.738 6.837 -2.752 1.00 0.00 C ATOM 119 CG GLU A 11 -6.386 7.424 -1.509 1.00 0.00 C ATOM 120 CD GLU A 11 -7.310 8.584 -1.826 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.449 8.330 -2.270 1.00 0.00 O ATOM 122 OE2 GLU A 11 -6.895 9.745 -1.629 1.00 0.00 O ATOM 0 H GLU A 11 -3.543 7.984 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.413 5.724 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.587 7.632 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.421 6.116 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.950 6.645 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.609 7.760 -0.823 1.00 0.00 H new ATOM 129 N ALA A 12 -3.787 3.857 -2.977 1.00 0.00 N ATOM 130 CA ALA A 12 -3.544 2.699 -3.828 1.00 0.00 C ATOM 131 C ALA A 12 -4.666 1.675 -3.695 1.00 0.00 C ATOM 132 O ALA A 12 -5.519 1.786 -2.814 1.00 0.00 O ATOM 133 CB ALA A 12 -2.204 2.064 -3.485 1.00 0.00 C ATOM 0 H ALA A 12 -3.631 3.691 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.518 3.039 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.035 1.200 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.407 2.791 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.209 1.745 -2.443 1.00 0.00 H new ATOM 139 N ILE A 13 -4.659 0.679 -4.575 1.00 0.00 N ATOM 140 CA ILE A 13 -5.676 -0.365 -4.555 1.00 0.00 C ATOM 141 C ILE A 13 -5.044 -1.751 -4.623 1.00 0.00 C ATOM 142 O ILE A 13 -4.217 -2.024 -5.492 1.00 0.00 O ATOM 143 CB ILE A 13 -6.668 -0.207 -5.722 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.332 1.171 -5.674 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.717 -1.308 -5.679 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.181 1.389 -4.441 1.00 0.00 C ATOM 0 H ILE A 13 -3.960 0.573 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.216 -0.261 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.119 -0.292 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.560 1.939 -5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.954 1.297 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.411 -1.182 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.229 -2.279 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.264 -1.252 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.621 2.386 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.975 0.643 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.560 1.295 -3.550 1.00 0.00 H new ATOM 158 N ALA A 14 -5.440 -2.622 -3.701 1.00 0.00 N ATOM 159 CA ALA A 14 -4.915 -3.981 -3.659 1.00 0.00 C ATOM 160 C ALA A 14 -4.992 -4.642 -5.031 1.00 0.00 C ATOM 161 O ALA A 14 -6.060 -4.711 -5.640 1.00 0.00 O ATOM 162 CB ALA A 14 -5.671 -4.807 -2.630 1.00 0.00 C ATOM 0 H ALA A 14 -6.123 -2.411 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.866 -3.930 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.268 -5.820 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.560 -4.352 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.727 -4.842 -2.896 1.00 0.00 H new ATOM 168 N LYS A 15 -3.853 -5.127 -5.514 1.00 0.00 N ATOM 169 CA LYS A 15 -3.791 -5.784 -6.814 1.00 0.00 C ATOM 170 C LYS A 15 -4.258 -7.233 -6.715 1.00 0.00 C ATOM 171 O LYS A 15 -4.846 -7.771 -7.653 1.00 0.00 O ATOM 172 CB LYS A 15 -2.365 -5.733 -7.367 1.00 0.00 C ATOM 173 CG LYS A 15 -2.301 -5.680 -8.883 1.00 0.00 C ATOM 174 CD LYS A 15 -0.960 -5.154 -9.367 1.00 0.00 C ATOM 175 CE LYS A 15 0.041 -6.282 -9.568 1.00 0.00 C ATOM 176 NZ LYS A 15 -0.065 -6.882 -10.927 1.00 0.00 N ATOM 0 H LYS A 15 -2.960 -5.077 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.457 -5.252 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.858 -4.858 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.818 -6.609 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.470 -6.677 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.100 -5.042 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.096 -4.615 -10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.565 -4.440 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.051 -5.902 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.126 -7.054 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.586 -7.690 -11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.040 -7.206 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.185 -6.169 -11.642 1.00 0.00 H new ATOM 190 N PHE A 16 -3.993 -7.858 -5.573 1.00 0.00 N ATOM 191 CA PHE A 16 -4.386 -9.244 -5.351 1.00 0.00 C ATOM 192 C PHE A 16 -4.408 -9.572 -3.861 1.00 0.00 C ATOM 193 O PHE A 16 -3.571 -9.091 -3.097 1.00 0.00 O ATOM 194 CB PHE A 16 -3.429 -10.191 -6.079 1.00 0.00 C ATOM 195 CG PHE A 16 -3.306 -9.905 -7.549 1.00 0.00 C ATOM 196 CD1 PHE A 16 -4.326 -10.246 -8.422 1.00 0.00 C ATOM 197 CD2 PHE A 16 -2.171 -9.295 -8.057 1.00 0.00 C ATOM 198 CE1 PHE A 16 -4.215 -9.985 -9.775 1.00 0.00 C ATOM 199 CE2 PHE A 16 -2.054 -9.031 -9.408 1.00 0.00 C ATOM 200 CZ PHE A 16 -3.078 -9.376 -10.268 1.00 0.00 C ATOM 0 H PHE A 16 -3.507 -7.426 -4.787 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.392 -9.378 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.443 -10.122 -5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.773 -11.217 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.218 -10.721 -8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.368 -9.022 -7.389 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.017 -10.257 -10.446 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.163 -8.556 -9.791 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.990 -9.170 -11.324 1.00 0.00 H new ATOM 210 N ASP A 17 -5.371 -10.393 -3.456 1.00 0.00 N ATOM 211 CA ASP A 17 -5.503 -10.786 -2.058 1.00 0.00 C ATOM 212 C ASP A 17 -4.142 -11.124 -1.458 1.00 0.00 C ATOM 213 O ASP A 17 -3.534 -12.137 -1.805 1.00 0.00 O ATOM 214 CB ASP A 17 -6.443 -11.985 -1.930 1.00 0.00 C ATOM 215 CG ASP A 17 -6.238 -13.002 -3.035 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.384 -13.899 -2.867 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.932 -12.903 -4.069 1.00 0.00 O ATOM 0 H ASP A 17 -6.072 -10.799 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.924 -9.944 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.285 -12.465 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.476 -11.637 -1.948 1.00 0.00 H new ATOM 222 N TYR A 18 -3.669 -10.270 -0.558 1.00 0.00 N ATOM 223 CA TYR A 18 -2.378 -10.476 0.087 1.00 0.00 C ATOM 224 C TYR A 18 -2.542 -10.632 1.596 1.00 0.00 C ATOM 225 O TYR A 18 -3.449 -10.055 2.197 1.00 0.00 O ATOM 226 CB TYR A 18 -1.439 -9.307 -0.217 1.00 0.00 C ATOM 227 CG TYR A 18 -0.010 -9.550 0.213 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.839 -10.345 -0.547 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.491 -8.986 1.380 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.145 -10.571 -0.158 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.796 -9.205 1.775 1.00 0.00 C ATOM 232 CZ TYR A 18 2.619 -9.999 1.003 1.00 0.00 C ATOM 233 OH TYR A 18 3.920 -10.220 1.395 1.00 0.00 O ATOM 0 H TYR A 18 -4.160 -9.428 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.945 -11.394 -0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.458 -9.106 -1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.813 -8.413 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.471 -10.794 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.151 -8.366 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.791 -11.192 -0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.171 -8.757 2.684 1.00 0.00 H new ATOM 0 HH TYR A 18 4.094 -9.744 2.234 1.00 0.00 H new ATOM 243 N VAL A 19 -1.657 -11.416 2.203 1.00 0.00 N ATOM 244 CA VAL A 19 -1.701 -11.648 3.642 1.00 0.00 C ATOM 245 C VAL A 19 -0.323 -11.470 4.270 1.00 0.00 C ATOM 246 O VAL A 19 0.602 -12.231 3.987 1.00 0.00 O ATOM 247 CB VAL A 19 -2.223 -13.060 3.967 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.369 -14.116 3.283 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.256 -13.282 5.472 1.00 0.00 C ATOM 0 H VAL A 19 -0.901 -11.901 1.721 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.386 -10.910 4.061 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.241 -13.149 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.753 -15.107 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.402 -13.967 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.339 -14.032 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.627 -14.285 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.250 -13.174 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.914 -12.546 5.934 1.00 0.00 H new ATOM 259 N GLY A 20 -0.193 -10.460 5.124 1.00 0.00 N ATOM 260 CA GLY A 20 1.075 -10.200 5.779 1.00 0.00 C ATOM 261 C GLY A 20 1.554 -11.379 6.603 1.00 0.00 C ATOM 262 O GLY A 20 1.012 -11.660 7.672 1.00 0.00 O ATOM 0 H GLY A 20 -0.944 -9.817 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.826 -9.957 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.975 -9.327 6.424 1.00 0.00 H new ATOM 266 N ARG A 21 2.573 -12.072 6.104 1.00 0.00 N ATOM 267 CA ARG A 21 3.123 -13.230 6.800 1.00 0.00 C ATOM 268 C ARG A 21 3.526 -12.865 8.226 1.00 0.00 C ATOM 269 O ARG A 21 3.436 -13.687 9.138 1.00 0.00 O ATOM 270 CB ARG A 21 4.332 -13.781 6.042 1.00 0.00 C ATOM 271 CG ARG A 21 3.978 -14.395 4.697 1.00 0.00 C ATOM 272 CD ARG A 21 5.225 -14.765 3.909 1.00 0.00 C ATOM 273 NE ARG A 21 4.929 -15.693 2.820 1.00 0.00 N ATOM 274 CZ ARG A 21 4.475 -15.310 1.632 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.267 -14.025 1.380 1.00 0.00 N ATOM 276 NH2 ARG A 21 4.230 -16.214 0.692 1.00 0.00 N ATOM 0 H ARG A 21 3.034 -11.852 5.221 1.00 0.00 H new ATOM 0 HA ARG A 21 2.350 -13.997 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.051 -12.976 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.824 -14.534 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.366 -15.284 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.378 -13.691 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.678 -13.861 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.957 -15.215 4.579 1.00 0.00 H new ATOM 0 HE ARG A 21 5.079 -16.689 2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.456 -13.327 2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.918 -13.734 0.467 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.390 -17.203 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.881 -15.920 -0.220 1.00 0.00 H new ATOM 290 N THR A 22 3.973 -11.627 8.411 1.00 0.00 N ATOM 291 CA THR A 22 4.392 -11.154 9.725 1.00 0.00 C ATOM 292 C THR A 22 3.567 -9.950 10.165 1.00 0.00 C ATOM 293 O THR A 22 2.799 -9.392 9.381 1.00 0.00 O ATOM 294 CB THR A 22 5.884 -10.770 9.734 1.00 0.00 C ATOM 295 OG1 THR A 22 6.111 -9.664 8.852 1.00 0.00 O ATOM 296 CG2 THR A 22 6.748 -11.948 9.310 1.00 0.00 C ATOM 0 H THR A 22 4.054 -10.933 7.667 1.00 0.00 H new ATOM 0 HA THR A 22 4.231 -11.976 10.423 1.00 0.00 H new ATOM 0 HB THR A 22 6.157 -10.486 10.750 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.061 -9.425 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.797 -11.653 9.324 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.595 -12.778 10.000 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.472 -12.258 8.302 1.00 0.00 H new ATOM 304 N ALA A 23 3.731 -9.554 11.423 1.00 0.00 N ATOM 305 CA ALA A 23 3.002 -8.415 11.966 1.00 0.00 C ATOM 306 C ALA A 23 3.221 -7.168 11.116 1.00 0.00 C ATOM 307 O ALA A 23 2.272 -6.455 10.786 1.00 0.00 O ATOM 308 CB ALA A 23 3.424 -8.156 13.405 1.00 0.00 C ATOM 0 H ALA A 23 4.362 -10.005 12.085 1.00 0.00 H new ATOM 0 HA ALA A 23 1.938 -8.653 11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.872 -7.303 13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.211 -9.037 14.011 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.492 -7.943 13.438 1.00 0.00 H new ATOM 314 N ARG A 24 4.476 -6.909 10.765 1.00 0.00 N ATOM 315 CA ARG A 24 4.819 -5.747 9.955 1.00 0.00 C ATOM 316 C ARG A 24 3.939 -5.672 8.711 1.00 0.00 C ATOM 317 O ARG A 24 3.318 -4.644 8.440 1.00 0.00 O ATOM 318 CB ARG A 24 6.293 -5.799 9.547 1.00 0.00 C ATOM 319 CG ARG A 24 7.246 -5.374 10.652 1.00 0.00 C ATOM 320 CD ARG A 24 8.557 -4.850 10.085 1.00 0.00 C ATOM 321 NE ARG A 24 9.602 -4.775 11.103 1.00 0.00 N ATOM 322 CZ ARG A 24 9.728 -3.763 11.953 1.00 0.00 C ATOM 323 NH1 ARG A 24 8.879 -2.745 11.909 1.00 0.00 N ATOM 324 NH2 ARG A 24 10.706 -3.767 12.851 1.00 0.00 N ATOM 0 H ARG A 24 5.273 -7.489 11.029 1.00 0.00 H new ATOM 0 HA ARG A 24 4.647 -4.854 10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.540 -6.814 9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.444 -5.155 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.777 -4.601 11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.445 -6.221 11.309 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.887 -5.500 9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.397 -3.861 9.656 1.00 0.00 H new ATOM 0 HE ARG A 24 10.271 -5.542 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.126 -2.738 11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.979 -1.969 12.564 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.361 -4.548 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.802 -2.989 13.504 1.00 0.00 H new ATOM 338 N GLU A 25 3.890 -6.767 7.959 1.00 0.00 N ATOM 339 CA GLU A 25 3.087 -6.824 6.744 1.00 0.00 C ATOM 340 C GLU A 25 1.599 -6.730 7.071 1.00 0.00 C ATOM 341 O GLU A 25 1.142 -7.245 8.092 1.00 0.00 O ATOM 342 CB GLU A 25 3.371 -8.117 5.978 1.00 0.00 C ATOM 343 CG GLU A 25 4.801 -8.224 5.474 1.00 0.00 C ATOM 344 CD GLU A 25 5.193 -9.648 5.130 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.520 -10.583 5.613 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.173 -9.827 4.376 1.00 0.00 O ATOM 0 H GLU A 25 4.397 -7.626 8.170 1.00 0.00 H new ATOM 0 HA GLU A 25 3.359 -5.973 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.158 -8.967 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.690 -8.184 5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.919 -7.595 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.480 -7.838 6.234 1.00 0.00 H new ATOM 353 N LEU A 26 0.848 -6.069 6.197 1.00 0.00 N ATOM 354 CA LEU A 26 -0.589 -5.906 6.391 1.00 0.00 C ATOM 355 C LEU A 26 -1.372 -6.804 5.438 1.00 0.00 C ATOM 356 O LEU A 26 -1.095 -6.845 4.240 1.00 0.00 O ATOM 357 CB LEU A 26 -0.990 -4.445 6.180 1.00 0.00 C ATOM 358 CG LEU A 26 -0.159 -3.405 6.932 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.468 -2.006 6.424 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.415 -3.500 8.429 1.00 0.00 C ATOM 0 H LEU A 26 1.210 -5.637 5.347 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.828 -6.197 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.934 -4.224 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.033 -4.329 6.475 1.00 0.00 H new ATOM 0 HG LEU A 26 0.896 -3.610 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.133 -1.279 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.233 -1.945 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.526 -1.789 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.185 -2.753 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.471 -3.321 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.142 -4.494 8.782 1.00 0.00 H new ATOM 372 N SER A 27 -2.353 -7.519 5.980 1.00 0.00 N ATOM 373 CA SER A 27 -3.176 -8.418 5.178 1.00 0.00 C ATOM 374 C SER A 27 -4.373 -7.677 4.590 1.00 0.00 C ATOM 375 O SER A 27 -5.083 -6.961 5.297 1.00 0.00 O ATOM 376 CB SER A 27 -3.656 -9.596 6.027 1.00 0.00 C ATOM 377 OG SER A 27 -4.840 -10.162 5.490 1.00 0.00 O ATOM 0 H SER A 27 -2.597 -7.494 6.970 1.00 0.00 H new ATOM 0 HA SER A 27 -2.566 -8.796 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.876 -10.355 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.839 -9.262 7.048 1.00 0.00 H new ATOM 0 HG SER A 27 -5.126 -10.914 6.049 1.00 0.00 H new ATOM 383 N PHE A 28 -4.592 -7.856 3.292 1.00 0.00 N ATOM 384 CA PHE A 28 -5.702 -7.205 2.607 1.00 0.00 C ATOM 385 C PHE A 28 -6.247 -8.090 1.490 1.00 0.00 C ATOM 386 O PHE A 28 -5.661 -9.121 1.157 1.00 0.00 O ATOM 387 CB PHE A 28 -5.257 -5.858 2.034 1.00 0.00 C ATOM 388 CG PHE A 28 -3.946 -5.921 1.304 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.886 -6.379 -0.002 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.773 -5.522 1.925 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.681 -6.438 -0.676 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.565 -5.578 1.255 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.519 -6.038 -0.047 1.00 0.00 C ATOM 0 H PHE A 28 -4.015 -8.447 2.693 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.496 -7.038 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.025 -5.490 1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.177 -5.135 2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.792 -6.694 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.803 -5.163 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.648 -6.797 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.658 -5.262 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.576 -6.085 -0.572 1.00 0.00 H new ATOM 403 N LYS A 29 -7.372 -7.681 0.913 1.00 0.00 N ATOM 404 CA LYS A 29 -7.997 -8.435 -0.167 1.00 0.00 C ATOM 405 C LYS A 29 -8.027 -7.617 -1.454 1.00 0.00 C ATOM 406 O LYS A 29 -8.102 -6.388 -1.420 1.00 0.00 O ATOM 407 CB LYS A 29 -9.419 -8.843 0.224 1.00 0.00 C ATOM 408 CG LYS A 29 -9.475 -9.801 1.402 1.00 0.00 C ATOM 409 CD LYS A 29 -9.227 -11.235 0.966 1.00 0.00 C ATOM 410 CE LYS A 29 -10.524 -11.936 0.594 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.866 -11.745 -0.843 1.00 0.00 N ATOM 0 H LYS A 29 -7.870 -6.830 1.176 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.404 -9.333 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.991 -7.948 0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.904 -9.308 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.731 -9.511 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.450 -9.730 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.549 -11.245 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.735 -11.781 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.435 -13.001 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.334 -11.553 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.468 -12.530 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.376 -10.847 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.993 -11.725 -1.408 1.00 0.00 H new ATOM 425 N LYS A 30 -7.970 -8.306 -2.589 1.00 0.00 N ATOM 426 CA LYS A 30 -7.994 -7.644 -3.888 1.00 0.00 C ATOM 427 C LYS A 30 -9.073 -6.567 -3.930 1.00 0.00 C ATOM 428 O LYS A 30 -10.240 -6.832 -3.645 1.00 0.00 O ATOM 429 CB LYS A 30 -8.236 -8.667 -5.000 1.00 0.00 C ATOM 430 CG LYS A 30 -8.223 -8.065 -6.394 1.00 0.00 C ATOM 431 CD LYS A 30 -7.932 -9.115 -7.453 1.00 0.00 C ATOM 432 CE LYS A 30 -8.322 -8.630 -8.841 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.785 -8.764 -9.085 1.00 0.00 N ATOM 0 H LYS A 30 -7.907 -9.323 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.025 -7.169 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.472 -9.442 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.197 -9.153 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.187 -7.598 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.470 -7.278 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.871 -9.364 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.477 -10.030 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.029 -7.587 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.775 -9.200 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.010 -8.423 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.061 -9.763 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.307 -8.200 -8.384 1.00 0.00 H new ATOM 447 N GLY A 31 -8.675 -5.350 -4.290 1.00 0.00 N ATOM 448 CA GLY A 31 -9.621 -4.252 -4.364 1.00 0.00 C ATOM 449 C GLY A 31 -9.616 -3.397 -3.113 1.00 0.00 C ATOM 450 O GLY A 31 -9.824 -2.186 -3.179 1.00 0.00 O ATOM 0 H GLY A 31 -7.715 -5.105 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.384 -3.629 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.623 -4.650 -4.524 1.00 0.00 H new ATOM 454 N ALA A 32 -9.380 -4.028 -1.967 1.00 0.00 N ATOM 455 CA ALA A 32 -9.349 -3.318 -0.695 1.00 0.00 C ATOM 456 C ALA A 32 -8.529 -2.036 -0.802 1.00 0.00 C ATOM 457 O ALA A 32 -7.384 -2.057 -1.253 1.00 0.00 O ATOM 458 CB ALA A 32 -8.788 -4.216 0.398 1.00 0.00 C ATOM 0 H ALA A 32 -9.207 -5.031 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.372 -3.044 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.771 -3.672 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.416 -5.101 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.774 -4.519 0.135 1.00 0.00 H new ATOM 464 N SER A 33 -9.123 -0.923 -0.385 1.00 0.00 N ATOM 465 CA SER A 33 -8.449 0.369 -0.439 1.00 0.00 C ATOM 466 C SER A 33 -7.307 0.428 0.571 1.00 0.00 C ATOM 467 O SER A 33 -7.473 0.064 1.736 1.00 0.00 O ATOM 468 CB SER A 33 -9.444 1.499 -0.167 1.00 0.00 C ATOM 469 OG SER A 33 -8.789 2.755 -0.125 1.00 0.00 O ATOM 0 H SER A 33 -10.069 -0.890 -0.006 1.00 0.00 H new ATOM 0 HA SER A 33 -8.034 0.493 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.209 1.510 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.954 1.319 0.779 1.00 0.00 H new ATOM 0 HG SER A 33 -9.446 3.461 0.048 1.00 0.00 H new ATOM 475 N LEU A 34 -6.147 0.889 0.117 1.00 0.00 N ATOM 476 CA LEU A 34 -4.975 0.997 0.979 1.00 0.00 C ATOM 477 C LEU A 34 -4.302 2.356 0.817 1.00 0.00 C ATOM 478 O LEU A 34 -4.146 2.854 -0.298 1.00 0.00 O ATOM 479 CB LEU A 34 -3.979 -0.120 0.661 1.00 0.00 C ATOM 480 CG LEU A 34 -4.546 -1.539 0.639 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.684 -2.445 -0.227 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.653 -2.093 2.052 1.00 0.00 C ATOM 0 H LEU A 34 -5.993 1.194 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.305 0.898 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.531 0.086 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.175 -0.083 1.396 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.546 -1.503 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.103 -3.451 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.659 -2.058 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.671 -2.475 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.059 -3.104 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.664 -2.114 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.313 -1.458 2.643 1.00 0.00 H new ATOM 494 N LEU A 35 -3.904 2.950 1.936 1.00 0.00 N ATOM 495 CA LEU A 35 -3.245 4.252 1.919 1.00 0.00 C ATOM 496 C LEU A 35 -1.730 4.096 1.993 1.00 0.00 C ATOM 497 O LEU A 35 -1.219 3.217 2.687 1.00 0.00 O ATOM 498 CB LEU A 35 -3.739 5.111 3.084 1.00 0.00 C ATOM 499 CG LEU A 35 -3.767 6.620 2.841 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.925 6.992 1.929 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.862 7.372 4.161 1.00 0.00 C ATOM 0 H LEU A 35 -4.026 2.551 2.867 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.495 4.746 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.746 4.787 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.105 4.914 3.949 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.837 6.907 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.929 8.070 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.813 6.482 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.864 6.691 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.881 8.445 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.775 7.081 4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.999 7.130 4.781 1.00 0.00 H new ATOM 513 N LEU A 36 -1.016 4.956 1.275 1.00 0.00 N ATOM 514 CA LEU A 36 0.442 4.916 1.260 1.00 0.00 C ATOM 515 C LEU A 36 1.028 6.220 1.792 1.00 0.00 C ATOM 516 O LEU A 36 0.563 7.307 1.448 1.00 0.00 O ATOM 517 CB LEU A 36 0.951 4.656 -0.159 1.00 0.00 C ATOM 518 CG LEU A 36 0.437 3.383 -0.833 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.152 3.154 -2.155 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.615 2.183 0.087 1.00 0.00 C ATOM 0 H LEU A 36 -1.423 5.690 0.695 1.00 0.00 H new ATOM 0 HA LEU A 36 0.765 4.102 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.680 5.508 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.040 4.614 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.627 3.506 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.774 2.244 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.973 4.001 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.223 3.052 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.244 1.286 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.672 2.057 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.056 2.345 1.009 1.00 0.00 H new ATOM 532 N TYR A 37 2.052 6.104 2.629 1.00 0.00 N ATOM 533 CA TYR A 37 2.702 7.274 3.208 1.00 0.00 C ATOM 534 C TYR A 37 4.104 7.457 2.636 1.00 0.00 C ATOM 535 O TYR A 37 4.477 8.553 2.217 1.00 0.00 O ATOM 536 CB TYR A 37 2.773 7.143 4.731 1.00 0.00 C ATOM 537 CG TYR A 37 1.419 7.015 5.391 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.385 7.888 5.075 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.174 6.024 6.333 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.853 7.776 5.676 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.062 5.903 6.938 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.072 6.782 6.607 1.00 0.00 C ATOM 543 OH TYR A 37 -2.304 6.666 7.209 1.00 0.00 O ATOM 0 H TYR A 37 2.450 5.212 2.922 1.00 0.00 H new ATOM 0 HA TYR A 37 2.108 8.152 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.375 6.271 4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.286 8.014 5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.553 8.668 4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.964 5.336 6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.646 8.463 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.236 5.125 7.666 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.821 7.485 7.057 1.00 0.00 H new ATOM 553 N GLN A 38 4.877 6.376 2.622 1.00 0.00 N ATOM 554 CA GLN A 38 6.238 6.416 2.102 1.00 0.00 C ATOM 555 C GLN A 38 6.651 5.055 1.551 1.00 0.00 C ATOM 556 O GLN A 38 6.201 4.017 2.035 1.00 0.00 O ATOM 557 CB GLN A 38 7.212 6.854 3.197 1.00 0.00 C ATOM 558 CG GLN A 38 7.394 8.361 3.282 1.00 0.00 C ATOM 559 CD GLN A 38 8.296 8.903 2.191 1.00 0.00 C ATOM 560 OE1 GLN A 38 8.164 8.537 1.022 1.00 0.00 O ATOM 561 NE2 GLN A 38 9.220 9.779 2.566 1.00 0.00 N ATOM 0 H GLN A 38 4.584 5.461 2.965 1.00 0.00 H new ATOM 0 HA GLN A 38 6.268 7.141 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.855 6.485 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.181 6.389 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.420 8.845 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.812 8.618 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.294 10.054 3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.856 10.177 1.875 1.00 0.00 H new ATOM 570 N ARG A 39 7.510 5.069 0.537 1.00 0.00 N ATOM 571 CA ARG A 39 7.982 3.835 -0.080 1.00 0.00 C ATOM 572 C ARG A 39 9.150 3.247 0.706 1.00 0.00 C ATOM 573 O ARG A 39 10.292 3.680 0.558 1.00 0.00 O ATOM 574 CB ARG A 39 8.407 4.094 -1.527 1.00 0.00 C ATOM 575 CG ARG A 39 8.991 2.873 -2.218 1.00 0.00 C ATOM 576 CD ARG A 39 7.911 2.053 -2.907 1.00 0.00 C ATOM 577 NE ARG A 39 8.469 1.140 -3.901 1.00 0.00 N ATOM 578 CZ ARG A 39 8.818 1.512 -5.128 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.668 2.773 -5.509 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.318 0.622 -5.975 1.00 0.00 N ATOM 0 H ARG A 39 7.893 5.920 0.126 1.00 0.00 H new ATOM 0 HA ARG A 39 7.162 3.117 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.544 4.443 -2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.144 4.897 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.733 3.189 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.509 2.253 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.357 1.483 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.199 2.723 -3.389 1.00 0.00 H new ATOM 0 HE ARG A 39 8.598 0.163 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.284 3.460 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.937 3.056 -6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.435 -0.349 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.586 0.908 -6.917 1.00 0.00 H new ATOM 594 N ALA A 40 8.854 2.257 1.543 1.00 0.00 N ATOM 595 CA ALA A 40 9.879 1.608 2.351 1.00 0.00 C ATOM 596 C ALA A 40 11.016 1.084 1.480 1.00 0.00 C ATOM 597 O ALA A 40 12.190 1.264 1.801 1.00 0.00 O ATOM 598 CB ALA A 40 9.271 0.477 3.166 1.00 0.00 C ATOM 0 H ALA A 40 7.913 1.887 1.679 1.00 0.00 H new ATOM 0 HA ALA A 40 10.293 2.351 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.048 0.001 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.500 0.877 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.829 -0.259 2.494 1.00 0.00 H new ATOM 604 N SER A 41 10.658 0.435 0.377 1.00 0.00 N ATOM 605 CA SER A 41 11.648 -0.120 -0.539 1.00 0.00 C ATOM 606 C SER A 41 11.048 -0.329 -1.926 1.00 0.00 C ATOM 607 O SER A 41 9.870 -0.052 -2.154 1.00 0.00 O ATOM 608 CB SER A 41 12.188 -1.445 0.001 1.00 0.00 C ATOM 609 OG SER A 41 12.871 -1.255 1.228 1.00 0.00 O ATOM 0 H SER A 41 9.690 0.280 0.096 1.00 0.00 H new ATOM 0 HA SER A 41 12.469 0.592 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.365 -2.145 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.863 -1.891 -0.729 1.00 0.00 H new ATOM 0 HG SER A 41 12.977 -0.296 1.398 1.00 0.00 H new ATOM 615 N ASP A 42 11.866 -0.821 -2.849 1.00 0.00 N ATOM 616 CA ASP A 42 11.418 -1.070 -4.215 1.00 0.00 C ATOM 617 C ASP A 42 10.361 -2.170 -4.247 1.00 0.00 C ATOM 618 O ASP A 42 9.598 -2.282 -5.207 1.00 0.00 O ATOM 619 CB ASP A 42 12.603 -1.458 -5.101 1.00 0.00 C ATOM 620 CG ASP A 42 12.181 -1.790 -6.519 1.00 0.00 C ATOM 621 OD1 ASP A 42 11.210 -1.175 -7.008 1.00 0.00 O ATOM 622 OD2 ASP A 42 12.823 -2.662 -7.139 1.00 0.00 O ATOM 0 H ASP A 42 12.844 -1.056 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 42 10.974 -0.152 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.322 -0.639 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.112 -2.318 -4.666 1.00 0.00 H new ATOM 627 N ASP A 43 10.323 -2.978 -3.194 1.00 0.00 N ATOM 628 CA ASP A 43 9.360 -4.070 -3.102 1.00 0.00 C ATOM 629 C ASP A 43 8.586 -4.002 -1.790 1.00 0.00 C ATOM 630 O ASP A 43 8.143 -5.023 -1.266 1.00 0.00 O ATOM 631 CB ASP A 43 10.072 -5.418 -3.220 1.00 0.00 C ATOM 632 CG ASP A 43 10.191 -5.887 -4.656 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.169 -5.866 -5.374 1.00 0.00 O ATOM 634 OD2 ASP A 43 11.306 -6.277 -5.063 1.00 0.00 O ATOM 0 H ASP A 43 10.948 -2.898 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 43 8.653 -3.969 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.068 -5.339 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.528 -6.165 -2.641 1.00 0.00 H new ATOM 639 N TRP A 44 8.428 -2.792 -1.264 1.00 0.00 N ATOM 640 CA TRP A 44 7.708 -2.591 -0.012 1.00 0.00 C ATOM 641 C TRP A 44 7.195 -1.160 0.098 1.00 0.00 C ATOM 642 O TRP A 44 7.677 -0.264 -0.595 1.00 0.00 O ATOM 643 CB TRP A 44 8.613 -2.914 1.178 1.00 0.00 C ATOM 644 CG TRP A 44 8.902 -4.377 1.325 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.113 -4.992 1.180 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.962 -5.408 1.645 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.982 -6.344 1.390 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.672 -6.624 1.678 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.590 -5.423 1.908 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.054 -7.839 1.962 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.978 -6.629 2.190 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.710 -7.824 2.216 1.00 0.00 C ATOM 0 H TRP A 44 8.789 -1.936 -1.685 1.00 0.00 H new ATOM 0 HA TRP A 44 6.852 -3.265 -0.002 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.554 -2.375 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.143 -2.550 2.092 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.038 -4.490 0.936 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.737 -7.028 1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.018 -4.507 1.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.616 -8.761 1.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.918 -6.651 2.394 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.203 -8.751 2.441 1.00 0.00 H new ATOM 663 N TRP A 45 6.216 -0.952 0.970 1.00 0.00 N ATOM 664 CA TRP A 45 5.638 0.372 1.169 1.00 0.00 C ATOM 665 C TRP A 45 5.321 0.612 2.642 1.00 0.00 C ATOM 666 O TRP A 45 5.313 -0.321 3.443 1.00 0.00 O ATOM 667 CB TRP A 45 4.368 0.528 0.330 1.00 0.00 C ATOM 668 CG TRP A 45 4.639 0.940 -1.085 1.00 0.00 C ATOM 669 CD1 TRP A 45 4.967 0.122 -2.128 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.607 2.271 -1.611 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.140 0.864 -3.271 1.00 0.00 N ATOM 672 CE2 TRP A 45 4.925 2.185 -2.981 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.339 3.527 -1.060 1.00 0.00 C ATOM 674 CZ2 TRP A 45 4.982 3.307 -3.803 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.397 4.639 -1.877 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.715 4.524 -3.237 1.00 0.00 C ATOM 0 H TRP A 45 5.805 -1.683 1.551 1.00 0.00 H new ATOM 0 HA TRP A 45 6.371 1.113 0.848 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.824 -0.416 0.328 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.720 1.268 0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.075 -0.951 -2.064 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.388 0.491 -4.187 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.091 3.626 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.228 3.220 -4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.194 5.614 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.750 5.413 -3.850 1.00 0.00 H new ATOM 687 N GLU A 46 5.061 1.868 2.989 1.00 0.00 N ATOM 688 CA GLU A 46 4.745 2.229 4.366 1.00 0.00 C ATOM 689 C GLU A 46 3.439 3.015 4.437 1.00 0.00 C ATOM 690 O GLU A 46 3.412 4.219 4.183 1.00 0.00 O ATOM 691 CB GLU A 46 5.882 3.053 4.975 1.00 0.00 C ATOM 692 CG GLU A 46 7.221 2.334 4.976 1.00 0.00 C ATOM 693 CD GLU A 46 8.120 2.775 6.115 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.591 3.078 7.205 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.352 2.818 5.916 1.00 0.00 O ATOM 0 H GLU A 46 5.063 2.652 2.337 1.00 0.00 H new ATOM 0 HA GLU A 46 4.627 1.308 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.981 3.986 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.620 3.317 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.052 1.260 5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.727 2.515 4.028 1.00 0.00 H new ATOM 702 N GLY A 47 2.357 2.324 4.782 1.00 0.00 N ATOM 703 CA GLY A 47 1.062 2.973 4.879 1.00 0.00 C ATOM 704 C GLY A 47 0.248 2.469 6.055 1.00 0.00 C ATOM 705 O GLY A 47 0.804 1.993 7.045 1.00 0.00 O ATOM 0 H GLY A 47 2.354 1.327 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.205 4.049 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.505 2.806 3.957 1.00 0.00 H new ATOM 709 N ARG A 48 -1.072 2.576 5.947 1.00 0.00 N ATOM 710 CA ARG A 48 -1.964 2.130 7.011 1.00 0.00 C ATOM 711 C ARG A 48 -3.139 1.342 6.440 1.00 0.00 C ATOM 712 O ARG A 48 -3.732 1.732 5.434 1.00 0.00 O ATOM 713 CB ARG A 48 -2.479 3.329 7.809 1.00 0.00 C ATOM 714 CG ARG A 48 -3.485 2.957 8.886 1.00 0.00 C ATOM 715 CD ARG A 48 -4.414 4.117 9.206 1.00 0.00 C ATOM 716 NE ARG A 48 -5.582 4.140 8.329 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.586 5.000 8.464 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.564 5.902 9.435 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.614 4.958 7.627 1.00 0.00 N ATOM 0 H ARG A 48 -1.548 2.967 5.134 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.399 1.476 7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.633 3.836 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.940 4.040 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.072 2.100 8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.956 2.653 9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.741 4.044 10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.869 5.056 9.109 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.630 3.459 7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.775 5.937 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.336 6.561 9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.634 4.265 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.384 5.619 7.732 1.00 0.00 H new ATOM 733 N HIS A 49 -3.471 0.231 7.090 1.00 0.00 N ATOM 734 CA HIS A 49 -4.576 -0.613 6.647 1.00 0.00 C ATOM 735 C HIS A 49 -5.534 -0.900 7.799 1.00 0.00 C ATOM 736 O HIS A 49 -5.135 -1.433 8.833 1.00 0.00 O ATOM 737 CB HIS A 49 -4.044 -1.925 6.071 1.00 0.00 C ATOM 738 CG HIS A 49 -5.114 -2.938 5.803 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.331 -4.035 6.611 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.031 -3.016 4.810 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.334 -4.744 6.126 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.777 -4.147 5.034 1.00 0.00 N ATOM 0 H HIS A 49 -2.991 -0.106 7.925 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.121 -0.079 5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.512 -1.716 5.143 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.319 -2.350 6.765 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.153 -2.319 3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.726 -5.657 6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.548 -4.473 4.452 1.00 0.00 H new ATOM 751 N ASN A 50 -6.801 -0.544 7.611 1.00 0.00 N ATOM 752 CA ASN A 50 -7.816 -0.762 8.635 1.00 0.00 C ATOM 753 C ASN A 50 -7.328 -0.281 9.997 1.00 0.00 C ATOM 754 O ASN A 50 -7.586 -0.914 11.020 1.00 0.00 O ATOM 755 CB ASN A 50 -8.186 -2.245 8.707 1.00 0.00 C ATOM 756 CG ASN A 50 -9.111 -2.667 7.582 1.00 0.00 C ATOM 757 OD1 ASN A 50 -9.400 -1.885 6.676 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.580 -3.908 7.636 1.00 0.00 N ATOM 0 H ASN A 50 -7.149 -0.104 6.759 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.701 -0.186 8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.277 -2.845 8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.665 -2.451 9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.207 -4.248 6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.313 -4.521 8.406 1.00 0.00 H new ATOM 765 N GLY A 51 -6.620 0.844 10.002 1.00 0.00 N ATOM 766 CA GLY A 51 -6.106 1.392 11.244 1.00 0.00 C ATOM 767 C GLY A 51 -4.907 0.625 11.764 1.00 0.00 C ATOM 768 O GLY A 51 -4.733 0.477 12.974 1.00 0.00 O ATOM 0 H GLY A 51 -6.393 1.386 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.827 2.434 11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.895 1.381 11.996 1.00 0.00 H new ATOM 772 N ILE A 52 -4.078 0.135 10.849 1.00 0.00 N ATOM 773 CA ILE A 52 -2.889 -0.622 11.222 1.00 0.00 C ATOM 774 C ILE A 52 -1.696 -0.234 10.355 1.00 0.00 C ATOM 775 O ILE A 52 -1.721 -0.401 9.136 1.00 0.00 O ATOM 776 CB ILE A 52 -3.126 -2.139 11.101 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.378 -2.545 11.881 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.911 -2.906 11.602 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.794 -3.981 11.650 1.00 0.00 C ATOM 0 H ILE A 52 -4.208 0.248 9.844 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.673 -0.378 12.262 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.279 -2.386 10.050 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.198 -2.394 12.945 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.201 -1.887 11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.093 -3.977 11.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.039 -2.634 11.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.729 -2.657 12.648 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.688 -4.199 12.234 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.006 -4.133 10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.988 -4.647 11.958 1.00 0.00 H new ATOM 791 N ASP A 53 -0.651 0.283 10.993 1.00 0.00 N ATOM 792 CA ASP A 53 0.554 0.691 10.280 1.00 0.00 C ATOM 793 C ASP A 53 1.496 -0.492 10.083 1.00 0.00 C ATOM 794 O ASP A 53 1.796 -1.224 11.025 1.00 0.00 O ATOM 795 CB ASP A 53 1.269 1.807 11.043 1.00 0.00 C ATOM 796 CG ASP A 53 2.124 1.277 12.178 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.551 0.840 13.197 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.366 1.300 12.046 1.00 0.00 O ATOM 0 H ASP A 53 -0.614 0.429 12.002 1.00 0.00 H new ATOM 0 HA ASP A 53 0.258 1.063 9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.896 2.371 10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.530 2.501 11.442 1.00 0.00 H new ATOM 803 N GLY A 54 1.959 -0.674 8.850 1.00 0.00 N ATOM 804 CA GLY A 54 2.861 -1.771 8.550 1.00 0.00 C ATOM 805 C GLY A 54 3.508 -1.633 7.186 1.00 0.00 C ATOM 806 O GLY A 54 3.760 -0.522 6.719 1.00 0.00 O ATOM 0 H GLY A 54 1.726 -0.081 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.637 -1.818 9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.312 -2.712 8.595 1.00 0.00 H new ATOM 810 N LEU A 55 3.778 -2.765 6.545 1.00 0.00 N ATOM 811 CA LEU A 55 4.401 -2.767 5.226 1.00 0.00 C ATOM 812 C LEU A 55 3.426 -3.264 4.164 1.00 0.00 C ATOM 813 O LEU A 55 2.570 -4.106 4.438 1.00 0.00 O ATOM 814 CB LEU A 55 5.655 -3.644 5.234 1.00 0.00 C ATOM 815 CG LEU A 55 6.862 -3.082 5.986 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.922 -4.156 6.172 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.439 -1.883 5.248 1.00 0.00 C ATOM 0 H LEU A 55 3.575 -3.693 6.917 1.00 0.00 H new ATOM 0 HA LEU A 55 4.683 -1.743 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.397 -4.609 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.950 -3.831 4.201 1.00 0.00 H new ATOM 0 HG LEU A 55 6.531 -2.752 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.773 -3.738 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.504 -4.985 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.250 -4.517 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.297 -1.496 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.754 -2.187 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.679 -1.106 5.167 1.00 0.00 H new ATOM 829 N ILE A 56 3.563 -2.740 2.951 1.00 0.00 N ATOM 830 CA ILE A 56 2.697 -3.133 1.847 1.00 0.00 C ATOM 831 C ILE A 56 3.509 -3.455 0.597 1.00 0.00 C ATOM 832 O ILE A 56 4.325 -2.657 0.134 1.00 0.00 O ATOM 833 CB ILE A 56 1.677 -2.029 1.511 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.744 -1.787 2.700 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.878 -2.404 0.272 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.074 -0.431 2.677 1.00 0.00 C ATOM 0 H ILE A 56 4.266 -2.042 2.708 1.00 0.00 H new ATOM 0 HA ILE A 56 2.162 -4.026 2.170 1.00 0.00 H new ATOM 0 HB ILE A 56 2.219 -1.106 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.023 -2.562 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.313 -1.886 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.162 -1.614 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.555 -2.530 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.344 -3.337 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.572 -0.329 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.834 0.351 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.523 -0.336 1.770 1.00 0.00 H new ATOM 848 N PRO A 57 3.282 -4.652 0.036 1.00 0.00 N ATOM 849 CA PRO A 57 3.982 -5.107 -1.169 1.00 0.00 C ATOM 850 C PRO A 57 3.557 -4.333 -2.413 1.00 0.00 C ATOM 851 O PRO A 57 2.378 -4.027 -2.593 1.00 0.00 O ATOM 852 CB PRO A 57 3.569 -6.576 -1.286 1.00 0.00 C ATOM 853 CG PRO A 57 2.259 -6.658 -0.582 1.00 0.00 C ATOM 854 CD PRO A 57 2.325 -5.653 0.534 1.00 0.00 C ATOM 0 HA PRO A 57 5.059 -4.958 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.478 -6.880 -2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.307 -7.233 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.436 -6.434 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.087 -7.662 -0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.349 -5.211 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.666 -6.107 1.464 1.00 0.00 H new ATOM 862 N HIS A 58 4.525 -4.021 -3.269 1.00 0.00 N ATOM 863 CA HIS A 58 4.250 -3.283 -4.497 1.00 0.00 C ATOM 864 C HIS A 58 3.788 -4.226 -5.605 1.00 0.00 C ATOM 865 O HIS A 58 3.455 -3.788 -6.706 1.00 0.00 O ATOM 866 CB HIS A 58 5.495 -2.519 -4.948 1.00 0.00 C ATOM 867 CG HIS A 58 5.258 -1.634 -6.133 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.057 -0.274 -6.027 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.193 -1.921 -7.454 1.00 0.00 C ATOM 870 CE1 HIS A 58 4.876 0.237 -7.232 1.00 0.00 C ATOM 871 NE2 HIS A 58 4.955 -0.742 -8.116 1.00 0.00 N ATOM 0 H HIS A 58 5.506 -4.267 -3.135 1.00 0.00 H new ATOM 0 HA HIS A 58 3.451 -2.571 -4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.859 -1.912 -4.119 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.282 -3.233 -5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.307 -2.896 -7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.694 1.278 -7.456 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.855 -0.639 -9.126 1.00 0.00 H new ATOM 879 N GLN A 59 3.772 -5.521 -5.305 1.00 0.00 N ATOM 880 CA GLN A 59 3.353 -6.524 -6.276 1.00 0.00 C ATOM 881 C GLN A 59 1.864 -6.823 -6.142 1.00 0.00 C ATOM 882 O GLN A 59 1.210 -7.217 -7.108 1.00 0.00 O ATOM 883 CB GLN A 59 4.162 -7.810 -6.094 1.00 0.00 C ATOM 884 CG GLN A 59 5.604 -7.693 -6.562 1.00 0.00 C ATOM 885 CD GLN A 59 5.722 -7.071 -7.939 1.00 0.00 C ATOM 886 OE1 GLN A 59 4.891 -7.313 -8.816 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.757 -6.263 -8.138 1.00 0.00 N ATOM 0 H GLN A 59 4.044 -5.900 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 59 3.536 -6.126 -7.274 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.152 -8.090 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.675 -8.616 -6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.166 -7.093 -5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.059 -8.683 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.422 -6.090 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.887 -5.815 -9.045 1.00 0.00 H new ATOM 896 N TYR A 60 1.334 -6.633 -4.939 1.00 0.00 N ATOM 897 CA TYR A 60 -0.078 -6.886 -4.677 1.00 0.00 C ATOM 898 C TYR A 60 -0.842 -5.576 -4.503 1.00 0.00 C ATOM 899 O TYR A 60 -1.813 -5.507 -3.748 1.00 0.00 O ATOM 900 CB TYR A 60 -0.240 -7.754 -3.428 1.00 0.00 C ATOM 901 CG TYR A 60 0.361 -9.134 -3.568 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.735 -9.325 -3.500 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.446 -10.247 -3.767 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.289 -10.584 -3.628 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.099 -11.511 -3.894 1.00 0.00 C ATOM 906 CZ TYR A 60 1.466 -11.674 -3.825 1.00 0.00 C ATOM 907 OH TYR A 60 2.014 -12.930 -3.951 1.00 0.00 O ATOM 0 H TYR A 60 1.861 -6.305 -4.130 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.491 -7.416 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.225 -7.248 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.301 -7.851 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.382 -8.474 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.517 -10.123 -3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.360 -10.714 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.543 -12.366 -4.046 1.00 0.00 H new ATOM 0 HH TYR A 60 1.299 -13.587 -4.083 1.00 0.00 H new ATOM 917 N ILE A 61 -0.397 -4.541 -5.207 1.00 0.00 N ATOM 918 CA ILE A 61 -1.039 -3.235 -5.132 1.00 0.00 C ATOM 919 C ILE A 61 -0.680 -2.376 -6.340 1.00 0.00 C ATOM 920 O ILE A 61 0.369 -2.561 -6.957 1.00 0.00 O ATOM 921 CB ILE A 61 -0.642 -2.485 -3.847 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.852 -2.152 -3.866 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.989 -3.315 -2.620 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.163 -0.808 -4.487 1.00 0.00 C ATOM 0 H ILE A 61 0.405 -4.582 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.114 -3.412 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.203 -1.552 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.233 -2.168 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.382 -2.929 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.702 -2.771 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.062 -3.507 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.452 -4.263 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.239 -0.638 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.813 -0.794 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.661 -0.022 -3.923 1.00 0.00 H new ATOM 936 N VAL A 62 -1.558 -1.434 -6.672 1.00 0.00 N ATOM 937 CA VAL A 62 -1.332 -0.544 -7.804 1.00 0.00 C ATOM 938 C VAL A 62 -1.209 0.905 -7.348 1.00 0.00 C ATOM 939 O VAL A 62 -2.208 1.610 -7.204 1.00 0.00 O ATOM 940 CB VAL A 62 -2.470 -0.650 -8.837 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.235 0.310 -9.992 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.602 -2.080 -9.339 1.00 0.00 C ATOM 0 H VAL A 62 -2.432 -1.268 -6.173 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.397 -0.856 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.405 -0.372 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.049 0.220 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.196 1.332 -9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.291 0.067 -10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.411 -2.137 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.668 -2.388 -9.809 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.822 -2.741 -8.501 1.00 0.00 H new ATOM 952 N VAL A 63 0.025 1.345 -7.121 1.00 0.00 N ATOM 953 CA VAL A 63 0.281 2.712 -6.682 1.00 0.00 C ATOM 954 C VAL A 63 -0.220 3.722 -7.709 1.00 0.00 C ATOM 955 O VAL A 63 0.343 3.846 -8.796 1.00 0.00 O ATOM 956 CB VAL A 63 1.782 2.950 -6.434 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.034 4.394 -6.026 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.306 1.990 -5.377 1.00 0.00 C ATOM 0 H VAL A 63 0.863 0.775 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.261 2.851 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 63 2.320 2.761 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.100 4.543 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.697 5.061 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.485 4.614 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.368 2.172 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.764 2.145 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.161 0.964 -5.714 1.00 0.00 H new