USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 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 1 CYS N :NH3+ 173:sc= -0.116 (180deg=-0.17) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= -1.68 (180deg=-3.32!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 164:sc= 0.187 (180deg=0.0722) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 172:sc= -0.0228 (180deg=-0.17) USER MOD Single : C 1 CYS N :NH3+ 175:sc= -0.165 (180deg=-0.229) USER MOD Single : C 1 CYS SG : rot 180:sc= 0 USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00207) USER MOD Single : C 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 TYR OH : rot 147:sc= -0.463! USER MOD Single : D 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.157 4.902 -9.326 1.00 0.00 N ATOM 2 CA CYS A 1 3.209 4.796 -7.839 1.00 0.00 C ATOM 3 C CYS A 1 4.298 3.821 -7.420 1.00 0.00 C ATOM 4 O CYS A 1 4.387 3.424 -6.275 1.00 0.00 O ATOM 5 CB CYS A 1 1.834 4.271 -7.426 1.00 0.00 C ATOM 6 SG CYS A 1 0.927 5.567 -6.545 1.00 0.00 S ATOM 0 H1 CYS A 1 2.336 5.476 -9.605 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.028 5.352 -9.673 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.071 3.951 -9.739 1.00 0.00 H new ATOM 0 HA CYS A 1 3.437 5.752 -7.367 1.00 0.00 H new ATOM 0 HB2 CYS A 1 1.274 3.956 -8.307 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.945 3.394 -6.789 1.00 0.00 H new ATOM 13 N TYR A 2 5.136 3.443 -8.334 1.00 0.00 N ATOM 14 CA TYR A 2 6.227 2.509 -7.983 1.00 0.00 C ATOM 15 C TYR A 2 7.572 3.185 -8.275 1.00 0.00 C ATOM 16 O TYR A 2 8.576 2.863 -7.685 1.00 0.00 O ATOM 17 CB TYR A 2 5.998 1.279 -8.867 1.00 0.00 C ATOM 18 CG TYR A 2 6.733 1.461 -10.163 1.00 0.00 C ATOM 19 CD1 TYR A 2 8.114 1.277 -10.196 1.00 0.00 C ATOM 20 CD2 TYR A 2 6.045 1.841 -11.311 1.00 0.00 C ATOM 21 CE1 TYR A 2 8.817 1.470 -11.378 1.00 0.00 C ATOM 22 CE2 TYR A 2 6.741 2.033 -12.505 1.00 0.00 C ATOM 23 CZ TYR A 2 8.132 1.848 -12.542 1.00 0.00 C ATOM 24 OH TYR A 2 8.824 2.040 -13.720 1.00 0.00 O ATOM 0 H TYR A 2 5.112 3.741 -9.309 1.00 0.00 H new ATOM 0 HA TYR A 2 6.238 2.226 -6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 2 6.349 0.381 -8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 2 4.933 1.144 -9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 2 8.639 0.983 -9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.975 1.987 -11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.888 1.329 -11.401 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.210 2.324 -13.400 1.00 0.00 H new ATOM 0 HH TYR A 2 8.198 2.298 -14.429 1.00 0.00 H new ATOM 34 N LEU A 3 7.592 4.128 -9.187 1.00 0.00 N ATOM 35 CA LEU A 3 8.869 4.829 -9.494 1.00 0.00 C ATOM 36 C LEU A 3 9.539 5.166 -8.176 1.00 0.00 C ATOM 37 O LEU A 3 10.661 4.796 -7.911 1.00 0.00 O ATOM 38 CB LEU A 3 8.462 6.097 -10.229 1.00 0.00 C ATOM 39 CG LEU A 3 8.490 5.851 -11.723 1.00 0.00 C ATOM 40 CD1 LEU A 3 7.596 4.659 -12.056 1.00 0.00 C ATOM 41 CD2 LEU A 3 7.986 7.093 -12.456 1.00 0.00 C ATOM 0 H LEU A 3 6.783 4.437 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 3 9.561 4.237 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.463 6.404 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.139 6.911 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 3 9.511 5.638 -12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.614 4.480 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.960 3.774 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.574 4.871 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.007 6.914 -13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.964 7.310 -12.144 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.627 7.942 -12.217 1.00 0.00 H new ATOM 53 N ARG A 4 8.817 5.828 -7.328 1.00 0.00 N ATOM 54 CA ARG A 4 9.363 6.161 -5.986 1.00 0.00 C ATOM 55 C ARG A 4 10.016 4.898 -5.427 1.00 0.00 C ATOM 56 O ARG A 4 11.059 4.938 -4.806 1.00 0.00 O ATOM 57 CB ARG A 4 8.159 6.562 -5.112 1.00 0.00 C ATOM 58 CG ARG A 4 7.108 7.322 -5.935 1.00 0.00 C ATOM 59 CD ARG A 4 5.958 6.375 -6.320 1.00 0.00 C ATOM 60 NE ARG A 4 4.953 7.252 -6.986 1.00 0.00 N ATOM 61 CZ ARG A 4 4.356 8.194 -6.308 1.00 0.00 C ATOM 62 NH1 ARG A 4 4.460 8.231 -5.008 1.00 0.00 N ATOM 63 NH2 ARG A 4 3.653 9.100 -6.931 1.00 0.00 N ATOM 0 H ARG A 4 7.867 6.156 -7.504 1.00 0.00 H new ATOM 0 HA ARG A 4 10.097 6.966 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.709 5.670 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.498 7.185 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.721 8.163 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.566 7.735 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.301 5.587 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.537 5.886 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 4 4.732 7.116 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.009 7.523 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.993 8.968 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.570 9.072 -7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.186 9.836 -6.402 1.00 0.00 H new ATOM 77 N ARG A 5 9.397 3.773 -5.668 1.00 0.00 N ATOM 78 CA ARG A 5 9.957 2.478 -5.184 1.00 0.00 C ATOM 79 C ARG A 5 11.110 2.025 -6.089 1.00 0.00 C ATOM 80 O ARG A 5 12.114 1.528 -5.622 1.00 0.00 O ATOM 81 CB ARG A 5 8.773 1.507 -5.221 1.00 0.00 C ATOM 82 CG ARG A 5 9.218 0.083 -5.543 1.00 0.00 C ATOM 83 CD ARG A 5 9.356 -0.074 -7.050 1.00 0.00 C ATOM 84 NE ARG A 5 10.776 -0.450 -7.233 1.00 0.00 N ATOM 85 CZ ARG A 5 11.160 -1.069 -8.317 1.00 0.00 C ATOM 86 NH1 ARG A 5 10.334 -1.209 -9.318 1.00 0.00 N ATOM 87 NH2 ARG A 5 12.372 -1.549 -8.400 1.00 0.00 N ATOM 0 H ARG A 5 8.520 3.696 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 5 10.381 2.543 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.263 1.519 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.053 1.840 -5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.169 -0.132 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.493 -0.633 -5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.685 -0.842 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.116 0.852 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 5 11.458 -0.225 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.387 -0.835 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.635 -1.693 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.018 -1.440 -7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.672 -2.033 -9.246 1.00 0.00 H new ATOM 101 N PHE A 6 10.985 2.204 -7.376 1.00 0.00 N ATOM 102 CA PHE A 6 12.089 1.791 -8.289 1.00 0.00 C ATOM 103 C PHE A 6 13.217 2.832 -8.238 1.00 0.00 C ATOM 104 O PHE A 6 14.375 2.504 -8.073 1.00 0.00 O ATOM 105 CB PHE A 6 11.434 1.704 -9.674 1.00 0.00 C ATOM 106 CG PHE A 6 12.266 2.382 -10.720 1.00 0.00 C ATOM 107 CD1 PHE A 6 12.088 3.741 -10.973 1.00 0.00 C ATOM 108 CD2 PHE A 6 13.205 1.647 -11.440 1.00 0.00 C ATOM 109 CE1 PHE A 6 12.853 4.369 -11.950 1.00 0.00 C ATOM 110 CE2 PHE A 6 13.972 2.272 -12.418 1.00 0.00 C ATOM 111 CZ PHE A 6 13.800 3.637 -12.678 1.00 0.00 C ATOM 0 H PHE A 6 10.171 2.616 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 6 12.547 0.840 -8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.290 0.658 -9.944 1.00 0.00 H new ATOM 0 HB3 PHE A 6 10.446 2.163 -9.640 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.358 4.305 -10.412 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.337 0.594 -11.239 1.00 0.00 H new ATOM 0 HE1 PHE A 6 12.717 5.422 -12.148 1.00 0.00 H new ATOM 0 HE2 PHE A 6 14.701 1.704 -12.977 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.395 4.124 -13.437 1.00 0.00 H new ATOM 121 N PHE A 7 12.881 4.085 -8.381 1.00 0.00 N ATOM 122 CA PHE A 7 13.909 5.151 -8.344 1.00 0.00 C ATOM 123 C PHE A 7 14.657 5.138 -7.013 1.00 0.00 C ATOM 124 O PHE A 7 15.858 5.317 -6.967 1.00 0.00 O ATOM 125 CB PHE A 7 13.126 6.440 -8.515 1.00 0.00 C ATOM 126 CG PHE A 7 13.538 7.092 -9.806 1.00 0.00 C ATOM 127 CD1 PHE A 7 14.876 7.432 -10.014 1.00 0.00 C ATOM 128 CD2 PHE A 7 12.585 7.348 -10.799 1.00 0.00 C ATOM 129 CE1 PHE A 7 15.268 8.029 -11.214 1.00 0.00 C ATOM 130 CE2 PHE A 7 12.975 7.947 -12.001 1.00 0.00 C ATOM 131 CZ PHE A 7 14.318 8.287 -12.209 1.00 0.00 C ATOM 0 H PHE A 7 11.926 4.414 -8.523 1.00 0.00 H new ATOM 0 HA PHE A 7 14.667 5.023 -9.117 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.056 6.233 -8.522 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.316 7.110 -7.677 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.609 7.233 -9.246 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.551 7.083 -10.637 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.303 8.291 -11.374 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.242 8.147 -12.768 1.00 0.00 H new ATOM 0 HZ PHE A 7 14.620 8.748 -13.137 1.00 0.00 H new ATOM 141 N LYS A 8 13.964 4.926 -5.927 1.00 0.00 N ATOM 142 CA LYS A 8 14.652 4.898 -4.610 1.00 0.00 C ATOM 143 C LYS A 8 15.941 4.089 -4.723 1.00 0.00 C ATOM 144 O LYS A 8 16.899 4.320 -4.013 1.00 0.00 O ATOM 145 CB LYS A 8 13.672 4.228 -3.661 1.00 0.00 C ATOM 146 CG LYS A 8 13.288 5.204 -2.546 1.00 0.00 C ATOM 147 CD LYS A 8 12.455 4.472 -1.489 1.00 0.00 C ATOM 148 CE LYS A 8 10.967 4.710 -1.756 1.00 0.00 C ATOM 149 NZ LYS A 8 10.403 3.355 -2.012 1.00 0.00 N ATOM 0 H LYS A 8 12.956 4.772 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 8 14.927 5.893 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.781 3.913 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.119 3.330 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.185 5.623 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.720 6.038 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.673 3.404 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.718 4.828 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.483 5.185 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.819 5.368 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.566 3.437 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.119 2.764 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.130 2.916 -1.109 1.00 0.00 H new ATOM 163 N ALA A 9 15.973 3.152 -5.630 1.00 0.00 N ATOM 164 CA ALA A 9 17.195 2.339 -5.816 1.00 0.00 C ATOM 165 C ALA A 9 18.155 3.099 -6.726 1.00 0.00 C ATOM 166 O ALA A 9 19.357 3.071 -6.551 1.00 0.00 O ATOM 167 CB ALA A 9 16.721 1.045 -6.479 1.00 0.00 C ATOM 0 H ALA A 9 15.198 2.918 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 9 17.718 2.131 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.575 0.389 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.003 0.545 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.246 1.277 -7.432 1.00 0.00 H new ATOM 173 N LYS A 10 17.621 3.794 -7.689 1.00 0.00 N ATOM 174 CA LYS A 10 18.471 4.579 -8.609 1.00 0.00 C ATOM 175 C LYS A 10 19.337 5.549 -7.808 1.00 0.00 C ATOM 176 O LYS A 10 20.551 5.482 -7.835 1.00 0.00 O ATOM 177 CB LYS A 10 17.474 5.331 -9.477 1.00 0.00 C ATOM 178 CG LYS A 10 18.094 5.680 -10.830 1.00 0.00 C ATOM 179 CD LYS A 10 18.728 4.432 -11.442 1.00 0.00 C ATOM 180 CE LYS A 10 18.524 4.444 -12.957 1.00 0.00 C ATOM 181 NZ LYS A 10 19.794 3.906 -13.518 1.00 0.00 N ATOM 0 H LYS A 10 16.620 3.849 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 10 19.151 3.965 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.582 4.723 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.157 6.243 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.331 6.078 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.847 6.459 -10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.792 4.401 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.281 3.536 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.672 3.828 -13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.327 5.452 -13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.733 3.883 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.586 4.516 -13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.952 2.943 -13.159 1.00 0.00 H new ATOM 195 N LYS A 11 18.721 6.447 -7.090 1.00 0.00 N ATOM 196 CA LYS A 11 19.506 7.421 -6.282 1.00 0.00 C ATOM 197 C LYS A 11 20.635 6.708 -5.532 1.00 0.00 C ATOM 198 O LYS A 11 21.719 7.233 -5.372 1.00 0.00 O ATOM 199 CB LYS A 11 18.503 8.013 -5.292 1.00 0.00 C ATOM 200 CG LYS A 11 17.455 8.826 -6.052 1.00 0.00 C ATOM 201 CD LYS A 11 17.962 10.256 -6.235 1.00 0.00 C ATOM 202 CE LYS A 11 17.049 11.003 -7.209 1.00 0.00 C ATOM 203 NZ LYS A 11 17.712 10.871 -8.536 1.00 0.00 N ATOM 0 H LYS A 11 17.708 6.548 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 11 19.972 8.186 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.020 7.216 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.019 8.648 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.258 8.371 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.513 8.829 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.984 10.770 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.984 10.245 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.049 10.571 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.940 12.050 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.144 11.359 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.660 11.297 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.796 9.864 -8.784 1.00 0.00 H new ATOM 217 N LEU A 12 20.381 5.520 -5.059 1.00 0.00 N ATOM 218 CA LEU A 12 21.423 4.775 -4.307 1.00 0.00 C ATOM 219 C LEU A 12 22.604 4.416 -5.212 1.00 0.00 C ATOM 220 O LEU A 12 23.621 3.932 -4.754 1.00 0.00 O ATOM 221 CB LEU A 12 20.722 3.510 -3.813 1.00 0.00 C ATOM 222 CG LEU A 12 19.749 3.876 -2.693 1.00 0.00 C ATOM 223 CD1 LEU A 12 19.111 2.604 -2.136 1.00 0.00 C ATOM 224 CD2 LEU A 12 20.505 4.597 -1.576 1.00 0.00 C ATOM 0 H LEU A 12 19.491 5.032 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 12 21.833 5.367 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.187 3.033 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.457 2.791 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 12 18.971 4.530 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.417 2.865 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.572 2.089 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.888 1.950 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.811 4.858 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.283 3.943 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 12 20.961 5.505 -1.972 1.00 0.00 H new ATOM 236 N ILE A 13 22.483 4.642 -6.491 1.00 0.00 N ATOM 237 CA ILE A 13 23.608 4.302 -7.411 1.00 0.00 C ATOM 238 C ILE A 13 23.729 5.336 -8.514 1.00 0.00 C ATOM 239 O ILE A 13 23.944 5.025 -9.669 1.00 0.00 O ATOM 240 CB ILE A 13 23.310 2.916 -8.001 1.00 0.00 C ATOM 241 CG1 ILE A 13 21.800 2.643 -8.058 1.00 0.00 C ATOM 242 CG2 ILE A 13 23.981 1.843 -7.144 1.00 0.00 C ATOM 243 CD1 ILE A 13 21.290 2.906 -9.476 1.00 0.00 C ATOM 0 H ILE A 13 21.660 5.045 -6.938 1.00 0.00 H new ATOM 0 HA ILE A 13 24.555 4.294 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 13 23.702 2.890 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 13 21.595 1.612 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.277 3.282 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 13 23.770 0.859 -7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.058 2.008 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 13 23.594 1.895 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.218 2.713 -9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.483 3.945 -9.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 21.805 2.248 -10.176 1.00 0.00 H new ATOM 255 N GLU A 14 23.583 6.561 -8.151 1.00 0.00 N ATOM 256 CA GLU A 14 23.671 7.653 -9.128 1.00 0.00 C ATOM 257 C GLU A 14 24.795 8.625 -8.757 1.00 0.00 C ATOM 258 O GLU A 14 25.594 8.277 -7.902 1.00 0.00 O ATOM 259 CB GLU A 14 22.318 8.313 -9.005 1.00 0.00 C ATOM 260 CG GLU A 14 21.258 7.323 -9.469 1.00 0.00 C ATOM 261 CD GLU A 14 20.821 7.669 -10.892 1.00 0.00 C ATOM 262 OE1 GLU A 14 20.572 8.835 -11.146 1.00 0.00 O ATOM 263 OE2 GLU A 14 20.742 6.762 -11.704 1.00 0.00 O ATOM 264 OXT GLU A 14 24.837 9.699 -9.334 1.00 0.00 O ATOM 0 H GLU A 14 23.402 6.859 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 14 23.898 7.318 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.133 8.611 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.281 9.219 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.655 6.308 -9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.400 7.352 -8.797 1.00 0.00 H new ATOM 272 N CYS B 1 0.526 4.744 -1.677 1.00 0.00 N ATOM 273 CA CYS B 1 1.716 4.246 -2.428 1.00 0.00 C ATOM 274 C CYS B 1 2.973 4.413 -1.594 1.00 0.00 C ATOM 275 O CYS B 1 3.915 5.074 -1.986 1.00 0.00 O ATOM 276 CB CYS B 1 1.788 5.111 -3.684 1.00 0.00 C ATOM 277 SG CYS B 1 0.415 4.705 -4.790 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.268 4.879 -2.335 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.259 4.050 -0.950 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.757 5.650 -1.222 1.00 0.00 H new ATOM 0 HA CYS B 1 1.634 3.186 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS B 1 1.748 6.166 -3.412 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.738 4.949 -4.194 1.00 0.00 H new ATOM 284 N TYR B 2 2.997 3.807 -0.453 1.00 0.00 N ATOM 285 CA TYR B 2 4.188 3.905 0.415 1.00 0.00 C ATOM 286 C TYR B 2 4.016 2.947 1.596 1.00 0.00 C ATOM 287 O TYR B 2 4.968 2.358 2.064 1.00 0.00 O ATOM 288 CB TYR B 2 4.254 5.381 0.836 1.00 0.00 C ATOM 289 CG TYR B 2 3.688 5.553 2.218 1.00 0.00 C ATOM 290 CD1 TYR B 2 4.397 5.064 3.314 1.00 0.00 C ATOM 291 CD2 TYR B 2 2.455 6.177 2.398 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.881 5.197 4.595 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.931 6.319 3.684 1.00 0.00 C ATOM 294 CZ TYR B 2 2.643 5.827 4.790 1.00 0.00 C ATOM 295 OH TYR B 2 2.126 5.962 6.062 1.00 0.00 O ATOM 0 H TYR B 2 2.235 3.242 -0.080 1.00 0.00 H new ATOM 0 HA TYR B 2 5.120 3.619 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR B 2 5.287 5.727 0.813 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.696 5.994 0.128 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.351 4.580 3.166 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.907 6.549 1.545 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.432 4.816 5.442 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.978 6.807 3.828 1.00 0.00 H new ATOM 0 HH TYR B 2 1.262 6.422 6.017 1.00 0.00 H new ATOM 305 N LEU B 3 2.798 2.767 2.069 1.00 0.00 N ATOM 306 CA LEU B 3 2.577 1.816 3.192 1.00 0.00 C ATOM 307 C LEU B 3 3.398 0.577 2.898 1.00 0.00 C ATOM 308 O LEU B 3 4.317 0.237 3.606 1.00 0.00 O ATOM 309 CB LEU B 3 1.094 1.485 3.152 1.00 0.00 C ATOM 310 CG LEU B 3 0.333 2.414 4.074 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.640 3.861 3.704 1.00 0.00 C ATOM 312 CD2 LEU B 3 -1.166 2.159 3.928 1.00 0.00 C ATOM 0 H LEU B 3 1.961 3.237 1.723 1.00 0.00 H new ATOM 0 HA LEU B 3 2.862 2.212 4.167 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.718 1.582 2.133 1.00 0.00 H new ATOM 0 HB3 LEU B 3 0.935 0.450 3.453 1.00 0.00 H new ATOM 0 HG LEU B 3 0.635 2.231 5.105 1.00 0.00 H new ATOM 0 HD11 LEU B 3 0.092 4.530 4.368 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.710 4.044 3.807 1.00 0.00 H new ATOM 0 HD13 LEU B 3 0.338 4.045 2.673 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.715 2.827 4.591 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -1.468 2.343 2.897 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -1.386 1.125 4.191 1.00 0.00 H new ATOM 324 N ARG B 4 3.087 -0.054 1.803 1.00 0.00 N ATOM 325 CA ARG B 4 3.859 -1.251 1.364 1.00 0.00 C ATOM 326 C ARG B 4 5.331 -1.023 1.696 1.00 0.00 C ATOM 327 O ARG B 4 6.017 -1.896 2.182 1.00 0.00 O ATOM 328 CB ARG B 4 3.686 -1.331 -0.165 1.00 0.00 C ATOM 329 CG ARG B 4 2.265 -0.925 -0.591 1.00 0.00 C ATOM 330 CD ARG B 4 2.225 0.548 -1.058 1.00 0.00 C ATOM 331 NE ARG B 4 3.485 0.780 -1.815 1.00 0.00 N ATOM 332 CZ ARG B 4 3.547 0.485 -3.085 1.00 0.00 C ATOM 333 NH1 ARG B 4 3.847 -0.729 -3.460 1.00 0.00 N ATOM 334 NH2 ARG B 4 3.308 1.404 -3.981 1.00 0.00 N ATOM 0 H ARG B 4 2.321 0.211 1.184 1.00 0.00 H new ATOM 0 HA ARG B 4 3.520 -2.165 1.851 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.413 -0.679 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG B 4 3.893 -2.346 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG B 4 1.924 -1.575 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG B 4 1.578 -1.064 0.244 1.00 0.00 H new ATOM 0 HD2 ARG B 4 1.354 0.733 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG B 4 2.153 1.224 -0.206 1.00 0.00 H new ATOM 0 HE ARG B 4 4.300 1.170 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG B 4 4.033 -1.448 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG B 4 3.895 -0.959 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG B 4 3.073 2.352 -3.689 1.00 0.00 H new ATOM 0 HH22 ARG B 4 3.356 1.174 -4.973 1.00 0.00 H new ATOM 348 N ARG B 5 5.809 0.169 1.443 1.00 0.00 N ATOM 349 CA ARG B 5 7.233 0.486 1.752 1.00 0.00 C ATOM 350 C ARG B 5 7.414 0.685 3.259 1.00 0.00 C ATOM 351 O ARG B 5 8.229 0.041 3.888 1.00 0.00 O ATOM 352 CB ARG B 5 7.524 1.769 0.968 1.00 0.00 C ATOM 353 CG ARG B 5 8.489 2.682 1.734 1.00 0.00 C ATOM 354 CD ARG B 5 7.691 3.746 2.491 1.00 0.00 C ATOM 355 NE ARG B 5 8.313 5.041 2.101 1.00 0.00 N ATOM 356 CZ ARG B 5 7.834 6.164 2.564 1.00 0.00 C ATOM 357 NH1 ARG B 5 7.401 6.234 3.793 1.00 0.00 N ATOM 358 NH2 ARG B 5 7.789 7.218 1.797 1.00 0.00 N ATOM 0 H ARG B 5 5.273 0.935 1.036 1.00 0.00 H new ATOM 0 HA ARG B 5 7.918 -0.314 1.471 1.00 0.00 H new ATOM 0 HB2 ARG B 5 7.952 1.516 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG B 5 6.592 2.300 0.776 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.086 2.095 2.432 1.00 0.00 H new ATOM 0 HG3 ARG B 5 9.184 3.157 1.042 1.00 0.00 H new ATOM 0 HD2 ARG B 5 6.636 3.717 2.219 1.00 0.00 H new ATOM 0 HD3 ARG B 5 7.747 3.590 3.568 1.00 0.00 H new ATOM 0 HE ARG B 5 9.115 5.051 1.471 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.436 5.411 4.394 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.027 7.112 4.153 1.00 0.00 H new ATOM 0 HH21 ARG B 5 8.128 7.165 0.836 1.00 0.00 H new ATOM 0 HH22 ARG B 5 7.415 8.096 2.158 1.00 0.00 H new ATOM 372 N PHE B 6 6.660 1.572 3.838 1.00 0.00 N ATOM 373 CA PHE B 6 6.783 1.814 5.299 1.00 0.00 C ATOM 374 C PHE B 6 6.466 0.523 6.064 1.00 0.00 C ATOM 375 O PHE B 6 7.142 0.163 7.008 1.00 0.00 O ATOM 376 CB PHE B 6 5.759 2.908 5.580 1.00 0.00 C ATOM 377 CG PHE B 6 5.167 2.749 6.939 1.00 0.00 C ATOM 378 CD1 PHE B 6 5.955 2.975 8.062 1.00 0.00 C ATOM 379 CD2 PHE B 6 3.831 2.388 7.071 1.00 0.00 C ATOM 380 CE1 PHE B 6 5.403 2.841 9.332 1.00 0.00 C ATOM 381 CE2 PHE B 6 3.273 2.250 8.338 1.00 0.00 C ATOM 382 CZ PHE B 6 4.058 2.477 9.476 1.00 0.00 C ATOM 0 H PHE B 6 5.961 2.142 3.361 1.00 0.00 H new ATOM 0 HA PHE B 6 7.784 2.113 5.611 1.00 0.00 H new ATOM 0 HB2 PHE B 6 6.234 3.886 5.499 1.00 0.00 H new ATOM 0 HB3 PHE B 6 4.970 2.874 4.829 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.992 3.254 7.949 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.228 2.215 6.192 1.00 0.00 H new ATOM 0 HE1 PHE B 6 6.011 3.018 10.207 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.236 1.968 8.444 1.00 0.00 H new ATOM 0 HZ PHE B 6 3.628 2.372 10.461 1.00 0.00 H new ATOM 392 N PHE B 7 5.441 -0.170 5.656 1.00 0.00 N ATOM 393 CA PHE B 7 5.065 -1.429 6.338 1.00 0.00 C ATOM 394 C PHE B 7 6.179 -2.463 6.205 1.00 0.00 C ATOM 395 O PHE B 7 6.657 -3.005 7.182 1.00 0.00 O ATOM 396 CB PHE B 7 3.810 -1.894 5.624 1.00 0.00 C ATOM 397 CG PHE B 7 2.715 -2.066 6.637 1.00 0.00 C ATOM 398 CD1 PHE B 7 2.873 -2.988 7.674 1.00 0.00 C ATOM 399 CD2 PHE B 7 1.550 -1.297 6.547 1.00 0.00 C ATOM 400 CE1 PHE B 7 1.865 -3.147 8.625 1.00 0.00 C ATOM 401 CE2 PHE B 7 0.538 -1.457 7.499 1.00 0.00 C ATOM 402 CZ PHE B 7 0.694 -2.383 8.540 1.00 0.00 C ATOM 0 H PHE B 7 4.844 0.089 4.870 1.00 0.00 H new ATOM 0 HA PHE B 7 4.901 -1.289 7.406 1.00 0.00 H new ATOM 0 HB2 PHE B 7 3.514 -1.167 4.868 1.00 0.00 H new ATOM 0 HB3 PHE B 7 3.997 -2.835 5.106 1.00 0.00 H new ATOM 0 HD1 PHE B 7 3.775 -3.578 7.740 1.00 0.00 H new ATOM 0 HD2 PHE B 7 1.432 -0.583 5.746 1.00 0.00 H new ATOM 0 HE1 PHE B 7 1.987 -3.860 9.427 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -0.364 -0.867 7.432 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.087 -2.507 9.275 1.00 0.00 H new ATOM 412 N LYS B 8 6.602 -2.738 5.003 1.00 0.00 N ATOM 413 CA LYS B 8 7.686 -3.726 4.806 1.00 0.00 C ATOM 414 C LYS B 8 8.857 -3.410 5.733 1.00 0.00 C ATOM 415 O LYS B 8 9.669 -4.259 6.038 1.00 0.00 O ATOM 416 CB LYS B 8 8.082 -3.555 3.352 1.00 0.00 C ATOM 417 CG LYS B 8 7.375 -4.602 2.492 1.00 0.00 C ATOM 418 CD LYS B 8 5.894 -4.694 2.876 1.00 0.00 C ATOM 419 CE LYS B 8 5.683 -5.873 3.829 1.00 0.00 C ATOM 420 NZ LYS B 8 4.847 -6.843 3.068 1.00 0.00 N ATOM 0 H LYS B 8 6.239 -2.317 4.148 1.00 0.00 H new ATOM 0 HA LYS B 8 7.380 -4.748 5.032 1.00 0.00 H new ATOM 0 HB2 LYS B 8 7.819 -2.554 3.010 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.162 -3.655 3.246 1.00 0.00 H new ATOM 0 HG2 LYS B 8 7.469 -4.340 1.438 1.00 0.00 H new ATOM 0 HG3 LYS B 8 7.853 -5.573 2.623 1.00 0.00 H new ATOM 0 HD2 LYS B 8 5.573 -3.767 3.351 1.00 0.00 H new ATOM 0 HD3 LYS B 8 5.283 -4.822 1.982 1.00 0.00 H new ATOM 0 HE2 LYS B 8 6.634 -6.318 4.122 1.00 0.00 H new ATOM 0 HE3 LYS B 8 5.184 -5.555 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 4.661 -7.679 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 3.945 -6.395 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 5.350 -7.133 2.206 1.00 0.00 H new ATOM 434 N ALA B 9 8.944 -2.191 6.188 1.00 0.00 N ATOM 435 CA ALA B 9 10.048 -1.813 7.097 1.00 0.00 C ATOM 436 C ALA B 9 9.675 -2.182 8.529 1.00 0.00 C ATOM 437 O ALA B 9 10.514 -2.534 9.335 1.00 0.00 O ATOM 438 CB ALA B 9 10.182 -0.298 6.948 1.00 0.00 C ATOM 0 H ALA B 9 8.291 -1.440 5.965 1.00 0.00 H new ATOM 0 HA ALA B 9 10.982 -2.324 6.862 1.00 0.00 H new ATOM 0 HB1 ALA B 9 10.984 0.062 7.593 1.00 0.00 H new ATOM 0 HB2 ALA B 9 10.413 -0.053 5.911 1.00 0.00 H new ATOM 0 HB3 ALA B 9 9.245 0.180 7.233 1.00 0.00 H new ATOM 444 N LYS B 10 8.414 -2.106 8.846 1.00 0.00 N ATOM 445 CA LYS B 10 7.957 -2.446 10.199 1.00 0.00 C ATOM 446 C LYS B 10 8.055 -3.956 10.425 1.00 0.00 C ATOM 447 O LYS B 10 8.782 -4.419 11.281 1.00 0.00 O ATOM 448 CB LYS B 10 6.518 -1.980 10.204 1.00 0.00 C ATOM 449 CG LYS B 10 6.243 -1.169 11.466 1.00 0.00 C ATOM 450 CD LYS B 10 5.314 -1.960 12.378 1.00 0.00 C ATOM 451 CE LYS B 10 3.866 -1.546 12.116 1.00 0.00 C ATOM 452 NZ LYS B 10 3.059 -2.312 13.107 1.00 0.00 N ATOM 0 H LYS B 10 7.675 -1.816 8.205 1.00 0.00 H new ATOM 0 HA LYS B 10 8.549 -1.987 10.991 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.319 -1.374 9.320 1.00 0.00 H new ATOM 0 HB3 LYS B 10 5.848 -2.838 10.159 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.178 -0.949 11.982 1.00 0.00 H new ATOM 0 HG3 LYS B 10 5.789 -0.213 11.206 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.436 -3.028 12.200 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.572 -1.780 13.422 1.00 0.00 H new ATOM 0 HE2 LYS B 10 3.733 -0.472 12.245 1.00 0.00 H new ATOM 0 HE3 LYS B 10 3.566 -1.784 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 2.052 -2.080 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.200 -3.331 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.361 -2.060 14.070 1.00 0.00 H new ATOM 466 N LYS B 11 7.336 -4.731 9.660 1.00 0.00 N ATOM 467 CA LYS B 11 7.396 -6.206 9.835 1.00 0.00 C ATOM 468 C LYS B 11 8.855 -6.666 9.929 1.00 0.00 C ATOM 469 O LYS B 11 9.165 -7.660 10.554 1.00 0.00 O ATOM 470 CB LYS B 11 6.727 -6.782 8.586 1.00 0.00 C ATOM 471 CG LYS B 11 5.223 -6.924 8.832 1.00 0.00 C ATOM 472 CD LYS B 11 4.945 -8.248 9.547 1.00 0.00 C ATOM 473 CE LYS B 11 4.361 -9.254 8.552 1.00 0.00 C ATOM 474 NZ LYS B 11 5.535 -10.012 8.038 1.00 0.00 N ATOM 0 H LYS B 11 6.711 -4.405 8.923 1.00 0.00 H new ATOM 0 HA LYS B 11 6.900 -6.536 10.748 1.00 0.00 H new ATOM 0 HB2 LYS B 11 6.906 -6.130 7.731 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.160 -7.753 8.343 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.862 -6.090 9.435 1.00 0.00 H new ATOM 0 HG3 LYS B 11 4.684 -6.890 7.885 1.00 0.00 H new ATOM 0 HD2 LYS B 11 5.866 -8.640 9.979 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.249 -8.089 10.371 1.00 0.00 H new ATOM 0 HE2 LYS B 11 3.644 -9.917 9.036 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.833 -8.749 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 5.206 -10.808 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 6.129 -9.383 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.091 -10.375 8.838 1.00 0.00 H new ATOM 488 N LEU B 12 9.752 -5.950 9.304 1.00 0.00 N ATOM 489 CA LEU B 12 11.185 -6.340 9.345 1.00 0.00 C ATOM 490 C LEU B 12 11.763 -6.174 10.756 1.00 0.00 C ATOM 491 O LEU B 12 12.824 -6.683 11.061 1.00 0.00 O ATOM 492 CB LEU B 12 11.879 -5.396 8.365 1.00 0.00 C ATOM 493 CG LEU B 12 11.674 -5.902 6.937 1.00 0.00 C ATOM 494 CD1 LEU B 12 12.168 -4.846 5.950 1.00 0.00 C ATOM 495 CD2 LEU B 12 12.463 -7.199 6.729 1.00 0.00 C ATOM 0 H LEU B 12 9.549 -5.108 8.765 1.00 0.00 H new ATOM 0 HA LEU B 12 11.326 -7.388 9.079 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.475 -4.389 8.467 1.00 0.00 H new ATOM 0 HB3 LEU B 12 12.943 -5.337 8.592 1.00 0.00 H new ATOM 0 HG LEU B 12 10.614 -6.094 6.771 1.00 0.00 H new ATOM 0 HD11 LEU B 12 12.023 -5.204 4.931 1.00 0.00 H new ATOM 0 HD12 LEU B 12 11.606 -3.923 6.093 1.00 0.00 H new ATOM 0 HD13 LEU B 12 13.228 -4.656 6.120 1.00 0.00 H new ATOM 0 HD21 LEU B 12 12.314 -7.556 5.710 1.00 0.00 H new ATOM 0 HD22 LEU B 12 13.524 -7.011 6.896 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.114 -7.954 7.433 1.00 0.00 H new ATOM 507 N ILE B 13 11.081 -5.471 11.622 1.00 0.00 N ATOM 508 CA ILE B 13 11.612 -5.288 13.008 1.00 0.00 C ATOM 509 C ILE B 13 10.485 -5.228 14.022 1.00 0.00 C ATOM 510 O ILE B 13 10.439 -4.366 14.878 1.00 0.00 O ATOM 511 CB ILE B 13 12.403 -3.974 13.007 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.733 -2.929 12.108 1.00 0.00 C ATOM 513 CG2 ILE B 13 13.825 -4.229 12.507 1.00 0.00 C ATOM 514 CD1 ILE B 13 11.129 -1.824 12.977 1.00 0.00 C ATOM 0 H ILE B 13 10.187 -5.019 11.433 1.00 0.00 H new ATOM 0 HA ILE B 13 12.245 -6.129 13.290 1.00 0.00 H new ATOM 0 HB ILE B 13 12.428 -3.592 14.028 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.462 -2.506 11.417 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.956 -3.397 11.504 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.384 -3.293 12.508 1.00 0.00 H new ATOM 0 HG22 ILE B 13 14.318 -4.947 13.163 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.788 -4.629 11.494 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.652 -1.080 12.339 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.387 -2.255 13.650 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.917 -1.349 13.562 1.00 0.00 H new ATOM 526 N GLU B 14 9.572 -6.135 13.920 1.00 0.00 N ATOM 527 CA GLU B 14 8.430 -6.160 14.845 1.00 0.00 C ATOM 528 C GLU B 14 8.208 -7.574 15.389 1.00 0.00 C ATOM 529 O GLU B 14 9.086 -8.401 15.208 1.00 0.00 O ATOM 530 CB GLU B 14 7.279 -5.722 13.964 1.00 0.00 C ATOM 531 CG GLU B 14 7.530 -4.288 13.514 1.00 0.00 C ATOM 532 CD GLU B 14 6.907 -3.317 14.517 1.00 0.00 C ATOM 533 OE1 GLU B 14 5.791 -3.569 14.940 1.00 0.00 O ATOM 534 OE2 GLU B 14 7.557 -2.338 14.846 1.00 0.00 O ATOM 535 OXT GLU B 14 7.164 -7.805 15.978 1.00 0.00 O ATOM 0 H GLU B 14 9.571 -6.875 13.218 1.00 0.00 H new ATOM 0 HA GLU B 14 8.561 -5.527 15.723 1.00 0.00 H new ATOM 0 HB2 GLU B 14 7.193 -6.380 13.099 1.00 0.00 H new ATOM 0 HB3 GLU B 14 6.338 -5.788 14.510 1.00 0.00 H new ATOM 0 HG2 GLU B 14 8.601 -4.104 13.433 1.00 0.00 H new ATOM 0 HG3 GLU B 14 7.103 -4.127 12.524 1.00 0.00 H new ATOM 543 N CYS C 1 23.319 -4.073 8.950 1.00 0.00 N ATOM 544 CA CYS C 1 23.151 -3.644 7.531 1.00 0.00 C ATOM 545 C CYS C 1 21.682 -3.365 7.227 1.00 0.00 C ATOM 546 O CYS C 1 21.288 -3.232 6.086 1.00 0.00 O ATOM 547 CB CYS C 1 23.661 -4.819 6.702 1.00 0.00 C ATOM 548 SG CYS C 1 25.431 -4.611 6.384 1.00 0.00 S ATOM 0 H1 CYS C 1 24.310 -4.340 9.117 1.00 0.00 H new ATOM 0 H2 CYS C 1 23.060 -3.289 9.583 1.00 0.00 H new ATOM 0 H3 CYS C 1 22.704 -4.889 9.141 1.00 0.00 H new ATOM 0 HA CYS C 1 23.693 -2.724 7.312 1.00 0.00 H new ATOM 0 HB2 CYS C 1 23.483 -5.755 7.231 1.00 0.00 H new ATOM 0 HB3 CYS C 1 23.116 -4.877 5.760 1.00 0.00 H new ATOM 0 HG CYS C 1 25.866 -5.613 5.680 1.00 0.00 H new ATOM 555 N TYR C 2 20.877 -3.249 8.238 1.00 0.00 N ATOM 556 CA TYR C 2 19.442 -2.948 8.009 1.00 0.00 C ATOM 557 C TYR C 2 19.118 -1.608 8.678 1.00 0.00 C ATOM 558 O TYR C 2 18.092 -1.006 8.438 1.00 0.00 O ATOM 559 CB TYR C 2 18.676 -4.107 8.666 1.00 0.00 C ATOM 560 CG TYR C 2 18.393 -3.756 10.103 1.00 0.00 C ATOM 561 CD1 TYR C 2 17.347 -2.880 10.401 1.00 0.00 C ATOM 562 CD2 TYR C 2 19.193 -4.271 11.124 1.00 0.00 C ATOM 563 CE1 TYR C 2 17.095 -2.517 11.720 1.00 0.00 C ATOM 564 CE2 TYR C 2 18.946 -3.906 12.449 1.00 0.00 C ATOM 565 CZ TYR C 2 17.895 -3.028 12.752 1.00 0.00 C ATOM 566 OH TYR C 2 17.648 -2.669 14.061 1.00 0.00 O ATOM 0 H TYR C 2 21.150 -3.350 9.216 1.00 0.00 H new ATOM 0 HA TYR C 2 19.176 -2.863 6.955 1.00 0.00 H new ATOM 0 HB2 TYR C 2 17.743 -4.292 8.133 1.00 0.00 H new ATOM 0 HB3 TYR C 2 19.262 -5.025 8.611 1.00 0.00 H new ATOM 0 HD1 TYR C 2 16.733 -2.484 9.606 1.00 0.00 H new ATOM 0 HD2 TYR C 2 20.000 -4.949 10.890 1.00 0.00 H new ATOM 0 HE1 TYR C 2 16.284 -1.842 11.949 1.00 0.00 H new ATOM 0 HE2 TYR C 2 19.565 -4.300 13.241 1.00 0.00 H new ATOM 0 HH TYR C 2 18.294 -3.113 14.649 1.00 0.00 H new ATOM 576 N LEU C 3 19.993 -1.138 9.524 1.00 0.00 N ATOM 577 CA LEU C 3 19.736 0.155 10.197 1.00 0.00 C ATOM 578 C LEU C 3 19.445 1.181 9.124 1.00 0.00 C ATOM 579 O LEU C 3 18.349 1.690 9.016 1.00 0.00 O ATOM 580 CB LEU C 3 21.021 0.479 10.939 1.00 0.00 C ATOM 581 CG LEU C 3 20.901 0.026 12.382 1.00 0.00 C ATOM 582 CD1 LEU C 3 20.353 -1.401 12.429 1.00 0.00 C ATOM 583 CD2 LEU C 3 22.277 0.073 13.049 1.00 0.00 C ATOM 0 H LEU C 3 20.870 -1.595 9.774 1.00 0.00 H new ATOM 0 HA LEU C 3 18.892 0.137 10.886 1.00 0.00 H new ATOM 0 HB2 LEU C 3 21.865 -0.017 10.460 1.00 0.00 H new ATOM 0 HB3 LEU C 3 21.217 1.551 10.898 1.00 0.00 H new ATOM 0 HG LEU C 3 20.219 0.690 12.914 1.00 0.00 H new ATOM 0 HD11 LEU C 3 20.268 -1.724 13.467 1.00 0.00 H new ATOM 0 HD12 LEU C 3 19.370 -1.429 11.958 1.00 0.00 H new ATOM 0 HD13 LEU C 3 21.030 -2.068 11.896 1.00 0.00 H new ATOM 0 HD21 LEU C 3 22.190 -0.253 14.086 1.00 0.00 H new ATOM 0 HD22 LEU C 3 22.962 -0.588 12.517 1.00 0.00 H new ATOM 0 HD23 LEU C 3 22.661 1.093 13.020 1.00 0.00 H new ATOM 595 N ARG C 4 20.414 1.446 8.294 1.00 0.00 N ATOM 596 CA ARG C 4 20.191 2.397 7.181 1.00 0.00 C ATOM 597 C ARG C 4 18.829 2.100 6.553 1.00 0.00 C ATOM 598 O ARG C 4 18.176 2.970 6.013 1.00 0.00 O ATOM 599 CB ARG C 4 21.332 2.121 6.200 1.00 0.00 C ATOM 600 CG ARG C 4 21.185 0.719 5.599 1.00 0.00 C ATOM 601 CD ARG C 4 21.733 -0.343 6.561 1.00 0.00 C ATOM 602 NE ARG C 4 22.963 0.242 7.164 1.00 0.00 N ATOM 603 CZ ARG C 4 23.958 0.605 6.401 1.00 0.00 C ATOM 604 NH1 ARG C 4 24.092 0.088 5.211 1.00 0.00 N ATOM 605 NH2 ARG C 4 24.821 1.483 6.834 1.00 0.00 N ATOM 0 H ARG C 4 21.350 1.043 8.342 1.00 0.00 H new ATOM 0 HA ARG C 4 20.185 3.442 7.490 1.00 0.00 H new ATOM 0 HB2 ARG C 4 21.327 2.868 5.406 1.00 0.00 H new ATOM 0 HB3 ARG C 4 22.290 2.207 6.712 1.00 0.00 H new ATOM 0 HG2 ARG C 4 20.135 0.517 5.386 1.00 0.00 H new ATOM 0 HG3 ARG C 4 21.718 0.667 4.650 1.00 0.00 H new ATOM 0 HD2 ARG C 4 21.000 -0.588 7.330 1.00 0.00 H new ATOM 0 HD3 ARG C 4 21.960 -1.268 6.032 1.00 0.00 H new ATOM 0 HE ARG C 4 23.028 0.359 8.175 1.00 0.00 H new ATOM 0 HH11 ARG C 4 23.419 -0.601 4.875 1.00 0.00 H new ATOM 0 HH12 ARG C 4 24.870 0.373 4.616 1.00 0.00 H new ATOM 0 HH21 ARG C 4 24.717 1.884 7.766 1.00 0.00 H new ATOM 0 HH22 ARG C 4 25.600 1.769 6.240 1.00 0.00 H new ATOM 619 N ARG C 5 18.386 0.869 6.648 1.00 0.00 N ATOM 620 CA ARG C 5 17.052 0.515 6.084 1.00 0.00 C ATOM 621 C ARG C 5 15.959 0.840 7.102 1.00 0.00 C ATOM 622 O ARG C 5 14.993 1.510 6.795 1.00 0.00 O ATOM 623 CB ARG C 5 17.110 -0.981 5.804 1.00 0.00 C ATOM 624 CG ARG C 5 17.591 -1.222 4.374 1.00 0.00 C ATOM 625 CD ARG C 5 18.830 -2.119 4.412 1.00 0.00 C ATOM 626 NE ARG C 5 18.297 -3.508 4.484 1.00 0.00 N ATOM 627 CZ ARG C 5 18.738 -4.418 3.660 1.00 0.00 C ATOM 628 NH1 ARG C 5 18.960 -4.112 2.411 1.00 0.00 N ATOM 629 NH2 ARG C 5 18.959 -5.634 4.083 1.00 0.00 N ATOM 0 H ARG C 5 18.890 0.100 7.090 1.00 0.00 H new ATOM 0 HA ARG C 5 16.823 1.076 5.178 1.00 0.00 H new ATOM 0 HB2 ARG C 5 17.783 -1.467 6.510 1.00 0.00 H new ATOM 0 HB3 ARG C 5 16.125 -1.425 5.946 1.00 0.00 H new ATOM 0 HG2 ARG C 5 16.803 -1.692 3.786 1.00 0.00 H new ATOM 0 HG3 ARG C 5 17.827 -0.274 3.891 1.00 0.00 H new ATOM 0 HD2 ARG C 5 19.447 -1.978 3.524 1.00 0.00 H new ATOM 0 HD3 ARG C 5 19.456 -1.891 5.275 1.00 0.00 H new ATOM 0 HE ARG C 5 17.588 -3.747 5.177 1.00 0.00 H new ATOM 0 HH11 ARG C 5 18.789 -3.162 2.080 1.00 0.00 H new ATOM 0 HH12 ARG C 5 19.305 -4.822 1.765 1.00 0.00 H new ATOM 0 HH21 ARG C 5 18.787 -5.874 5.059 1.00 0.00 H new ATOM 0 HH22 ARG C 5 19.304 -6.344 3.437 1.00 0.00 H new ATOM 643 N PHE C 6 16.111 0.390 8.317 1.00 0.00 N ATOM 644 CA PHE C 6 15.087 0.698 9.352 1.00 0.00 C ATOM 645 C PHE C 6 15.127 2.197 9.664 1.00 0.00 C ATOM 646 O PHE C 6 14.108 2.851 9.758 1.00 0.00 O ATOM 647 CB PHE C 6 15.492 -0.129 10.566 1.00 0.00 C ATOM 648 CG PHE C 6 14.945 0.483 11.818 1.00 0.00 C ATOM 649 CD1 PHE C 6 13.636 0.208 12.210 1.00 0.00 C ATOM 650 CD2 PHE C 6 15.750 1.319 12.586 1.00 0.00 C ATOM 651 CE1 PHE C 6 13.130 0.774 13.377 1.00 0.00 C ATOM 652 CE2 PHE C 6 15.248 1.888 13.752 1.00 0.00 C ATOM 653 CZ PHE C 6 13.935 1.617 14.153 1.00 0.00 C ATOM 0 H PHE C 6 16.897 -0.176 8.636 1.00 0.00 H new ATOM 0 HA PHE C 6 14.071 0.461 9.036 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.122 -1.149 10.460 1.00 0.00 H new ATOM 0 HB3 PHE C 6 16.579 -0.189 10.627 1.00 0.00 H new ATOM 0 HD1 PHE C 6 13.016 -0.442 11.610 1.00 0.00 H new ATOM 0 HD2 PHE C 6 16.764 1.526 12.277 1.00 0.00 H new ATOM 0 HE1 PHE C 6 12.116 0.563 13.684 1.00 0.00 H new ATOM 0 HE2 PHE C 6 15.871 2.539 14.347 1.00 0.00 H new ATOM 0 HZ PHE C 6 13.544 2.057 15.058 1.00 0.00 H new ATOM 663 N PHE C 7 16.305 2.740 9.823 1.00 0.00 N ATOM 664 CA PHE C 7 16.424 4.189 10.125 1.00 0.00 C ATOM 665 C PHE C 7 15.674 5.008 9.079 1.00 0.00 C ATOM 666 O PHE C 7 14.764 5.749 9.393 1.00 0.00 O ATOM 667 CB PHE C 7 17.911 4.482 10.079 1.00 0.00 C ATOM 668 CG PHE C 7 18.347 4.959 11.434 1.00 0.00 C ATOM 669 CD1 PHE C 7 17.643 5.990 12.060 1.00 0.00 C ATOM 670 CD2 PHE C 7 19.445 4.369 12.069 1.00 0.00 C ATOM 671 CE1 PHE C 7 18.033 6.436 13.322 1.00 0.00 C ATOM 672 CE2 PHE C 7 19.838 4.815 13.335 1.00 0.00 C ATOM 673 CZ PHE C 7 19.131 5.849 13.964 1.00 0.00 C ATOM 0 H PHE C 7 17.190 2.238 9.756 1.00 0.00 H new ATOM 0 HA PHE C 7 15.994 4.448 11.092 1.00 0.00 H new ATOM 0 HB2 PHE C 7 18.465 3.586 9.797 1.00 0.00 H new ATOM 0 HB3 PHE C 7 18.124 5.239 9.325 1.00 0.00 H new ATOM 0 HD1 PHE C 7 16.796 6.442 11.566 1.00 0.00 H new ATOM 0 HD2 PHE C 7 19.988 3.572 11.583 1.00 0.00 H new ATOM 0 HE1 PHE C 7 17.489 7.234 13.805 1.00 0.00 H new ATOM 0 HE2 PHE C 7 20.686 4.363 13.828 1.00 0.00 H new ATOM 0 HZ PHE C 7 19.432 6.193 14.942 1.00 0.00 H new ATOM 683 N LYS C 8 16.036 4.871 7.833 1.00 0.00 N ATOM 684 CA LYS C 8 15.330 5.628 6.775 1.00 0.00 C ATOM 685 C LYS C 8 13.844 5.271 6.794 1.00 0.00 C ATOM 686 O LYS C 8 13.023 5.942 6.200 1.00 0.00 O ATOM 687 CB LYS C 8 15.981 5.183 5.476 1.00 0.00 C ATOM 688 CG LYS C 8 16.612 6.391 4.781 1.00 0.00 C ATOM 689 CD LYS C 8 17.088 5.992 3.381 1.00 0.00 C ATOM 690 CE LYS C 8 18.618 5.945 3.357 1.00 0.00 C ATOM 691 NZ LYS C 8 19.045 7.366 3.220 1.00 0.00 N ATOM 0 H LYS C 8 16.790 4.267 7.507 1.00 0.00 H new ATOM 0 HA LYS C 8 15.400 6.708 6.908 1.00 0.00 H new ATOM 0 HB2 LYS C 8 16.741 4.428 5.678 1.00 0.00 H new ATOM 0 HB3 LYS C 8 15.239 4.722 4.824 1.00 0.00 H new ATOM 0 HG2 LYS C 8 15.887 7.202 4.712 1.00 0.00 H new ATOM 0 HG3 LYS C 8 17.451 6.763 5.368 1.00 0.00 H new ATOM 0 HD2 LYS C 8 16.679 5.019 3.110 1.00 0.00 H new ATOM 0 HD3 LYS C 8 16.724 6.707 2.644 1.00 0.00 H new ATOM 0 HE2 LYS C 8 19.014 5.500 4.270 1.00 0.00 H new ATOM 0 HE3 LYS C 8 18.981 5.342 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 20.082 7.413 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 18.631 7.771 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 18.720 7.907 4.046 1.00 0.00 H new ATOM 705 N ALA C 9 13.493 4.222 7.486 1.00 0.00 N ATOM 706 CA ALA C 9 12.072 3.819 7.565 1.00 0.00 C ATOM 707 C ALA C 9 11.430 4.472 8.786 1.00 0.00 C ATOM 708 O ALA C 9 10.262 4.805 8.791 1.00 0.00 O ATOM 709 CB ALA C 9 12.096 2.299 7.718 1.00 0.00 C ATOM 0 H ALA C 9 14.140 3.626 8.002 1.00 0.00 H new ATOM 0 HA ALA C 9 11.498 4.123 6.690 1.00 0.00 H new ATOM 0 HB1 ALA C 9 11.075 1.924 7.783 1.00 0.00 H new ATOM 0 HB2 ALA C 9 12.591 1.854 6.855 1.00 0.00 H new ATOM 0 HB3 ALA C 9 12.639 2.033 8.625 1.00 0.00 H new ATOM 715 N LYS C 10 12.197 4.655 9.823 1.00 0.00 N ATOM 716 CA LYS C 10 11.671 5.281 11.048 1.00 0.00 C ATOM 717 C LYS C 10 11.363 6.759 10.803 1.00 0.00 C ATOM 718 O LYS C 10 10.241 7.201 10.946 1.00 0.00 O ATOM 719 CB LYS C 10 12.793 5.118 12.051 1.00 0.00 C ATOM 720 CG LYS C 10 12.209 4.829 13.429 1.00 0.00 C ATOM 721 CD LYS C 10 12.407 6.055 14.306 1.00 0.00 C ATOM 722 CE LYS C 10 13.784 5.990 14.969 1.00 0.00 C ATOM 723 NZ LYS C 10 13.542 5.374 16.303 1.00 0.00 N ATOM 0 H LYS C 10 13.181 4.390 9.866 1.00 0.00 H new ATOM 0 HA LYS C 10 10.739 4.831 11.390 1.00 0.00 H new ATOM 0 HB2 LYS C 10 13.452 4.305 11.746 1.00 0.00 H new ATOM 0 HB3 LYS C 10 13.399 6.023 12.084 1.00 0.00 H new ATOM 0 HG2 LYS C 10 11.149 4.589 13.348 1.00 0.00 H new ATOM 0 HG3 LYS C 10 12.699 3.963 13.874 1.00 0.00 H new ATOM 0 HD2 LYS C 10 12.322 6.962 13.707 1.00 0.00 H new ATOM 0 HD3 LYS C 10 11.627 6.101 15.066 1.00 0.00 H new ATOM 0 HE2 LYS C 10 14.478 5.392 14.379 1.00 0.00 H new ATOM 0 HE3 LYS C 10 14.222 6.983 15.067 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 14.442 5.296 16.818 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 12.883 5.968 16.845 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 13.131 4.427 16.179 1.00 0.00 H new ATOM 737 N LYS C 11 12.348 7.532 10.430 1.00 0.00 N ATOM 738 CA LYS C 11 12.096 8.975 10.180 1.00 0.00 C ATOM 739 C LYS C 11 10.877 9.146 9.270 1.00 0.00 C ATOM 740 O LYS C 11 10.180 10.139 9.326 1.00 0.00 O ATOM 741 CB LYS C 11 13.360 9.486 9.488 1.00 0.00 C ATOM 742 CG LYS C 11 14.247 10.203 10.507 1.00 0.00 C ATOM 743 CD LYS C 11 13.496 11.407 11.081 1.00 0.00 C ATOM 744 CE LYS C 11 13.725 11.480 12.592 1.00 0.00 C ATOM 745 NZ LYS C 11 14.545 12.707 12.798 1.00 0.00 N ATOM 0 H LYS C 11 13.311 7.226 10.289 1.00 0.00 H new ATOM 0 HA LYS C 11 11.887 9.524 11.098 1.00 0.00 H new ATOM 0 HB2 LYS C 11 13.903 8.654 9.039 1.00 0.00 H new ATOM 0 HB3 LYS C 11 13.094 10.167 8.679 1.00 0.00 H new ATOM 0 HG2 LYS C 11 14.525 9.518 11.309 1.00 0.00 H new ATOM 0 HG3 LYS C 11 15.172 10.531 10.033 1.00 0.00 H new ATOM 0 HD2 LYS C 11 13.842 12.325 10.606 1.00 0.00 H new ATOM 0 HD3 LYS C 11 12.431 11.320 10.868 1.00 0.00 H new ATOM 0 HE2 LYS C 11 12.780 11.541 13.132 1.00 0.00 H new ATOM 0 HE3 LYS C 11 14.243 10.593 12.956 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 14.744 12.826 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 15.441 12.617 12.278 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 14.023 13.536 12.448 1.00 0.00 H new ATOM 759 N LEU C 12 10.624 8.184 8.426 1.00 0.00 N ATOM 760 CA LEU C 12 9.466 8.285 7.503 1.00 0.00 C ATOM 761 C LEU C 12 8.138 8.188 8.262 1.00 0.00 C ATOM 762 O LEU C 12 7.094 8.514 7.734 1.00 0.00 O ATOM 763 CB LEU C 12 9.625 7.107 6.541 1.00 0.00 C ATOM 764 CG LEU C 12 10.505 7.533 5.366 1.00 0.00 C ATOM 765 CD1 LEU C 12 10.634 6.378 4.374 1.00 0.00 C ATOM 766 CD2 LEU C 12 9.869 8.737 4.668 1.00 0.00 C ATOM 0 H LEU C 12 11.174 7.330 8.338 1.00 0.00 H new ATOM 0 HA LEU C 12 9.447 9.243 6.984 1.00 0.00 H new ATOM 0 HB2 LEU C 12 10.073 6.258 7.057 1.00 0.00 H new ATOM 0 HB3 LEU C 12 8.649 6.782 6.181 1.00 0.00 H new ATOM 0 HG LEU C 12 11.495 7.803 5.734 1.00 0.00 H new ATOM 0 HD11 LEU C 12 11.262 6.685 3.538 1.00 0.00 H new ATOM 0 HD12 LEU C 12 11.086 5.520 4.871 1.00 0.00 H new ATOM 0 HD13 LEU C 12 9.646 6.104 4.004 1.00 0.00 H new ATOM 0 HD21 LEU C 12 10.494 9.043 3.829 1.00 0.00 H new ATOM 0 HD22 LEU C 12 8.879 8.464 4.302 1.00 0.00 H new ATOM 0 HD23 LEU C 12 9.780 9.562 5.375 1.00 0.00 H new ATOM 778 N ILE C 13 8.155 7.739 9.490 1.00 0.00 N ATOM 779 CA ILE C 13 6.870 7.629 10.247 1.00 0.00 C ATOM 780 C ILE C 13 7.074 7.865 11.731 1.00 0.00 C ATOM 781 O ILE C 13 6.585 7.131 12.567 1.00 0.00 O ATOM 782 CB ILE C 13 6.349 6.217 9.998 1.00 0.00 C ATOM 783 CG1 ILE C 13 7.499 5.208 10.046 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.676 6.153 8.627 1.00 0.00 C ATOM 785 CD1 ILE C 13 7.603 4.618 11.453 1.00 0.00 C ATOM 0 H ILE C 13 8.990 7.447 9.997 1.00 0.00 H new ATOM 0 HA ILE C 13 6.161 8.386 9.911 1.00 0.00 H new ATOM 0 HB ILE C 13 5.627 5.968 10.775 1.00 0.00 H new ATOM 0 HG12 ILE C 13 7.330 4.414 9.319 1.00 0.00 H new ATOM 0 HG13 ILE C 13 8.436 5.695 9.774 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.304 5.144 8.451 1.00 0.00 H new ATOM 0 HG22 ILE C 13 4.844 6.856 8.597 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.399 6.413 7.854 1.00 0.00 H new ATOM 0 HD11 ILE C 13 8.422 3.900 11.487 1.00 0.00 H new ATOM 0 HD12 ILE C 13 7.792 5.417 12.170 1.00 0.00 H new ATOM 0 HD13 ILE C 13 6.669 4.116 11.707 1.00 0.00 H new ATOM 797 N GLU C 14 7.803 8.876 12.060 1.00 0.00 N ATOM 798 CA GLU C 14 8.068 9.178 13.475 1.00 0.00 C ATOM 799 C GLU C 14 7.889 10.673 13.753 1.00 0.00 C ATOM 800 O GLU C 14 6.826 11.190 13.447 1.00 0.00 O ATOM 801 CB GLU C 14 9.513 8.758 13.642 1.00 0.00 C ATOM 802 CG GLU C 14 9.614 7.253 13.422 1.00 0.00 C ATOM 803 CD GLU C 14 9.376 6.521 14.745 1.00 0.00 C ATOM 804 OE1 GLU C 14 9.597 7.125 15.782 1.00 0.00 O ATOM 805 OE2 GLU C 14 8.975 5.370 14.698 1.00 0.00 O ATOM 806 OXT GLU C 14 8.817 11.274 14.267 1.00 0.00 O ATOM 0 H GLU C 14 8.235 9.518 11.395 1.00 0.00 H new ATOM 0 HA GLU C 14 7.392 8.671 14.164 1.00 0.00 H new ATOM 0 HB2 GLU C 14 10.145 9.287 12.929 1.00 0.00 H new ATOM 0 HB3 GLU C 14 9.869 9.019 14.639 1.00 0.00 H new ATOM 0 HG2 GLU C 14 8.880 6.934 12.682 1.00 0.00 H new ATOM 0 HG3 GLU C 14 10.597 6.999 13.026 1.00 0.00 H new ATOM 826 N TYR D 2 25.726 -4.409 -0.195 1.00 0.00 N ATOM 827 CA TYR D 2 25.037 -3.752 -1.295 1.00 0.00 C ATOM 828 C TYR D 2 24.520 -4.828 -2.208 1.00 0.00 C ATOM 829 O TYR D 2 24.412 -5.964 -1.808 1.00 0.00 O ATOM 830 CB TYR D 2 26.076 -2.879 -1.978 1.00 0.00 C ATOM 831 CG TYR D 2 25.402 -1.594 -2.315 1.00 0.00 C ATOM 832 CD1 TYR D 2 24.697 -0.932 -1.319 1.00 0.00 C ATOM 833 CD2 TYR D 2 25.442 -1.086 -3.613 1.00 0.00 C ATOM 834 CE1 TYR D 2 24.026 0.245 -1.604 1.00 0.00 C ATOM 835 CE2 TYR D 2 24.773 0.101 -3.909 1.00 0.00 C ATOM 836 CZ TYR D 2 24.059 0.772 -2.903 1.00 0.00 C ATOM 837 OH TYR D 2 23.393 1.945 -3.192 1.00 0.00 O ATOM 0 HA TYR D 2 24.193 -3.137 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR D 2 26.929 -2.708 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR D 2 26.457 -3.363 -2.877 1.00 0.00 H new ATOM 0 HD1 TYR D 2 24.672 -1.337 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR D 2 25.988 -1.609 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR D 2 23.478 0.757 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR D 2 24.804 0.504 -4.911 1.00 0.00 H new ATOM 0 HH TYR D 2 23.887 2.441 -3.878 1.00 0.00 H new ATOM 847 N LEU D 3 24.194 -4.491 -3.411 1.00 0.00 N ATOM 848 CA LEU D 3 23.655 -5.505 -4.334 1.00 0.00 C ATOM 849 C LEU D 3 22.343 -6.028 -3.746 1.00 0.00 C ATOM 850 O LEU D 3 21.283 -5.812 -4.276 1.00 0.00 O ATOM 851 CB LEU D 3 24.719 -6.588 -4.421 1.00 0.00 C ATOM 852 CG LEU D 3 25.941 -6.045 -5.143 1.00 0.00 C ATOM 853 CD1 LEU D 3 26.823 -5.252 -4.182 1.00 0.00 C ATOM 854 CD2 LEU D 3 26.748 -7.202 -5.707 1.00 0.00 C ATOM 0 H LEU D 3 24.278 -3.551 -3.797 1.00 0.00 H new ATOM 0 HA LEU D 3 23.438 -5.122 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU D 3 24.994 -6.923 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU D 3 24.327 -7.456 -4.951 1.00 0.00 H new ATOM 0 HG LEU D 3 25.607 -5.388 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU D 3 27.693 -4.871 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU D 3 26.255 -4.417 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU D 3 27.152 -5.901 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU D 3 27.625 -6.815 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU D 3 27.066 -7.855 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU D 3 26.133 -7.768 -6.407 1.00 0.00 H new ATOM 866 N ARG D 4 22.393 -6.672 -2.624 1.00 0.00 N ATOM 867 CA ARG D 4 21.134 -7.147 -2.007 1.00 0.00 C ATOM 868 C ARG D 4 20.140 -5.986 -1.915 1.00 0.00 C ATOM 869 O ARG D 4 18.984 -6.122 -2.259 1.00 0.00 O ATOM 870 CB ARG D 4 21.521 -7.630 -0.605 1.00 0.00 C ATOM 871 CG ARG D 4 22.504 -6.650 0.048 1.00 0.00 C ATOM 872 CD ARG D 4 21.861 -6.015 1.281 1.00 0.00 C ATOM 873 NE ARG D 4 22.876 -6.166 2.360 1.00 0.00 N ATOM 874 CZ ARG D 4 23.238 -7.357 2.752 1.00 0.00 C ATOM 875 NH1 ARG D 4 22.546 -7.980 3.666 1.00 0.00 N ATOM 876 NH2 ARG D 4 24.289 -7.926 2.227 1.00 0.00 N ATOM 0 H ARG D 4 23.246 -6.890 -2.108 1.00 0.00 H new ATOM 0 HA ARG D 4 20.663 -7.941 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG D 4 20.628 -7.725 0.013 1.00 0.00 H new ATOM 0 HB3 ARG D 4 21.972 -8.620 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG D 4 23.418 -7.172 0.331 1.00 0.00 H new ATOM 0 HG3 ARG D 4 22.787 -5.876 -0.665 1.00 0.00 H new ATOM 0 HD2 ARG D 4 21.622 -4.966 1.107 1.00 0.00 H new ATOM 0 HD3 ARG D 4 20.928 -6.515 1.542 1.00 0.00 H new ATOM 0 HE ARG D 4 23.288 -5.339 2.792 1.00 0.00 H new ATOM 0 HH11 ARG D 4 21.723 -7.536 4.073 1.00 0.00 H new ATOM 0 HH12 ARG D 4 22.828 -8.911 3.973 1.00 0.00 H new ATOM 0 HH21 ARG D 4 24.828 -7.440 1.510 1.00 0.00 H new ATOM 0 HH22 ARG D 4 24.572 -8.857 2.534 1.00 0.00 H new ATOM 890 N ARG D 5 20.579 -4.843 -1.452 1.00 0.00 N ATOM 891 CA ARG D 5 19.646 -3.685 -1.342 1.00 0.00 C ATOM 892 C ARG D 5 19.582 -2.909 -2.661 1.00 0.00 C ATOM 893 O ARG D 5 18.661 -2.157 -2.905 1.00 0.00 O ATOM 894 CB ARG D 5 20.215 -2.817 -0.224 1.00 0.00 C ATOM 895 CG ARG D 5 21.428 -2.039 -0.730 1.00 0.00 C ATOM 896 CD ARG D 5 22.314 -1.658 0.459 1.00 0.00 C ATOM 897 NE ARG D 5 21.372 -1.244 1.539 1.00 0.00 N ATOM 898 CZ ARG D 5 20.779 -0.083 1.476 1.00 0.00 C ATOM 899 NH1 ARG D 5 21.491 1.010 1.417 1.00 0.00 N ATOM 900 NH2 ARG D 5 19.476 -0.014 1.472 1.00 0.00 N ATOM 0 H ARG D 5 21.536 -4.664 -1.148 1.00 0.00 H new ATOM 0 HA ARG D 5 18.626 -4.004 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG D 5 19.453 -2.125 0.134 1.00 0.00 H new ATOM 0 HB3 ARG D 5 20.501 -3.442 0.622 1.00 0.00 H new ATOM 0 HG2 ARG D 5 21.992 -2.643 -1.440 1.00 0.00 H new ATOM 0 HG3 ARG D 5 21.105 -1.143 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG D 5 22.929 -2.500 0.776 1.00 0.00 H new ATOM 0 HD3 ARG D 5 22.994 -0.847 0.198 1.00 0.00 H new ATOM 0 HE ARG D 5 21.192 -1.868 2.326 1.00 0.00 H new ATOM 0 HH11 ARG D 5 22.510 0.956 1.420 1.00 0.00 H new ATOM 0 HH12 ARG D 5 21.029 1.918 1.368 1.00 0.00 H new ATOM 0 HH21 ARG D 5 18.920 -0.868 1.518 1.00 0.00 H new ATOM 0 HH22 ARG D 5 19.014 0.894 1.423 1.00 0.00 H new ATOM 914 N PHE D 6 20.547 -3.092 -3.515 1.00 0.00 N ATOM 915 CA PHE D 6 20.533 -2.374 -4.822 1.00 0.00 C ATOM 916 C PHE D 6 19.885 -3.260 -5.888 1.00 0.00 C ATOM 917 O PHE D 6 19.105 -2.811 -6.704 1.00 0.00 O ATOM 918 CB PHE D 6 22.002 -2.123 -5.129 1.00 0.00 C ATOM 919 CG PHE D 6 22.197 -1.882 -6.587 1.00 0.00 C ATOM 920 CD1 PHE D 6 21.560 -0.811 -7.202 1.00 0.00 C ATOM 921 CD2 PHE D 6 23.029 -2.724 -7.316 1.00 0.00 C ATOM 922 CE1 PHE D 6 21.753 -0.578 -8.561 1.00 0.00 C ATOM 923 CE2 PHE D 6 23.225 -2.499 -8.675 1.00 0.00 C ATOM 924 CZ PHE D 6 22.588 -1.422 -9.304 1.00 0.00 C ATOM 0 H PHE D 6 21.347 -3.708 -3.367 1.00 0.00 H new ATOM 0 HA PHE D 6 19.962 -1.446 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE D 6 22.356 -1.262 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE D 6 22.597 -2.980 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE D 6 20.917 -0.161 -6.627 1.00 0.00 H new ATOM 0 HD2 PHE D 6 23.523 -3.552 -6.828 1.00 0.00 H new ATOM 0 HE1 PHE D 6 21.259 0.253 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE D 6 23.868 -3.154 -9.244 1.00 0.00 H new ATOM 0 HZ PHE D 6 22.740 -1.243 -10.358 1.00 0.00 H new ATOM 934 N PHE D 7 20.206 -4.520 -5.872 1.00 0.00 N ATOM 935 CA PHE D 7 19.635 -5.471 -6.851 1.00 0.00 C ATOM 936 C PHE D 7 18.150 -5.705 -6.572 1.00 0.00 C ATOM 937 O PHE D 7 17.336 -5.726 -7.472 1.00 0.00 O ATOM 938 CB PHE D 7 20.422 -6.751 -6.631 1.00 0.00 C ATOM 939 CG PHE D 7 20.700 -7.409 -7.948 1.00 0.00 C ATOM 940 CD1 PHE D 7 19.643 -7.808 -8.768 1.00 0.00 C ATOM 941 CD2 PHE D 7 22.021 -7.623 -8.346 1.00 0.00 C ATOM 942 CE1 PHE D 7 19.905 -8.422 -9.993 1.00 0.00 C ATOM 943 CE2 PHE D 7 22.288 -8.238 -9.572 1.00 0.00 C ATOM 944 CZ PHE D 7 21.229 -8.639 -10.398 1.00 0.00 C ATOM 0 H PHE D 7 20.855 -4.937 -5.205 1.00 0.00 H new ATOM 0 HA PHE D 7 19.704 -5.105 -7.875 1.00 0.00 H new ATOM 0 HB2 PHE D 7 21.359 -6.529 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE D 7 19.860 -7.428 -5.987 1.00 0.00 H new ATOM 0 HD1 PHE D 7 18.623 -7.641 -8.454 1.00 0.00 H new ATOM 0 HD2 PHE D 7 22.835 -7.314 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE D 7 19.088 -8.730 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE D 7 23.309 -8.404 -9.883 1.00 0.00 H new ATOM 0 HZ PHE D 7 21.433 -9.115 -11.346 1.00 0.00 H new ATOM 954 N LYS D 8 17.791 -5.889 -5.328 1.00 0.00 N ATOM 955 CA LYS D 8 16.361 -6.128 -4.996 1.00 0.00 C ATOM 956 C LYS D 8 15.469 -5.184 -5.803 1.00 0.00 C ATOM 957 O LYS D 8 14.385 -5.542 -6.219 1.00 0.00 O ATOM 958 CB LYS D 8 16.247 -5.843 -3.508 1.00 0.00 C ATOM 959 CG LYS D 8 15.849 -7.124 -2.772 1.00 0.00 C ATOM 960 CD LYS D 8 15.479 -6.790 -1.326 1.00 0.00 C ATOM 961 CE LYS D 8 16.639 -7.164 -0.400 1.00 0.00 C ATOM 962 NZ LYS D 8 16.327 -8.543 0.068 1.00 0.00 N ATOM 0 H LYS D 8 18.427 -5.884 -4.531 1.00 0.00 H new ATOM 0 HA LYS D 8 16.043 -7.142 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS D 8 17.197 -5.471 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS D 8 15.505 -5.064 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS D 8 15.005 -7.597 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS D 8 16.672 -7.838 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS D 8 15.255 -5.727 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS D 8 14.579 -7.332 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS D 8 17.592 -7.132 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS D 8 16.715 -6.470 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 17.078 -8.870 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 15.418 -8.541 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 16.267 -9.182 -0.750 1.00 0.00 H new ATOM 976 N ALA D 9 15.924 -3.985 -6.040 1.00 0.00 N ATOM 977 CA ALA D 9 15.112 -3.030 -6.829 1.00 0.00 C ATOM 978 C ALA D 9 15.324 -3.303 -8.316 1.00 0.00 C ATOM 979 O ALA D 9 14.457 -3.074 -9.136 1.00 0.00 O ATOM 980 CB ALA D 9 15.637 -1.645 -6.451 1.00 0.00 C ATOM 0 H ALA D 9 16.824 -3.629 -5.719 1.00 0.00 H new ATOM 0 HA ALA D 9 14.044 -3.115 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA D 9 15.081 -0.883 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA D 9 15.510 -1.488 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.695 -1.575 -6.705 1.00 0.00 H new ATOM 986 N LYS D 10 16.477 -3.802 -8.660 1.00 0.00 N ATOM 987 CA LYS D 10 16.773 -4.111 -10.073 1.00 0.00 C ATOM 988 C LYS D 10 15.849 -5.221 -10.574 1.00 0.00 C ATOM 989 O LYS D 10 15.123 -5.051 -11.533 1.00 0.00 O ATOM 990 CB LYS D 10 18.220 -4.573 -10.052 1.00 0.00 C ATOM 991 CG LYS D 10 18.915 -4.147 -11.342 1.00 0.00 C ATOM 992 CD LYS D 10 19.249 -2.660 -11.263 1.00 0.00 C ATOM 993 CE LYS D 10 19.661 -2.154 -12.648 1.00 0.00 C ATOM 994 NZ LYS D 10 20.567 -0.997 -12.392 1.00 0.00 N ATOM 0 H LYS D 10 17.233 -4.010 -8.008 1.00 0.00 H new ATOM 0 HA LYS D 10 16.620 -3.261 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS D 10 18.736 -4.146 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS D 10 18.264 -5.657 -9.945 1.00 0.00 H new ATOM 0 HG2 LYS D 10 19.825 -4.729 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS D 10 18.270 -4.342 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS D 10 18.385 -2.101 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS D 10 20.056 -2.495 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS D 10 20.169 -2.933 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS D 10 18.791 -1.851 -13.231 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 20.888 -0.600 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 20.055 -0.267 -11.857 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 21.390 -1.316 -11.843 1.00 0.00 H new ATOM 1008 N LYS D 11 15.866 -6.357 -9.932 1.00 0.00 N ATOM 1009 CA LYS D 11 14.986 -7.469 -10.376 1.00 0.00 C ATOM 1010 C LYS D 11 13.576 -6.941 -10.650 1.00 0.00 C ATOM 1011 O LYS D 11 12.895 -7.398 -11.547 1.00 0.00 O ATOM 1012 CB LYS D 11 14.974 -8.457 -9.210 1.00 0.00 C ATOM 1013 CG LYS D 11 16.048 -9.522 -9.439 1.00 0.00 C ATOM 1014 CD LYS D 11 15.405 -10.778 -10.026 1.00 0.00 C ATOM 1015 CE LYS D 11 16.163 -12.014 -9.538 1.00 0.00 C ATOM 1016 NZ LYS D 11 15.259 -12.651 -8.541 1.00 0.00 N ATOM 0 H LYS D 11 16.451 -6.561 -9.121 1.00 0.00 H new ATOM 0 HA LYS D 11 15.337 -7.935 -11.297 1.00 0.00 H new ATOM 0 HB2 LYS D 11 15.159 -7.933 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS D 11 13.993 -8.925 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS D 11 16.813 -9.142 -10.116 1.00 0.00 H new ATOM 0 HG3 LYS D 11 16.545 -9.761 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS D 11 14.359 -10.838 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS D 11 15.423 -10.734 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS D 11 16.383 -12.693 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS D 11 17.117 -11.740 -9.087 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 15.710 -13.507 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 15.073 -11.984 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 14.362 -12.907 -9.000 1.00 0.00 H new ATOM 1030 N LEU D 12 13.134 -5.981 -9.885 1.00 0.00 N ATOM 1031 CA LEU D 12 11.775 -5.425 -10.098 1.00 0.00 C ATOM 1032 C LEU D 12 11.685 -4.738 -11.464 1.00 0.00 C ATOM 1033 O LEU D 12 10.621 -4.349 -11.901 1.00 0.00 O ATOM 1034 CB LEU D 12 11.578 -4.410 -8.972 1.00 0.00 C ATOM 1035 CG LEU D 12 11.007 -5.120 -7.744 1.00 0.00 C ATOM 1036 CD1 LEU D 12 10.733 -4.096 -6.641 1.00 0.00 C ATOM 1037 CD2 LEU D 12 9.700 -5.821 -8.122 1.00 0.00 C ATOM 0 H LEU D 12 13.660 -5.559 -9.120 1.00 0.00 H new ATOM 0 HA LEU D 12 11.009 -6.201 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU D 12 12.528 -3.937 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU D 12 10.902 -3.618 -9.295 1.00 0.00 H new ATOM 0 HG LEU D 12 11.726 -5.857 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU D 12 10.326 -4.603 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU D 12 11.663 -3.595 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU D 12 10.015 -3.359 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU D 12 9.292 -6.327 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU D 12 8.982 -5.084 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU D 12 9.893 -6.552 -8.907 1.00 0.00 H new ATOM 1049 N ILE D 13 12.791 -4.583 -12.142 1.00 0.00 N ATOM 1050 CA ILE D 13 12.750 -3.916 -13.478 1.00 0.00 C ATOM 1051 C ILE D 13 13.829 -4.463 -14.396 1.00 0.00 C ATOM 1052 O ILE D 13 14.550 -3.732 -15.045 1.00 0.00 O ATOM 1053 CB ILE D 13 12.964 -2.418 -13.225 1.00 0.00 C ATOM 1054 CG1 ILE D 13 13.938 -2.189 -12.061 1.00 0.00 C ATOM 1055 CG2 ILE D 13 11.623 -1.760 -12.898 1.00 0.00 C ATOM 1056 CD1 ILE D 13 15.264 -1.655 -12.606 1.00 0.00 C ATOM 0 H ILE D 13 13.714 -4.886 -11.833 1.00 0.00 H new ATOM 0 HA ILE D 13 11.796 -4.100 -13.972 1.00 0.00 H new ATOM 0 HB ILE D 13 13.390 -1.975 -14.125 1.00 0.00 H new ATOM 0 HG12 ILE D 13 13.513 -1.481 -11.350 1.00 0.00 H new ATOM 0 HG13 ILE D 13 14.103 -3.122 -11.521 1.00 0.00 H new ATOM 0 HG21 ILE D 13 11.774 -0.696 -12.718 1.00 0.00 H new ATOM 0 HG22 ILE D 13 10.939 -1.893 -13.736 1.00 0.00 H new ATOM 0 HG23 ILE D 13 11.199 -2.222 -12.006 1.00 0.00 H new ATOM 0 HD11 ILE D 13 15.957 -1.492 -11.781 1.00 0.00 H new ATOM 0 HD12 ILE D 13 15.690 -2.379 -13.300 1.00 0.00 H new ATOM 0 HD13 ILE D 13 15.091 -0.713 -13.126 1.00 0.00 H new ATOM 1068 N GLU D 14 13.945 -5.748 -14.443 1.00 0.00 N ATOM 1069 CA GLU D 14 14.965 -6.381 -15.292 1.00 0.00 C ATOM 1070 C GLU D 14 14.350 -7.506 -16.130 1.00 0.00 C ATOM 1071 O GLU D 14 14.041 -8.540 -15.561 1.00 0.00 O ATOM 1072 CB GLU D 14 15.947 -6.929 -14.281 1.00 0.00 C ATOM 1073 CG GLU D 14 16.573 -5.760 -13.531 1.00 0.00 C ATOM 1074 CD GLU D 14 17.853 -5.320 -14.245 1.00 0.00 C ATOM 1075 OE1 GLU D 14 18.889 -5.905 -13.975 1.00 0.00 O ATOM 1076 OE2 GLU D 14 17.775 -4.406 -15.049 1.00 0.00 O ATOM 1077 OXT GLU D 14 14.202 -7.315 -17.325 1.00 0.00 O ATOM 0 H GLU D 14 13.362 -6.399 -13.917 1.00 0.00 H new ATOM 0 HA GLU D 14 15.422 -5.698 -16.008 1.00 0.00 H new ATOM 0 HB2 GLU D 14 15.440 -7.598 -13.585 1.00 0.00 H new ATOM 0 HB3 GLU D 14 16.718 -7.515 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU D 14 15.869 -4.929 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU D 14 16.798 -6.051 -12.505 1.00 0.00 H new