USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 106:sc= 0.0395 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+ 180:sc= 0 (180deg=0) 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 30:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-0.099) USER MOD Single : A 50 ASN : amide:sc= -0.925 X(o=-0.93,f=-0.58) USER MOD Single : A 58 HIS : no HD1:sc= -1.19! C(o=-1.2!,f=-6.2!) USER MOD Single : A 59 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.564 11.645 1.398 1.00 0.00 N ATOM 82 CA PRO A 9 -0.577 10.196 1.175 1.00 0.00 C ATOM 83 C PRO A 9 -1.107 9.828 -0.207 1.00 0.00 C ATOM 84 O PRO A 9 -1.832 10.603 -0.831 1.00 0.00 O ATOM 85 CB PRO A 9 -1.518 9.677 2.265 1.00 0.00 C ATOM 86 CG PRO A 9 -2.409 10.829 2.576 1.00 0.00 C ATOM 87 CD PRO A 9 -1.571 12.064 2.388 1.00 0.00 C ATOM 0 HA PRO A 9 0.424 9.768 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.090 8.817 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.964 9.356 3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.276 10.841 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.787 10.766 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.166 12.902 2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.108 12.382 3.322 1.00 0.00 H new ATOM 95 N ILE A 10 -0.742 8.640 -0.678 1.00 0.00 N ATOM 96 CA ILE A 10 -1.183 8.169 -1.985 1.00 0.00 C ATOM 97 C ILE A 10 -2.175 7.019 -1.849 1.00 0.00 C ATOM 98 O ILE A 10 -1.861 5.981 -1.268 1.00 0.00 O ATOM 99 CB ILE A 10 0.006 7.706 -2.847 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.050 8.819 -2.954 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.473 7.288 -4.229 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.363 8.362 -3.551 1.00 0.00 C ATOM 0 H ILE A 10 -0.142 7.987 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.671 9.011 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 10 0.469 6.843 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.646 9.628 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.235 9.229 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.379 6.963 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.184 6.467 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.957 8.134 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.055 9.203 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.790 7.574 -2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.192 7.979 -4.557 1.00 0.00 H new ATOM 114 N GLU A 11 -3.374 7.212 -2.389 1.00 0.00 N ATOM 115 CA GLU A 11 -4.413 6.190 -2.328 1.00 0.00 C ATOM 116 C GLU A 11 -4.142 5.079 -3.338 1.00 0.00 C ATOM 117 O GLU A 11 -4.187 5.300 -4.548 1.00 0.00 O ATOM 118 CB GLU A 11 -5.786 6.811 -2.592 1.00 0.00 C ATOM 119 CG GLU A 11 -6.415 7.444 -1.363 1.00 0.00 C ATOM 120 CD GLU A 11 -7.411 8.533 -1.712 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.073 8.414 -2.764 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.529 9.502 -0.934 1.00 0.00 O ATOM 0 H GLU A 11 -3.650 8.066 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.404 5.758 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.689 7.568 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.455 6.042 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.916 6.673 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.630 7.863 -0.733 1.00 0.00 H new ATOM 129 N ALA A 12 -3.860 3.883 -2.832 1.00 0.00 N ATOM 130 CA ALA A 12 -3.583 2.736 -3.688 1.00 0.00 C ATOM 131 C ALA A 12 -4.710 1.712 -3.616 1.00 0.00 C ATOM 132 O ALA A 12 -5.658 1.872 -2.847 1.00 0.00 O ATOM 133 CB ALA A 12 -2.259 2.095 -3.300 1.00 0.00 C ATOM 0 H ALA A 12 -3.817 3.683 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.515 3.090 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.065 1.240 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.456 2.823 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.306 1.762 -2.263 1.00 0.00 H new ATOM 139 N ILE A 13 -4.601 0.661 -4.421 1.00 0.00 N ATOM 140 CA ILE A 13 -5.612 -0.389 -4.447 1.00 0.00 C ATOM 141 C ILE A 13 -4.968 -1.769 -4.522 1.00 0.00 C ATOM 142 O ILE A 13 -4.057 -1.998 -5.317 1.00 0.00 O ATOM 143 CB ILE A 13 -6.572 -0.217 -5.639 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.179 1.187 -5.634 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.665 -1.273 -5.595 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.180 1.409 -4.521 1.00 0.00 C ATOM 0 H ILE A 13 -3.823 0.514 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.179 -0.305 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.008 -0.345 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.378 1.920 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.667 1.366 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.335 -1.138 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.215 -2.265 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.229 -1.174 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.569 2.425 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.001 0.700 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.692 1.262 -3.558 1.00 0.00 H new ATOM 158 N ALA A 14 -5.450 -2.687 -3.690 1.00 0.00 N ATOM 159 CA ALA A 14 -4.924 -4.046 -3.665 1.00 0.00 C ATOM 160 C ALA A 14 -4.985 -4.684 -5.048 1.00 0.00 C ATOM 161 O ALA A 14 -6.047 -4.747 -5.669 1.00 0.00 O ATOM 162 CB ALA A 14 -5.692 -4.890 -2.658 1.00 0.00 C ATOM 0 H ALA A 14 -6.204 -2.514 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.878 -3.999 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.289 -5.903 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.593 -4.452 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.745 -4.921 -2.937 1.00 0.00 H new ATOM 168 N LYS A 15 -3.839 -5.156 -5.528 1.00 0.00 N ATOM 169 CA LYS A 15 -3.761 -5.790 -6.839 1.00 0.00 C ATOM 170 C LYS A 15 -4.177 -7.255 -6.760 1.00 0.00 C ATOM 171 O LYS A 15 -4.752 -7.799 -7.702 1.00 0.00 O ATOM 172 CB LYS A 15 -2.341 -5.681 -7.397 1.00 0.00 C ATOM 173 CG LYS A 15 -2.288 -5.592 -8.912 1.00 0.00 C ATOM 174 CD LYS A 15 -0.941 -5.078 -9.394 1.00 0.00 C ATOM 175 CE LYS A 15 0.034 -6.219 -9.641 1.00 0.00 C ATOM 176 NZ LYS A 15 1.415 -5.723 -9.897 1.00 0.00 N ATOM 0 H LYS A 15 -2.951 -5.111 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.448 -5.271 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.860 -4.800 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.764 -6.547 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.478 -6.575 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.079 -4.931 -9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.076 -4.507 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.524 -4.396 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.041 -6.884 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.304 -6.808 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.049 -6.531 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.413 -5.109 -10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.748 -5.183 -9.073 1.00 0.00 H new ATOM 190 N PHE A 16 -3.882 -7.889 -5.629 1.00 0.00 N ATOM 191 CA PHE A 16 -4.226 -9.292 -5.428 1.00 0.00 C ATOM 192 C PHE A 16 -4.302 -9.624 -3.940 1.00 0.00 C ATOM 193 O PHE A 16 -3.528 -9.104 -3.137 1.00 0.00 O ATOM 194 CB PHE A 16 -3.197 -10.194 -6.112 1.00 0.00 C ATOM 195 CG PHE A 16 -2.968 -9.854 -7.557 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.953 -10.089 -8.502 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.768 -9.298 -7.969 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.744 -9.777 -9.832 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.553 -8.984 -9.298 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.543 -9.223 -10.231 1.00 0.00 C ATOM 0 H PHE A 16 -3.406 -7.454 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.205 -9.469 -5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.251 -10.123 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.528 -11.230 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.895 -10.521 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.991 -9.108 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.520 -9.966 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.612 -8.552 -9.606 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.379 -8.977 -11.270 1.00 0.00 H new ATOM 210 N ASP A 17 -5.240 -10.494 -3.582 1.00 0.00 N ATOM 211 CA ASP A 17 -5.418 -10.898 -2.192 1.00 0.00 C ATOM 212 C ASP A 17 -4.071 -11.163 -1.527 1.00 0.00 C ATOM 213 O ASP A 17 -3.411 -12.162 -1.813 1.00 0.00 O ATOM 214 CB ASP A 17 -6.296 -12.147 -2.110 1.00 0.00 C ATOM 215 CG ASP A 17 -5.887 -13.209 -3.112 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.888 -12.911 -4.325 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.569 -14.338 -2.684 1.00 0.00 O ATOM 0 H ASP A 17 -5.889 -10.933 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.910 -10.082 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.241 -12.561 -1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.336 -11.869 -2.284 1.00 0.00 H new ATOM 222 N TYR A 18 -3.668 -10.261 -0.638 1.00 0.00 N ATOM 223 CA TYR A 18 -2.398 -10.395 0.066 1.00 0.00 C ATOM 224 C TYR A 18 -2.623 -10.611 1.559 1.00 0.00 C ATOM 225 O TYR A 18 -3.609 -10.139 2.125 1.00 0.00 O ATOM 226 CB TYR A 18 -1.534 -9.153 -0.157 1.00 0.00 C ATOM 227 CG TYR A 18 -0.148 -9.266 0.436 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.780 -10.160 -0.083 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.233 -8.479 1.516 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.048 -10.267 0.456 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.499 -8.578 2.061 1.00 0.00 C ATOM 232 CZ TYR A 18 2.403 -9.473 1.528 1.00 0.00 C ATOM 233 OH TYR A 18 3.664 -9.576 2.068 1.00 0.00 O ATOM 0 H TYR A 18 -4.203 -9.429 -0.388 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.880 -11.266 -0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.448 -8.968 -1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.036 -8.288 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.506 -10.782 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.473 -7.778 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.757 -10.968 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.779 -7.958 2.900 1.00 0.00 H new ATOM 0 HH TYR A 18 4.196 -8.796 1.807 1.00 0.00 H new ATOM 243 N VAL A 19 -1.701 -11.329 2.192 1.00 0.00 N ATOM 244 CA VAL A 19 -1.795 -11.607 3.620 1.00 0.00 C ATOM 245 C VAL A 19 -0.463 -11.359 4.318 1.00 0.00 C ATOM 246 O VAL A 19 0.502 -12.095 4.116 1.00 0.00 O ATOM 247 CB VAL A 19 -2.237 -13.059 3.881 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.238 -14.037 3.281 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.405 -13.305 5.373 1.00 0.00 C ATOM 0 H VAL A 19 -0.880 -11.729 1.738 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.545 -10.928 4.025 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.201 -13.219 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.567 -15.058 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.172 -13.876 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.258 -13.879 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.718 -14.336 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.457 -13.127 5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.161 -12.628 5.770 1.00 0.00 H new ATOM 259 N GLY A 20 -0.417 -10.317 5.143 1.00 0.00 N ATOM 260 CA GLY A 20 0.802 -9.990 5.859 1.00 0.00 C ATOM 261 C GLY A 20 1.412 -11.196 6.545 1.00 0.00 C ATOM 262 O GLY A 20 0.939 -11.625 7.598 1.00 0.00 O ATOM 0 H GLY A 20 -1.203 -9.693 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.526 -9.567 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.588 -9.222 6.603 1.00 0.00 H new ATOM 266 N ARG A 21 2.464 -11.746 5.948 1.00 0.00 N ATOM 267 CA ARG A 21 3.137 -12.912 6.507 1.00 0.00 C ATOM 268 C ARG A 21 3.567 -12.653 7.948 1.00 0.00 C ATOM 269 O ARG A 21 3.519 -13.547 8.793 1.00 0.00 O ATOM 270 CB ARG A 21 4.356 -13.280 5.658 1.00 0.00 C ATOM 271 CG ARG A 21 4.005 -13.712 4.244 1.00 0.00 C ATOM 272 CD ARG A 21 5.130 -14.516 3.612 1.00 0.00 C ATOM 273 NE ARG A 21 6.178 -13.658 3.066 1.00 0.00 N ATOM 274 CZ ARG A 21 6.079 -13.029 1.900 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.986 -13.163 1.161 1.00 0.00 N ATOM 276 NH2 ARG A 21 7.075 -12.265 1.470 1.00 0.00 N ATOM 0 H ARG A 21 2.869 -11.403 5.077 1.00 0.00 H new ATOM 0 HA ARG A 21 2.433 -13.744 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.028 -12.423 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.901 -14.085 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.094 -14.310 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.798 -12.832 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.561 -15.184 4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.725 -15.143 2.818 1.00 0.00 H new ATOM 0 HE ARG A 21 7.032 -13.535 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.219 -13.750 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.913 -12.679 0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.918 -12.160 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.998 -11.783 0.575 1.00 0.00 H new ATOM 290 N THR A 22 3.989 -11.422 8.222 1.00 0.00 N ATOM 291 CA THR A 22 4.429 -11.045 9.559 1.00 0.00 C ATOM 292 C THR A 22 3.692 -9.804 10.051 1.00 0.00 C ATOM 293 O THR A 22 3.180 -9.018 9.254 1.00 0.00 O ATOM 294 CB THR A 22 5.945 -10.776 9.597 1.00 0.00 C ATOM 295 OG1 THR A 22 6.257 -9.618 8.814 1.00 0.00 O ATOM 296 CG2 THR A 22 6.720 -11.974 9.070 1.00 0.00 C ATOM 0 H THR A 22 4.035 -10.669 7.535 1.00 0.00 H new ATOM 0 HA THR A 22 4.200 -11.885 10.215 1.00 0.00 H new ATOM 0 HB THR A 22 6.235 -10.602 10.633 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.222 -9.453 8.845 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.788 -11.761 9.106 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.503 -12.847 9.685 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.425 -12.174 8.040 1.00 0.00 H new ATOM 304 N ALA A 23 3.643 -9.634 11.368 1.00 0.00 N ATOM 305 CA ALA A 23 2.971 -8.486 11.965 1.00 0.00 C ATOM 306 C ALA A 23 3.320 -7.199 11.226 1.00 0.00 C ATOM 307 O ALA A 23 2.455 -6.360 10.979 1.00 0.00 O ATOM 308 CB ALA A 23 3.337 -8.368 13.437 1.00 0.00 C ATOM 0 H ALA A 23 4.060 -10.276 12.042 1.00 0.00 H new ATOM 0 HA ALA A 23 1.895 -8.641 11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.828 -7.507 13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.030 -9.273 13.962 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.415 -8.240 13.535 1.00 0.00 H new ATOM 314 N ARG A 24 4.594 -7.050 10.876 1.00 0.00 N ATOM 315 CA ARG A 24 5.058 -5.864 10.167 1.00 0.00 C ATOM 316 C ARG A 24 4.199 -5.597 8.934 1.00 0.00 C ATOM 317 O ARG A 24 3.749 -4.474 8.712 1.00 0.00 O ATOM 318 CB ARG A 24 6.522 -6.030 9.756 1.00 0.00 C ATOM 319 CG ARG A 24 7.508 -5.538 10.803 1.00 0.00 C ATOM 320 CD ARG A 24 8.847 -5.177 10.180 1.00 0.00 C ATOM 321 NE ARG A 24 9.911 -5.096 11.178 1.00 0.00 N ATOM 322 CZ ARG A 24 11.193 -4.925 10.873 1.00 0.00 C ATOM 323 NH1 ARG A 24 11.568 -4.818 9.606 1.00 0.00 N ATOM 324 NH2 ARG A 24 12.102 -4.861 11.838 1.00 0.00 N ATOM 0 H ARG A 24 5.323 -7.736 11.072 1.00 0.00 H new ATOM 0 HA ARG A 24 4.971 -5.011 10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.716 -7.083 9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.693 -5.489 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.096 -4.667 11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.653 -6.310 11.559 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.110 -5.922 9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.761 -4.221 9.664 1.00 0.00 H new ATOM 0 HE ARG A 24 9.656 -5.175 12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.872 -4.867 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.553 -4.687 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.817 -4.943 12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.086 -4.730 11.604 1.00 0.00 H new ATOM 338 N GLU A 25 3.977 -6.638 8.137 1.00 0.00 N ATOM 339 CA GLU A 25 3.173 -6.514 6.927 1.00 0.00 C ATOM 340 C GLU A 25 1.691 -6.389 7.268 1.00 0.00 C ATOM 341 O GLU A 25 1.296 -6.523 8.427 1.00 0.00 O ATOM 342 CB GLU A 25 3.398 -7.721 6.014 1.00 0.00 C ATOM 343 CG GLU A 25 4.754 -7.723 5.329 1.00 0.00 C ATOM 344 CD GLU A 25 4.975 -6.492 4.470 1.00 0.00 C ATOM 345 OE1 GLU A 25 3.980 -5.939 3.958 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.144 -6.082 4.312 1.00 0.00 O ATOM 0 H GLU A 25 4.342 -7.575 8.307 1.00 0.00 H new ATOM 0 HA GLU A 25 3.485 -5.609 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.296 -8.634 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.617 -7.742 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.538 -7.780 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.842 -8.615 4.709 1.00 0.00 H new ATOM 353 N LEU A 26 0.876 -6.132 6.251 1.00 0.00 N ATOM 354 CA LEU A 26 -0.563 -5.988 6.442 1.00 0.00 C ATOM 355 C LEU A 26 -1.333 -6.867 5.461 1.00 0.00 C ATOM 356 O LEU A 26 -1.009 -6.920 4.274 1.00 0.00 O ATOM 357 CB LEU A 26 -0.977 -4.526 6.268 1.00 0.00 C ATOM 358 CG LEU A 26 -0.140 -3.497 7.029 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.415 -2.095 6.508 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.425 -3.577 8.522 1.00 0.00 C ATOM 0 H LEU A 26 1.187 -6.019 5.286 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.804 -6.309 7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.939 -4.282 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.016 -4.423 6.582 1.00 0.00 H new ATOM 0 HG LEU A 26 0.914 -3.723 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.189 -1.376 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.161 -2.044 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.471 -1.859 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.179 -2.838 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.481 -3.377 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.177 -4.574 8.887 1.00 0.00 H new ATOM 372 N SER A 27 -2.355 -7.551 5.964 1.00 0.00 N ATOM 373 CA SER A 27 -3.170 -8.429 5.132 1.00 0.00 C ATOM 374 C SER A 27 -4.368 -7.676 4.560 1.00 0.00 C ATOM 375 O SER A 27 -5.084 -6.984 5.283 1.00 0.00 O ATOM 376 CB SER A 27 -3.651 -9.633 5.943 1.00 0.00 C ATOM 377 OG SER A 27 -4.833 -10.184 5.386 1.00 0.00 O ATOM 0 H SER A 27 -2.639 -7.514 6.943 1.00 0.00 H new ATOM 0 HA SER A 27 -2.554 -8.780 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.870 -10.393 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.838 -9.330 6.973 1.00 0.00 H new ATOM 0 HG SER A 27 -5.119 -10.953 5.922 1.00 0.00 H new ATOM 383 N PHE A 28 -4.578 -7.816 3.255 1.00 0.00 N ATOM 384 CA PHE A 28 -5.688 -7.149 2.583 1.00 0.00 C ATOM 385 C PHE A 28 -6.234 -8.011 1.449 1.00 0.00 C ATOM 386 O PHE A 28 -5.609 -8.990 1.041 1.00 0.00 O ATOM 387 CB PHE A 28 -5.239 -5.792 2.038 1.00 0.00 C ATOM 388 CG PHE A 28 -3.909 -5.835 1.341 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.826 -6.170 -0.001 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.743 -5.541 2.028 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.604 -6.211 -0.645 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.518 -5.580 1.389 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.448 -5.916 0.051 1.00 0.00 C ATOM 0 H PHE A 28 -3.994 -8.385 2.642 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.483 -6.995 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.992 -5.422 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.186 -5.079 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.727 -6.402 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.791 -5.278 3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.553 -6.473 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.616 -5.348 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.492 -5.948 -0.450 1.00 0.00 H new ATOM 403 N LYS A 29 -7.405 -7.639 0.943 1.00 0.00 N ATOM 404 CA LYS A 29 -8.038 -8.376 -0.145 1.00 0.00 C ATOM 405 C LYS A 29 -8.095 -7.531 -1.413 1.00 0.00 C ATOM 406 O LYS A 29 -8.287 -6.316 -1.354 1.00 0.00 O ATOM 407 CB LYS A 29 -9.449 -8.808 0.258 1.00 0.00 C ATOM 408 CG LYS A 29 -9.475 -9.992 1.209 1.00 0.00 C ATOM 409 CD LYS A 29 -9.418 -9.544 2.659 1.00 0.00 C ATOM 410 CE LYS A 29 -10.764 -9.015 3.132 1.00 0.00 C ATOM 411 NZ LYS A 29 -11.619 -10.097 3.694 1.00 0.00 N ATOM 0 H LYS A 29 -7.935 -6.831 1.269 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.438 -9.263 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.958 -7.965 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.013 -9.062 -0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.382 -10.574 1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.631 -10.649 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.113 -10.381 3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.661 -8.768 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.607 -8.247 3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.281 -8.540 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.527 -9.696 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.791 -10.818 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.137 -10.534 4.506 1.00 0.00 H new ATOM 425 N LYS A 30 -7.930 -8.180 -2.560 1.00 0.00 N ATOM 426 CA LYS A 30 -7.966 -7.490 -3.843 1.00 0.00 C ATOM 427 C LYS A 30 -9.065 -6.433 -3.862 1.00 0.00 C ATOM 428 O LYS A 30 -10.210 -6.708 -3.505 1.00 0.00 O ATOM 429 CB LYS A 30 -8.187 -8.491 -4.979 1.00 0.00 C ATOM 430 CG LYS A 30 -8.203 -7.854 -6.358 1.00 0.00 C ATOM 431 CD LYS A 30 -8.181 -8.903 -7.457 1.00 0.00 C ATOM 432 CE LYS A 30 -7.979 -8.272 -8.826 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.152 -9.262 -9.924 1.00 0.00 N ATOM 0 H LYS A 30 -7.770 -9.185 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.006 -6.994 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.400 -9.245 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.132 -9.009 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.093 -7.234 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.341 -7.195 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.381 -9.618 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.117 -9.461 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.689 -7.456 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.981 -7.838 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.006 -8.793 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.458 -10.028 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.113 -9.658 -9.887 1.00 0.00 H new ATOM 447 N GLY A 31 -8.710 -5.222 -4.282 1.00 0.00 N ATOM 448 CA GLY A 31 -9.679 -4.143 -4.340 1.00 0.00 C ATOM 449 C GLY A 31 -9.633 -3.256 -3.112 1.00 0.00 C ATOM 450 O GLY A 31 -9.786 -2.039 -3.211 1.00 0.00 O ATOM 0 H GLY A 31 -7.769 -4.969 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.493 -3.539 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.680 -4.563 -4.444 1.00 0.00 H new ATOM 454 N ALA A 32 -9.424 -3.867 -1.950 1.00 0.00 N ATOM 455 CA ALA A 32 -9.358 -3.124 -0.698 1.00 0.00 C ATOM 456 C ALA A 32 -8.598 -1.814 -0.875 1.00 0.00 C ATOM 457 O ALA A 32 -7.645 -1.739 -1.650 1.00 0.00 O ATOM 458 CB ALA A 32 -8.708 -3.971 0.385 1.00 0.00 C ATOM 0 H ALA A 32 -9.298 -4.874 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.377 -2.884 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.665 -3.403 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.294 -4.877 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.698 -4.241 0.078 1.00 0.00 H new ATOM 464 N SER A 33 -9.026 -0.784 -0.153 1.00 0.00 N ATOM 465 CA SER A 33 -8.388 0.525 -0.234 1.00 0.00 C ATOM 466 C SER A 33 -7.245 0.635 0.770 1.00 0.00 C ATOM 467 O SER A 33 -7.430 0.408 1.966 1.00 0.00 O ATOM 468 CB SER A 33 -9.413 1.632 0.018 1.00 0.00 C ATOM 469 OG SER A 33 -8.823 2.914 -0.117 1.00 0.00 O ATOM 0 H SER A 33 -9.812 -0.830 0.495 1.00 0.00 H new ATOM 0 HA SER A 33 -7.979 0.641 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.240 1.533 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.831 1.524 1.019 1.00 0.00 H new ATOM 0 HG SER A 33 -9.499 3.604 0.047 1.00 0.00 H new ATOM 475 N LEU A 34 -6.063 0.985 0.275 1.00 0.00 N ATOM 476 CA LEU A 34 -4.888 1.126 1.128 1.00 0.00 C ATOM 477 C LEU A 34 -4.245 2.498 0.947 1.00 0.00 C ATOM 478 O LEU A 34 -4.091 2.981 -0.175 1.00 0.00 O ATOM 479 CB LEU A 34 -3.870 0.029 0.813 1.00 0.00 C ATOM 480 CG LEU A 34 -4.438 -1.376 0.612 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.511 -2.208 -0.262 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.662 -2.058 1.954 1.00 0.00 C ATOM 0 H LEU A 34 -5.893 1.176 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.209 1.029 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.328 0.312 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.143 -0.007 1.624 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.399 -1.289 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.932 -3.205 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.401 -1.729 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.534 -2.287 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.067 -3.057 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.714 -2.133 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.366 -1.473 2.546 1.00 0.00 H new ATOM 494 N LEU A 35 -3.871 3.121 2.059 1.00 0.00 N ATOM 495 CA LEU A 35 -3.243 4.437 2.025 1.00 0.00 C ATOM 496 C LEU A 35 -1.725 4.319 2.119 1.00 0.00 C ATOM 497 O LEU A 35 -1.195 3.712 3.051 1.00 0.00 O ATOM 498 CB LEU A 35 -3.770 5.306 3.168 1.00 0.00 C ATOM 499 CG LEU A 35 -3.805 6.812 2.906 1.00 0.00 C ATOM 500 CD1 LEU A 35 -5.031 7.183 2.087 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.784 7.582 4.218 1.00 0.00 C ATOM 0 H LEU A 35 -3.992 2.736 2.996 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.494 4.907 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.780 4.977 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.154 5.125 4.049 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.917 7.083 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.039 8.259 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.003 6.659 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.932 6.898 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.809 8.652 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.653 7.307 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.874 7.340 4.768 1.00 0.00 H new ATOM 513 N LEU A 36 -1.030 4.903 1.149 1.00 0.00 N ATOM 514 CA LEU A 36 0.428 4.866 1.123 1.00 0.00 C ATOM 515 C LEU A 36 1.016 6.151 1.696 1.00 0.00 C ATOM 516 O LEU A 36 0.701 7.249 1.236 1.00 0.00 O ATOM 517 CB LEU A 36 0.927 4.656 -0.308 1.00 0.00 C ATOM 518 CG LEU A 36 0.343 3.456 -1.053 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.060 3.250 -2.378 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.430 2.202 -0.196 1.00 0.00 C ATOM 0 H LEU A 36 -1.453 5.408 0.370 1.00 0.00 H new ATOM 0 HA LEU A 36 0.757 4.031 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.710 5.556 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.011 4.549 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.708 3.657 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.631 2.391 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.945 4.140 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.119 3.071 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.010 1.358 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.473 1.996 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.131 2.352 0.727 1.00 0.00 H new ATOM 532 N TYR A 37 1.874 6.007 2.700 1.00 0.00 N ATOM 533 CA TYR A 37 2.506 7.157 3.336 1.00 0.00 C ATOM 534 C TYR A 37 3.856 7.461 2.692 1.00 0.00 C ATOM 535 O TYR A 37 4.149 8.607 2.355 1.00 0.00 O ATOM 536 CB TYR A 37 2.688 6.901 4.833 1.00 0.00 C ATOM 537 CG TYR A 37 1.387 6.836 5.599 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.361 7.738 5.341 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.183 5.875 6.581 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.830 7.683 6.039 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.006 5.812 7.283 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.009 6.718 7.009 1.00 0.00 C ATOM 543 OH TYR A 37 -2.193 6.659 7.706 1.00 0.00 O ATOM 0 H TYR A 37 2.148 5.106 3.091 1.00 0.00 H new ATOM 0 HA TYR A 37 1.855 8.021 3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.227 5.964 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.309 7.691 5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.497 8.494 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.967 5.165 6.800 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.617 8.392 5.827 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.149 5.057 8.042 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.923 6.984 7.139 1.00 0.00 H new ATOM 553 N GLN A 38 4.671 6.425 2.526 1.00 0.00 N ATOM 554 CA GLN A 38 5.990 6.581 1.923 1.00 0.00 C ATOM 555 C GLN A 38 6.609 5.223 1.609 1.00 0.00 C ATOM 556 O GLN A 38 6.354 4.238 2.304 1.00 0.00 O ATOM 557 CB GLN A 38 6.910 7.371 2.854 1.00 0.00 C ATOM 558 CG GLN A 38 8.371 6.965 2.755 1.00 0.00 C ATOM 559 CD GLN A 38 9.315 8.075 3.173 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.585 8.263 4.359 1.00 0.00 O ATOM 561 NE2 GLN A 38 9.824 8.818 2.197 1.00 0.00 N ATOM 0 H GLN A 38 4.442 5.470 2.800 1.00 0.00 H new ATOM 0 HA GLN A 38 5.872 7.131 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.820 8.433 2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.574 7.238 3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.544 6.090 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.594 6.671 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.573 8.627 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.466 9.579 2.417 1.00 0.00 H new ATOM 570 N ARG A 39 7.423 5.177 0.560 1.00 0.00 N ATOM 571 CA ARG A 39 8.077 3.939 0.154 1.00 0.00 C ATOM 572 C ARG A 39 9.245 3.612 1.080 1.00 0.00 C ATOM 573 O ARG A 39 9.992 4.500 1.490 1.00 0.00 O ATOM 574 CB ARG A 39 8.572 4.048 -1.290 1.00 0.00 C ATOM 575 CG ARG A 39 9.060 2.730 -1.868 1.00 0.00 C ATOM 576 CD ARG A 39 7.938 1.979 -2.568 1.00 0.00 C ATOM 577 NE ARG A 39 8.442 1.085 -3.607 1.00 0.00 N ATOM 578 CZ ARG A 39 8.729 1.481 -4.842 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.561 2.750 -5.191 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.184 0.608 -5.731 1.00 0.00 N ATOM 0 H ARG A 39 7.646 5.983 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 39 7.346 3.133 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.765 4.432 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.382 4.776 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.869 2.918 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.471 2.111 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.376 1.401 -1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.244 2.694 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 39 8.581 0.102 -3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.211 3.424 -4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.782 3.052 -6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.314 -0.369 -5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.404 0.913 -6.679 1.00 0.00 H new ATOM 594 N ALA A 40 9.395 2.332 1.405 1.00 0.00 N ATOM 595 CA ALA A 40 10.473 1.889 2.281 1.00 0.00 C ATOM 596 C ALA A 40 11.506 1.074 1.511 1.00 0.00 C ATOM 597 O ALA A 40 12.693 1.091 1.838 1.00 0.00 O ATOM 598 CB ALA A 40 9.911 1.074 3.437 1.00 0.00 C ATOM 0 H ALA A 40 8.784 1.584 1.075 1.00 0.00 H new ATOM 0 HA ALA A 40 10.970 2.773 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.726 0.749 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.216 1.687 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.388 0.201 3.046 1.00 0.00 H new ATOM 604 N SER A 41 11.048 0.362 0.486 1.00 0.00 N ATOM 605 CA SER A 41 11.933 -0.463 -0.328 1.00 0.00 C ATOM 606 C SER A 41 11.368 -0.640 -1.734 1.00 0.00 C ATOM 607 O SER A 41 10.168 -0.481 -1.958 1.00 0.00 O ATOM 608 CB SER A 41 12.137 -1.830 0.328 1.00 0.00 C ATOM 609 OG SER A 41 13.396 -2.380 -0.021 1.00 0.00 O ATOM 0 H SER A 41 10.069 0.340 0.200 1.00 0.00 H new ATOM 0 HA SER A 41 12.895 0.043 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.067 -1.731 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.342 -2.508 0.018 1.00 0.00 H new ATOM 0 HG SER A 41 13.503 -3.253 0.412 1.00 0.00 H new ATOM 615 N ASP A 42 12.242 -0.972 -2.678 1.00 0.00 N ATOM 616 CA ASP A 42 11.833 -1.172 -4.063 1.00 0.00 C ATOM 617 C ASP A 42 10.816 -2.304 -4.171 1.00 0.00 C ATOM 618 O ASP A 42 10.212 -2.512 -5.224 1.00 0.00 O ATOM 619 CB ASP A 42 13.050 -1.478 -4.938 1.00 0.00 C ATOM 620 CG ASP A 42 14.081 -0.367 -4.904 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.860 -0.310 -3.930 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.109 0.445 -5.852 1.00 0.00 O ATOM 0 H ASP A 42 13.239 -1.108 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 42 11.365 -0.252 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.510 -2.407 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.724 -1.636 -5.966 1.00 0.00 H new ATOM 627 N ASP A 43 10.632 -3.033 -3.076 1.00 0.00 N ATOM 628 CA ASP A 43 9.689 -4.145 -3.047 1.00 0.00 C ATOM 629 C ASP A 43 8.842 -4.105 -1.779 1.00 0.00 C ATOM 630 O ASP A 43 8.402 -5.142 -1.282 1.00 0.00 O ATOM 631 CB ASP A 43 10.434 -5.477 -3.136 1.00 0.00 C ATOM 632 CG ASP A 43 11.072 -5.695 -4.494 1.00 0.00 C ATOM 633 OD1 ASP A 43 10.331 -5.717 -5.499 1.00 0.00 O ATOM 634 OD2 ASP A 43 12.310 -5.843 -4.552 1.00 0.00 O ATOM 0 H ASP A 43 11.123 -2.874 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 43 9.027 -4.051 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.205 -5.511 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.741 -6.292 -2.929 1.00 0.00 H new ATOM 639 N TRP A 44 8.618 -2.903 -1.260 1.00 0.00 N ATOM 640 CA TRP A 44 7.824 -2.729 -0.049 1.00 0.00 C ATOM 641 C TRP A 44 7.287 -1.306 0.050 1.00 0.00 C ATOM 642 O TRP A 44 7.778 -0.400 -0.623 1.00 0.00 O ATOM 643 CB TRP A 44 8.664 -3.058 1.187 1.00 0.00 C ATOM 644 CG TRP A 44 8.968 -4.519 1.327 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.200 -5.106 1.299 1.00 0.00 C ATOM 646 CD2 TRP A 44 8.021 -5.576 1.516 1.00 0.00 C ATOM 647 NE1 TRP A 44 10.077 -6.465 1.459 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.751 -6.779 1.595 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.629 -5.625 1.629 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.134 -8.013 1.780 1.00 0.00 C ATOM 651 CZ3 TRP A 44 6.018 -6.851 1.812 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.769 -8.031 1.887 1.00 0.00 C ATOM 0 H TRP A 44 8.975 -2.035 -1.659 1.00 0.00 H new ATOM 0 HA TRP A 44 6.977 -3.414 -0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.601 -2.502 1.139 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.136 -2.717 2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.134 -4.580 1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.848 -7.132 1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.041 -4.721 1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.711 -8.924 1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.943 -6.900 1.899 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.262 -8.973 2.032 1.00 0.00 H new ATOM 663 N TRP A 45 6.278 -1.117 0.892 1.00 0.00 N ATOM 664 CA TRP A 45 5.674 0.198 1.078 1.00 0.00 C ATOM 665 C TRP A 45 5.327 0.435 2.544 1.00 0.00 C ATOM 666 O TRP A 45 5.301 -0.500 3.343 1.00 0.00 O ATOM 667 CB TRP A 45 4.418 0.332 0.216 1.00 0.00 C ATOM 668 CG TRP A 45 4.711 0.698 -1.208 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.069 -0.151 -2.215 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.672 2.010 -1.780 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.256 0.554 -3.380 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.018 1.881 -3.140 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.378 3.280 -1.278 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.077 2.975 -3.999 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.438 4.365 -2.132 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.784 4.207 -3.480 1.00 0.00 C ATOM 0 H TRP A 45 5.861 -1.857 1.457 1.00 0.00 H new ATOM 0 HA TRP A 45 6.400 0.950 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.870 -0.610 0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.766 1.089 0.652 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.188 -1.219 -2.112 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.528 0.154 -4.278 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.108 3.412 -0.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.345 2.856 -5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.214 5.351 -1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.820 5.074 -4.122 1.00 0.00 H new ATOM 687 N GLU A 46 5.063 1.691 2.889 1.00 0.00 N ATOM 688 CA GLU A 46 4.718 2.049 4.260 1.00 0.00 C ATOM 689 C GLU A 46 3.403 2.823 4.307 1.00 0.00 C ATOM 690 O GLU A 46 3.356 4.008 3.980 1.00 0.00 O ATOM 691 CB GLU A 46 5.836 2.884 4.889 1.00 0.00 C ATOM 692 CG GLU A 46 7.213 2.255 4.757 1.00 0.00 C ATOM 693 CD GLU A 46 8.152 2.670 5.873 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.465 3.876 5.967 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.575 1.790 6.651 1.00 0.00 O ATOM 0 H GLU A 46 5.081 2.477 2.239 1.00 0.00 H new ATOM 0 HA GLU A 46 4.597 1.127 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.849 3.869 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.615 3.035 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.114 1.170 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.647 2.537 3.798 1.00 0.00 H new ATOM 702 N GLY A 47 2.337 2.142 4.714 1.00 0.00 N ATOM 703 CA GLY A 47 1.036 2.779 4.796 1.00 0.00 C ATOM 704 C GLY A 47 0.212 2.271 5.962 1.00 0.00 C ATOM 705 O GLY A 47 0.758 1.753 6.937 1.00 0.00 O ATOM 0 H GLY A 47 2.351 1.160 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.168 3.857 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.491 2.606 3.868 1.00 0.00 H new ATOM 709 N ARG A 48 -1.105 2.419 5.864 1.00 0.00 N ATOM 710 CA ARG A 48 -2.004 1.973 6.922 1.00 0.00 C ATOM 711 C ARG A 48 -3.188 1.205 6.340 1.00 0.00 C ATOM 712 O ARG A 48 -3.670 1.519 5.252 1.00 0.00 O ATOM 713 CB ARG A 48 -2.507 3.170 7.731 1.00 0.00 C ATOM 714 CG ARG A 48 -3.554 2.806 8.771 1.00 0.00 C ATOM 715 CD ARG A 48 -4.490 3.971 9.051 1.00 0.00 C ATOM 716 NE ARG A 48 -5.629 3.990 8.138 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.395 5.057 7.940 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.144 6.187 8.588 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.414 4.996 7.093 1.00 0.00 N ATOM 0 H ARG A 48 -1.573 2.844 5.064 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.448 1.306 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.661 3.642 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.927 3.909 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.131 1.949 8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.061 2.504 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.850 3.908 10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.939 4.908 8.963 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.849 3.137 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.361 6.238 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.734 7.005 8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.610 4.129 6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.001 5.816 6.942 1.00 0.00 H new ATOM 733 N HIS A 49 -3.651 0.198 7.074 1.00 0.00 N ATOM 734 CA HIS A 49 -4.778 -0.615 6.631 1.00 0.00 C ATOM 735 C HIS A 49 -5.716 -0.922 7.794 1.00 0.00 C ATOM 736 O HIS A 49 -5.313 -1.529 8.785 1.00 0.00 O ATOM 737 CB HIS A 49 -4.279 -1.918 6.005 1.00 0.00 C ATOM 738 CG HIS A 49 -5.364 -2.925 5.773 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.570 -4.012 6.596 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.306 -3.003 4.805 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.592 -4.716 6.142 1.00 0.00 C ATOM 742 NE2 HIS A 49 -7.056 -4.126 5.057 1.00 0.00 N ATOM 0 H HIS A 49 -3.264 -0.074 7.977 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.331 -0.049 5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.794 -1.693 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.521 -2.356 6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.443 -2.311 3.987 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.981 -5.621 6.584 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.844 -4.451 4.496 1.00 0.00 H new ATOM 751 N ASN A 50 -6.969 -0.498 7.666 1.00 0.00 N ATOM 752 CA ASN A 50 -7.964 -0.726 8.707 1.00 0.00 C ATOM 753 C ASN A 50 -7.447 -0.261 10.065 1.00 0.00 C ATOM 754 O ASN A 50 -7.766 -0.850 11.097 1.00 0.00 O ATOM 755 CB ASN A 50 -8.335 -2.209 8.770 1.00 0.00 C ATOM 756 CG ASN A 50 -9.499 -2.475 9.706 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.637 -2.104 9.419 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.217 -3.120 10.832 1.00 0.00 N ATOM 0 H ASN A 50 -7.319 0.006 6.851 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.853 -0.146 8.459 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.589 -2.560 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.469 -2.784 9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.959 -3.327 11.501 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.259 -3.409 11.028 1.00 0.00 H new ATOM 765 N GLY A 51 -6.647 0.800 10.056 1.00 0.00 N ATOM 766 CA GLY A 51 -6.099 1.327 11.292 1.00 0.00 C ATOM 767 C GLY A 51 -4.881 0.556 11.761 1.00 0.00 C ATOM 768 O GLY A 51 -4.575 0.532 12.954 1.00 0.00 O ATOM 0 H GLY A 51 -6.368 1.304 9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.830 2.374 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.865 1.297 12.067 1.00 0.00 H new ATOM 772 N ILE A 52 -4.186 -0.078 10.823 1.00 0.00 N ATOM 773 CA ILE A 52 -2.996 -0.854 11.147 1.00 0.00 C ATOM 774 C ILE A 52 -1.799 -0.398 10.320 1.00 0.00 C ATOM 775 O ILE A 52 -1.824 -0.454 9.090 1.00 0.00 O ATOM 776 CB ILE A 52 -3.224 -2.359 10.912 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.531 -2.808 11.569 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.050 -3.163 11.451 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.549 -2.617 13.069 1.00 0.00 C ATOM 0 H ILE A 52 -4.427 -0.069 9.832 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.789 -0.686 12.204 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.299 -2.537 9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.359 -2.251 11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.699 -3.861 11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.226 -4.225 11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.136 -2.859 10.941 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.946 -2.983 12.521 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.505 -2.956 13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.742 -3.196 13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.413 -1.561 13.303 1.00 0.00 H new ATOM 791 N ASP A 53 -0.753 0.054 11.002 1.00 0.00 N ATOM 792 CA ASP A 53 0.456 0.518 10.331 1.00 0.00 C ATOM 793 C ASP A 53 1.436 -0.632 10.120 1.00 0.00 C ATOM 794 O ASP A 53 1.747 -1.375 11.050 1.00 0.00 O ATOM 795 CB ASP A 53 1.122 1.629 11.144 1.00 0.00 C ATOM 796 CG ASP A 53 1.849 1.097 12.364 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.178 0.540 13.257 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.088 1.240 12.426 1.00 0.00 O ATOM 0 H ASP A 53 -0.718 0.109 12.020 1.00 0.00 H new ATOM 0 HA ASP A 53 0.171 0.913 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.827 2.166 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.366 2.348 11.460 1.00 0.00 H new ATOM 803 N GLY A 54 1.918 -0.773 8.888 1.00 0.00 N ATOM 804 CA GLY A 54 2.856 -1.836 8.577 1.00 0.00 C ATOM 805 C GLY A 54 3.463 -1.687 7.196 1.00 0.00 C ATOM 806 O GLY A 54 3.607 -0.573 6.689 1.00 0.00 O ATOM 0 H GLY A 54 1.676 -0.171 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.652 -1.844 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.347 -2.797 8.645 1.00 0.00 H new ATOM 810 N LEU A 55 3.821 -2.810 6.584 1.00 0.00 N ATOM 811 CA LEU A 55 4.418 -2.801 5.253 1.00 0.00 C ATOM 812 C LEU A 55 3.426 -3.302 4.208 1.00 0.00 C ATOM 813 O LEU A 55 2.506 -4.057 4.524 1.00 0.00 O ATOM 814 CB LEU A 55 5.679 -3.665 5.231 1.00 0.00 C ATOM 815 CG LEU A 55 6.930 -3.044 5.854 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.049 -4.070 5.939 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.376 -1.829 5.055 1.00 0.00 C ATOM 0 H LEU A 55 3.708 -3.740 6.989 1.00 0.00 H new ATOM 0 HA LEU A 55 4.686 -1.773 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.464 -4.599 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.902 -3.920 4.195 1.00 0.00 H new ATOM 0 HG LEU A 55 6.686 -2.719 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.931 -3.610 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.727 -4.910 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.292 -4.427 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.267 -1.400 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.602 -2.129 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.579 -1.086 5.047 1.00 0.00 H new ATOM 829 N ILE A 56 3.620 -2.878 2.964 1.00 0.00 N ATOM 830 CA ILE A 56 2.745 -3.287 1.873 1.00 0.00 C ATOM 831 C ILE A 56 3.549 -3.658 0.632 1.00 0.00 C ATOM 832 O ILE A 56 4.411 -2.907 0.173 1.00 0.00 O ATOM 833 CB ILE A 56 1.743 -2.175 1.508 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.755 -1.951 2.655 1.00 0.00 C ATOM 835 CG2 ILE A 56 1.004 -2.528 0.226 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.118 -0.580 2.645 1.00 0.00 C ATOM 0 H ILE A 56 4.376 -2.251 2.687 1.00 0.00 H new ATOM 0 HA ILE A 56 2.195 -4.161 2.221 1.00 0.00 H new ATOM 0 HB ILE A 56 2.294 -1.249 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.028 -2.707 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.273 -2.095 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.300 -1.733 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.720 -2.641 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.461 -3.463 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.570 -0.492 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.893 0.182 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.429 -0.440 1.713 1.00 0.00 H new ATOM 848 N PRO A 57 3.263 -4.843 0.073 1.00 0.00 N ATOM 849 CA PRO A 57 3.947 -5.340 -1.124 1.00 0.00 C ATOM 850 C PRO A 57 3.575 -4.551 -2.374 1.00 0.00 C ATOM 851 O PRO A 57 2.424 -4.147 -2.547 1.00 0.00 O ATOM 852 CB PRO A 57 3.456 -6.786 -1.239 1.00 0.00 C ATOM 853 CG PRO A 57 2.137 -6.794 -0.546 1.00 0.00 C ATOM 854 CD PRO A 57 2.248 -5.789 0.567 1.00 0.00 C ATOM 0 HA PRO A 57 5.030 -5.248 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.357 -7.089 -2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.154 -7.480 -0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.334 -6.528 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.907 -7.785 -0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.296 -5.294 0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.556 -6.257 1.502 1.00 0.00 H new ATOM 862 N HIS A 58 4.556 -4.333 -3.245 1.00 0.00 N ATOM 863 CA HIS A 58 4.330 -3.592 -4.481 1.00 0.00 C ATOM 864 C HIS A 58 3.853 -4.522 -5.592 1.00 0.00 C ATOM 865 O HIS A 58 3.600 -4.084 -6.714 1.00 0.00 O ATOM 866 CB HIS A 58 5.611 -2.878 -4.913 1.00 0.00 C ATOM 867 CG HIS A 58 5.442 -2.033 -6.138 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.183 -0.680 -6.089 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.498 -2.357 -7.451 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.085 -0.208 -7.319 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.273 -1.205 -8.164 1.00 0.00 N ATOM 0 H HIS A 58 5.514 -4.659 -3.118 1.00 0.00 H new ATOM 0 HA HIS A 58 3.554 -2.850 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.961 -2.250 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.386 -3.621 -5.098 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.685 -3.338 -7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.885 0.819 -7.588 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.254 -1.132 -9.181 1.00 0.00 H new ATOM 879 N GLN A 59 3.733 -5.806 -5.272 1.00 0.00 N ATOM 880 CA GLN A 59 3.287 -6.797 -6.245 1.00 0.00 C ATOM 881 C GLN A 59 1.795 -7.076 -6.092 1.00 0.00 C ATOM 882 O GLN A 59 1.151 -7.579 -7.013 1.00 0.00 O ATOM 883 CB GLN A 59 4.080 -8.095 -6.082 1.00 0.00 C ATOM 884 CG GLN A 59 5.505 -8.006 -6.604 1.00 0.00 C ATOM 885 CD GLN A 59 5.576 -7.469 -8.020 1.00 0.00 C ATOM 886 OE1 GLN A 59 5.536 -6.258 -8.240 1.00 0.00 O ATOM 887 NE2 GLN A 59 5.682 -8.369 -8.990 1.00 0.00 N ATOM 0 H GLN A 59 3.938 -6.185 -4.347 1.00 0.00 H new ATOM 0 HA GLN A 59 3.463 -6.395 -7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.105 -8.366 -5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.560 -8.897 -6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.089 -7.363 -5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.962 -8.995 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.712 -9.363 -8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.734 -8.067 -9.963 1.00 0.00 H new ATOM 896 N TYR A 60 1.253 -6.747 -4.925 1.00 0.00 N ATOM 897 CA TYR A 60 -0.163 -6.966 -4.652 1.00 0.00 C ATOM 898 C TYR A 60 -0.892 -5.639 -4.465 1.00 0.00 C ATOM 899 O TYR A 60 -1.855 -5.549 -3.702 1.00 0.00 O ATOM 900 CB TYR A 60 -0.334 -7.835 -3.405 1.00 0.00 C ATOM 901 CG TYR A 60 0.327 -9.190 -3.515 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.709 -9.306 -3.600 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.430 -10.355 -3.533 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.317 -10.542 -3.702 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.170 -11.595 -3.633 1.00 0.00 C ATOM 906 CZ TYR A 60 1.543 -11.683 -3.718 1.00 0.00 C ATOM 907 OH TYR A 60 2.146 -12.917 -3.818 1.00 0.00 O ATOM 0 H TYR A 60 1.772 -6.328 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.598 -7.481 -5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.079 -7.307 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.398 -7.974 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.318 -8.414 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.506 -10.290 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.393 -10.614 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.433 -12.491 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 60 1.460 -13.617 -3.815 1.00 0.00 H new ATOM 917 N ILE A 61 -0.427 -4.612 -5.168 1.00 0.00 N ATOM 918 CA ILE A 61 -1.036 -3.290 -5.082 1.00 0.00 C ATOM 919 C ILE A 61 -0.663 -2.434 -6.288 1.00 0.00 C ATOM 920 O ILE A 61 0.368 -2.653 -6.924 1.00 0.00 O ATOM 921 CB ILE A 61 -0.611 -2.557 -3.796 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.897 -2.300 -3.804 1.00 0.00 C ATOM 923 CG2 ILE A 61 -1.010 -3.365 -2.570 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.282 -0.981 -4.434 1.00 0.00 C ATOM 0 H ILE A 61 0.369 -4.670 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.115 -3.440 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.124 -1.596 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.267 -2.325 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.392 -3.108 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.703 -2.834 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.091 -3.501 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.522 -4.339 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.366 -0.866 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.943 -0.960 -5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.816 -0.165 -3.883 1.00 0.00 H new ATOM 936 N VAL A 62 -1.509 -1.456 -6.597 1.00 0.00 N ATOM 937 CA VAL A 62 -1.268 -0.565 -7.725 1.00 0.00 C ATOM 938 C VAL A 62 -1.224 0.891 -7.275 1.00 0.00 C ATOM 939 O VAL A 62 -2.218 1.433 -6.791 1.00 0.00 O ATOM 940 CB VAL A 62 -2.352 -0.723 -8.808 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.104 0.242 -9.957 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.400 -2.159 -9.307 1.00 0.00 C ATOM 0 H VAL A 62 -2.367 -1.261 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.302 -0.842 -8.146 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.320 -0.483 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.880 0.116 -10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.125 1.266 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.129 0.037 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.171 -2.253 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.433 -2.429 -9.732 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.630 -2.826 -8.476 1.00 0.00 H new ATOM 952 N VAL A 63 -0.065 1.521 -7.438 1.00 0.00 N ATOM 953 CA VAL A 63 0.110 2.915 -7.049 1.00 0.00 C ATOM 954 C VAL A 63 -0.466 3.855 -8.103 1.00 0.00 C ATOM 955 O VAL A 63 0.025 3.913 -9.230 1.00 0.00 O ATOM 956 CB VAL A 63 1.596 3.255 -6.830 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.769 4.742 -6.561 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.169 2.428 -5.690 1.00 0.00 C ATOM 0 H VAL A 63 0.767 1.087 -7.837 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.427 3.052 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 63 2.145 3.008 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.825 4.964 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.398 5.311 -7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.208 5.018 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.220 2.681 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.619 2.641 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.080 1.368 -5.929 1.00 0.00 H new