USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 95:sc= 0.443 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -13:sc= 1.04 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 53:sc= 0.0596 USER MOD Single : A 48 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 55:sc= -2.06 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -163:sc= 0 (180deg=-0.38) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -17.190 -13.458 -18.482 1.00 0.00 N ATOM 96 CA GLY A 7 -18.283 -13.711 -17.558 1.00 0.00 C ATOM 97 C GLY A 7 -17.755 -14.013 -16.154 1.00 0.00 C ATOM 98 O GLY A 7 -18.112 -13.332 -15.194 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.943 -12.844 -17.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.879 -14.551 -17.915 1.00 0.00 H new ATOM 102 N TYR A 8 -16.914 -15.033 -16.079 1.00 0.00 N ATOM 103 CA TYR A 8 -16.334 -15.433 -14.808 1.00 0.00 C ATOM 104 C TYR A 8 -15.762 -14.226 -14.063 1.00 0.00 C ATOM 105 O TYR A 8 -16.036 -14.036 -12.879 1.00 0.00 O ATOM 106 CB TYR A 8 -15.193 -16.394 -15.149 1.00 0.00 C ATOM 107 CG TYR A 8 -14.917 -17.441 -14.068 1.00 0.00 C ATOM 108 CD1 TYR A 8 -15.687 -18.585 -14.003 1.00 0.00 C ATOM 109 CD2 TYR A 8 -13.899 -17.241 -13.158 1.00 0.00 C ATOM 110 CE1 TYR A 8 -15.427 -19.570 -12.985 1.00 0.00 C ATOM 111 CE2 TYR A 8 -13.640 -18.226 -12.140 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.416 -19.342 -12.104 1.00 0.00 C ATOM 113 OH TYR A 8 -14.171 -20.272 -11.143 1.00 0.00 O ATOM 0 H TYR A 8 -16.620 -15.595 -16.878 1.00 0.00 H new ATOM 0 HA TYR A 8 -17.089 -15.890 -14.168 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.428 -16.904 -16.083 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.285 -15.817 -15.321 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -16.484 -18.741 -14.715 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.297 -16.346 -13.209 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.021 -20.470 -12.922 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.847 -18.082 -11.421 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.420 -19.977 -10.586 1.00 0.00 H new ATOM 123 N ALA A 9 -14.977 -13.441 -14.786 1.00 0.00 N ATOM 124 CA ALA A 9 -14.364 -12.258 -14.208 1.00 0.00 C ATOM 125 C ALA A 9 -15.454 -11.356 -13.626 1.00 0.00 C ATOM 126 O ALA A 9 -15.255 -10.725 -12.589 1.00 0.00 O ATOM 127 CB ALA A 9 -13.525 -11.546 -15.272 1.00 0.00 C ATOM 0 H ALA A 9 -14.751 -13.602 -15.768 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.694 -12.533 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.065 -10.658 -14.838 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.747 -12.219 -15.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.165 -11.253 -16.104 1.00 0.00 H new ATOM 133 N ALA A 10 -16.584 -11.325 -14.319 1.00 0.00 N ATOM 134 CA ALA A 10 -17.706 -10.511 -13.884 1.00 0.00 C ATOM 135 C ALA A 10 -18.329 -11.136 -12.633 1.00 0.00 C ATOM 136 O ALA A 10 -18.883 -10.429 -11.792 1.00 0.00 O ATOM 137 CB ALA A 10 -18.711 -10.373 -15.029 1.00 0.00 C ATOM 0 H ALA A 10 -16.746 -11.850 -15.178 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.373 -9.507 -13.620 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.553 -9.762 -14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.227 -9.898 -15.882 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.070 -11.360 -15.319 1.00 0.00 H new ATOM 143 N LEU A 11 -18.217 -12.453 -12.551 1.00 0.00 N ATOM 144 CA LEU A 11 -18.762 -13.181 -11.417 1.00 0.00 C ATOM 145 C LEU A 11 -17.996 -12.792 -10.151 1.00 0.00 C ATOM 146 O LEU A 11 -18.586 -12.291 -9.195 1.00 0.00 O ATOM 147 CB LEU A 11 -18.764 -14.685 -11.697 1.00 0.00 C ATOM 148 CG LEU A 11 -20.064 -15.425 -11.378 1.00 0.00 C ATOM 149 CD1 LEU A 11 -20.390 -15.343 -9.885 1.00 0.00 C ATOM 150 CD2 LEU A 11 -21.215 -14.910 -12.245 1.00 0.00 C ATOM 0 H LEU A 11 -17.757 -13.035 -13.251 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.805 -12.909 -11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -18.531 -14.839 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -17.958 -15.142 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.925 -16.479 -11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -21.319 -15.877 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.581 -15.795 -9.311 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.502 -14.299 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.127 -15.453 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.364 -13.846 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.975 -15.063 -13.297 1.00 0.00 H new ATOM 162 N VAL A 12 -16.695 -13.037 -10.186 1.00 0.00 N ATOM 163 CA VAL A 12 -15.843 -12.719 -9.053 1.00 0.00 C ATOM 164 C VAL A 12 -16.017 -11.243 -8.688 1.00 0.00 C ATOM 165 O VAL A 12 -16.281 -10.913 -7.533 1.00 0.00 O ATOM 166 CB VAL A 12 -14.392 -13.089 -9.369 1.00 0.00 C ATOM 167 CG1 VAL A 12 -13.446 -12.573 -8.283 1.00 0.00 C ATOM 168 CG2 VAL A 12 -14.240 -14.600 -9.556 1.00 0.00 C ATOM 0 H VAL A 12 -16.210 -13.452 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.132 -13.306 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.120 -12.606 -10.308 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.421 -12.849 -8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.524 -11.488 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.718 -13.014 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.200 -14.836 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.540 -15.112 -8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.872 -14.930 -10.380 1.00 0.00 H new ATOM 178 N THR A 13 -15.863 -10.395 -9.694 1.00 0.00 N ATOM 179 CA THR A 13 -16.000 -8.963 -9.494 1.00 0.00 C ATOM 180 C THR A 13 -17.338 -8.643 -8.825 1.00 0.00 C ATOM 181 O THR A 13 -17.389 -8.377 -7.626 1.00 0.00 O ATOM 182 CB THR A 13 -15.819 -8.276 -10.849 1.00 0.00 C ATOM 183 OG1 THR A 13 -14.425 -8.403 -11.119 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.048 -6.765 -10.776 1.00 0.00 C ATOM 0 H THR A 13 -15.644 -10.673 -10.651 1.00 0.00 H new ATOM 0 HA THR A 13 -15.235 -8.584 -8.817 1.00 0.00 H new ATOM 0 HB THR A 13 -16.508 -8.713 -11.572 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.270 -9.195 -11.676 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.907 -6.327 -11.764 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.064 -6.567 -10.433 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.337 -6.322 -10.078 1.00 0.00 H new ATOM 192 N PHE A 14 -18.390 -8.681 -9.631 1.00 0.00 N ATOM 193 CA PHE A 14 -19.725 -8.399 -9.132 1.00 0.00 C ATOM 194 C PHE A 14 -19.944 -9.038 -7.759 1.00 0.00 C ATOM 195 O PHE A 14 -20.592 -8.451 -6.894 1.00 0.00 O ATOM 196 CB PHE A 14 -20.713 -9.009 -10.129 1.00 0.00 C ATOM 197 CG PHE A 14 -22.176 -8.915 -9.692 1.00 0.00 C ATOM 198 CD1 PHE A 14 -22.853 -7.743 -9.830 1.00 0.00 C ATOM 199 CD2 PHE A 14 -22.800 -10.002 -9.165 1.00 0.00 C ATOM 200 CE1 PHE A 14 -24.211 -7.655 -9.425 1.00 0.00 C ATOM 201 CE2 PHE A 14 -24.158 -9.915 -8.760 1.00 0.00 C ATOM 202 CZ PHE A 14 -24.835 -8.743 -8.898 1.00 0.00 C ATOM 0 H PHE A 14 -18.344 -8.903 -10.626 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.864 -7.323 -9.028 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.599 -8.508 -11.090 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.457 -10.057 -10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.357 -6.879 -10.248 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -22.262 -10.932 -9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.748 -6.725 -9.535 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.653 -10.779 -8.342 1.00 0.00 H new ATOM 0 HZ PHE A 14 -25.868 -8.676 -8.589 1.00 0.00 H new ATOM 212 N GLY A 15 -19.391 -10.232 -7.603 1.00 0.00 N ATOM 213 CA GLY A 15 -19.518 -10.957 -6.350 1.00 0.00 C ATOM 214 C GLY A 15 -18.800 -10.222 -5.216 1.00 0.00 C ATOM 215 O GLY A 15 -19.413 -9.437 -4.495 1.00 0.00 O ATOM 0 H GLY A 15 -18.854 -10.715 -8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.572 -11.077 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.101 -11.958 -6.461 1.00 0.00 H new ATOM 219 N SER A 16 -17.511 -10.504 -5.095 1.00 0.00 N ATOM 220 CA SER A 16 -16.703 -9.879 -4.061 1.00 0.00 C ATOM 221 C SER A 16 -17.107 -8.413 -3.895 1.00 0.00 C ATOM 222 O SER A 16 -17.346 -7.954 -2.779 1.00 0.00 O ATOM 223 CB SER A 16 -15.212 -9.985 -4.389 1.00 0.00 C ATOM 224 OG SER A 16 -14.399 -9.428 -3.360 1.00 0.00 O ATOM 0 H SER A 16 -17.006 -11.156 -5.695 1.00 0.00 H new ATOM 0 HA SER A 16 -16.880 -10.406 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.946 -11.032 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.010 -9.471 -5.329 1.00 0.00 H new ATOM 0 HG SER A 16 -13.454 -9.516 -3.606 1.00 0.00 H new ATOM 230 N ILE A 17 -17.171 -7.719 -5.022 1.00 0.00 N ATOM 231 CA ILE A 17 -17.543 -6.314 -5.015 1.00 0.00 C ATOM 232 C ILE A 17 -18.805 -6.129 -4.171 1.00 0.00 C ATOM 233 O ILE A 17 -18.821 -5.327 -3.238 1.00 0.00 O ATOM 234 CB ILE A 17 -17.677 -5.788 -6.445 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.315 -5.743 -7.143 1.00 0.00 C ATOM 236 CG2 ILE A 17 -18.377 -4.428 -6.466 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.306 -4.936 -6.323 1.00 0.00 C ATOM 0 H ILE A 17 -16.972 -8.103 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.759 -5.715 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.304 -6.481 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.943 -6.757 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.424 -5.299 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -18.459 -4.077 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -19.373 -4.525 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.798 -3.712 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.347 -4.919 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.670 -3.916 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.182 -5.397 -5.343 1.00 0.00 H new ATOM 249 N PHE A 18 -19.834 -6.885 -4.528 1.00 0.00 N ATOM 250 CA PHE A 18 -21.098 -6.814 -3.816 1.00 0.00 C ATOM 251 C PHE A 18 -20.909 -7.137 -2.332 1.00 0.00 C ATOM 252 O PHE A 18 -21.645 -6.633 -1.485 1.00 0.00 O ATOM 253 CB PHE A 18 -22.023 -7.861 -4.440 1.00 0.00 C ATOM 254 CG PHE A 18 -23.360 -8.020 -3.715 1.00 0.00 C ATOM 255 CD1 PHE A 18 -24.363 -7.128 -3.933 1.00 0.00 C ATOM 256 CD2 PHE A 18 -23.547 -9.055 -2.853 1.00 0.00 C ATOM 257 CE1 PHE A 18 -25.605 -7.276 -3.261 1.00 0.00 C ATOM 258 CE2 PHE A 18 -24.789 -9.204 -2.180 1.00 0.00 C ATOM 259 CZ PHE A 18 -25.791 -8.311 -2.398 1.00 0.00 C ATOM 0 H PHE A 18 -19.817 -7.550 -5.301 1.00 0.00 H new ATOM 0 HA PHE A 18 -21.512 -5.809 -3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -22.214 -7.589 -5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -21.511 -8.823 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -24.215 -6.306 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -22.751 -9.764 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -26.401 -6.567 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -24.937 -10.026 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 18 -26.735 -8.423 -1.886 1.00 0.00 H new ATOM 269 N GLY A 19 -19.920 -7.976 -2.063 1.00 0.00 N ATOM 270 CA GLY A 19 -19.625 -8.372 -0.696 1.00 0.00 C ATOM 271 C GLY A 19 -18.869 -7.268 0.044 1.00 0.00 C ATOM 272 O GLY A 19 -18.913 -7.195 1.271 1.00 0.00 O ATOM 0 H GLY A 19 -19.312 -8.393 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -20.553 -8.597 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.031 -9.286 -0.699 1.00 0.00 H new ATOM 276 N TYR A 20 -18.191 -6.435 -0.733 1.00 0.00 N ATOM 277 CA TYR A 20 -17.426 -5.338 -0.166 1.00 0.00 C ATOM 278 C TYR A 20 -16.780 -5.747 1.159 1.00 0.00 C ATOM 279 O TYR A 20 -16.632 -4.925 2.062 1.00 0.00 O ATOM 280 CB TYR A 20 -18.430 -4.214 0.096 1.00 0.00 C ATOM 281 CG TYR A 20 -17.921 -2.823 -0.287 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.479 -2.579 -1.571 1.00 0.00 C ATOM 283 CD2 TYR A 20 -17.905 -1.812 0.652 1.00 0.00 C ATOM 284 CE1 TYR A 20 -17.000 -1.270 -1.931 1.00 0.00 C ATOM 285 CE2 TYR A 20 -17.426 -0.502 0.292 1.00 0.00 C ATOM 286 CZ TYR A 20 -16.997 -0.296 -0.982 1.00 0.00 C ATOM 287 OH TYR A 20 -16.545 0.941 -1.322 1.00 0.00 O ATOM 0 H TYR A 20 -18.156 -6.498 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 20 -16.628 -5.036 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.344 -4.421 -0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.693 -4.215 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.492 -3.370 -2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.252 -2.003 1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.651 -1.066 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.408 0.298 1.017 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.602 1.535 -0.545 1.00 0.00 H new ATOM 297 N LYS A 21 -16.412 -7.018 1.234 1.00 0.00 N ATOM 298 CA LYS A 21 -15.785 -7.546 2.433 1.00 0.00 C ATOM 299 C LYS A 21 -15.359 -8.995 2.185 1.00 0.00 C ATOM 300 O LYS A 21 -15.461 -9.492 1.065 1.00 0.00 O ATOM 301 CB LYS A 21 -16.708 -7.374 3.641 1.00 0.00 C ATOM 302 CG LYS A 21 -17.830 -8.415 3.625 1.00 0.00 C ATOM 303 CD LYS A 21 -19.128 -7.831 4.187 1.00 0.00 C ATOM 304 CE LYS A 21 -20.029 -8.934 4.745 1.00 0.00 C ATOM 305 NZ LYS A 21 -20.478 -8.593 6.114 1.00 0.00 N ATOM 0 H LYS A 21 -16.536 -7.697 0.483 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.882 -6.984 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.131 -7.470 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.137 -6.372 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.995 -8.762 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.533 -9.284 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.897 -7.113 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.656 -7.287 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.894 -9.069 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.489 -9.881 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.089 -9.352 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.650 -8.487 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.011 -7.700 6.092 1.00 0.00 H new ATOM 319 N ARG A 22 -14.891 -9.630 3.249 1.00 0.00 N ATOM 320 CA ARG A 22 -14.450 -11.012 3.161 1.00 0.00 C ATOM 321 C ARG A 22 -13.281 -11.135 2.181 1.00 0.00 C ATOM 322 O ARG A 22 -13.313 -11.963 1.272 1.00 0.00 O ATOM 323 CB ARG A 22 -15.588 -11.926 2.704 1.00 0.00 C ATOM 324 CG ARG A 22 -16.541 -12.236 3.861 1.00 0.00 C ATOM 325 CD ARG A 22 -16.086 -13.480 4.626 1.00 0.00 C ATOM 326 NE ARG A 22 -17.084 -14.562 4.472 1.00 0.00 N ATOM 327 CZ ARG A 22 -16.950 -15.788 4.996 1.00 0.00 C ATOM 328 NH1 ARG A 22 -15.859 -16.096 5.711 1.00 0.00 N ATOM 329 NH2 ARG A 22 -17.907 -16.707 4.805 1.00 0.00 N ATOM 0 H ARG A 22 -14.807 -9.214 4.176 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.129 -11.321 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.138 -11.450 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -15.177 -12.855 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.585 -11.384 4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.549 -12.390 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.117 -13.812 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.957 -13.241 5.682 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.927 -14.362 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.130 -15.397 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.757 -17.029 6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.737 -16.473 4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.805 -17.640 5.204 1.00 0.00 H new ATOM 343 N ARG A 23 -12.277 -10.298 2.399 1.00 0.00 N ATOM 344 CA ARG A 23 -11.101 -10.302 1.546 1.00 0.00 C ATOM 345 C ARG A 23 -11.513 -10.254 0.073 1.00 0.00 C ATOM 346 O ARG A 23 -12.700 -10.177 -0.241 1.00 0.00 O ATOM 347 CB ARG A 23 -10.249 -11.549 1.789 1.00 0.00 C ATOM 348 CG ARG A 23 -9.402 -11.397 3.054 1.00 0.00 C ATOM 349 CD ARG A 23 -7.912 -11.328 2.712 1.00 0.00 C ATOM 350 NE ARG A 23 -7.117 -11.140 3.946 1.00 0.00 N ATOM 351 CZ ARG A 23 -6.743 -12.139 4.757 1.00 0.00 C ATOM 352 NH1 ARG A 23 -7.090 -13.401 4.470 1.00 0.00 N ATOM 353 NH2 ARG A 23 -6.023 -11.876 5.856 1.00 0.00 N ATOM 0 H ARG A 23 -12.254 -9.613 3.154 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.511 -9.419 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.895 -12.422 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.600 -11.723 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.698 -10.494 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.587 -12.238 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.604 -12.243 2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.727 -10.505 2.021 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.836 -10.191 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.639 -13.601 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.805 -14.161 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.760 -10.915 6.075 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.738 -12.636 6.473 1.00 0.00 H new ATOM 367 N GLY A 24 -10.510 -10.300 -0.791 1.00 0.00 N ATOM 368 CA GLY A 24 -10.753 -10.262 -2.223 1.00 0.00 C ATOM 369 C GLY A 24 -9.559 -10.825 -2.997 1.00 0.00 C ATOM 370 O GLY A 24 -8.969 -10.132 -3.824 1.00 0.00 O ATOM 0 H GLY A 24 -9.527 -10.363 -0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.648 -10.838 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.943 -9.235 -2.536 1.00 0.00 H new ATOM 374 N GLY A 25 -9.239 -12.076 -2.701 1.00 0.00 N ATOM 375 CA GLY A 25 -8.126 -12.740 -3.358 1.00 0.00 C ATOM 376 C GLY A 25 -6.789 -12.269 -2.782 1.00 0.00 C ATOM 377 O GLY A 25 -5.979 -13.082 -2.340 1.00 0.00 O ATOM 0 H GLY A 25 -9.731 -12.648 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.219 -13.819 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.157 -12.536 -4.428 1.00 0.00 H new ATOM 381 N VAL A 26 -6.600 -10.958 -2.806 1.00 0.00 N ATOM 382 CA VAL A 26 -5.375 -10.370 -2.292 1.00 0.00 C ATOM 383 C VAL A 26 -5.044 -10.995 -0.935 1.00 0.00 C ATOM 384 O VAL A 26 -5.932 -11.491 -0.243 1.00 0.00 O ATOM 385 CB VAL A 26 -5.512 -8.847 -2.230 1.00 0.00 C ATOM 386 CG1 VAL A 26 -5.661 -8.253 -3.633 1.00 0.00 C ATOM 387 CG2 VAL A 26 -6.682 -8.437 -1.334 1.00 0.00 C ATOM 0 H VAL A 26 -7.274 -10.287 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.540 -10.582 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.598 -8.446 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.757 -7.170 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.782 -8.501 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.550 -8.665 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.757 -7.350 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.608 -8.855 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.517 -8.814 -0.325 1.00 0.00 H new ATOM 397 N PRO A 27 -3.730 -10.950 -0.587 1.00 0.00 N ATOM 398 CA PRO A 27 -3.271 -11.507 0.675 1.00 0.00 C ATOM 399 C PRO A 27 -3.648 -10.596 1.845 1.00 0.00 C ATOM 400 O PRO A 27 -4.501 -10.947 2.660 1.00 0.00 O ATOM 401 CB PRO A 27 -1.769 -11.670 0.509 1.00 0.00 C ATOM 402 CG PRO A 27 -1.378 -10.774 -0.655 1.00 0.00 C ATOM 403 CD PRO A 27 -2.651 -10.371 -1.381 1.00 0.00 C ATOM 0 HA PRO A 27 -3.739 -12.463 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.242 -11.381 1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.509 -12.709 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.848 -9.892 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.703 -11.299 -1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.744 -9.287 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.662 -10.752 -2.402 1.00 0.00 H new ATOM 411 N SER A 28 -2.995 -9.445 1.891 1.00 0.00 N ATOM 412 CA SER A 28 -3.251 -8.481 2.949 1.00 0.00 C ATOM 413 C SER A 28 -3.333 -7.070 2.362 1.00 0.00 C ATOM 414 O SER A 28 -3.261 -6.085 3.095 1.00 0.00 O ATOM 415 CB SER A 28 -2.167 -8.546 4.027 1.00 0.00 C ATOM 416 OG SER A 28 -1.024 -7.769 3.682 1.00 0.00 O ATOM 0 H SER A 28 -2.289 -9.157 1.213 1.00 0.00 H new ATOM 0 HA SER A 28 -4.204 -8.729 3.416 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.575 -8.190 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.868 -9.583 4.178 1.00 0.00 H new ATOM 0 HG SER A 28 -0.356 -7.835 4.396 1.00 0.00 H new ATOM 422 N LEU A 29 -3.481 -7.018 1.047 1.00 0.00 N ATOM 423 CA LEU A 29 -3.574 -5.745 0.354 1.00 0.00 C ATOM 424 C LEU A 29 -4.463 -4.794 1.158 1.00 0.00 C ATOM 425 O LEU A 29 -4.059 -3.675 1.469 1.00 0.00 O ATOM 426 CB LEU A 29 -4.042 -5.952 -1.088 1.00 0.00 C ATOM 427 CG LEU A 29 -4.111 -4.695 -1.958 1.00 0.00 C ATOM 428 CD1 LEU A 29 -3.266 -4.857 -3.223 1.00 0.00 C ATOM 429 CD2 LEU A 29 -5.562 -4.330 -2.281 1.00 0.00 C ATOM 0 H LEU A 29 -3.539 -7.838 0.443 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.591 -5.279 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.372 -6.665 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.031 -6.409 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.688 -3.865 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.332 -3.950 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.227 -5.034 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.636 -5.703 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.582 -3.433 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.033 -5.153 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.105 -4.144 -1.355 1.00 0.00 H new ATOM 441 N ILE A 30 -5.656 -5.276 1.473 1.00 0.00 N ATOM 442 CA ILE A 30 -6.606 -4.483 2.235 1.00 0.00 C ATOM 443 C ILE A 30 -5.899 -3.876 3.448 1.00 0.00 C ATOM 444 O ILE A 30 -5.998 -2.675 3.692 1.00 0.00 O ATOM 445 CB ILE A 30 -7.835 -5.320 2.595 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.685 -5.607 1.356 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.648 -4.651 3.706 1.00 0.00 C ATOM 448 CD1 ILE A 30 -9.646 -6.771 1.607 1.00 0.00 C ATOM 0 H ILE A 30 -5.987 -6.206 1.215 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.979 -3.653 1.634 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.493 -6.281 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.251 -4.716 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.036 -5.842 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.516 -5.266 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.027 -4.541 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.980 -3.668 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.238 -6.954 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.076 -7.667 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.309 -6.523 2.436 1.00 0.00 H new ATOM 460 N ALA A 31 -5.200 -4.734 4.177 1.00 0.00 N ATOM 461 CA ALA A 31 -4.477 -4.298 5.359 1.00 0.00 C ATOM 462 C ALA A 31 -3.551 -3.138 4.985 1.00 0.00 C ATOM 463 O ALA A 31 -3.420 -2.176 5.740 1.00 0.00 O ATOM 464 CB ALA A 31 -3.716 -5.482 5.958 1.00 0.00 C ATOM 0 H ALA A 31 -5.119 -5.730 3.971 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.168 -3.937 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.174 -5.155 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.421 -6.266 6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.010 -5.870 5.224 1.00 0.00 H new ATOM 470 N GLY A 32 -2.932 -3.269 3.821 1.00 0.00 N ATOM 471 CA GLY A 32 -2.022 -2.244 3.338 1.00 0.00 C ATOM 472 C GLY A 32 -2.773 -0.950 3.018 1.00 0.00 C ATOM 473 O GLY A 32 -2.217 0.140 3.138 1.00 0.00 O ATOM 0 H GLY A 32 -3.043 -4.069 3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.257 -2.048 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.508 -2.600 2.445 1.00 0.00 H new ATOM 477 N LEU A 33 -4.026 -1.114 2.618 1.00 0.00 N ATOM 478 CA LEU A 33 -4.859 0.027 2.281 1.00 0.00 C ATOM 479 C LEU A 33 -5.183 0.811 3.554 1.00 0.00 C ATOM 480 O LEU A 33 -4.858 1.992 3.660 1.00 0.00 O ATOM 481 CB LEU A 33 -6.097 -0.424 1.504 1.00 0.00 C ATOM 482 CG LEU A 33 -6.714 0.612 0.563 1.00 0.00 C ATOM 483 CD1 LEU A 33 -7.031 -0.005 -0.801 1.00 0.00 C ATOM 484 CD2 LEU A 33 -7.944 1.265 1.196 1.00 0.00 C ATOM 0 H LEU A 33 -4.484 -2.020 2.520 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.324 0.706 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.833 -1.305 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.858 -0.733 2.220 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.980 1.401 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.469 0.753 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.113 -0.383 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.737 -0.825 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.363 1.997 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.691 0.501 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.656 1.763 2.122 1.00 0.00 H new ATOM 496 N PHE A 34 -5.820 0.121 4.489 1.00 0.00 N ATOM 497 CA PHE A 34 -6.192 0.738 5.751 1.00 0.00 C ATOM 498 C PHE A 34 -4.992 1.435 6.395 1.00 0.00 C ATOM 499 O PHE A 34 -5.065 2.615 6.736 1.00 0.00 O ATOM 500 CB PHE A 34 -6.670 -0.385 6.674 1.00 0.00 C ATOM 501 CG PHE A 34 -8.182 -0.401 6.903 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.024 -0.674 5.870 1.00 0.00 C ATOM 503 CD2 PHE A 34 -8.686 -0.143 8.140 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.428 -0.688 6.083 1.00 0.00 C ATOM 505 CE2 PHE A 34 -10.090 -0.158 8.353 1.00 0.00 C ATOM 506 CZ PHE A 34 -10.931 -0.430 7.320 1.00 0.00 C ATOM 0 H PHE A 34 -6.088 -0.859 4.398 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.967 1.486 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.367 -1.343 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.168 -0.288 7.637 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.625 -0.880 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.018 0.073 8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.096 -0.904 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.490 0.047 9.335 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.999 -0.441 7.482 1.00 0.00 H new ATOM 516 N VAL A 35 -3.916 0.676 6.543 1.00 0.00 N ATOM 517 CA VAL A 35 -2.703 1.207 7.140 1.00 0.00 C ATOM 518 C VAL A 35 -2.193 2.377 6.296 1.00 0.00 C ATOM 519 O VAL A 35 -1.666 3.350 6.832 1.00 0.00 O ATOM 520 CB VAL A 35 -1.668 0.092 7.301 1.00 0.00 C ATOM 521 CG1 VAL A 35 -2.197 -1.020 8.210 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.246 -0.467 5.941 1.00 0.00 C ATOM 0 H VAL A 35 -3.859 -0.302 6.260 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.907 1.591 8.139 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.785 0.522 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.442 -1.800 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.424 -0.609 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.103 -1.444 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.510 -1.258 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.118 -0.872 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.809 0.330 5.340 1.00 0.00 H new ATOM 532 N GLY A 36 -2.369 2.243 4.989 1.00 0.00 N ATOM 533 CA GLY A 36 -1.934 3.277 4.066 1.00 0.00 C ATOM 534 C GLY A 36 -2.621 4.610 4.372 1.00 0.00 C ATOM 535 O GLY A 36 -1.998 5.524 4.910 1.00 0.00 O ATOM 0 H GLY A 36 -2.807 1.434 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.853 3.397 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.159 2.974 3.043 1.00 0.00 H new ATOM 539 N CYS A 37 -3.895 4.678 4.016 1.00 0.00 N ATOM 540 CA CYS A 37 -4.673 5.883 4.246 1.00 0.00 C ATOM 541 C CYS A 37 -4.466 6.320 5.697 1.00 0.00 C ATOM 542 O CYS A 37 -4.541 7.507 6.009 1.00 0.00 O ATOM 543 CB CYS A 37 -6.153 5.673 3.919 1.00 0.00 C ATOM 544 SG CYS A 37 -6.842 4.342 4.969 1.00 0.00 S ATOM 0 H CYS A 37 -4.408 3.918 3.570 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.330 6.672 3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.705 6.599 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.268 5.414 2.867 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.872 3.704 5.553 1.00 0.00 H new ATOM 550 N LEU A 38 -4.209 5.336 6.547 1.00 0.00 N ATOM 551 CA LEU A 38 -3.990 5.603 7.958 1.00 0.00 C ATOM 552 C LEU A 38 -2.804 6.557 8.114 1.00 0.00 C ATOM 553 O LEU A 38 -2.956 7.661 8.634 1.00 0.00 O ATOM 554 CB LEU A 38 -3.832 4.293 8.733 1.00 0.00 C ATOM 555 CG LEU A 38 -5.064 3.819 9.506 1.00 0.00 C ATOM 556 CD1 LEU A 38 -5.043 2.300 9.692 1.00 0.00 C ATOM 557 CD2 LEU A 38 -5.193 4.557 10.840 1.00 0.00 C ATOM 0 H LEU A 38 -4.148 4.352 6.285 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.858 6.100 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.545 3.511 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.008 4.407 9.437 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.949 4.060 8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.930 1.989 10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.034 1.814 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.150 2.014 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.077 4.201 11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.307 4.370 11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.287 5.627 10.656 1.00 0.00 H new ATOM 569 N ALA A 39 -1.651 6.096 7.654 1.00 0.00 N ATOM 570 CA ALA A 39 -0.440 6.895 7.736 1.00 0.00 C ATOM 571 C ALA A 39 -0.620 8.173 6.915 1.00 0.00 C ATOM 572 O ALA A 39 -0.386 9.273 7.414 1.00 0.00 O ATOM 573 CB ALA A 39 0.754 6.062 7.263 1.00 0.00 C ATOM 0 H ALA A 39 -1.529 5.179 7.223 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.245 7.190 8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.663 6.661 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.857 5.181 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.594 5.750 6.231 1.00 0.00 H new ATOM 579 N GLY A 40 -1.036 7.986 5.671 1.00 0.00 N ATOM 580 CA GLY A 40 -1.250 9.111 4.777 1.00 0.00 C ATOM 581 C GLY A 40 -2.258 10.098 5.369 1.00 0.00 C ATOM 582 O GLY A 40 -1.872 11.119 5.935 1.00 0.00 O ATOM 0 H GLY A 40 -1.230 7.072 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.303 9.619 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.611 8.751 3.814 1.00 0.00 H new ATOM 586 N TYR A 41 -3.530 9.758 5.219 1.00 0.00 N ATOM 587 CA TYR A 41 -4.596 10.601 5.732 1.00 0.00 C ATOM 588 C TYR A 41 -4.310 11.030 7.173 1.00 0.00 C ATOM 589 O TYR A 41 -4.289 12.221 7.477 1.00 0.00 O ATOM 590 CB TYR A 41 -5.861 9.742 5.710 1.00 0.00 C ATOM 591 CG TYR A 41 -7.147 10.534 5.466 1.00 0.00 C ATOM 592 CD1 TYR A 41 -7.825 11.095 6.530 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.630 10.689 4.182 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.035 11.840 6.301 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.840 11.435 3.953 1.00 0.00 C ATOM 596 CZ TYR A 41 -9.483 11.974 5.024 1.00 0.00 C ATOM 597 OH TYR A 41 -10.626 12.678 4.807 1.00 0.00 O ATOM 0 H TYR A 41 -3.846 8.910 4.749 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.694 11.504 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.760 8.985 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.946 9.214 6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.447 10.975 7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.100 10.251 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.575 12.283 7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.228 11.564 2.954 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.825 12.692 3.847 1.00 0.00 H new ATOM 607 N GLY A 42 -4.098 10.035 8.021 1.00 0.00 N ATOM 608 CA GLY A 42 -3.815 10.294 9.423 1.00 0.00 C ATOM 609 C GLY A 42 -2.735 11.367 9.575 1.00 0.00 C ATOM 610 O GLY A 42 -2.930 12.353 10.284 1.00 0.00 O ATOM 0 H GLY A 42 -4.116 9.048 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.726 10.616 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.489 9.374 9.908 1.00 0.00 H new ATOM 614 N ALA A 43 -1.620 11.139 8.897 1.00 0.00 N ATOM 615 CA ALA A 43 -0.509 12.074 8.947 1.00 0.00 C ATOM 616 C ALA A 43 -1.007 13.472 8.573 1.00 0.00 C ATOM 617 O ALA A 43 -0.555 14.467 9.137 1.00 0.00 O ATOM 618 CB ALA A 43 0.610 11.588 8.024 1.00 0.00 C ATOM 0 H ALA A 43 -1.462 10.320 8.310 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.099 12.129 9.955 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.443 12.290 8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.949 10.604 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.236 11.523 7.002 1.00 0.00 H new ATOM 624 N TYR A 44 -1.931 13.502 7.624 1.00 0.00 N ATOM 625 CA TYR A 44 -2.495 14.761 7.168 1.00 0.00 C ATOM 626 C TYR A 44 -3.490 15.318 8.189 1.00 0.00 C ATOM 627 O TYR A 44 -3.682 16.529 8.276 1.00 0.00 O ATOM 628 CB TYR A 44 -3.240 14.444 5.870 1.00 0.00 C ATOM 629 CG TYR A 44 -4.514 15.265 5.667 1.00 0.00 C ATOM 630 CD1 TYR A 44 -5.663 14.939 6.360 1.00 0.00 C ATOM 631 CD2 TYR A 44 -4.516 16.331 4.791 1.00 0.00 C ATOM 632 CE1 TYR A 44 -6.862 15.712 6.169 1.00 0.00 C ATOM 633 CE2 TYR A 44 -5.716 17.104 4.600 1.00 0.00 C ATOM 634 CZ TYR A 44 -6.830 16.756 5.298 1.00 0.00 C ATOM 635 OH TYR A 44 -7.963 17.486 5.118 1.00 0.00 O ATOM 0 H TYR A 44 -2.303 12.674 7.158 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.710 15.505 7.029 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.571 14.617 5.027 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.497 13.385 5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.662 14.104 7.045 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.618 16.586 4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.767 15.468 6.706 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.731 17.941 3.918 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.792 18.200 4.469 1.00 0.00 H new ATOM 645 N ARG A 45 -4.095 14.406 8.936 1.00 0.00 N ATOM 646 CA ARG A 45 -5.065 14.791 9.948 1.00 0.00 C ATOM 647 C ARG A 45 -4.352 15.191 11.241 1.00 0.00 C ATOM 648 O ARG A 45 -4.582 16.277 11.770 1.00 0.00 O ATOM 649 CB ARG A 45 -6.037 13.647 10.242 1.00 0.00 C ATOM 650 CG ARG A 45 -7.384 13.882 9.557 1.00 0.00 C ATOM 651 CD ARG A 45 -8.092 15.104 10.145 1.00 0.00 C ATOM 652 NE ARG A 45 -8.888 14.707 11.328 1.00 0.00 N ATOM 653 CZ ARG A 45 -8.412 14.682 12.580 1.00 0.00 C ATOM 654 NH1 ARG A 45 -7.140 15.030 12.820 1.00 0.00 N ATOM 655 NH2 ARG A 45 -9.207 14.308 13.592 1.00 0.00 N ATOM 0 H ARG A 45 -3.933 13.402 8.861 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.628 15.641 9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.610 12.705 9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.183 13.557 11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.232 14.025 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.014 13.001 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.358 15.859 10.427 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.741 15.555 9.394 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.860 14.435 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.535 15.314 12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.777 15.011 13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.175 14.042 13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.844 14.289 14.545 1.00 0.00 H new ATOM 669 N VAL A 46 -3.501 14.291 11.713 1.00 0.00 N ATOM 670 CA VAL A 46 -2.754 14.537 12.934 1.00 0.00 C ATOM 671 C VAL A 46 -1.857 15.761 12.741 1.00 0.00 C ATOM 672 O VAL A 46 -1.468 16.410 13.711 1.00 0.00 O ATOM 673 CB VAL A 46 -1.974 13.282 13.332 1.00 0.00 C ATOM 674 CG1 VAL A 46 -0.780 13.060 12.402 1.00 0.00 C ATOM 675 CG2 VAL A 46 -1.525 13.355 14.793 1.00 0.00 C ATOM 0 H VAL A 46 -3.313 13.391 11.272 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.432 14.758 13.758 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.642 12.427 13.229 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.243 12.162 12.707 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.134 12.941 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.111 13.919 12.457 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.973 12.451 15.050 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.883 14.224 14.933 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.399 13.442 15.438 1.00 0.00 H new ATOM 685 N SER A 47 -1.554 16.041 11.482 1.00 0.00 N ATOM 686 CA SER A 47 -0.711 17.176 11.149 1.00 0.00 C ATOM 687 C SER A 47 -0.745 17.428 9.640 1.00 0.00 C ATOM 688 O SER A 47 -1.389 16.688 8.897 1.00 0.00 O ATOM 689 CB SER A 47 0.728 16.949 11.617 1.00 0.00 C ATOM 690 OG SER A 47 1.066 17.778 12.725 1.00 0.00 O ATOM 0 H SER A 47 -1.878 15.501 10.680 1.00 0.00 H new ATOM 0 HA SER A 47 -1.099 18.054 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.858 15.903 11.894 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.413 17.148 10.793 1.00 0.00 H new ATOM 0 HG SER A 47 0.403 17.659 13.437 1.00 0.00 H new ATOM 696 N ASN A 48 -0.043 18.475 9.231 1.00 0.00 N ATOM 697 CA ASN A 48 0.015 18.834 7.825 1.00 0.00 C ATOM 698 C ASN A 48 -1.397 19.139 7.321 1.00 0.00 C ATOM 699 O ASN A 48 -2.380 18.800 7.978 1.00 0.00 O ATOM 700 CB ASN A 48 0.579 17.685 6.986 1.00 0.00 C ATOM 701 CG ASN A 48 0.826 18.130 5.543 1.00 0.00 C ATOM 702 OD1 ASN A 48 0.193 17.670 4.607 1.00 0.00 O ATOM 703 ND2 ASN A 48 1.780 19.047 5.416 1.00 0.00 N ATOM 0 H ASN A 48 0.490 19.086 9.849 1.00 0.00 H new ATOM 0 HA ASN A 48 0.663 19.705 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.512 17.332 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.117 16.846 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.021 19.408 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.271 19.390 6.242 1.00 0.00 H new ATOM 710 N ASP A 49 -1.453 19.775 6.161 1.00 0.00 N ATOM 711 CA ASP A 49 -2.728 20.129 5.562 1.00 0.00 C ATOM 712 C ASP A 49 -2.789 19.575 4.137 1.00 0.00 C ATOM 713 O ASP A 49 -3.752 18.903 3.769 1.00 0.00 O ATOM 714 CB ASP A 49 -2.899 21.648 5.486 1.00 0.00 C ATOM 715 CG ASP A 49 -3.479 22.297 6.745 1.00 0.00 C ATOM 716 OD1 ASP A 49 -2.668 22.364 7.746 1.00 0.00 O ATOM 717 OD2 ASP A 49 -4.645 22.716 6.767 1.00 0.00 O ATOM 0 H ASP A 49 -0.635 20.055 5.619 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.519 19.708 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.928 22.098 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.547 21.884 4.642 1.00 0.00 H new ATOM 780 N VAL A 53 4.137 12.917 0.208 1.00 0.00 N ATOM 781 CA VAL A 53 4.464 11.788 -0.646 1.00 0.00 C ATOM 782 C VAL A 53 5.465 10.883 0.074 1.00 0.00 C ATOM 783 O VAL A 53 5.247 9.678 0.191 1.00 0.00 O ATOM 784 CB VAL A 53 4.974 12.285 -2.000 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.819 11.215 -2.694 1.00 0.00 C ATOM 786 CG2 VAL A 53 3.814 12.732 -2.892 1.00 0.00 C ATOM 0 HA VAL A 53 3.574 11.192 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 53 5.612 13.151 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.169 11.594 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.676 10.966 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.215 10.322 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.204 13.081 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.139 11.892 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.271 13.542 -2.404 1.00 0.00 H new ATOM 796 N LYS A 54 6.543 11.498 0.539 1.00 0.00 N ATOM 797 CA LYS A 54 7.578 10.763 1.245 1.00 0.00 C ATOM 798 C LYS A 54 6.926 9.759 2.198 1.00 0.00 C ATOM 799 O LYS A 54 7.378 8.621 2.309 1.00 0.00 O ATOM 800 CB LYS A 54 8.544 11.729 1.936 1.00 0.00 C ATOM 801 CG LYS A 54 7.783 12.796 2.724 1.00 0.00 C ATOM 802 CD LYS A 54 7.929 12.575 4.230 1.00 0.00 C ATOM 803 CE LYS A 54 7.094 13.587 5.017 1.00 0.00 C ATOM 804 NZ LYS A 54 7.937 14.298 6.004 1.00 0.00 N ATOM 0 H LYS A 54 6.722 12.497 0.440 1.00 0.00 H new ATOM 0 HA LYS A 54 8.184 10.189 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.200 11.175 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.181 12.207 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.158 13.785 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.728 12.772 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.615 11.563 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.978 12.664 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.641 14.304 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.278 13.075 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.355 14.981 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.349 13.611 6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.700 14.802 5.509 1.00 0.00 H new ATOM 818 N VAL A 55 5.875 10.218 2.861 1.00 0.00 N ATOM 819 CA VAL A 55 5.156 9.374 3.800 1.00 0.00 C ATOM 820 C VAL A 55 5.015 7.969 3.212 1.00 0.00 C ATOM 821 O VAL A 55 5.380 6.985 3.853 1.00 0.00 O ATOM 822 CB VAL A 55 3.812 10.013 4.154 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.916 10.124 2.919 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.112 9.234 5.270 1.00 0.00 C ATOM 0 H VAL A 55 5.504 11.163 2.767 1.00 0.00 H new ATOM 0 HA VAL A 55 5.712 9.281 4.733 1.00 0.00 H new ATOM 0 HB VAL A 55 4.006 11.021 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.967 10.581 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.408 10.740 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.734 9.130 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.159 9.709 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.936 8.209 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.741 9.228 6.160 1.00 0.00 H new ATOM 834 N SER A 56 4.483 7.921 1.999 1.00 0.00 N ATOM 835 CA SER A 56 4.289 6.652 1.318 1.00 0.00 C ATOM 836 C SER A 56 5.562 5.809 1.409 1.00 0.00 C ATOM 837 O SER A 56 5.509 4.637 1.779 1.00 0.00 O ATOM 838 CB SER A 56 3.899 6.868 -0.146 1.00 0.00 C ATOM 839 OG SER A 56 2.493 7.033 -0.305 1.00 0.00 O ATOM 0 H SER A 56 4.181 8.740 1.471 1.00 0.00 H new ATOM 0 HA SER A 56 3.474 6.121 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.413 7.748 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.234 6.017 -0.740 1.00 0.00 H new ATOM 0 HG SER A 56 2.285 7.170 -1.253 1.00 0.00 H new ATOM 845 N LEU A 57 6.676 6.438 1.066 1.00 0.00 N ATOM 846 CA LEU A 57 7.961 5.759 1.105 1.00 0.00 C ATOM 847 C LEU A 57 8.195 5.200 2.510 1.00 0.00 C ATOM 848 O LEU A 57 8.718 4.097 2.664 1.00 0.00 O ATOM 849 CB LEU A 57 9.074 6.691 0.621 1.00 0.00 C ATOM 850 CG LEU A 57 9.964 6.147 -0.499 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.720 6.900 -1.808 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.437 6.172 -0.089 1.00 0.00 C ATOM 0 H LEU A 57 6.716 7.410 0.760 1.00 0.00 H new ATOM 0 HA LEU A 57 7.965 4.912 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.619 7.620 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.707 6.941 1.472 1.00 0.00 H new ATOM 0 HG LEU A 57 9.696 5.105 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.365 6.494 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.677 6.786 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.944 7.957 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.048 5.780 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.737 7.197 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.578 5.556 0.799 1.00 0.00 H new ATOM 864 N PHE A 58 7.797 5.986 3.499 1.00 0.00 N ATOM 865 CA PHE A 58 7.957 5.584 4.886 1.00 0.00 C ATOM 866 C PHE A 58 7.025 4.420 5.230 1.00 0.00 C ATOM 867 O PHE A 58 7.314 3.634 6.131 1.00 0.00 O ATOM 868 CB PHE A 58 7.585 6.792 5.748 1.00 0.00 C ATOM 869 CG PHE A 58 8.494 6.992 6.963 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.506 6.071 7.963 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.289 8.093 7.043 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.349 6.257 9.090 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.132 8.279 8.170 1.00 0.00 C ATOM 874 CZ PHE A 58 10.144 7.357 9.170 1.00 0.00 C ATOM 0 H PHE A 58 7.364 6.900 3.367 1.00 0.00 H new ATOM 0 HA PHE A 58 8.982 5.258 5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.618 7.690 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.557 6.678 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.874 5.198 7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.279 8.825 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.359 5.525 9.884 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.764 9.153 8.233 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.785 7.499 10.028 1.00 0.00 H new ATOM 884 N THR A 59 5.925 4.348 4.496 1.00 0.00 N ATOM 885 CA THR A 59 4.948 3.294 4.712 1.00 0.00 C ATOM 886 C THR A 59 5.473 1.962 4.170 1.00 0.00 C ATOM 887 O THR A 59 5.426 0.946 4.861 1.00 0.00 O ATOM 888 CB THR A 59 3.630 3.733 4.073 1.00 0.00 C ATOM 889 OG1 THR A 59 3.096 4.680 4.994 1.00 0.00 O ATOM 890 CG2 THR A 59 2.589 2.611 4.047 1.00 0.00 C ATOM 0 H THR A 59 5.688 5.003 3.750 1.00 0.00 H new ATOM 0 HA THR A 59 4.771 3.130 5.775 1.00 0.00 H new ATOM 0 HB THR A 59 3.817 4.078 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.240 5.018 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.672 2.976 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.976 1.769 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.376 2.288 5.066 1.00 0.00 H new ATOM 898 N ALA A 60 5.960 2.011 2.939 1.00 0.00 N ATOM 899 CA ALA A 60 6.492 0.821 2.297 1.00 0.00 C ATOM 900 C ALA A 60 7.694 0.311 3.095 1.00 0.00 C ATOM 901 O ALA A 60 7.843 -0.893 3.298 1.00 0.00 O ATOM 902 CB ALA A 60 6.850 1.142 0.844 1.00 0.00 C ATOM 0 H ALA A 60 5.997 2.856 2.369 1.00 0.00 H new ATOM 0 HA ALA A 60 5.746 0.027 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.249 0.250 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.957 1.472 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.599 1.933 0.820 1.00 0.00 H new ATOM 908 N PHE A 61 8.521 1.253 3.525 1.00 0.00 N ATOM 909 CA PHE A 61 9.705 0.914 4.295 1.00 0.00 C ATOM 910 C PHE A 61 9.327 0.225 5.608 1.00 0.00 C ATOM 911 O PHE A 61 9.820 -0.861 5.908 1.00 0.00 O ATOM 912 CB PHE A 61 10.424 2.227 4.611 1.00 0.00 C ATOM 913 CG PHE A 61 11.946 2.095 4.709 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.670 1.743 3.613 1.00 0.00 C ATOM 915 CD2 PHE A 61 12.574 2.330 5.892 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.081 1.621 3.703 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.986 2.208 5.983 1.00 0.00 C ATOM 918 CZ PHE A 61 14.710 1.856 4.886 1.00 0.00 C ATOM 0 H PHE A 61 8.394 2.251 3.355 1.00 0.00 H new ATOM 0 HA PHE A 61 10.336 0.231 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.182 2.957 3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.042 2.621 5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.171 1.556 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.999 2.609 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.655 1.342 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 61 14.485 2.395 6.923 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.784 1.763 4.955 1.00 0.00 H new ATOM 928 N PHE A 62 8.454 0.885 6.355 1.00 0.00 N ATOM 929 CA PHE A 62 8.004 0.350 7.629 1.00 0.00 C ATOM 930 C PHE A 62 7.356 -1.025 7.448 1.00 0.00 C ATOM 931 O PHE A 62 7.648 -1.956 8.197 1.00 0.00 O ATOM 932 CB PHE A 62 6.960 1.324 8.179 1.00 0.00 C ATOM 933 CG PHE A 62 6.780 1.250 9.697 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.566 2.003 10.512 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.833 0.433 10.230 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.399 1.935 11.920 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.665 0.365 11.639 1.00 0.00 C ATOM 938 CZ PHE A 62 6.452 1.117 12.454 1.00 0.00 C ATOM 0 H PHE A 62 8.046 1.785 6.102 1.00 0.00 H new ATOM 0 HA PHE A 62 8.851 0.237 8.305 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.246 2.340 7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.002 1.123 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.317 2.653 10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.208 -0.164 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.024 2.533 12.567 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.913 -0.284 12.063 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.325 1.065 13.525 1.00 0.00 H new ATOM 948 N LEU A 63 6.490 -1.108 6.449 1.00 0.00 N ATOM 949 CA LEU A 63 5.799 -2.353 6.159 1.00 0.00 C ATOM 950 C LEU A 63 6.828 -3.449 5.877 1.00 0.00 C ATOM 951 O LEU A 63 6.836 -4.485 6.541 1.00 0.00 O ATOM 952 CB LEU A 63 4.787 -2.154 5.030 1.00 0.00 C ATOM 953 CG LEU A 63 3.445 -2.871 5.197 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.650 -4.369 5.430 1.00 0.00 C ATOM 955 CD2 LEU A 63 2.614 -2.226 6.307 1.00 0.00 C ATOM 0 H LEU A 63 6.251 -0.333 5.830 1.00 0.00 H new ATOM 0 HA LEU A 63 5.218 -2.676 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.595 -1.086 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.242 -2.489 4.098 1.00 0.00 H new ATOM 0 HG LEU A 63 2.882 -2.764 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.681 -4.855 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.174 -4.802 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.241 -4.519 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.666 -2.754 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.160 -2.282 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.424 -1.182 6.059 1.00 0.00 H new ATOM 967 N ALA A 64 7.673 -3.184 4.892 1.00 0.00 N ATOM 968 CA ALA A 64 8.705 -4.134 4.513 1.00 0.00 C ATOM 969 C ALA A 64 9.466 -4.578 5.764 1.00 0.00 C ATOM 970 O ALA A 64 9.576 -5.773 6.037 1.00 0.00 O ATOM 971 CB ALA A 64 9.623 -3.502 3.465 1.00 0.00 C ATOM 0 H ALA A 64 7.664 -2.324 4.344 1.00 0.00 H new ATOM 0 HA ALA A 64 8.262 -5.023 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.397 -4.215 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.039 -3.231 2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.088 -2.608 3.881 1.00 0.00 H new ATOM 977 N THR A 65 9.973 -3.593 6.490 1.00 0.00 N ATOM 978 CA THR A 65 10.721 -3.867 7.705 1.00 0.00 C ATOM 979 C THR A 65 9.882 -4.706 8.671 1.00 0.00 C ATOM 980 O THR A 65 10.423 -5.487 9.451 1.00 0.00 O ATOM 981 CB THR A 65 11.171 -2.529 8.295 1.00 0.00 C ATOM 982 OG1 THR A 65 10.032 -1.685 8.151 1.00 0.00 O ATOM 983 CG2 THR A 65 12.249 -1.848 7.449 1.00 0.00 C ATOM 0 H THR A 65 9.881 -2.604 6.260 1.00 0.00 H new ATOM 0 HA THR A 65 11.610 -4.462 7.496 1.00 0.00 H new ATOM 0 HB THR A 65 11.549 -2.687 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.256 -2.108 8.573 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.532 -0.903 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.123 -2.496 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.861 -1.659 6.448 1.00 0.00 H new ATOM 991 N ILE A 66 8.573 -4.515 8.586 1.00 0.00 N ATOM 992 CA ILE A 66 7.654 -5.244 9.442 1.00 0.00 C ATOM 993 C ILE A 66 7.513 -6.678 8.928 1.00 0.00 C ATOM 994 O ILE A 66 7.283 -7.601 9.708 1.00 0.00 O ATOM 995 CB ILE A 66 6.323 -4.498 9.557 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.420 -3.354 10.569 1.00 0.00 C ATOM 997 CG2 ILE A 66 5.181 -5.461 9.889 1.00 0.00 C ATOM 998 CD1 ILE A 66 6.487 -3.892 12.000 1.00 0.00 C ATOM 0 H ILE A 66 8.128 -3.866 7.937 1.00 0.00 H new ATOM 0 HA ILE A 66 8.047 -5.306 10.457 1.00 0.00 H new ATOM 0 HB ILE A 66 6.097 -4.052 8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.305 -2.753 10.361 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.557 -2.697 10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.247 -4.905 9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.095 -6.209 9.101 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.387 -5.956 10.838 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.555 -3.059 12.699 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.589 -4.472 12.213 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.365 -4.529 12.108 1.00 0.00 H new ATOM 1010 N MET A 67 7.656 -6.820 7.619 1.00 0.00 N ATOM 1011 CA MET A 67 7.547 -8.126 6.991 1.00 0.00 C ATOM 1012 C MET A 67 8.895 -8.851 6.997 1.00 0.00 C ATOM 1013 O MET A 67 9.025 -9.921 7.589 1.00 0.00 O ATOM 1014 CB MET A 67 7.062 -7.961 5.550 1.00 0.00 C ATOM 1015 CG MET A 67 6.023 -9.027 5.195 1.00 0.00 C ATOM 1016 SD MET A 67 5.369 -8.723 3.563 1.00 0.00 S ATOM 1017 CE MET A 67 4.324 -10.158 3.375 1.00 0.00 C ATOM 0 H MET A 67 7.847 -6.052 6.975 1.00 0.00 H new ATOM 0 HA MET A 67 6.832 -8.723 7.558 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.630 -6.969 5.420 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.909 -8.032 4.867 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.477 -10.017 5.235 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.215 -9.017 5.927 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.835 -10.127 2.401 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.930 -11.061 3.448 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.568 -10.163 4.161 1.00 0.00 H new ATOM 1027 N GLY A 68 9.863 -8.239 6.331 1.00 0.00 N ATOM 1028 CA GLY A 68 11.196 -8.812 6.252 1.00 0.00 C ATOM 1029 C GLY A 68 11.575 -9.120 4.802 1.00 0.00 C ATOM 1030 O GLY A 68 11.562 -10.277 4.385 1.00 0.00 O ATOM 0 H GLY A 68 9.751 -7.352 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.920 -8.119 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.239 -9.726 6.845 1.00 0.00 H new ATOM 1231 N PRO A 79 6.476 -10.714 -2.176 1.00 0.00 N ATOM 1232 CA PRO A 79 6.017 -9.429 -1.677 1.00 0.00 C ATOM 1233 C PRO A 79 6.273 -8.320 -2.699 1.00 0.00 C ATOM 1234 O PRO A 79 5.658 -7.257 -2.634 1.00 0.00 O ATOM 1235 CB PRO A 79 6.772 -9.221 -0.374 1.00 0.00 C ATOM 1236 CG PRO A 79 7.960 -10.168 -0.425 1.00 0.00 C ATOM 1237 CD PRO A 79 7.720 -11.157 -1.554 1.00 0.00 C ATOM 0 HA PRO A 79 4.941 -9.404 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.101 -8.187 -0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.136 -9.438 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.883 -9.613 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.071 -10.692 0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.544 -11.151 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.633 -12.176 -1.176 1.00 0.00 H new ATOM 1245 N ALA A 80 7.181 -8.606 -3.620 1.00 0.00 N ATOM 1246 CA ALA A 80 7.526 -7.646 -4.655 1.00 0.00 C ATOM 1247 C ALA A 80 6.250 -6.977 -5.169 1.00 0.00 C ATOM 1248 O ALA A 80 6.181 -5.753 -5.262 1.00 0.00 O ATOM 1249 CB ALA A 80 8.304 -8.352 -5.767 1.00 0.00 C ATOM 0 H ALA A 80 7.689 -9.489 -3.671 1.00 0.00 H new ATOM 0 HA ALA A 80 8.170 -6.863 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.563 -7.632 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.216 -8.785 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.689 -9.143 -6.196 1.00 0.00 H new ATOM 1255 N GLY A 81 5.271 -7.810 -5.490 1.00 0.00 N ATOM 1256 CA GLY A 81 4.001 -7.315 -5.993 1.00 0.00 C ATOM 1257 C GLY A 81 3.565 -6.059 -5.237 1.00 0.00 C ATOM 1258 O GLY A 81 3.287 -5.027 -5.847 1.00 0.00 O ATOM 0 H GLY A 81 5.332 -8.825 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.089 -7.092 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.239 -8.088 -5.891 1.00 0.00 H new ATOM 1262 N LEU A 82 3.518 -6.186 -3.919 1.00 0.00 N ATOM 1263 CA LEU A 82 3.120 -5.074 -3.073 1.00 0.00 C ATOM 1264 C LEU A 82 3.874 -3.815 -3.505 1.00 0.00 C ATOM 1265 O LEU A 82 3.269 -2.762 -3.705 1.00 0.00 O ATOM 1266 CB LEU A 82 3.311 -5.428 -1.597 1.00 0.00 C ATOM 1267 CG LEU A 82 2.095 -5.212 -0.693 1.00 0.00 C ATOM 1268 CD1 LEU A 82 1.709 -3.733 -0.637 1.00 0.00 C ATOM 1269 CD2 LEU A 82 0.924 -6.095 -1.128 1.00 0.00 C ATOM 0 H LEU A 82 3.749 -7.043 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 82 2.057 -4.867 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.607 -6.475 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.139 -4.837 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 82 2.365 -5.512 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.842 -3.607 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.544 -3.154 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.465 -3.382 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.073 -5.922 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.645 -5.850 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.218 -7.143 -1.073 1.00 0.00 H new ATOM 1281 N VAL A 83 5.184 -3.964 -3.637 1.00 0.00 N ATOM 1282 CA VAL A 83 6.027 -2.852 -4.042 1.00 0.00 C ATOM 1283 C VAL A 83 5.518 -2.290 -5.371 1.00 0.00 C ATOM 1284 O VAL A 83 5.486 -1.075 -5.564 1.00 0.00 O ATOM 1285 CB VAL A 83 7.489 -3.298 -4.103 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.393 -2.153 -4.563 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.949 -3.852 -2.753 1.00 0.00 C ATOM 0 H VAL A 83 5.682 -4.838 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 83 5.977 -2.048 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 83 7.565 -4.100 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.427 -2.497 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.087 -1.824 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.311 -1.321 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.992 -4.162 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.851 -3.080 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.333 -4.710 -2.483 1.00 0.00 H new ATOM 1297 N ALA A 84 5.132 -3.200 -6.253 1.00 0.00 N ATOM 1298 CA ALA A 84 4.626 -2.810 -7.559 1.00 0.00 C ATOM 1299 C ALA A 84 3.332 -2.014 -7.382 1.00 0.00 C ATOM 1300 O ALA A 84 3.023 -1.137 -8.188 1.00 0.00 O ATOM 1301 CB ALA A 84 4.431 -4.057 -8.424 1.00 0.00 C ATOM 0 H ALA A 84 5.159 -4.206 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 84 5.341 -2.167 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.052 -3.765 -9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.385 -4.570 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.717 -4.725 -7.943 1.00 0.00 H new ATOM 1307 N GLY A 85 2.609 -2.348 -6.323 1.00 0.00 N ATOM 1308 CA GLY A 85 1.355 -1.675 -6.031 1.00 0.00 C ATOM 1309 C GLY A 85 1.602 -0.261 -5.502 1.00 0.00 C ATOM 1310 O GLY A 85 1.011 0.701 -5.991 1.00 0.00 O ATOM 0 H GLY A 85 2.868 -3.076 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.745 -1.628 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.793 -2.249 -5.295 1.00 0.00 H new ATOM 1314 N LEU A 86 2.476 -0.179 -4.510 1.00 0.00 N ATOM 1315 CA LEU A 86 2.808 1.102 -3.909 1.00 0.00 C ATOM 1316 C LEU A 86 3.296 2.060 -4.998 1.00 0.00 C ATOM 1317 O LEU A 86 2.969 3.245 -4.979 1.00 0.00 O ATOM 1318 CB LEU A 86 3.805 0.914 -2.763 1.00 0.00 C ATOM 1319 CG LEU A 86 3.411 -0.104 -1.692 1.00 0.00 C ATOM 1320 CD1 LEU A 86 4.638 -0.853 -1.170 1.00 0.00 C ATOM 1321 CD2 LEU A 86 2.624 0.564 -0.563 1.00 0.00 C ATOM 0 H LEU A 86 2.965 -0.979 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 86 1.923 1.553 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.763 0.613 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.959 1.879 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 86 2.753 -0.843 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.330 -1.571 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.120 -1.381 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.340 -0.142 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.356 -0.182 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.237 1.338 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.717 1.013 -0.968 1.00 0.00 H new ATOM 1333 N SER A 87 4.070 1.510 -5.922 1.00 0.00 N ATOM 1334 CA SER A 87 4.606 2.300 -7.016 1.00 0.00 C ATOM 1335 C SER A 87 3.469 2.792 -7.913 1.00 0.00 C ATOM 1336 O SER A 87 3.335 3.992 -8.151 1.00 0.00 O ATOM 1337 CB SER A 87 5.617 1.494 -7.835 1.00 0.00 C ATOM 1338 OG SER A 87 6.959 1.763 -7.441 1.00 0.00 O ATOM 0 H SER A 87 4.339 0.526 -5.935 1.00 0.00 H new ATOM 0 HA SER A 87 5.125 3.160 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.412 0.430 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.496 1.728 -8.893 1.00 0.00 H new ATOM 0 HG SER A 87 7.573 1.228 -7.986 1.00 0.00 H new ATOM 1344 N LEU A 88 2.677 1.841 -8.386 1.00 0.00 N ATOM 1345 CA LEU A 88 1.555 2.162 -9.251 1.00 0.00 C ATOM 1346 C LEU A 88 0.734 3.287 -8.617 1.00 0.00 C ATOM 1347 O LEU A 88 0.290 4.202 -9.309 1.00 0.00 O ATOM 1348 CB LEU A 88 0.740 0.905 -9.561 1.00 0.00 C ATOM 1349 CG LEU A 88 0.353 0.701 -11.027 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -0.483 1.874 -11.543 1.00 0.00 C ATOM 1351 CD2 LEU A 88 1.592 0.456 -11.891 1.00 0.00 C ATOM 0 H LEU A 88 2.790 0.847 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 88 1.909 2.529 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.310 0.036 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.172 0.932 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.270 -0.191 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.744 1.703 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.394 1.960 -10.951 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.093 2.796 -11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.290 0.314 -12.929 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.259 1.315 -11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.111 -0.436 -11.539 1.00 0.00 H new ATOM 1363 N MET A 89 0.556 3.181 -7.309 1.00 0.00 N ATOM 1364 CA MET A 89 -0.204 4.178 -6.574 1.00 0.00 C ATOM 1365 C MET A 89 0.500 5.536 -6.603 1.00 0.00 C ATOM 1366 O MET A 89 -0.138 6.566 -6.816 1.00 0.00 O ATOM 1367 CB MET A 89 -0.375 3.723 -5.123 1.00 0.00 C ATOM 1368 CG MET A 89 -1.855 3.551 -4.773 1.00 0.00 C ATOM 1369 SD MET A 89 -2.067 2.147 -3.691 1.00 0.00 S ATOM 1370 CE MET A 89 -3.679 2.515 -3.019 1.00 0.00 C ATOM 0 H MET A 89 0.925 2.420 -6.739 1.00 0.00 H new ATOM 0 HA MET A 89 -1.180 4.285 -7.048 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.151 2.781 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.078 4.454 -4.453 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.230 4.453 -4.290 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.439 3.411 -5.683 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.968 1.732 -2.318 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.647 3.473 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.408 2.565 -3.828 1.00 0.00 H new ATOM 1380 N MET A 90 1.807 5.494 -6.387 1.00 0.00 N ATOM 1381 CA MET A 90 2.605 6.708 -6.385 1.00 0.00 C ATOM 1382 C MET A 90 2.448 7.469 -7.704 1.00 0.00 C ATOM 1383 O MET A 90 1.949 8.593 -7.721 1.00 0.00 O ATOM 1384 CB MET A 90 4.077 6.351 -6.174 1.00 0.00 C ATOM 1385 CG MET A 90 4.370 6.087 -4.696 1.00 0.00 C ATOM 1386 SD MET A 90 5.795 5.023 -4.536 1.00 0.00 S ATOM 1387 CE MET A 90 6.143 5.230 -2.798 1.00 0.00 C ATOM 0 H MET A 90 2.333 4.638 -6.212 1.00 0.00 H new ATOM 0 HA MET A 90 2.257 7.348 -5.574 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.329 5.468 -6.762 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.707 7.164 -6.534 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.550 7.029 -4.179 1.00 0.00 H new ATOM 0 HG3 MET A 90 3.505 5.623 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.157 4.889 -2.587 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.051 6.283 -2.531 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.434 4.644 -2.213 1.00 0.00 H new ATOM 1397 N ILE A 91 2.883 6.824 -8.777 1.00 0.00 N ATOM 1398 CA ILE A 91 2.797 7.426 -10.097 1.00 0.00 C ATOM 1399 C ILE A 91 1.375 7.941 -10.326 1.00 0.00 C ATOM 1400 O ILE A 91 1.185 9.072 -10.772 1.00 0.00 O ATOM 1401 CB ILE A 91 3.274 6.441 -11.166 1.00 0.00 C ATOM 1402 CG1 ILE A 91 3.202 7.068 -12.560 1.00 0.00 C ATOM 1403 CG2 ILE A 91 2.496 5.127 -11.088 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.338 8.072 -12.769 1.00 0.00 C ATOM 0 H ILE A 91 3.296 5.891 -8.759 1.00 0.00 H new ATOM 0 HA ILE A 91 3.463 8.286 -10.168 1.00 0.00 H new ATOM 0 HB ILE A 91 4.321 6.207 -10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.259 6.286 -13.318 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.242 7.568 -12.689 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.855 4.445 -11.859 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.642 4.675 -10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.435 5.323 -11.243 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.264 8.503 -13.767 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.264 8.865 -12.025 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.297 7.564 -12.664 1.00 0.00 H new ATOM 1416 N LEU A 92 0.412 7.087 -10.011 1.00 0.00 N ATOM 1417 CA LEU A 92 -0.987 7.442 -10.177 1.00 0.00 C ATOM 1418 C LEU A 92 -1.259 8.771 -9.469 1.00 0.00 C ATOM 1419 O LEU A 92 -2.006 9.606 -9.976 1.00 0.00 O ATOM 1420 CB LEU A 92 -1.889 6.299 -9.707 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.394 6.525 -9.863 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -3.818 6.405 -11.328 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.187 5.581 -8.957 1.00 0.00 C ATOM 0 H LEU A 92 0.573 6.150 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.220 7.589 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.618 5.399 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.678 6.105 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.621 7.543 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.892 6.570 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.290 7.151 -11.922 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.575 5.409 -11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.254 5.762 -9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.960 4.548 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.913 5.759 -7.917 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.638 8.925 -8.309 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.804 10.138 -7.527 1.00 0.00 C ATOM 1437 C ARG A 93 -0.069 11.303 -8.192 1.00 0.00 C ATOM 1438 O ARG A 93 -0.479 12.456 -8.062 1.00 0.00 O ATOM 1439 CB ARG A 93 -0.272 9.953 -6.104 1.00 0.00 C ATOM 1440 CG ARG A 93 -1.262 9.164 -5.246 1.00 0.00 C ATOM 1441 CD ARG A 93 -1.327 9.727 -3.825 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.169 8.634 -2.840 1.00 0.00 N ATOM 1443 CZ ARG A 93 -2.135 7.760 -2.527 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -3.333 7.845 -3.120 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -1.902 6.800 -1.621 1.00 0.00 N ATOM 0 H ARG A 93 -0.019 8.230 -7.892 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.870 10.358 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.684 9.431 -6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.089 10.927 -5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.252 9.200 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.965 8.116 -5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.543 10.471 -3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.279 10.234 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.269 8.540 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.510 8.575 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.068 7.180 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.989 6.735 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.637 6.135 -1.383 1.00 0.00 H new ATOM 1459 N LEU A 94 1.004 10.963 -8.890 1.00 0.00 N ATOM 1460 CA LEU A 94 1.800 11.966 -9.576 1.00 0.00 C ATOM 1461 C LEU A 94 0.871 12.928 -10.320 1.00 0.00 C ATOM 1462 O LEU A 94 1.056 14.142 -10.266 1.00 0.00 O ATOM 1463 CB LEU A 94 2.843 11.300 -10.475 1.00 0.00 C ATOM 1464 CG LEU A 94 4.117 12.107 -10.736 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.344 11.395 -10.162 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.277 12.412 -12.227 1.00 0.00 C ATOM 0 H LEU A 94 1.341 10.006 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 94 2.365 12.560 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.125 10.348 -10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.376 11.075 -11.434 1.00 0.00 H new ATOM 0 HG LEU A 94 4.028 13.063 -10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.236 11.989 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.223 11.272 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.449 10.416 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.190 12.986 -12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.335 11.478 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.420 12.990 -12.574 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.109 12.347 -10.997 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.068 13.137 -11.751 1.00 0.00 C ATOM 1480 C VAL A 95 -2.240 13.511 -10.842 1.00 0.00 C ATOM 1481 O VAL A 95 -2.684 14.659 -10.836 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.503 12.375 -13.005 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -2.733 13.024 -13.641 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -0.354 12.274 -14.010 1.00 0.00 C ATOM 0 H VAL A 95 -0.260 11.339 -11.039 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.613 14.066 -12.093 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.776 11.363 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.021 12.463 -14.530 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.556 13.021 -12.927 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.499 14.051 -13.920 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.689 11.728 -14.892 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.037 13.275 -14.302 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.484 11.747 -13.553 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.709 12.522 -10.096 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.821 12.733 -9.185 1.00 0.00 C ATOM 1496 C LEU A 96 -3.660 14.089 -8.497 1.00 0.00 C ATOM 1497 O LEU A 96 -4.648 14.729 -8.139 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.946 11.559 -8.212 1.00 0.00 C ATOM 1499 CG LEU A 96 -5.370 11.181 -7.796 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.954 10.127 -8.738 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.413 10.731 -6.335 1.00 0.00 C ATOM 0 H LEU A 96 -2.339 11.572 -10.104 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.763 12.764 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.477 10.686 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.377 11.796 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.997 12.069 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.966 9.876 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.980 10.521 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.333 9.232 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.436 10.468 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.768 9.862 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.066 11.541 -5.694 1.00 0.00 H new ATOM 1513 N LEU A 97 -2.408 14.488 -8.331 1.00 0.00 N ATOM 1514 CA LEU A 97 -2.105 15.757 -7.691 1.00 0.00 C ATOM 1515 C LEU A 97 -3.104 16.814 -8.166 1.00 0.00 C ATOM 1516 O LEU A 97 -3.497 17.691 -7.398 1.00 0.00 O ATOM 1517 CB LEU A 97 -0.643 16.141 -7.929 1.00 0.00 C ATOM 1518 CG LEU A 97 0.100 16.727 -6.727 1.00 0.00 C ATOM 1519 CD1 LEU A 97 1.425 15.999 -6.493 1.00 0.00 C ATOM 1520 CD2 LEU A 97 0.296 18.236 -6.885 1.00 0.00 C ATOM 0 H LEU A 97 -1.591 13.955 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.217 15.675 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.106 15.255 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.606 16.866 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.513 16.573 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.933 16.435 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.231 14.943 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.056 16.099 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.827 18.627 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.877 18.435 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.676 18.723 -6.966 1.00 0.00 H new ATOM 1532 N LEU A 98 -3.486 16.696 -9.429 1.00 0.00 N ATOM 1533 CA LEU A 98 -4.431 17.630 -10.016 1.00 0.00 C ATOM 1534 C LEU A 98 -5.747 17.573 -9.238 1.00 0.00 C ATOM 1535 O LEU A 98 -6.242 18.599 -8.772 1.00 0.00 O ATOM 1536 CB LEU A 98 -4.590 17.363 -11.514 1.00 0.00 C ATOM 1537 CG LEU A 98 -4.825 18.592 -12.394 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -3.533 19.024 -13.089 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -5.958 18.343 -13.391 1.00 0.00 C ATOM 0 H LEU A 98 -3.158 15.967 -10.062 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.057 18.651 -9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.694 16.853 -11.869 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.425 16.676 -11.654 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.136 19.417 -11.753 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.728 19.900 -13.708 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.781 19.270 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.167 18.211 -13.716 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.105 19.232 -14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.701 17.499 -14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.877 18.120 -12.849 1.00 0.00 H new ATOM 1551 N LEU A 99 -6.277 16.364 -9.121 1.00 0.00 N ATOM 1552 CA LEU A 99 -7.526 16.160 -8.407 1.00 0.00 C ATOM 1553 C LEU A 99 -7.472 16.903 -7.071 1.00 0.00 C ATOM 1554 O LEU A 99 -7.404 16.280 -6.012 1.00 0.00 O ATOM 1555 CB LEU A 99 -7.825 14.666 -8.268 1.00 0.00 C ATOM 1556 CG LEU A 99 -8.722 14.059 -9.349 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.926 13.122 -10.260 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -9.934 13.361 -8.727 1.00 0.00 C ATOM 0 H LEU A 99 -5.864 15.516 -9.509 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.360 16.578 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.879 14.125 -8.263 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.293 14.498 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.101 14.869 -9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.587 12.704 -11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.124 13.680 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.499 12.314 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.555 12.938 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.595 12.564 -8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.516 14.084 -8.155 1.00 0.00 H new