USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 180:sc=-0.00372 USER MOD Set 1.2: A 67 SER OG : rot -61:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.92! C(o=-1.9!,f=-3.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -120:sc= -0.904 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -88:sc= 0.668 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= 0.094 (180deg=-0.222) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= 0.522 F(o=-0.59,f=0.52) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -156:sc= -6.64! (180deg=-8.09!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.620 3.502 -9.321 1.00 0.00 N ATOM 150 CA CYS A 11 -9.067 2.425 -10.187 1.00 0.00 C ATOM 151 C CYS A 11 -10.370 2.860 -10.862 1.00 0.00 C ATOM 152 O CYS A 11 -10.620 4.053 -11.024 1.00 0.00 O ATOM 153 CB CYS A 11 -9.234 1.113 -9.417 1.00 0.00 C ATOM 154 SG CYS A 11 -10.714 1.036 -8.343 1.00 0.00 S ATOM 0 HA CYS A 11 -8.312 2.230 -10.949 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.278 0.292 -10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.348 0.953 -8.803 1.00 0.00 H new ATOM 159 N VAL A 12 -11.164 1.868 -11.237 1.00 0.00 N ATOM 160 CA VAL A 12 -12.435 2.134 -11.891 1.00 0.00 C ATOM 161 C VAL A 12 -13.578 1.721 -10.962 1.00 0.00 C ATOM 162 O VAL A 12 -14.230 2.571 -10.358 1.00 0.00 O ATOM 163 CB VAL A 12 -12.482 1.428 -13.247 1.00 0.00 C ATOM 164 CG1 VAL A 12 -12.486 2.443 -14.393 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.323 0.441 -13.393 1.00 0.00 C ATOM 0 H VAL A 12 -10.953 0.879 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.547 3.200 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.412 0.861 -13.297 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.520 1.915 -15.346 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.360 3.088 -14.304 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.581 3.049 -14.346 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.381 -0.047 -14.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.377 0.976 -13.311 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.384 -0.311 -12.606 1.00 0.00 H new ATOM 175 N SER A 13 -13.786 0.415 -10.876 1.00 0.00 N ATOM 176 CA SER A 13 -14.839 -0.121 -10.031 1.00 0.00 C ATOM 177 C SER A 13 -14.228 -0.837 -8.824 1.00 0.00 C ATOM 178 O SER A 13 -13.054 -0.645 -8.513 1.00 0.00 O ATOM 179 CB SER A 13 -15.741 -1.077 -10.814 1.00 0.00 C ATOM 180 OG SER A 13 -17.100 -0.648 -10.815 1.00 0.00 O ATOM 0 H SER A 13 -13.243 -0.287 -11.378 1.00 0.00 H new ATOM 0 HA SER A 13 -15.452 0.709 -9.681 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.384 -1.153 -11.841 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.676 -2.075 -10.379 1.00 0.00 H new ATOM 0 HG SER A 13 -17.643 -1.283 -11.326 1.00 0.00 H new ATOM 186 N LEU A 14 -15.053 -1.647 -8.177 1.00 0.00 N ATOM 187 CA LEU A 14 -14.609 -2.393 -7.012 1.00 0.00 C ATOM 188 C LEU A 14 -14.566 -3.884 -7.352 1.00 0.00 C ATOM 189 O LEU A 14 -15.591 -4.563 -7.310 1.00 0.00 O ATOM 190 CB LEU A 14 -15.482 -2.063 -5.800 1.00 0.00 C ATOM 191 CG LEU A 14 -14.961 -0.958 -4.879 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.966 -0.652 -3.767 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.581 -1.314 -4.322 1.00 0.00 C ATOM 0 H LEU A 14 -16.027 -1.803 -8.438 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.596 -2.100 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.471 -1.775 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.608 -2.971 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.846 -0.048 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.571 0.137 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.908 -0.324 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.136 -1.550 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.234 -0.512 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.647 -2.241 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.878 -1.443 -5.145 1.00 0.00 H new ATOM 205 N THR A 15 -13.370 -4.349 -7.680 1.00 0.00 N ATOM 206 CA THR A 15 -13.180 -5.748 -8.026 1.00 0.00 C ATOM 207 C THR A 15 -13.732 -6.030 -9.425 1.00 0.00 C ATOM 208 O THR A 15 -13.527 -5.243 -10.348 1.00 0.00 O ATOM 209 CB THR A 15 -13.831 -6.598 -6.933 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.589 -5.867 -5.734 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.103 -7.926 -6.713 1.00 0.00 C ATOM 0 H THR A 15 -12.523 -3.782 -7.714 1.00 0.00 H new ATOM 0 HA THR A 15 -12.122 -6.005 -8.070 1.00 0.00 H new ATOM 0 HB THR A 15 -14.871 -6.793 -7.196 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.980 -6.347 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.605 -8.491 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.112 -8.503 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.072 -7.731 -6.417 1.00 0.00 H new ATOM 219 N THR A 16 -14.422 -7.156 -9.538 1.00 0.00 N ATOM 220 CA THR A 16 -15.005 -7.552 -10.809 1.00 0.00 C ATOM 221 C THR A 16 -13.959 -8.248 -11.681 1.00 0.00 C ATOM 222 O THR A 16 -14.285 -8.782 -12.741 1.00 0.00 O ATOM 223 CB THR A 16 -15.608 -6.306 -11.461 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.773 -6.791 -12.123 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.737 -5.757 -12.593 1.00 0.00 C ATOM 0 H THR A 16 -14.590 -7.806 -8.770 1.00 0.00 H new ATOM 0 HA THR A 16 -15.803 -8.281 -10.668 1.00 0.00 H new ATOM 0 HB THR A 16 -15.750 -5.533 -10.705 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.227 -6.048 -12.572 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.211 -4.874 -13.021 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.756 -5.488 -12.200 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.622 -6.517 -13.366 1.00 0.00 H new ATOM 233 N GLN A 17 -12.723 -8.221 -11.204 1.00 0.00 N ATOM 234 CA GLN A 17 -11.627 -8.843 -11.927 1.00 0.00 C ATOM 235 C GLN A 17 -10.666 -9.523 -10.951 1.00 0.00 C ATOM 236 O GLN A 17 -9.704 -8.910 -10.492 1.00 0.00 O ATOM 237 CB GLN A 17 -10.893 -7.820 -12.796 1.00 0.00 C ATOM 238 CG GLN A 17 -10.421 -6.628 -11.960 1.00 0.00 C ATOM 239 CD GLN A 17 -10.418 -5.343 -12.790 1.00 0.00 C ATOM 240 OE1 GLN A 17 -11.450 -4.825 -13.184 1.00 0.00 O ATOM 241 NE2 GLN A 17 -9.203 -4.859 -13.033 1.00 0.00 N ATOM 0 H GLN A 17 -12.456 -7.778 -10.325 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.040 -9.604 -12.589 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.037 -8.293 -13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.553 -7.473 -13.591 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.073 -6.505 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.418 -6.821 -11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.380 -5.343 -12.673 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.094 -4.004 -13.579 1.00 0.00 H new ATOM 250 N ARG A 18 -10.959 -10.783 -10.663 1.00 0.00 N ATOM 251 CA ARG A 18 -10.133 -11.554 -9.750 1.00 0.00 C ATOM 252 C ARG A 18 -8.780 -11.867 -10.393 1.00 0.00 C ATOM 253 O ARG A 18 -8.610 -12.918 -11.009 1.00 0.00 O ATOM 254 CB ARG A 18 -10.819 -12.864 -9.358 1.00 0.00 C ATOM 255 CG ARG A 18 -10.726 -13.102 -7.849 1.00 0.00 C ATOM 256 CD ARG A 18 -10.158 -14.490 -7.547 1.00 0.00 C ATOM 257 NE ARG A 18 -10.928 -15.124 -6.453 1.00 0.00 N ATOM 258 CZ ARG A 18 -12.128 -15.697 -6.613 1.00 0.00 C ATOM 259 NH1 ARG A 18 -12.705 -15.719 -7.823 1.00 0.00 N ATOM 260 NH2 ARG A 18 -12.753 -16.248 -5.564 1.00 0.00 N ATOM 0 H ARG A 18 -11.757 -11.289 -11.046 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.982 -10.954 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.866 -12.836 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.355 -13.695 -9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.093 -12.339 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.714 -13.004 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.201 -15.112 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.108 -14.409 -7.265 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.519 -15.124 -5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.230 -15.299 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.619 -16.156 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.315 -16.231 -4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.667 -16.684 -5.686 1.00 0.00 H new ATOM 274 N LEU A 19 -7.853 -10.935 -10.229 1.00 0.00 N ATOM 275 CA LEU A 19 -6.521 -11.098 -10.787 1.00 0.00 C ATOM 276 C LEU A 19 -5.692 -11.993 -9.862 1.00 0.00 C ATOM 277 O LEU A 19 -5.816 -11.913 -8.641 1.00 0.00 O ATOM 278 CB LEU A 19 -5.883 -9.735 -11.058 1.00 0.00 C ATOM 279 CG LEU A 19 -6.232 -9.085 -12.398 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.631 -8.467 -12.360 1.00 0.00 C ATOM 281 CD2 LEU A 19 -5.167 -8.067 -12.808 1.00 0.00 C ATOM 0 H LEU A 19 -7.998 -10.064 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.571 -11.598 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.176 -9.054 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.800 -9.845 -11.002 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.244 -9.863 -13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.854 -8.012 -13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.366 -9.243 -12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.671 -7.705 -11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.440 -7.620 -13.764 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.098 -7.287 -12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.203 -8.567 -12.903 1.00 0.00 H new ATOM 293 N PRO A 20 -4.843 -12.845 -10.497 1.00 0.00 N ATOM 294 CA PRO A 20 -3.994 -13.753 -9.745 1.00 0.00 C ATOM 295 C PRO A 20 -2.822 -13.005 -9.106 1.00 0.00 C ATOM 296 O PRO A 20 -2.220 -12.135 -9.734 1.00 0.00 O ATOM 297 CB PRO A 20 -3.552 -14.803 -10.751 1.00 0.00 C ATOM 298 CG PRO A 20 -3.787 -14.190 -12.122 1.00 0.00 C ATOM 299 CD PRO A 20 -4.670 -12.966 -11.941 1.00 0.00 C ATOM 0 HA PRO A 20 -4.513 -14.218 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.502 -15.059 -10.612 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.123 -15.724 -10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.839 -13.912 -12.583 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.265 -14.911 -12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.203 -12.075 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.628 -13.091 -12.446 1.00 0.00 H new ATOM 307 N VAL A 21 -2.532 -13.372 -7.866 1.00 0.00 N ATOM 308 CA VAL A 21 -1.443 -12.747 -7.136 1.00 0.00 C ATOM 309 C VAL A 21 -0.171 -12.796 -7.985 1.00 0.00 C ATOM 310 O VAL A 21 0.672 -11.904 -7.899 1.00 0.00 O ATOM 311 CB VAL A 21 -1.276 -13.417 -5.771 1.00 0.00 C ATOM 312 CG1 VAL A 21 0.025 -12.973 -5.098 1.00 0.00 C ATOM 313 CG2 VAL A 21 -2.482 -13.138 -4.872 1.00 0.00 C ATOM 0 H VAL A 21 -3.033 -14.095 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.665 -11.697 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.220 -14.494 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.119 -13.464 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.872 -13.246 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.011 -11.892 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.338 -13.626 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.584 -12.063 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.385 -13.526 -5.343 1.00 0.00 H new ATOM 323 N SER A 22 -0.073 -13.846 -8.787 1.00 0.00 N ATOM 324 CA SER A 22 1.082 -14.022 -9.651 1.00 0.00 C ATOM 325 C SER A 22 1.169 -12.867 -10.650 1.00 0.00 C ATOM 326 O SER A 22 2.254 -12.532 -11.124 1.00 0.00 O ATOM 327 CB SER A 22 1.016 -15.360 -10.392 1.00 0.00 C ATOM 328 OG SER A 22 2.230 -15.649 -11.080 1.00 0.00 O ATOM 0 H SER A 22 -0.774 -14.583 -8.857 1.00 0.00 H new ATOM 0 HA SER A 22 1.977 -14.025 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.803 -16.158 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.191 -15.340 -11.104 1.00 0.00 H new ATOM 0 HG SER A 22 2.149 -16.511 -11.539 1.00 0.00 H new ATOM 334 N ARG A 23 0.013 -12.289 -10.941 1.00 0.00 N ATOM 335 CA ARG A 23 -0.055 -11.178 -11.874 1.00 0.00 C ATOM 336 C ARG A 23 -0.021 -9.847 -11.120 1.00 0.00 C ATOM 337 O ARG A 23 -0.002 -8.782 -11.734 1.00 0.00 O ATOM 338 CB ARG A 23 -1.329 -11.245 -12.719 1.00 0.00 C ATOM 339 CG ARG A 23 -1.005 -11.127 -14.210 1.00 0.00 C ATOM 340 CD ARG A 23 -0.222 -12.348 -14.699 1.00 0.00 C ATOM 341 NE ARG A 23 -0.373 -12.492 -16.164 1.00 0.00 N ATOM 342 CZ ARG A 23 -1.507 -12.868 -16.769 1.00 0.00 C ATOM 343 NH1 ARG A 23 -2.598 -13.141 -16.039 1.00 0.00 N ATOM 344 NH2 ARG A 23 -1.552 -12.972 -18.105 1.00 0.00 N ATOM 0 H ARG A 23 -0.885 -12.570 -10.546 1.00 0.00 H new ATOM 0 HA ARG A 23 0.810 -11.247 -12.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.847 -12.185 -12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.007 -10.443 -12.426 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.929 -11.031 -14.780 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.424 -10.222 -14.389 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.832 -12.241 -14.442 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.583 -13.246 -14.198 1.00 0.00 H new ATOM 0 HE ARG A 23 0.438 -12.292 -16.750 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.564 -13.062 -15.023 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.462 -13.427 -16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.722 -12.765 -18.661 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.416 -13.258 -18.565 1.00 0.00 H new ATOM 358 N ILE A 24 -0.015 -9.953 -9.799 1.00 0.00 N ATOM 359 CA ILE A 24 0.016 -8.771 -8.954 1.00 0.00 C ATOM 360 C ILE A 24 1.405 -8.636 -8.325 1.00 0.00 C ATOM 361 O ILE A 24 2.074 -9.635 -8.068 1.00 0.00 O ATOM 362 CB ILE A 24 -1.121 -8.813 -7.931 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.453 -9.147 -8.606 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.192 -7.508 -7.136 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.359 -9.945 -7.666 1.00 0.00 C ATOM 0 H ILE A 24 -0.031 -10.839 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.155 -7.873 -9.548 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.911 -9.612 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.954 -8.226 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.271 -9.720 -9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.009 -7.564 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.252 -7.353 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.366 -6.676 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.299 -10.169 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.865 -10.876 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.559 -9.359 -6.769 1.00 0.00 H new ATOM 377 N LYS A 25 1.796 -7.391 -8.095 1.00 0.00 N ATOM 378 CA LYS A 25 3.092 -7.112 -7.501 1.00 0.00 C ATOM 379 C LYS A 25 2.902 -6.717 -6.035 1.00 0.00 C ATOM 380 O LYS A 25 3.139 -7.522 -5.136 1.00 0.00 O ATOM 381 CB LYS A 25 3.846 -6.067 -8.326 1.00 0.00 C ATOM 382 CG LYS A 25 5.356 -6.174 -8.099 1.00 0.00 C ATOM 383 CD LYS A 25 5.767 -5.463 -6.807 1.00 0.00 C ATOM 384 CE LYS A 25 6.715 -4.299 -7.100 1.00 0.00 C ATOM 385 NZ LYS A 25 6.604 -3.263 -6.049 1.00 0.00 N ATOM 0 H LYS A 25 1.238 -6.564 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 25 3.716 -8.005 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.623 -6.204 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.504 -5.068 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.647 -7.223 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.887 -5.736 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.880 -5.094 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.252 -6.172 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.741 -4.663 -7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.479 -3.866 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.254 -2.480 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.628 -2.904 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.851 -3.676 -5.127 1.00 0.00 H new ATOM 399 N THR A 26 2.477 -5.477 -5.840 1.00 0.00 N ATOM 400 CA THR A 26 2.253 -4.966 -4.498 1.00 0.00 C ATOM 401 C THR A 26 0.792 -4.543 -4.326 1.00 0.00 C ATOM 402 O THR A 26 0.037 -4.499 -5.296 1.00 0.00 O ATOM 403 CB THR A 26 3.247 -3.829 -4.253 1.00 0.00 C ATOM 404 OG1 THR A 26 3.313 -3.726 -2.834 1.00 0.00 O ATOM 405 CG2 THR A 26 2.705 -2.470 -4.701 1.00 0.00 C ATOM 0 H THR A 26 2.282 -4.812 -6.588 1.00 0.00 H new ATOM 0 HA THR A 26 2.427 -5.737 -3.747 1.00 0.00 H new ATOM 0 HB THR A 26 4.177 -4.040 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.938 -3.012 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.450 -1.699 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.486 -2.500 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.793 -2.242 -4.150 1.00 0.00 H new ATOM 413 N TYR A 27 0.439 -4.243 -3.085 1.00 0.00 N ATOM 414 CA TYR A 27 -0.917 -3.826 -2.773 1.00 0.00 C ATOM 415 C TYR A 27 -0.920 -2.698 -1.740 1.00 0.00 C ATOM 416 O TYR A 27 0.027 -2.557 -0.967 1.00 0.00 O ATOM 417 CB TYR A 27 -1.609 -5.052 -2.174 1.00 0.00 C ATOM 418 CG TYR A 27 -1.009 -5.518 -0.847 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.266 -6.047 -0.814 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.741 -5.410 0.318 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.831 -6.486 0.436 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.176 -5.849 1.568 1.00 0.00 C ATOM 423 CZ TYR A 27 0.082 -6.365 1.565 1.00 0.00 C ATOM 424 OH TYR A 27 0.616 -6.780 2.745 1.00 0.00 O ATOM 0 H TYR A 27 1.069 -4.280 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.420 -3.458 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.664 -4.824 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.559 -5.871 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.839 -6.132 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.738 -4.996 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.827 -6.902 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.739 -5.770 2.487 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.031 -6.632 3.467 1.00 0.00 H new ATOM 434 N THR A 28 -1.995 -1.923 -1.759 1.00 0.00 N ATOM 435 CA THR A 28 -2.133 -0.812 -0.833 1.00 0.00 C ATOM 436 C THR A 28 -3.566 -0.736 -0.301 1.00 0.00 C ATOM 437 O THR A 28 -4.515 -0.629 -1.077 1.00 0.00 O ATOM 438 CB THR A 28 -1.683 0.461 -1.552 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.401 0.739 -0.996 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.527 1.679 -1.169 1.00 0.00 C ATOM 0 H THR A 28 -2.778 -2.043 -2.401 1.00 0.00 H new ATOM 0 HA THR A 28 -1.501 -0.947 0.045 1.00 0.00 H new ATOM 0 HB THR A 28 -1.736 0.307 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.035 1.549 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.166 2.556 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.569 1.496 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.448 1.854 -0.096 1.00 0.00 H new ATOM 448 N ILE A 29 -3.677 -0.794 1.018 1.00 0.00 N ATOM 449 CA ILE A 29 -4.978 -0.733 1.662 1.00 0.00 C ATOM 450 C ILE A 29 -5.084 0.565 2.466 1.00 0.00 C ATOM 451 O ILE A 29 -4.197 0.884 3.255 1.00 0.00 O ATOM 452 CB ILE A 29 -5.223 -1.993 2.494 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.138 -3.249 1.625 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.554 -1.905 3.244 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.469 -4.502 2.438 1.00 0.00 C ATOM 0 H ILE A 29 -2.888 -0.883 1.658 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.772 -0.712 0.916 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.435 -2.065 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.829 -3.163 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.136 -3.338 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.704 -2.813 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.539 -1.043 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.369 -1.796 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.401 -5.380 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.762 -4.599 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.480 -4.421 2.836 1.00 0.00 H new ATOM 467 N THR A 30 -6.177 1.278 2.237 1.00 0.00 N ATOM 468 CA THR A 30 -6.411 2.533 2.929 1.00 0.00 C ATOM 469 C THR A 30 -7.413 2.336 4.068 1.00 0.00 C ATOM 470 O THR A 30 -8.103 1.319 4.124 1.00 0.00 O ATOM 471 CB THR A 30 -6.861 3.567 1.895 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.004 2.973 1.286 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.863 3.719 0.746 1.00 0.00 C ATOM 0 H THR A 30 -6.911 1.010 1.581 1.00 0.00 H new ATOM 0 HA THR A 30 -5.499 2.900 3.401 1.00 0.00 H new ATOM 0 HB THR A 30 -7.001 4.531 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.844 2.865 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.231 4.465 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.899 4.038 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.747 2.763 0.236 1.00 0.00 H new ATOM 481 N GLU A 31 -7.463 3.325 4.948 1.00 0.00 N ATOM 482 CA GLU A 31 -8.370 3.273 6.082 1.00 0.00 C ATOM 483 C GLU A 31 -9.367 4.432 6.019 1.00 0.00 C ATOM 484 O GLU A 31 -10.425 4.379 6.643 1.00 0.00 O ATOM 485 CB GLU A 31 -7.597 3.286 7.403 1.00 0.00 C ATOM 486 CG GLU A 31 -7.768 1.962 8.151 1.00 0.00 C ATOM 487 CD GLU A 31 -6.603 1.013 7.860 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.464 1.521 7.785 1.00 0.00 O ATOM 489 OE2 GLU A 31 -6.880 -0.197 7.719 1.00 0.00 O ATOM 0 H GLU A 31 -6.890 4.167 4.899 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.927 2.338 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.539 3.464 7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.949 4.108 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.829 2.151 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.707 1.492 7.856 1.00 0.00 H new ATOM 496 N GLY A 32 -8.993 5.451 5.259 1.00 0.00 N ATOM 497 CA GLY A 32 -9.841 6.620 5.106 1.00 0.00 C ATOM 498 C GLY A 32 -11.117 6.275 4.335 1.00 0.00 C ATOM 499 O GLY A 32 -11.388 5.106 4.068 1.00 0.00 O ATOM 0 H GLY A 32 -8.114 5.491 4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.101 7.016 6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.295 7.403 4.581 1.00 0.00 H new ATOM 503 N SER A 33 -11.867 7.315 4.000 1.00 0.00 N ATOM 504 CA SER A 33 -13.108 7.136 3.266 1.00 0.00 C ATOM 505 C SER A 33 -12.916 6.098 2.158 1.00 0.00 C ATOM 506 O SER A 33 -13.867 5.425 1.762 1.00 0.00 O ATOM 507 CB SER A 33 -13.593 8.461 2.673 1.00 0.00 C ATOM 508 OG SER A 33 -14.533 9.113 3.522 1.00 0.00 O ATOM 0 H SER A 33 -11.639 8.284 4.223 1.00 0.00 H new ATOM 0 HA SER A 33 -13.868 6.780 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.739 9.118 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.049 8.277 1.700 1.00 0.00 H new ATOM 0 HG SER A 33 -14.817 9.955 3.109 1.00 0.00 H new ATOM 514 N LEU A 34 -11.681 6.000 1.690 1.00 0.00 N ATOM 515 CA LEU A 34 -11.352 5.055 0.636 1.00 0.00 C ATOM 516 C LEU A 34 -11.585 3.631 1.144 1.00 0.00 C ATOM 517 O LEU A 34 -12.374 2.884 0.568 1.00 0.00 O ATOM 518 CB LEU A 34 -9.933 5.300 0.121 1.00 0.00 C ATOM 519 CG LEU A 34 -9.811 5.669 -1.360 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.365 6.011 -1.722 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.378 4.560 -2.249 1.00 0.00 C ATOM 0 H LEU A 34 -10.895 6.560 2.021 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.007 5.199 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.486 6.099 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.342 4.402 0.301 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.408 6.563 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.306 6.269 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.030 6.857 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.727 5.150 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.279 4.847 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.828 3.635 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.431 4.407 -2.013 1.00 0.00 H new ATOM 533 N ARG A 35 -10.883 3.297 2.217 1.00 0.00 N ATOM 534 CA ARG A 35 -11.003 1.976 2.809 1.00 0.00 C ATOM 535 C ARG A 35 -11.164 0.917 1.716 1.00 0.00 C ATOM 536 O ARG A 35 -12.090 0.109 1.761 1.00 0.00 O ATOM 537 CB ARG A 35 -12.199 1.904 3.759 1.00 0.00 C ATOM 538 CG ARG A 35 -12.028 0.770 4.772 1.00 0.00 C ATOM 539 CD ARG A 35 -12.753 1.091 6.081 1.00 0.00 C ATOM 540 NE ARG A 35 -14.013 0.319 6.164 1.00 0.00 N ATOM 541 CZ ARG A 35 -14.070 -1.010 6.330 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.940 -1.722 6.431 1.00 0.00 N ATOM 543 NH2 ARG A 35 -15.259 -1.626 6.395 1.00 0.00 N ATOM 0 H ARG A 35 -10.229 3.919 2.692 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.092 1.783 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.308 2.853 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.114 1.750 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.418 -0.158 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.968 0.610 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.113 0.850 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.967 2.158 6.136 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.893 0.830 6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.036 -1.253 6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.984 -2.733 6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.119 -1.083 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.303 -2.637 6.521 1.00 0.00 H new ATOM 557 N ALA A 36 -10.249 0.957 0.758 1.00 0.00 N ATOM 558 CA ALA A 36 -10.279 0.012 -0.345 1.00 0.00 C ATOM 559 C ALA A 36 -8.894 -0.617 -0.510 1.00 0.00 C ATOM 560 O ALA A 36 -7.891 -0.033 -0.103 1.00 0.00 O ATOM 561 CB ALA A 36 -10.752 0.723 -1.614 1.00 0.00 C ATOM 0 H ALA A 36 -9.483 1.629 0.723 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.984 -0.794 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.774 0.014 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.752 1.126 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.067 1.537 -1.852 1.00 0.00 H new ATOM 567 N VAL A 37 -8.883 -1.799 -1.107 1.00 0.00 N ATOM 568 CA VAL A 37 -7.637 -2.513 -1.331 1.00 0.00 C ATOM 569 C VAL A 37 -7.148 -2.242 -2.755 1.00 0.00 C ATOM 570 O VAL A 37 -7.836 -2.561 -3.723 1.00 0.00 O ATOM 571 CB VAL A 37 -7.828 -4.003 -1.038 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.697 -4.210 0.204 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.419 -4.729 -2.248 1.00 0.00 C ATOM 0 H VAL A 37 -9.717 -2.281 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.865 -2.157 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.847 -4.433 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.817 -5.277 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.218 -3.743 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.675 -3.757 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.544 -5.786 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.388 -4.295 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.747 -4.624 -3.099 1.00 0.00 H new ATOM 583 N ILE A 38 -5.962 -1.656 -2.837 1.00 0.00 N ATOM 584 CA ILE A 38 -5.372 -1.338 -4.126 1.00 0.00 C ATOM 585 C ILE A 38 -4.340 -2.408 -4.487 1.00 0.00 C ATOM 586 O ILE A 38 -3.412 -2.664 -3.721 1.00 0.00 O ATOM 587 CB ILE A 38 -4.808 0.084 -4.121 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.911 1.110 -3.852 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.055 0.379 -5.420 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.849 1.235 -5.053 1.00 0.00 C ATOM 0 H ILE A 38 -5.394 -1.393 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.132 -1.351 -4.907 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.088 0.164 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.480 0.814 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.465 2.080 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.664 1.396 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.229 -0.324 -5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.734 0.275 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.623 1.971 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.281 1.554 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.312 0.269 -5.255 1.00 0.00 H new ATOM 602 N PHE A 39 -4.536 -3.004 -5.655 1.00 0.00 N ATOM 603 CA PHE A 39 -3.633 -4.040 -6.127 1.00 0.00 C ATOM 604 C PHE A 39 -2.835 -3.561 -7.341 1.00 0.00 C ATOM 605 O PHE A 39 -3.410 -3.251 -8.383 1.00 0.00 O ATOM 606 CB PHE A 39 -4.498 -5.233 -6.539 1.00 0.00 C ATOM 607 CG PHE A 39 -5.153 -5.962 -5.364 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.421 -6.266 -4.259 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.468 -6.305 -5.424 1.00 0.00 C ATOM 610 CE1 PHE A 39 -5.030 -6.943 -3.168 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.076 -6.981 -4.334 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.344 -7.286 -3.229 1.00 0.00 C ATOM 0 H PHE A 39 -5.307 -2.789 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.925 -4.302 -5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.277 -4.887 -7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.882 -5.940 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.377 -5.993 -4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.050 -6.063 -6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.449 -7.185 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.120 -7.253 -4.382 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.807 -7.801 -2.400 1.00 0.00 H new ATOM 622 N ILE A 40 -1.522 -3.515 -7.165 1.00 0.00 N ATOM 623 CA ILE A 40 -0.639 -3.078 -8.233 1.00 0.00 C ATOM 624 C ILE A 40 -0.010 -4.303 -8.901 1.00 0.00 C ATOM 625 O ILE A 40 0.476 -5.204 -8.220 1.00 0.00 O ATOM 626 CB ILE A 40 0.384 -2.071 -7.705 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.270 -1.078 -6.743 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.104 -1.366 -8.856 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.750 -0.061 -6.226 1.00 0.00 C ATOM 0 H ILE A 40 -1.049 -3.773 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.203 -2.549 -9.002 1.00 0.00 H new ATOM 0 HB ILE A 40 1.139 -2.616 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.083 -0.558 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.710 -1.616 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.826 -0.655 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.624 -2.104 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.376 -0.835 -9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.258 0.633 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.549 -0.583 -5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.170 0.492 -7.066 1.00 0.00 H new ATOM 641 N THR A 41 -0.038 -4.295 -10.225 1.00 0.00 N ATOM 642 CA THR A 41 0.524 -5.393 -10.992 1.00 0.00 C ATOM 643 C THR A 41 1.923 -5.032 -11.495 1.00 0.00 C ATOM 644 O THR A 41 2.316 -3.867 -11.466 1.00 0.00 O ATOM 645 CB THR A 41 -0.456 -5.735 -12.117 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.921 -4.466 -12.569 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.717 -6.433 -11.603 1.00 0.00 C ATOM 0 H THR A 41 -0.441 -3.545 -10.787 1.00 0.00 H new ATOM 0 HA THR A 41 0.654 -6.281 -10.373 1.00 0.00 H new ATOM 0 HB THR A 41 0.039 -6.373 -12.849 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.701 -4.196 -12.041 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.378 -6.653 -12.441 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.441 -7.362 -11.105 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.231 -5.781 -10.897 1.00 0.00 H new ATOM 655 N LYS A 42 2.638 -6.054 -11.943 1.00 0.00 N ATOM 656 CA LYS A 42 3.986 -5.859 -12.451 1.00 0.00 C ATOM 657 C LYS A 42 3.926 -5.034 -13.738 1.00 0.00 C ATOM 658 O LYS A 42 4.956 -4.584 -14.239 1.00 0.00 O ATOM 659 CB LYS A 42 4.697 -7.203 -12.614 1.00 0.00 C ATOM 660 CG LYS A 42 3.891 -8.144 -13.513 1.00 0.00 C ATOM 661 CD LYS A 42 3.873 -9.564 -12.944 1.00 0.00 C ATOM 662 CE LYS A 42 3.299 -9.580 -11.526 1.00 0.00 C ATOM 663 NZ LYS A 42 4.217 -10.281 -10.602 1.00 0.00 N ATOM 0 H LYS A 42 2.309 -7.019 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 42 4.585 -5.294 -11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.687 -7.045 -13.041 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.841 -7.663 -11.636 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.870 -7.774 -13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.323 -8.155 -14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.277 -10.210 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.885 -9.969 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.137 -8.559 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.327 -10.074 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.073 -9.927 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.024 -11.303 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.201 -10.107 -10.891 1.00 0.00 H new ATOM 677 N ARG A 43 2.711 -4.861 -14.237 1.00 0.00 N ATOM 678 CA ARG A 43 2.504 -4.098 -15.456 1.00 0.00 C ATOM 679 C ARG A 43 2.343 -2.612 -15.132 1.00 0.00 C ATOM 680 O ARG A 43 2.477 -1.763 -16.012 1.00 0.00 O ATOM 681 CB ARG A 43 1.264 -4.587 -16.208 1.00 0.00 C ATOM 682 CG ARG A 43 1.608 -4.958 -17.651 1.00 0.00 C ATOM 683 CD ARG A 43 0.736 -4.182 -18.640 1.00 0.00 C ATOM 684 NE ARG A 43 1.103 -2.748 -18.621 1.00 0.00 N ATOM 685 CZ ARG A 43 0.656 -1.847 -19.506 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.176 -2.225 -20.486 1.00 0.00 N ATOM 687 NH2 ARG A 43 1.042 -0.567 -19.411 1.00 0.00 N ATOM 0 H ARG A 43 1.860 -5.236 -13.819 1.00 0.00 H new ATOM 0 HA ARG A 43 3.379 -4.242 -16.089 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.842 -5.453 -15.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.500 -3.809 -16.201 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.660 -4.746 -17.844 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.467 -6.029 -17.798 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.864 -4.585 -19.645 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.316 -4.300 -18.381 1.00 0.00 H new ATOM 0 HE ARG A 43 1.736 -2.426 -17.889 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.469 -3.199 -20.558 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.516 -1.539 -21.159 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.676 -0.279 -18.665 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.702 0.120 -20.084 1.00 0.00 H new ATOM 701 N GLY A 44 2.058 -2.343 -13.866 1.00 0.00 N ATOM 702 CA GLY A 44 1.878 -0.973 -13.415 1.00 0.00 C ATOM 703 C GLY A 44 0.393 -0.633 -13.277 1.00 0.00 C ATOM 704 O GLY A 44 0.041 0.465 -12.848 1.00 0.00 O ATOM 0 H GLY A 44 1.947 -3.050 -13.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.378 -0.833 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.347 -0.289 -14.122 1.00 0.00 H new ATOM 708 N LEU A 45 -0.439 -1.595 -13.648 1.00 0.00 N ATOM 709 CA LEU A 45 -1.878 -1.411 -13.571 1.00 0.00 C ATOM 710 C LEU A 45 -2.340 -1.634 -12.129 1.00 0.00 C ATOM 711 O LEU A 45 -2.197 -2.730 -11.590 1.00 0.00 O ATOM 712 CB LEU A 45 -2.588 -2.306 -14.589 1.00 0.00 C ATOM 713 CG LEU A 45 -3.342 -1.583 -15.707 1.00 0.00 C ATOM 714 CD1 LEU A 45 -3.304 -2.391 -17.005 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.773 -1.251 -15.279 1.00 0.00 C ATOM 0 H LEU A 45 -0.144 -2.505 -14.003 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.146 -0.389 -13.838 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.847 -2.964 -15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.293 -2.942 -14.054 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.838 -0.637 -15.902 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.847 -1.855 -17.783 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.269 -2.532 -17.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.769 -3.363 -16.842 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.286 -0.738 -16.092 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.304 -2.172 -15.039 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.750 -0.606 -14.400 1.00 0.00 H new ATOM 727 N LYS A 46 -2.885 -0.576 -11.546 1.00 0.00 N ATOM 728 CA LYS A 46 -3.368 -0.643 -10.177 1.00 0.00 C ATOM 729 C LYS A 46 -4.898 -0.642 -10.181 1.00 0.00 C ATOM 730 O LYS A 46 -5.521 0.137 -10.900 1.00 0.00 O ATOM 731 CB LYS A 46 -2.755 0.480 -9.337 1.00 0.00 C ATOM 732 CG LYS A 46 -2.976 1.842 -9.998 1.00 0.00 C ATOM 733 CD LYS A 46 -2.461 2.973 -9.106 1.00 0.00 C ATOM 734 CE LYS A 46 -0.986 2.767 -8.756 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.219 4.012 -8.984 1.00 0.00 N ATOM 0 H LYS A 46 -3.003 0.332 -11.996 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.050 -1.573 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.199 0.478 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.687 0.302 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.464 1.871 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.038 1.986 -10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.588 3.929 -9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.053 3.018 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.893 2.462 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.572 1.962 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.780 3.854 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.293 4.287 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.604 4.771 -8.387 1.00 0.00 H new ATOM 749 N VAL A 47 -5.461 -1.526 -9.369 1.00 0.00 N ATOM 750 CA VAL A 47 -6.906 -1.637 -9.270 1.00 0.00 C ATOM 751 C VAL A 47 -7.312 -1.653 -7.794 1.00 0.00 C ATOM 752 O VAL A 47 -6.509 -2.002 -6.930 1.00 0.00 O ATOM 753 CB VAL A 47 -7.390 -2.870 -10.036 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.467 -4.091 -9.118 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.738 -2.603 -10.708 1.00 0.00 C ATOM 0 H VAL A 47 -4.942 -2.172 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.388 -0.775 -9.731 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.662 -3.085 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.814 -4.953 -9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.479 -4.301 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.163 -3.891 -8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.060 -3.495 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.479 -2.350 -9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.638 -1.774 -11.408 1.00 0.00 H new ATOM 765 N CYS A 48 -8.557 -1.272 -7.552 1.00 0.00 N ATOM 766 CA CYS A 48 -9.079 -1.238 -6.196 1.00 0.00 C ATOM 767 C CYS A 48 -10.077 -2.387 -6.037 1.00 0.00 C ATOM 768 O CYS A 48 -10.659 -2.848 -7.017 1.00 0.00 O ATOM 769 CB CYS A 48 -9.710 0.116 -5.867 1.00 0.00 C ATOM 770 SG CYS A 48 -11.415 0.341 -6.493 1.00 0.00 S ATOM 0 H CYS A 48 -9.220 -0.984 -8.272 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.262 -1.366 -5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.715 0.245 -4.785 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.080 0.904 -6.279 1.00 0.00 H new ATOM 775 N ALA A 49 -10.243 -2.815 -4.794 1.00 0.00 N ATOM 776 CA ALA A 49 -11.160 -3.902 -4.494 1.00 0.00 C ATOM 777 C ALA A 49 -11.679 -3.744 -3.063 1.00 0.00 C ATOM 778 O ALA A 49 -11.021 -3.130 -2.225 1.00 0.00 O ATOM 779 CB ALA A 49 -10.455 -5.241 -4.715 1.00 0.00 C ATOM 0 H ALA A 49 -9.759 -2.429 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.021 -3.874 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.143 -6.056 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.132 -5.315 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.587 -5.308 -4.059 1.00 0.00 H new ATOM 785 N ASP A 50 -12.854 -4.310 -2.828 1.00 0.00 N ATOM 786 CA ASP A 50 -13.468 -4.241 -1.513 1.00 0.00 C ATOM 787 C ASP A 50 -12.839 -5.299 -0.604 1.00 0.00 C ATOM 788 O ASP A 50 -12.735 -6.465 -0.983 1.00 0.00 O ATOM 789 CB ASP A 50 -14.971 -4.518 -1.592 1.00 0.00 C ATOM 790 CG ASP A 50 -15.854 -3.272 -1.693 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.353 -2.190 -1.318 1.00 0.00 O ATOM 792 OD2 ASP A 50 -17.008 -3.431 -2.144 1.00 0.00 O ATOM 0 H ASP A 50 -13.397 -4.818 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.306 -3.238 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.163 -5.152 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.268 -5.085 -0.709 1.00 0.00 H new ATOM 797 N PRO A 51 -12.425 -4.843 0.608 1.00 0.00 N ATOM 798 CA PRO A 51 -11.809 -5.737 1.574 1.00 0.00 C ATOM 799 C PRO A 51 -12.856 -6.638 2.231 1.00 0.00 C ATOM 800 O PRO A 51 -12.532 -7.426 3.119 1.00 0.00 O ATOM 801 CB PRO A 51 -11.106 -4.823 2.564 1.00 0.00 C ATOM 802 CG PRO A 51 -11.737 -3.451 2.386 1.00 0.00 C ATOM 803 CD PRO A 51 -12.532 -3.469 1.090 1.00 0.00 C ATOM 0 HA PRO A 51 -11.099 -6.427 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.233 -5.182 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.034 -4.788 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.387 -3.217 3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.969 -2.679 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.572 -3.189 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.125 -2.763 0.366 1.00 0.00 H new ATOM 811 N GLN A 52 -14.090 -6.492 1.771 1.00 0.00 N ATOM 812 CA GLN A 52 -15.186 -7.283 2.304 1.00 0.00 C ATOM 813 C GLN A 52 -15.199 -8.672 1.661 1.00 0.00 C ATOM 814 O GLN A 52 -15.941 -9.553 2.094 1.00 0.00 O ATOM 815 CB GLN A 52 -16.525 -6.572 2.100 1.00 0.00 C ATOM 816 CG GLN A 52 -17.685 -7.430 2.609 1.00 0.00 C ATOM 817 CD GLN A 52 -18.482 -8.022 1.444 1.00 0.00 C ATOM 818 OE1 GLN A 52 -19.546 -7.304 1.097 1.00 0.00 O flip ATOM 819 NE2 GLN A 52 -18.152 -9.061 0.897 1.00 0.00 N flip ATOM 0 H GLN A 52 -14.355 -5.837 1.035 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.035 -7.402 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.517 -5.617 2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.667 -6.353 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.300 -8.234 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.342 -6.825 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.323 -9.563 1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.705 -9.428 0.123 1.00 0.00 H new ATOM 828 N ALA A 53 -14.371 -8.824 0.639 1.00 0.00 N ATOM 829 CA ALA A 53 -14.278 -10.090 -0.067 1.00 0.00 C ATOM 830 C ALA A 53 -13.202 -10.958 0.589 1.00 0.00 C ATOM 831 O ALA A 53 -12.086 -10.497 0.824 1.00 0.00 O ATOM 832 CB ALA A 53 -13.993 -9.830 -1.548 1.00 0.00 C ATOM 0 H ALA A 53 -13.758 -8.091 0.283 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.222 -10.632 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.923 -10.780 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.800 -9.235 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.052 -9.289 -1.648 1.00 0.00 H new ATOM 838 N THR A 54 -13.576 -12.198 0.867 1.00 0.00 N ATOM 839 CA THR A 54 -12.657 -13.134 1.492 1.00 0.00 C ATOM 840 C THR A 54 -11.541 -13.518 0.518 1.00 0.00 C ATOM 841 O THR A 54 -10.388 -13.668 0.917 1.00 0.00 O ATOM 842 CB THR A 54 -13.468 -14.332 1.989 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.046 -13.878 3.210 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.581 -15.506 2.411 1.00 0.00 C ATOM 0 H THR A 54 -14.503 -12.576 0.671 1.00 0.00 H new ATOM 0 HA THR A 54 -12.156 -12.683 2.349 1.00 0.00 H new ATOM 0 HB THR A 54 -14.152 -14.657 1.205 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.591 -14.593 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.207 -16.329 2.755 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.984 -15.835 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.920 -15.191 3.218 1.00 0.00 H new ATOM 852 N TRP A 55 -11.925 -13.664 -0.742 1.00 0.00 N ATOM 853 CA TRP A 55 -10.971 -14.027 -1.777 1.00 0.00 C ATOM 854 C TRP A 55 -9.896 -12.940 -1.831 1.00 0.00 C ATOM 855 O TRP A 55 -8.723 -13.233 -2.060 1.00 0.00 O ATOM 856 CB TRP A 55 -11.674 -14.241 -3.119 1.00 0.00 C ATOM 857 CG TRP A 55 -11.806 -12.970 -3.962 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.914 -12.261 -4.217 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.742 -12.283 -4.653 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.643 -11.171 -5.019 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.280 -11.185 -5.293 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.370 -12.579 -4.736 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.519 -10.295 -6.060 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.623 -11.680 -5.507 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.150 -10.570 -6.157 1.00 0.00 C ATOM 0 H TRP A 55 -12.883 -13.538 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.492 -14.978 -1.545 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.124 -14.988 -3.691 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.668 -14.648 -2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.896 -12.511 -3.842 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.318 -10.482 -5.350 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.927 -13.432 -4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.964 -9.442 -6.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.563 -11.862 -5.603 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.506 -9.923 -6.734 1.00 0.00 H new ATOM 876 N VAL A 56 -10.334 -11.708 -1.618 1.00 0.00 N ATOM 877 CA VAL A 56 -9.423 -10.576 -1.639 1.00 0.00 C ATOM 878 C VAL A 56 -8.477 -10.665 -0.440 1.00 0.00 C ATOM 879 O VAL A 56 -7.265 -10.521 -0.590 1.00 0.00 O ATOM 880 CB VAL A 56 -10.216 -9.268 -1.680 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.285 -8.059 -1.559 1.00 0.00 C ATOM 882 CG2 VAL A 56 -11.066 -9.181 -2.949 1.00 0.00 C ATOM 0 H VAL A 56 -11.308 -11.469 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.808 -10.597 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.891 -9.258 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.873 -7.142 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.743 -8.110 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.574 -8.063 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.619 -8.242 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.418 -9.224 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.767 -10.015 -2.975 1.00 0.00 H new ATOM 892 N ARG A 57 -9.067 -10.902 0.722 1.00 0.00 N ATOM 893 CA ARG A 57 -8.292 -11.011 1.946 1.00 0.00 C ATOM 894 C ARG A 57 -7.288 -12.162 1.838 1.00 0.00 C ATOM 895 O ARG A 57 -6.189 -12.085 2.385 1.00 0.00 O ATOM 896 CB ARG A 57 -9.200 -11.248 3.154 1.00 0.00 C ATOM 897 CG ARG A 57 -8.951 -10.201 4.241 1.00 0.00 C ATOM 898 CD ARG A 57 -10.245 -9.866 4.987 1.00 0.00 C ATOM 899 NE ARG A 57 -10.062 -10.084 6.439 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.923 -9.663 7.376 1.00 0.00 C ATOM 901 NH1 ARG A 57 -12.031 -9.000 7.018 1.00 0.00 N ATOM 902 NH2 ARG A 57 -10.676 -9.906 8.670 1.00 0.00 N ATOM 0 H ARG A 57 -10.073 -11.022 0.842 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.759 -10.071 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.244 -11.212 2.842 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.022 -12.245 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.207 -10.573 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.541 -9.296 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.525 -8.830 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.060 -10.489 4.617 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.229 -10.586 6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.219 -8.816 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.686 -8.680 7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.833 -10.411 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.331 -9.586 9.383 1.00 0.00 H new ATOM 916 N ASP A 58 -7.703 -13.201 1.128 1.00 0.00 N ATOM 917 CA ASP A 58 -6.854 -14.365 0.941 1.00 0.00 C ATOM 918 C ASP A 58 -5.681 -13.995 0.032 1.00 0.00 C ATOM 919 O ASP A 58 -4.538 -14.357 0.309 1.00 0.00 O ATOM 920 CB ASP A 58 -7.625 -15.508 0.276 1.00 0.00 C ATOM 921 CG ASP A 58 -7.114 -16.911 0.607 1.00 0.00 C ATOM 922 OD1 ASP A 58 -7.437 -17.385 1.718 1.00 0.00 O ATOM 923 OD2 ASP A 58 -6.413 -17.479 -0.258 1.00 0.00 O ATOM 0 H ASP A 58 -8.615 -13.261 0.676 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.504 -14.688 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.672 -15.440 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.589 -15.370 -0.805 1.00 0.00 H new ATOM 928 N VAL A 59 -6.003 -13.278 -1.035 1.00 0.00 N ATOM 929 CA VAL A 59 -4.990 -12.855 -1.986 1.00 0.00 C ATOM 930 C VAL A 59 -4.058 -11.843 -1.316 1.00 0.00 C ATOM 931 O VAL A 59 -2.853 -11.845 -1.563 1.00 0.00 O ATOM 932 CB VAL A 59 -5.655 -12.309 -3.251 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.834 -11.167 -3.853 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.881 -13.422 -4.276 1.00 0.00 C ATOM 0 H VAL A 59 -6.952 -12.979 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.380 -13.703 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.630 -11.909 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.329 -10.797 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.748 -10.359 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.839 -11.531 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.355 -13.007 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.923 -13.866 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.526 -14.188 -3.845 1.00 0.00 H new ATOM 944 N VAL A 60 -4.652 -11.003 -0.481 1.00 0.00 N ATOM 945 CA VAL A 60 -3.890 -9.987 0.226 1.00 0.00 C ATOM 946 C VAL A 60 -2.822 -10.665 1.087 1.00 0.00 C ATOM 947 O VAL A 60 -1.693 -10.185 1.173 1.00 0.00 O ATOM 948 CB VAL A 60 -4.833 -9.095 1.036 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.087 -8.403 2.178 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.528 -8.072 0.135 1.00 0.00 C ATOM 0 H VAL A 60 -5.652 -11.005 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.374 -9.336 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.601 -9.731 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.780 -7.775 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.661 -9.155 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.288 -7.785 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.193 -7.451 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.779 -7.443 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.108 -8.593 -0.627 1.00 0.00 H new ATOM 960 N ARG A 61 -3.217 -11.770 1.702 1.00 0.00 N ATOM 961 CA ARG A 61 -2.307 -12.518 2.553 1.00 0.00 C ATOM 962 C ARG A 61 -1.068 -12.943 1.762 1.00 0.00 C ATOM 963 O ARG A 61 0.056 -12.802 2.240 1.00 0.00 O ATOM 964 CB ARG A 61 -2.988 -13.762 3.128 1.00 0.00 C ATOM 965 CG ARG A 61 -1.982 -14.645 3.869 1.00 0.00 C ATOM 966 CD ARG A 61 -1.451 -13.941 5.120 1.00 0.00 C ATOM 967 NE ARG A 61 -1.838 -14.699 6.330 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.201 -14.614 7.506 1.00 0.00 C ATOM 969 NH1 ARG A 61 -0.143 -13.803 7.637 1.00 0.00 N ATOM 970 NH2 ARG A 61 -1.623 -15.340 8.550 1.00 0.00 N ATOM 0 H ARG A 61 -4.154 -12.165 1.628 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.011 -11.866 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.785 -13.463 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.453 -14.331 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.456 -15.585 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.152 -14.892 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.366 -13.855 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.848 -12.927 5.173 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.640 -15.326 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.178 -13.250 6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.342 -13.738 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.429 -15.957 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.138 -15.276 9.445 1.00 0.00 H new ATOM 984 N SER A 62 -1.317 -13.454 0.565 1.00 0.00 N ATOM 985 CA SER A 62 -0.236 -13.901 -0.297 1.00 0.00 C ATOM 986 C SER A 62 0.544 -12.695 -0.825 1.00 0.00 C ATOM 987 O SER A 62 1.774 -12.686 -0.796 1.00 0.00 O ATOM 988 CB SER A 62 -0.769 -14.739 -1.460 1.00 0.00 C ATOM 989 OG SER A 62 0.209 -15.649 -1.956 1.00 0.00 O ATOM 0 H SER A 62 -2.251 -13.568 0.172 1.00 0.00 H new ATOM 0 HA SER A 62 0.433 -14.530 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.648 -15.295 -1.133 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.091 -14.078 -2.265 1.00 0.00 H new ATOM 0 HG SER A 62 -0.171 -16.166 -2.696 1.00 0.00 H new ATOM 995 N MET A 63 -0.203 -11.707 -1.296 1.00 0.00 N ATOM 996 CA MET A 63 0.403 -10.499 -1.829 1.00 0.00 C ATOM 997 C MET A 63 1.570 -10.039 -0.954 1.00 0.00 C ATOM 998 O MET A 63 2.609 -9.625 -1.466 1.00 0.00 O ATOM 999 CB MET A 63 -0.648 -9.391 -1.904 1.00 0.00 C ATOM 1000 CG MET A 63 -1.525 -9.549 -3.148 1.00 0.00 C ATOM 1001 SD MET A 63 -0.526 -9.414 -4.621 1.00 0.00 S ATOM 1002 CE MET A 63 0.311 -7.873 -4.287 1.00 0.00 C ATOM 0 H MET A 63 -1.223 -11.719 -1.319 1.00 0.00 H new ATOM 0 HA MET A 63 0.786 -10.716 -2.826 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.271 -9.415 -1.010 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.156 -8.419 -1.923 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.029 -10.516 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.302 -8.785 -3.155 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.629 -7.421 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.368 -7.195 -3.769 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.183 -8.061 -3.661 1.00 0.00 H new ATOM 1012 N ASP A 64 1.360 -10.126 0.351 1.00 0.00 N ATOM 1013 CA ASP A 64 2.381 -9.723 1.303 1.00 0.00 C ATOM 1014 C ASP A 64 3.652 -10.540 1.057 1.00 0.00 C ATOM 1015 O ASP A 64 4.755 -9.995 1.062 1.00 0.00 O ATOM 1016 CB ASP A 64 1.926 -9.978 2.741 1.00 0.00 C ATOM 1017 CG ASP A 64 2.569 -9.072 3.793 1.00 0.00 C ATOM 1018 OD1 ASP A 64 3.530 -8.365 3.422 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.083 -9.106 4.944 1.00 0.00 O ATOM 0 H ASP A 64 0.497 -10.470 0.772 1.00 0.00 H new ATOM 0 HA ASP A 64 2.566 -8.657 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.844 -9.856 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.142 -11.016 2.996 1.00 0.00 H new ATOM 1024 N ARG A 65 3.454 -11.833 0.848 1.00 0.00 N ATOM 1025 CA ARG A 65 4.570 -12.730 0.601 1.00 0.00 C ATOM 1026 C ARG A 65 5.163 -12.471 -0.786 1.00 0.00 C ATOM 1027 O ARG A 65 6.369 -12.608 -0.985 1.00 0.00 O ATOM 1028 CB ARG A 65 4.132 -14.193 0.695 1.00 0.00 C ATOM 1029 CG ARG A 65 5.105 -15.106 -0.054 1.00 0.00 C ATOM 1030 CD ARG A 65 5.192 -16.480 0.615 1.00 0.00 C ATOM 1031 NE ARG A 65 6.198 -17.316 -0.078 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.466 -18.589 0.244 1.00 0.00 C ATOM 1033 NH1 ARG A 65 5.806 -19.179 1.250 1.00 0.00 N ATOM 1034 NH2 ARG A 65 7.395 -19.271 -0.440 1.00 0.00 N ATOM 0 H ARG A 65 2.538 -12.281 0.845 1.00 0.00 H new ATOM 0 HA ARG A 65 5.324 -12.538 1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.078 -14.494 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.130 -14.304 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.779 -15.221 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.093 -14.647 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.462 -16.366 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.219 -16.970 0.588 1.00 0.00 H new ATOM 0 HE ARG A 65 6.719 -16.897 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.100 -18.659 1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.010 -20.148 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.898 -18.821 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.599 -20.240 -0.195 1.00 0.00 H new ATOM 1048 N LYS A 66 4.287 -12.100 -1.708 1.00 0.00 N ATOM 1049 CA LYS A 66 4.709 -11.820 -3.070 1.00 0.00 C ATOM 1050 C LYS A 66 5.573 -10.557 -3.083 1.00 0.00 C ATOM 1051 O LYS A 66 6.531 -10.463 -3.849 1.00 0.00 O ATOM 1052 CB LYS A 66 3.498 -11.745 -4.002 1.00 0.00 C ATOM 1053 CG LYS A 66 3.898 -11.218 -5.381 1.00 0.00 C ATOM 1054 CD LYS A 66 3.555 -12.231 -6.476 1.00 0.00 C ATOM 1055 CE LYS A 66 4.357 -11.954 -7.749 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.488 -12.901 -7.865 1.00 0.00 N ATOM 0 H LYS A 66 3.287 -11.987 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 66 5.326 -12.633 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.051 -12.734 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.739 -11.095 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.385 -10.277 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.967 -11.007 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.765 -13.240 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.489 -12.186 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.709 -12.044 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.732 -10.931 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.022 -12.699 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.115 -12.796 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.123 -13.874 -7.901 1.00 0.00 H new ATOM 1070 N SER A 67 5.203 -9.617 -2.225 1.00 0.00 N ATOM 1071 CA SER A 67 5.932 -8.364 -2.128 1.00 0.00 C ATOM 1072 C SER A 67 6.410 -8.147 -0.691 1.00 0.00 C ATOM 1073 O SER A 67 6.372 -7.027 -0.183 1.00 0.00 O ATOM 1074 CB SER A 67 5.068 -7.187 -2.583 1.00 0.00 C ATOM 1075 OG SER A 67 5.840 -6.171 -3.218 1.00 0.00 O ATOM 0 H SER A 67 4.408 -9.698 -1.591 1.00 0.00 H new ATOM 0 HA SER A 67 6.798 -8.420 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.303 -7.544 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.550 -6.764 -1.722 1.00 0.00 H new ATOM 0 HG SER A 67 6.504 -5.822 -2.587 1.00 0.00 H new ATOM 1316 N GLN A 83 17.281 19.705 21.156 1.00 0.00 N ATOM 1317 CA GLN A 83 16.858 20.351 22.387 1.00 0.00 C ATOM 1318 C GLN A 83 17.995 20.339 23.411 1.00 0.00 C ATOM 1319 O GLN A 83 18.942 19.564 23.283 1.00 0.00 O ATOM 1320 CB GLN A 83 15.603 19.685 22.953 1.00 0.00 C ATOM 1321 CG GLN A 83 14.664 20.722 23.574 1.00 0.00 C ATOM 1322 CD GLN A 83 13.276 20.127 23.820 1.00 0.00 C ATOM 1323 OE1 GLN A 83 13.029 19.446 24.802 1.00 0.00 O ATOM 1324 NE2 GLN A 83 12.387 20.421 22.876 1.00 0.00 N ATOM 0 HA GLN A 83 16.609 21.388 22.163 1.00 0.00 H new ATOM 0 HB2 GLN A 83 15.083 19.147 22.160 1.00 0.00 H new ATOM 0 HB3 GLN A 83 15.886 18.949 23.705 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.082 21.079 24.515 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.582 21.585 22.913 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.660 20.997 22.080 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.432 20.071 22.948 1.00 0.00 H new ATOM 1333 N SER A 84 17.864 21.206 24.404 1.00 0.00 N ATOM 1334 CA SER A 84 18.868 21.305 25.449 1.00 0.00 C ATOM 1335 C SER A 84 18.293 22.043 26.659 1.00 0.00 C ATOM 1336 O SER A 84 17.193 22.590 26.592 1.00 0.00 O ATOM 1337 CB SER A 84 20.124 22.016 24.941 1.00 0.00 C ATOM 1338 OG SER A 84 19.855 23.360 24.550 1.00 0.00 O ATOM 0 H SER A 84 17.077 21.847 24.507 1.00 0.00 H new ATOM 0 HA SER A 84 19.151 20.296 25.748 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.884 22.011 25.722 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.534 21.467 24.093 1.00 0.00 H new ATOM 0 HG SER A 84 20.682 23.780 24.233 1.00 0.00 H new ATOM 1344 N THR A 85 19.062 22.035 27.738 1.00 0.00 N ATOM 1345 CA THR A 85 18.643 22.697 28.961 1.00 0.00 C ATOM 1346 C THR A 85 19.862 23.148 29.768 1.00 0.00 C ATOM 1347 O THR A 85 20.973 22.671 29.541 1.00 0.00 O ATOM 1348 CB THR A 85 17.728 21.740 29.727 1.00 0.00 C ATOM 1349 OG1 THR A 85 16.953 21.112 28.710 1.00 0.00 O ATOM 1350 CG2 THR A 85 16.694 22.476 30.582 1.00 0.00 C ATOM 0 H THR A 85 19.973 21.580 27.790 1.00 0.00 H new ATOM 0 HA THR A 85 18.080 23.606 28.746 1.00 0.00 H new ATOM 0 HB THR A 85 18.332 21.093 30.364 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.332 20.473 29.119 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.071 21.750 31.104 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.206 23.105 31.310 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.068 23.097 29.941 1.00 0.00 H new ATOM 1358 N ASN A 86 19.614 24.064 30.693 1.00 0.00 N ATOM 1359 CA ASN A 86 20.677 24.585 31.535 1.00 0.00 C ATOM 1360 C ASN A 86 20.158 24.744 32.966 1.00 0.00 C ATOM 1361 O ASN A 86 18.963 24.598 33.216 1.00 0.00 O ATOM 1362 CB ASN A 86 21.144 25.957 31.046 1.00 0.00 C ATOM 1363 CG ASN A 86 22.441 25.842 30.243 1.00 0.00 C ATOM 1364 OD1 ASN A 86 23.536 25.823 30.781 1.00 0.00 O ATOM 1365 ND2 ASN A 86 22.257 25.766 28.928 1.00 0.00 N ATOM 0 H ASN A 86 18.692 24.459 30.878 1.00 0.00 H new ATOM 0 HA ASN A 86 21.512 23.885 31.496 1.00 0.00 H new ATOM 0 HB2 ASN A 86 20.369 26.410 30.428 1.00 0.00 H new ATOM 0 HB3 ASN A 86 21.298 26.618 31.899 1.00 0.00 H new ATOM 0 HD21 ASN A 86 23.060 25.686 28.304 1.00 0.00 H new ATOM 0 HD22 ASN A 86 21.313 25.787 28.543 1.00 0.00 H new ATOM 1372 N THR A 87 21.083 25.041 33.867 1.00 0.00 N ATOM 1373 CA THR A 87 20.733 25.221 35.266 1.00 0.00 C ATOM 1374 C THR A 87 21.667 26.240 35.922 1.00 0.00 C ATOM 1375 O THR A 87 22.582 26.753 35.279 1.00 0.00 O ATOM 1376 CB THR A 87 20.762 23.848 35.941 1.00 0.00 C ATOM 1377 OG1 THR A 87 22.132 23.461 35.882 1.00 0.00 O ATOM 1378 CG2 THR A 87 20.037 22.778 35.123 1.00 0.00 C ATOM 0 H THR A 87 22.074 25.161 33.656 1.00 0.00 H new ATOM 0 HA THR A 87 19.729 25.631 35.373 1.00 0.00 H new ATOM 0 HB THR A 87 20.307 23.920 36.929 1.00 0.00 H new ATOM 0 HG1 THR A 87 22.242 22.581 36.300 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.087 21.823 35.647 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.994 23.065 34.992 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.512 22.682 34.147 1.00 0.00 H new ATOM 1386 N ALA A 88 21.403 26.505 37.193 1.00 0.00 N ATOM 1387 CA ALA A 88 22.208 27.454 37.943 1.00 0.00 C ATOM 1388 C ALA A 88 21.837 27.372 39.425 1.00 0.00 C ATOM 1389 O ALA A 88 20.749 27.788 39.820 1.00 0.00 O ATOM 1390 CB ALA A 88 22.010 28.858 37.368 1.00 0.00 C ATOM 0 H ALA A 88 20.643 26.079 37.723 1.00 0.00 H new ATOM 0 HA ALA A 88 23.267 27.213 37.855 1.00 0.00 H new ATOM 0 HB1 ALA A 88 22.614 29.570 37.931 1.00 0.00 H new ATOM 0 HB2 ALA A 88 22.316 28.869 36.322 1.00 0.00 H new ATOM 0 HB3 ALA A 88 20.959 29.136 37.441 1.00 0.00 H new ATOM 1396 N VAL A 89 22.762 26.833 40.205 1.00 0.00 N ATOM 1397 CA VAL A 89 22.546 26.691 41.635 1.00 0.00 C ATOM 1398 C VAL A 89 23.896 26.534 42.337 1.00 0.00 C ATOM 1399 O VAL A 89 24.629 25.582 42.075 1.00 0.00 O ATOM 1400 CB VAL A 89 21.591 25.526 41.907 1.00 0.00 C ATOM 1401 CG1 VAL A 89 22.262 24.185 41.603 1.00 0.00 C ATOM 1402 CG2 VAL A 89 21.073 25.567 43.345 1.00 0.00 C ATOM 0 H VAL A 89 23.663 26.489 39.874 1.00 0.00 H new ATOM 0 HA VAL A 89 22.071 27.584 42.040 1.00 0.00 H new ATOM 0 HB VAL A 89 20.735 25.631 41.240 1.00 0.00 H new ATOM 0 HG11 VAL A 89 21.562 23.374 41.805 1.00 0.00 H new ATOM 0 HG12 VAL A 89 22.559 24.156 40.555 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.144 24.068 42.233 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.397 24.729 43.512 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.913 25.499 44.036 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.540 26.503 43.513 1.00 0.00 H new ATOM 1412 N THR A 90 24.183 27.483 43.217 1.00 0.00 N ATOM 1413 CA THR A 90 25.432 27.462 43.959 1.00 0.00 C ATOM 1414 C THR A 90 25.158 27.336 45.459 1.00 0.00 C ATOM 1415 O THR A 90 24.135 27.811 45.950 1.00 0.00 O ATOM 1416 CB THR A 90 26.223 28.718 43.589 1.00 0.00 C ATOM 1417 OG1 THR A 90 26.463 28.577 42.192 1.00 0.00 O ATOM 1418 CG2 THR A 90 27.622 28.732 44.208 1.00 0.00 C ATOM 0 H THR A 90 23.572 28.271 43.432 1.00 0.00 H new ATOM 0 HA THR A 90 26.034 26.592 43.696 1.00 0.00 H new ATOM 0 HB THR A 90 25.674 29.602 43.913 1.00 0.00 H new ATOM 0 HG1 THR A 90 26.970 29.350 41.868 1.00 0.00 H new ATOM 0 HG21 THR A 90 28.141 29.644 43.914 1.00 0.00 H new ATOM 0 HG22 THR A 90 27.540 28.695 45.294 1.00 0.00 H new ATOM 0 HG23 THR A 90 28.184 27.866 43.857 1.00 0.00 H new ATOM 1426 N LEU A 91 26.091 26.693 46.147 1.00 0.00 N ATOM 1427 CA LEU A 91 25.963 26.498 47.581 1.00 0.00 C ATOM 1428 C LEU A 91 25.420 27.779 48.218 1.00 0.00 C ATOM 1429 O LEU A 91 25.582 28.867 47.668 1.00 0.00 O ATOM 1430 CB LEU A 91 27.291 26.029 48.178 1.00 0.00 C ATOM 1431 CG LEU A 91 28.291 27.130 48.539 1.00 0.00 C ATOM 1432 CD1 LEU A 91 28.907 26.881 49.916 1.00 0.00 C ATOM 1433 CD2 LEU A 91 29.357 27.279 47.452 1.00 0.00 C ATOM 0 H LEU A 91 26.939 26.301 45.737 1.00 0.00 H new ATOM 0 HA LEU A 91 25.246 25.706 47.796 1.00 0.00 H new ATOM 0 HB2 LEU A 91 27.078 25.450 49.077 1.00 0.00 H new ATOM 0 HB3 LEU A 91 27.767 25.352 47.468 1.00 0.00 H new ATOM 0 HG LEU A 91 27.753 28.076 48.594 1.00 0.00 H new ATOM 0 HD11 LEU A 91 29.614 27.678 50.148 1.00 0.00 H new ATOM 0 HD12 LEU A 91 28.119 26.864 50.669 1.00 0.00 H new ATOM 0 HD13 LEU A 91 29.428 25.923 49.914 1.00 0.00 H new ATOM 0 HD21 LEU A 91 30.055 28.068 47.733 1.00 0.00 H new ATOM 0 HD22 LEU A 91 29.897 26.339 47.341 1.00 0.00 H new ATOM 0 HD23 LEU A 91 28.879 27.537 46.507 1.00 0.00 H new ATOM 1445 N THR A 92 24.788 27.607 49.370 1.00 0.00 N ATOM 1446 CA THR A 92 24.220 28.735 50.088 1.00 0.00 C ATOM 1447 C THR A 92 25.184 29.214 51.175 1.00 0.00 C ATOM 1448 O THR A 92 25.743 28.406 51.914 1.00 0.00 O ATOM 1449 CB THR A 92 22.854 28.311 50.631 1.00 0.00 C ATOM 1450 OG1 THR A 92 22.525 29.326 51.575 1.00 0.00 O ATOM 1451 CG2 THR A 92 22.928 27.033 51.468 1.00 0.00 C ATOM 0 H THR A 92 24.657 26.703 49.824 1.00 0.00 H new ATOM 0 HA THR A 92 24.072 29.590 49.428 1.00 0.00 H new ATOM 0 HB THR A 92 22.164 28.161 49.801 1.00 0.00 H new ATOM 0 HG1 THR A 92 21.652 29.130 51.975 1.00 0.00 H new ATOM 0 HG21 THR A 92 21.932 26.776 51.829 1.00 0.00 H new ATOM 0 HG22 THR A 92 23.313 26.218 50.855 1.00 0.00 H new ATOM 0 HG23 THR A 92 23.592 27.192 52.318 1.00 0.00 H new