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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -140:sc= -0.993 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) 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 26 THR OG1 : rot 180:sc= 0.0115 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 -150:sc= 0.922 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc=-0.00847 (180deg=-0.192) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00572 X(o=-0.0057,f=0) 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= -1.62 (180deg=-4.44!) USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= -0.0976 (180deg=-1.52!) USER MOD Single : A 67 SER OG : rot -58:sc= 0.186 USER MOD Single : A 83 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.0013) USER MOD Single : A 84 SER OG : rot 65:sc= 0.23 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 86 ASN : amide:sc= 0.363 K(o=0.36,f=-2.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.381 3.577 -9.837 1.00 0.00 N ATOM 150 CA CYS A 11 -8.788 2.521 -10.750 1.00 0.00 C ATOM 151 C CYS A 11 -10.188 2.850 -11.270 1.00 0.00 C ATOM 152 O CYS A 11 -10.612 4.005 -11.238 1.00 0.00 O ATOM 153 CB CYS A 11 -8.736 1.146 -10.082 1.00 0.00 C ATOM 154 SG CYS A 11 -10.178 0.749 -9.026 1.00 0.00 S ATOM 0 HA CYS A 11 -8.092 2.472 -11.588 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.651 0.384 -10.857 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.832 1.086 -9.476 1.00 0.00 H new ATOM 159 N VAL A 12 -10.869 1.815 -11.739 1.00 0.00 N ATOM 160 CA VAL A 12 -12.213 1.980 -12.267 1.00 0.00 C ATOM 161 C VAL A 12 -13.229 1.718 -11.153 1.00 0.00 C ATOM 162 O VAL A 12 -13.699 2.653 -10.505 1.00 0.00 O ATOM 163 CB VAL A 12 -12.413 1.073 -13.483 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.864 1.113 -13.965 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.450 1.449 -14.611 1.00 0.00 C ATOM 0 H VAL A 12 -10.515 0.859 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.365 3.003 -12.613 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.190 0.050 -13.178 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.978 0.460 -14.830 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.523 0.775 -13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.127 2.133 -14.244 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.613 0.789 -15.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.628 2.481 -14.912 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.423 1.344 -14.262 1.00 0.00 H new ATOM 175 N SER A 13 -13.538 0.444 -10.965 1.00 0.00 N ATOM 176 CA SER A 13 -14.490 0.048 -9.941 1.00 0.00 C ATOM 177 C SER A 13 -13.774 -0.728 -8.833 1.00 0.00 C ATOM 178 O SER A 13 -12.550 -0.674 -8.725 1.00 0.00 O ATOM 179 CB SER A 13 -15.619 -0.796 -10.535 1.00 0.00 C ATOM 180 OG SER A 13 -16.895 -0.410 -10.032 1.00 0.00 O ATOM 0 H SER A 13 -13.146 -0.328 -11.504 1.00 0.00 H new ATOM 0 HA SER A 13 -14.932 0.950 -9.518 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.612 -0.698 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.443 -1.848 -10.309 1.00 0.00 H new ATOM 0 HG SER A 13 -17.589 -0.971 -10.436 1.00 0.00 H new ATOM 186 N LEU A 14 -14.568 -1.431 -8.039 1.00 0.00 N ATOM 187 CA LEU A 14 -14.025 -2.217 -6.945 1.00 0.00 C ATOM 188 C LEU A 14 -14.082 -3.701 -7.310 1.00 0.00 C ATOM 189 O LEU A 14 -15.151 -4.310 -7.286 1.00 0.00 O ATOM 190 CB LEU A 14 -14.743 -1.879 -5.635 1.00 0.00 C ATOM 191 CG LEU A 14 -14.056 -0.841 -4.744 1.00 0.00 C ATOM 192 CD1 LEU A 14 -14.966 -0.426 -3.587 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.701 -1.352 -4.252 1.00 0.00 C ATOM 0 H LEU A 14 -15.583 -1.473 -8.132 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.976 -1.968 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.744 -1.519 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.864 -2.798 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.866 0.051 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.455 0.312 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.885 0.006 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.208 -1.300 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.234 -0.596 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.844 -2.266 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.058 -1.559 -5.107 1.00 0.00 H new ATOM 205 N THR A 15 -12.919 -4.241 -7.642 1.00 0.00 N ATOM 206 CA THR A 15 -12.822 -5.643 -8.012 1.00 0.00 C ATOM 207 C THR A 15 -13.449 -5.875 -9.389 1.00 0.00 C ATOM 208 O THR A 15 -13.156 -5.151 -10.339 1.00 0.00 O ATOM 209 CB THR A 15 -13.471 -6.472 -6.902 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.033 -5.844 -5.700 1.00 0.00 O ATOM 211 CG2 THR A 15 -12.896 -7.887 -6.815 1.00 0.00 C ATOM 0 H THR A 15 -12.035 -3.733 -7.663 1.00 0.00 H new ATOM 0 HA THR A 15 -11.782 -5.956 -8.105 1.00 0.00 H new ATOM 0 HB THR A 15 -14.546 -6.528 -7.072 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.823 -6.529 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.391 -8.432 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.060 -8.405 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.827 -7.833 -6.612 1.00 0.00 H new ATOM 219 N THR A 16 -14.302 -6.887 -9.452 1.00 0.00 N ATOM 220 CA THR A 16 -14.974 -7.223 -10.696 1.00 0.00 C ATOM 221 C THR A 16 -14.072 -8.098 -11.569 1.00 0.00 C ATOM 222 O THR A 16 -14.348 -8.296 -12.751 1.00 0.00 O ATOM 223 CB THR A 16 -15.394 -5.918 -11.374 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.650 -6.226 -11.972 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.496 -5.557 -12.560 1.00 0.00 C ATOM 0 H THR A 16 -14.543 -7.485 -8.662 1.00 0.00 H new ATOM 0 HA THR A 16 -15.871 -7.815 -10.514 1.00 0.00 H new ATOM 0 HB THR A 16 -15.374 -5.108 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.996 -5.433 -12.433 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.838 -4.623 -13.004 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.468 -5.440 -12.216 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.541 -6.351 -13.305 1.00 0.00 H new ATOM 233 N GLN A 17 -13.011 -8.599 -10.953 1.00 0.00 N ATOM 234 CA GLN A 17 -12.067 -9.449 -11.658 1.00 0.00 C ATOM 235 C GLN A 17 -10.942 -9.887 -10.719 1.00 0.00 C ATOM 236 O GLN A 17 -10.072 -9.089 -10.371 1.00 0.00 O ATOM 237 CB GLN A 17 -11.506 -8.738 -12.892 1.00 0.00 C ATOM 238 CG GLN A 17 -11.162 -9.741 -13.994 1.00 0.00 C ATOM 239 CD GLN A 17 -11.049 -9.047 -15.353 1.00 0.00 C ATOM 240 OE1 GLN A 17 -9.976 -8.890 -15.912 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.213 -8.640 -15.850 1.00 0.00 N ATOM 0 H GLN A 17 -12.784 -8.432 -9.973 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.595 -10.339 -12.000 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.236 -8.019 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.614 -8.174 -12.617 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.222 -10.239 -13.757 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.929 -10.514 -14.039 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.075 -8.803 -15.330 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.244 -8.164 -16.752 1.00 0.00 H new ATOM 250 N ARG A 18 -10.995 -11.153 -10.334 1.00 0.00 N ATOM 251 CA ARG A 18 -9.992 -11.708 -9.442 1.00 0.00 C ATOM 252 C ARG A 18 -8.614 -11.671 -10.105 1.00 0.00 C ATOM 253 O ARG A 18 -8.183 -12.655 -10.705 1.00 0.00 O ATOM 254 CB ARG A 18 -10.330 -13.151 -9.061 1.00 0.00 C ATOM 255 CG ARG A 18 -10.145 -13.380 -7.560 1.00 0.00 C ATOM 256 CD ARG A 18 -9.802 -14.841 -7.266 1.00 0.00 C ATOM 257 NE ARG A 18 -10.818 -15.731 -7.872 1.00 0.00 N ATOM 258 CZ ARG A 18 -10.677 -16.332 -9.062 1.00 0.00 C ATOM 259 NH1 ARG A 18 -9.562 -16.142 -9.780 1.00 0.00 N ATOM 260 NH2 ARG A 18 -11.651 -17.123 -9.532 1.00 0.00 N ATOM 0 H ARG A 18 -11.718 -11.811 -10.624 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.980 -11.100 -8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.359 -13.373 -9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.692 -13.837 -9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.351 -12.734 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.057 -13.104 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.815 -15.079 -7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.760 -15.004 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.679 -15.897 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.821 -15.540 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.454 -16.599 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.499 -17.268 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.544 -17.580 -10.437 1.00 0.00 H new ATOM 274 N LEU A 19 -7.960 -10.527 -9.974 1.00 0.00 N ATOM 275 CA LEU A 19 -6.638 -10.349 -10.553 1.00 0.00 C ATOM 276 C LEU A 19 -5.721 -11.475 -10.075 1.00 0.00 C ATOM 277 O LEU A 19 -5.805 -11.904 -8.924 1.00 0.00 O ATOM 278 CB LEU A 19 -6.104 -8.948 -10.248 1.00 0.00 C ATOM 279 CG LEU A 19 -6.174 -7.938 -11.395 1.00 0.00 C ATOM 280 CD1 LEU A 19 -5.048 -8.175 -12.403 1.00 0.00 C ATOM 281 CD2 LEU A 19 -7.552 -7.959 -12.060 1.00 0.00 C ATOM 0 H LEU A 19 -8.320 -9.713 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.685 -10.417 -11.640 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.660 -8.545 -9.402 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.065 -9.038 -9.933 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.031 -6.940 -10.981 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.121 -7.444 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.085 -8.071 -11.904 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.135 -9.180 -12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.575 -7.232 -12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.749 -8.954 -12.458 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.315 -7.705 -11.324 1.00 0.00 H new ATOM 293 N PRO A 20 -4.844 -11.937 -11.005 1.00 0.00 N ATOM 294 CA PRO A 20 -3.911 -13.006 -10.691 1.00 0.00 C ATOM 295 C PRO A 20 -2.766 -12.494 -9.814 1.00 0.00 C ATOM 296 O PRO A 20 -1.940 -11.701 -10.266 1.00 0.00 O ATOM 297 CB PRO A 20 -3.440 -13.527 -12.038 1.00 0.00 C ATOM 298 CG PRO A 20 -3.764 -12.434 -13.044 1.00 0.00 C ATOM 299 CD PRO A 20 -4.716 -11.454 -12.378 1.00 0.00 C ATOM 0 HA PRO A 20 -4.369 -13.806 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.371 -13.739 -12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.946 -14.457 -12.296 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.854 -11.926 -13.362 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.219 -12.861 -13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.322 -10.438 -12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.682 -11.435 -12.883 1.00 0.00 H new ATOM 307 N VAL A 21 -2.754 -12.967 -8.577 1.00 0.00 N ATOM 308 CA VAL A 21 -1.723 -12.567 -7.632 1.00 0.00 C ATOM 309 C VAL A 21 -0.347 -12.760 -8.275 1.00 0.00 C ATOM 310 O VAL A 21 0.551 -11.942 -8.082 1.00 0.00 O ATOM 311 CB VAL A 21 -1.885 -13.342 -6.323 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.721 -13.057 -5.371 1.00 0.00 C ATOM 313 CG2 VAL A 21 -3.227 -13.023 -5.660 1.00 0.00 C ATOM 0 H VAL A 21 -3.441 -13.623 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.821 -11.510 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.873 -14.406 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.860 -13.620 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.215 -13.357 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.689 -11.991 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.317 -13.587 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.281 -11.956 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.040 -13.299 -6.332 1.00 0.00 H new ATOM 323 N SER A 22 -0.226 -13.845 -9.023 1.00 0.00 N ATOM 324 CA SER A 22 1.026 -14.155 -9.694 1.00 0.00 C ATOM 325 C SER A 22 1.439 -12.989 -10.595 1.00 0.00 C ATOM 326 O SER A 22 2.595 -12.896 -11.004 1.00 0.00 O ATOM 327 CB SER A 22 0.908 -15.441 -10.514 1.00 0.00 C ATOM 328 OG SER A 22 2.064 -16.264 -10.387 1.00 0.00 O ATOM 0 H SER A 22 -0.973 -14.521 -9.180 1.00 0.00 H new ATOM 0 HA SER A 22 1.792 -14.309 -8.934 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.029 -15.998 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.756 -15.189 -11.564 1.00 0.00 H new ATOM 0 HG SER A 22 1.948 -17.076 -10.924 1.00 0.00 H new ATOM 334 N ARG A 23 0.472 -12.129 -10.876 1.00 0.00 N ATOM 335 CA ARG A 23 0.721 -10.972 -11.720 1.00 0.00 C ATOM 336 C ARG A 23 0.724 -9.693 -10.881 1.00 0.00 C ATOM 337 O ARG A 23 1.189 -8.649 -11.336 1.00 0.00 O ATOM 338 CB ARG A 23 -0.340 -10.852 -12.817 1.00 0.00 C ATOM 339 CG ARG A 23 0.262 -11.140 -14.195 1.00 0.00 C ATOM 340 CD ARG A 23 0.222 -12.636 -14.508 1.00 0.00 C ATOM 341 NE ARG A 23 -0.154 -12.848 -15.923 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.390 -14.050 -16.467 1.00 0.00 C ATOM 343 NH1 ARG A 23 -0.288 -15.156 -15.718 1.00 0.00 N ATOM 344 NH2 ARG A 23 -0.727 -14.146 -17.760 1.00 0.00 N ATOM 0 H ARG A 23 -0.486 -12.210 -10.534 1.00 0.00 H new ATOM 0 HA ARG A 23 1.697 -11.106 -12.187 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.154 -11.549 -12.619 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.769 -9.850 -12.805 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.288 -10.590 -14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.292 -10.785 -14.227 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.196 -13.083 -14.311 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.495 -13.133 -13.854 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.239 -12.027 -16.523 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.031 -15.083 -14.734 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.468 -16.071 -16.132 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.804 -13.304 -18.331 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.907 -15.061 -18.174 1.00 0.00 H new ATOM 358 N ILE A 24 0.199 -9.816 -9.671 1.00 0.00 N ATOM 359 CA ILE A 24 0.135 -8.683 -8.764 1.00 0.00 C ATOM 360 C ILE A 24 1.467 -8.553 -8.023 1.00 0.00 C ATOM 361 O ILE A 24 2.085 -9.556 -7.667 1.00 0.00 O ATOM 362 CB ILE A 24 -1.075 -8.807 -7.836 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.357 -9.048 -8.636 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.191 -7.586 -6.920 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.421 -9.730 -7.773 1.00 0.00 C ATOM 0 H ILE A 24 -0.186 -10.683 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.013 -7.757 -9.321 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.927 -9.677 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.740 -8.099 -9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.137 -9.668 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.059 -7.699 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.291 -7.501 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.306 -6.687 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.322 -9.890 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.043 -10.690 -7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.657 -9.097 -6.918 1.00 0.00 H new ATOM 377 N LYS A 25 1.871 -7.309 -7.811 1.00 0.00 N ATOM 378 CA LYS A 25 3.118 -7.034 -7.119 1.00 0.00 C ATOM 379 C LYS A 25 2.818 -6.629 -5.675 1.00 0.00 C ATOM 380 O LYS A 25 2.953 -7.438 -4.758 1.00 0.00 O ATOM 381 CB LYS A 25 3.943 -6.000 -7.889 1.00 0.00 C ATOM 382 CG LYS A 25 5.428 -6.366 -7.880 1.00 0.00 C ATOM 383 CD LYS A 25 6.034 -6.167 -6.490 1.00 0.00 C ATOM 384 CE LYS A 25 7.190 -5.167 -6.532 1.00 0.00 C ATOM 385 NZ LYS A 25 8.044 -5.310 -5.332 1.00 0.00 N ATOM 0 H LYS A 25 1.356 -6.480 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 25 3.735 -7.932 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.586 -5.938 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.805 -5.015 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.552 -7.404 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.962 -5.751 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.266 -5.812 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.389 -7.123 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.786 -5.328 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.798 -4.151 -6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.824 -4.623 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.476 -5.133 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.433 -6.274 -5.296 1.00 0.00 H new ATOM 399 N THR A 26 2.415 -5.376 -5.518 1.00 0.00 N ATOM 400 CA THR A 26 2.093 -4.853 -4.201 1.00 0.00 C ATOM 401 C THR A 26 0.658 -4.324 -4.172 1.00 0.00 C ATOM 402 O THR A 26 -0.021 -4.306 -5.199 1.00 0.00 O ATOM 403 CB THR A 26 3.138 -3.794 -3.844 1.00 0.00 C ATOM 404 OG1 THR A 26 3.123 -3.756 -2.419 1.00 0.00 O ATOM 405 CG2 THR A 26 2.709 -2.386 -4.260 1.00 0.00 C ATOM 0 H THR A 26 2.304 -4.708 -6.281 1.00 0.00 H new ATOM 0 HA THR A 26 2.132 -5.637 -3.445 1.00 0.00 H new ATOM 0 HB THR A 26 4.085 -4.042 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.774 -3.095 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.485 -1.673 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.556 -2.356 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.780 -2.124 -3.754 1.00 0.00 H new ATOM 413 N TYR A 27 0.237 -3.907 -2.988 1.00 0.00 N ATOM 414 CA TYR A 27 -1.105 -3.379 -2.813 1.00 0.00 C ATOM 415 C TYR A 27 -1.117 -2.242 -1.789 1.00 0.00 C ATOM 416 O TYR A 27 -0.203 -2.124 -0.976 1.00 0.00 O ATOM 417 CB TYR A 27 -1.948 -4.539 -2.279 1.00 0.00 C ATOM 418 CG TYR A 27 -1.537 -5.018 -0.886 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.307 -5.613 -0.696 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.397 -4.855 0.181 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.080 -6.064 0.616 1.00 0.00 C ATOM 422 CE2 TYR A 27 -2.010 -5.305 1.494 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.791 -5.888 1.646 1.00 0.00 C ATOM 424 OH TYR A 27 -0.426 -6.312 2.885 1.00 0.00 O ATOM 0 H TYR A 27 0.802 -3.924 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.487 -2.982 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.994 -4.232 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.878 -5.375 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.366 -5.741 -1.531 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.360 -4.390 0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.040 -6.531 0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.673 -5.182 2.338 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.146 -6.120 3.522 1.00 0.00 H new ATOM 434 N THR A 28 -2.165 -1.435 -1.863 1.00 0.00 N ATOM 435 CA THR A 28 -2.309 -0.311 -0.953 1.00 0.00 C ATOM 436 C THR A 28 -3.749 -0.220 -0.441 1.00 0.00 C ATOM 437 O THR A 28 -4.682 -0.066 -1.228 1.00 0.00 O ATOM 438 CB THR A 28 -1.843 0.951 -1.681 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.561 1.222 -1.119 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.677 2.180 -1.316 1.00 0.00 C ATOM 0 H THR A 28 -2.922 -1.537 -2.539 1.00 0.00 H new ATOM 0 HA THR A 28 -1.689 -0.439 -0.066 1.00 0.00 H new ATOM 0 HB THR A 28 -1.891 0.787 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.184 2.025 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.304 3.048 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.719 2.005 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.603 2.365 -0.244 1.00 0.00 H new ATOM 448 N ILE A 29 -3.884 -0.319 0.873 1.00 0.00 N ATOM 449 CA ILE A 29 -5.194 -0.250 1.498 1.00 0.00 C ATOM 450 C ILE A 29 -5.394 1.143 2.098 1.00 0.00 C ATOM 451 O ILE A 29 -4.509 1.665 2.774 1.00 0.00 O ATOM 452 CB ILE A 29 -5.366 -1.386 2.509 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.238 -2.750 1.828 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.685 -1.247 3.270 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.408 -3.886 2.839 1.00 0.00 C ATOM 0 H ILE A 29 -3.108 -0.446 1.522 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.979 -0.394 0.756 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.562 -1.316 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.990 -2.841 1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.263 -2.830 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.782 -2.067 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.698 -0.298 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.516 -1.277 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.313 -4.844 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.640 -3.806 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.393 -3.817 3.301 1.00 0.00 H new ATOM 467 N THR A 30 -6.564 1.705 1.830 1.00 0.00 N ATOM 468 CA THR A 30 -6.892 3.027 2.336 1.00 0.00 C ATOM 469 C THR A 30 -7.721 2.918 3.617 1.00 0.00 C ATOM 470 O THR A 30 -8.318 1.876 3.888 1.00 0.00 O ATOM 471 CB THR A 30 -7.600 3.797 1.218 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.410 2.816 0.578 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.635 4.257 0.123 1.00 0.00 C ATOM 0 H THR A 30 -7.296 1.269 1.269 1.00 0.00 H new ATOM 0 HA THR A 30 -5.994 3.579 2.614 1.00 0.00 H new ATOM 0 HB THR A 30 -8.109 4.663 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.517 3.047 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.188 4.798 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.879 4.913 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.150 3.389 -0.323 1.00 0.00 H new ATOM 481 N GLU A 31 -7.732 4.007 4.371 1.00 0.00 N ATOM 482 CA GLU A 31 -8.477 4.046 5.617 1.00 0.00 C ATOM 483 C GLU A 31 -9.549 5.137 5.561 1.00 0.00 C ATOM 484 O GLU A 31 -10.515 5.103 6.321 1.00 0.00 O ATOM 485 CB GLU A 31 -7.542 4.259 6.809 1.00 0.00 C ATOM 486 CG GLU A 31 -7.523 3.028 7.718 1.00 0.00 C ATOM 487 CD GLU A 31 -6.326 2.130 7.400 1.00 0.00 C ATOM 488 OE1 GLU A 31 -6.469 1.300 6.476 1.00 0.00 O ATOM 489 OE2 GLU A 31 -5.295 2.295 8.087 1.00 0.00 O ATOM 0 H GLU A 31 -7.237 4.869 4.143 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.971 3.084 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.533 4.467 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.865 5.131 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.480 3.342 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.448 2.465 7.593 1.00 0.00 H new ATOM 496 N GLY A 32 -9.343 6.078 4.651 1.00 0.00 N ATOM 497 CA GLY A 32 -10.280 7.176 4.485 1.00 0.00 C ATOM 498 C GLY A 32 -11.581 6.694 3.841 1.00 0.00 C ATOM 499 O GLY A 32 -11.781 5.494 3.659 1.00 0.00 O ATOM 0 H GLY A 32 -8.541 6.103 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.495 7.625 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.830 7.953 3.867 1.00 0.00 H new ATOM 503 N SER A 33 -12.432 7.655 3.512 1.00 0.00 N ATOM 504 CA SER A 33 -13.708 7.343 2.891 1.00 0.00 C ATOM 505 C SER A 33 -13.527 6.243 1.845 1.00 0.00 C ATOM 506 O SER A 33 -14.448 5.468 1.588 1.00 0.00 O ATOM 507 CB SER A 33 -14.327 8.587 2.251 1.00 0.00 C ATOM 508 OG SER A 33 -15.557 8.953 2.872 1.00 0.00 O ATOM 0 H SER A 33 -12.263 8.649 3.664 1.00 0.00 H new ATOM 0 HA SER A 33 -14.388 6.989 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.625 9.418 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.498 8.402 1.190 1.00 0.00 H new ATOM 0 HG SER A 33 -15.919 9.752 2.436 1.00 0.00 H new ATOM 514 N LEU A 34 -12.333 6.207 1.271 1.00 0.00 N ATOM 515 CA LEU A 34 -12.020 5.213 0.258 1.00 0.00 C ATOM 516 C LEU A 34 -12.090 3.817 0.881 1.00 0.00 C ATOM 517 O LEU A 34 -12.834 2.959 0.409 1.00 0.00 O ATOM 518 CB LEU A 34 -10.675 5.526 -0.401 1.00 0.00 C ATOM 519 CG LEU A 34 -10.689 5.650 -1.925 1.00 0.00 C ATOM 520 CD1 LEU A 34 -9.313 6.065 -2.454 1.00 0.00 C ATOM 521 CD2 LEU A 34 -11.188 4.359 -2.577 1.00 0.00 C ATOM 0 H LEU A 34 -11.571 6.850 1.488 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.757 5.241 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.297 6.459 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.967 4.744 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.390 6.439 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.350 6.146 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.035 7.029 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.573 5.316 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.188 4.475 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.531 3.534 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.201 4.147 -2.235 1.00 0.00 H new ATOM 533 N ARG A 35 -11.304 3.633 1.932 1.00 0.00 N ATOM 534 CA ARG A 35 -11.267 2.356 2.624 1.00 0.00 C ATOM 535 C ARG A 35 -11.392 1.206 1.623 1.00 0.00 C ATOM 536 O ARG A 35 -12.351 0.437 1.671 1.00 0.00 O ATOM 537 CB ARG A 35 -12.396 2.254 3.652 1.00 0.00 C ATOM 538 CG ARG A 35 -12.005 1.329 4.807 1.00 0.00 C ATOM 539 CD ARG A 35 -12.098 2.058 6.149 1.00 0.00 C ATOM 540 NE ARG A 35 -12.603 1.137 7.191 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.832 0.276 7.871 1.00 0.00 C ATOM 542 NH1 ARG A 35 -10.517 0.214 7.621 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.377 -0.522 8.799 1.00 0.00 N ATOM 0 H ARG A 35 -10.688 4.347 2.321 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.311 2.288 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.631 3.246 4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.299 1.878 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.659 0.457 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.989 0.964 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.118 2.440 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.761 2.918 6.060 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.600 1.158 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.103 0.822 6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.930 -0.441 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.378 -0.475 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.791 -1.177 9.316 1.00 0.00 H new ATOM 557 N ALA A 36 -10.408 1.123 0.740 1.00 0.00 N ATOM 558 CA ALA A 36 -10.396 0.080 -0.271 1.00 0.00 C ATOM 559 C ALA A 36 -8.973 -0.462 -0.422 1.00 0.00 C ATOM 560 O ALA A 36 -8.005 0.230 -0.107 1.00 0.00 O ATOM 561 CB ALA A 36 -10.951 0.634 -1.584 1.00 0.00 C ATOM 0 H ALA A 36 -9.613 1.761 0.704 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.035 -0.751 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.942 -0.149 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.974 0.978 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.334 1.468 -1.917 1.00 0.00 H new ATOM 567 N VAL A 37 -8.890 -1.693 -0.903 1.00 0.00 N ATOM 568 CA VAL A 37 -7.601 -2.335 -1.099 1.00 0.00 C ATOM 569 C VAL A 37 -7.177 -2.179 -2.561 1.00 0.00 C ATOM 570 O VAL A 37 -7.856 -2.662 -3.464 1.00 0.00 O ATOM 571 CB VAL A 37 -7.670 -3.795 -0.650 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.504 -3.939 0.625 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.217 -4.688 -1.766 1.00 0.00 C ATOM 0 H VAL A 37 -9.694 -2.264 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.838 -1.856 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.655 -4.123 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.537 -4.987 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.053 -3.349 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.517 -3.583 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.255 -5.721 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.220 -4.359 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.566 -4.622 -2.637 1.00 0.00 H new ATOM 583 N ILE A 38 -6.053 -1.501 -2.748 1.00 0.00 N ATOM 584 CA ILE A 38 -5.529 -1.275 -4.084 1.00 0.00 C ATOM 585 C ILE A 38 -4.464 -2.328 -4.395 1.00 0.00 C ATOM 586 O ILE A 38 -3.568 -2.569 -3.588 1.00 0.00 O ATOM 587 CB ILE A 38 -5.030 0.165 -4.228 1.00 0.00 C ATOM 588 CG1 ILE A 38 -6.101 1.163 -3.784 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.546 0.437 -5.654 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.262 1.200 -4.781 1.00 0.00 C ATOM 0 H ILE A 38 -5.491 -1.101 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.319 -1.390 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.173 0.298 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.473 0.888 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.662 2.157 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.197 1.467 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.729 -0.242 -5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.367 0.280 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.010 1.917 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.890 1.499 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.714 0.210 -4.850 1.00 0.00 H new ATOM 602 N PHE A 39 -4.598 -2.931 -5.568 1.00 0.00 N ATOM 603 CA PHE A 39 -3.659 -3.954 -5.995 1.00 0.00 C ATOM 604 C PHE A 39 -2.822 -3.469 -7.182 1.00 0.00 C ATOM 605 O PHE A 39 -3.365 -3.149 -8.238 1.00 0.00 O ATOM 606 CB PHE A 39 -4.485 -5.165 -6.431 1.00 0.00 C ATOM 607 CG PHE A 39 -4.964 -6.041 -5.271 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.087 -6.857 -4.626 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.267 -6.003 -4.883 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.531 -7.670 -3.550 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.712 -6.816 -3.807 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.835 -7.632 -3.163 1.00 0.00 C ATOM 0 H PHE A 39 -5.343 -2.730 -6.235 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.978 -4.198 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.352 -4.817 -6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.888 -5.774 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.052 -6.886 -4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.964 -5.354 -5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.834 -8.318 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.747 -6.786 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.174 -8.250 -2.344 1.00 0.00 H new ATOM 622 N ILE A 40 -1.515 -3.431 -6.967 1.00 0.00 N ATOM 623 CA ILE A 40 -0.599 -2.991 -8.006 1.00 0.00 C ATOM 624 C ILE A 40 -0.007 -4.214 -8.708 1.00 0.00 C ATOM 625 O ILE A 40 0.527 -5.110 -8.056 1.00 0.00 O ATOM 626 CB ILE A 40 0.453 -2.045 -7.424 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.172 -1.083 -6.412 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.197 -1.302 -8.537 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.787 0.060 -6.077 1.00 0.00 C ATOM 0 H ILE A 40 -1.069 -3.697 -6.089 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.129 -2.414 -8.764 1.00 0.00 H new ATOM 0 HB ILE A 40 1.189 -2.643 -6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.100 -0.677 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.430 -1.624 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.939 -0.636 -8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.695 -2.023 -9.185 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.487 -0.718 -9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.318 0.729 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.704 -0.347 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.024 0.614 -6.985 1.00 0.00 H new ATOM 641 N THR A 41 -0.120 -4.211 -10.028 1.00 0.00 N ATOM 642 CA THR A 41 0.398 -5.308 -10.826 1.00 0.00 C ATOM 643 C THR A 41 1.755 -4.936 -11.428 1.00 0.00 C ATOM 644 O THR A 41 2.129 -3.765 -11.446 1.00 0.00 O ATOM 645 CB THR A 41 -0.654 -5.667 -11.877 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.301 -4.429 -12.156 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.769 -6.551 -11.311 1.00 0.00 C ATOM 0 H THR A 41 -0.563 -3.465 -10.565 1.00 0.00 H new ATOM 0 HA THR A 41 0.580 -6.190 -10.213 1.00 0.00 H new ATOM 0 HB THR A 41 -0.174 -6.178 -12.712 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.999 -4.569 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.489 -6.777 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.341 -7.480 -10.934 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.272 -6.027 -10.498 1.00 0.00 H new ATOM 655 N LYS A 42 2.454 -5.955 -11.906 1.00 0.00 N ATOM 656 CA LYS A 42 3.761 -5.751 -12.507 1.00 0.00 C ATOM 657 C LYS A 42 3.656 -4.674 -13.589 1.00 0.00 C ATOM 658 O LYS A 42 4.504 -3.786 -13.672 1.00 0.00 O ATOM 659 CB LYS A 42 4.332 -7.077 -13.012 1.00 0.00 C ATOM 660 CG LYS A 42 5.517 -7.525 -12.153 1.00 0.00 C ATOM 661 CD LYS A 42 5.085 -7.769 -10.707 1.00 0.00 C ATOM 662 CE LYS A 42 4.171 -8.991 -10.605 1.00 0.00 C ATOM 663 NZ LYS A 42 4.938 -10.233 -10.848 1.00 0.00 N ATOM 0 H LYS A 42 2.139 -6.925 -11.889 1.00 0.00 H new ATOM 0 HA LYS A 42 4.471 -5.389 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.556 -7.842 -12.995 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.650 -6.969 -14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.946 -8.437 -12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.298 -6.765 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.965 -7.916 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.566 -6.890 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.712 -9.028 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.361 -8.909 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.374 -11.054 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.154 -10.315 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.825 -10.205 -10.306 1.00 0.00 H new ATOM 677 N ARG A 43 2.609 -4.788 -14.393 1.00 0.00 N ATOM 678 CA ARG A 43 2.382 -3.835 -15.467 1.00 0.00 C ATOM 679 C ARG A 43 2.356 -2.409 -14.914 1.00 0.00 C ATOM 680 O ARG A 43 2.518 -1.446 -15.663 1.00 0.00 O ATOM 681 CB ARG A 43 1.064 -4.120 -16.187 1.00 0.00 C ATOM 682 CG ARG A 43 1.300 -4.414 -17.670 1.00 0.00 C ATOM 683 CD ARG A 43 0.533 -3.429 -18.553 1.00 0.00 C ATOM 684 NE ARG A 43 1.227 -3.265 -19.850 1.00 0.00 N ATOM 685 CZ ARG A 43 0.788 -2.480 -20.843 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.347 -1.784 -20.695 1.00 0.00 N ATOM 687 NH2 ARG A 43 1.484 -2.392 -21.985 1.00 0.00 N ATOM 0 H ARG A 43 1.908 -5.526 -14.322 1.00 0.00 H new ATOM 0 HA ARG A 43 3.201 -3.937 -16.179 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.567 -4.970 -15.719 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.397 -3.264 -16.084 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.366 -4.353 -17.891 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.985 -5.433 -17.897 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.482 -3.790 -18.718 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.451 -2.465 -18.051 1.00 0.00 H new ATOM 0 HE ARG A 43 2.094 -3.782 -19.997 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.877 -1.852 -19.826 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.681 -1.186 -21.451 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.348 -2.923 -22.098 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.150 -1.794 -22.741 1.00 0.00 H new ATOM 701 N GLY A 44 2.151 -2.318 -13.608 1.00 0.00 N ATOM 702 CA GLY A 44 2.102 -1.025 -12.947 1.00 0.00 C ATOM 703 C GLY A 44 0.670 -0.489 -12.899 1.00 0.00 C ATOM 704 O GLY A 44 0.446 0.663 -12.527 1.00 0.00 O ATOM 0 H GLY A 44 2.017 -3.118 -12.990 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.495 -1.115 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.742 -0.318 -13.475 1.00 0.00 H new ATOM 708 N LEU A 45 -0.264 -1.348 -13.280 1.00 0.00 N ATOM 709 CA LEU A 45 -1.668 -0.975 -13.286 1.00 0.00 C ATOM 710 C LEU A 45 -2.226 -1.083 -11.866 1.00 0.00 C ATOM 711 O LEU A 45 -2.229 -2.163 -11.276 1.00 0.00 O ATOM 712 CB LEU A 45 -2.440 -1.806 -14.314 1.00 0.00 C ATOM 713 CG LEU A 45 -3.870 -2.188 -13.930 1.00 0.00 C ATOM 714 CD1 LEU A 45 -4.685 -0.950 -13.548 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.540 -2.995 -15.044 1.00 0.00 C ATOM 0 H LEU A 45 -0.075 -2.302 -13.587 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.784 0.063 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.473 -1.249 -15.251 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.880 -2.721 -14.506 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.828 -2.829 -13.049 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.698 -1.250 -13.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.216 -0.454 -12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.722 -0.264 -14.394 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.556 -3.254 -14.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.571 -2.400 -15.957 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.971 -3.907 -15.225 1.00 0.00 H new ATOM 727 N LYS A 46 -2.682 0.052 -11.355 1.00 0.00 N ATOM 728 CA LYS A 46 -3.241 0.098 -10.015 1.00 0.00 C ATOM 729 C LYS A 46 -4.755 -0.113 -10.090 1.00 0.00 C ATOM 730 O LYS A 46 -5.452 0.613 -10.797 1.00 0.00 O ATOM 731 CB LYS A 46 -2.835 1.394 -9.309 1.00 0.00 C ATOM 732 CG LYS A 46 -1.785 1.125 -8.229 1.00 0.00 C ATOM 733 CD LYS A 46 -0.928 2.366 -7.976 1.00 0.00 C ATOM 734 CE LYS A 46 -1.216 2.959 -6.595 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.513 4.250 -6.429 1.00 0.00 N ATOM 0 H LYS A 46 -2.675 0.946 -11.845 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.836 -0.710 -9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.439 2.101 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.713 1.858 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.278 0.825 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.148 0.295 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.128 2.105 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.127 3.113 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.289 3.104 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.897 2.262 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.719 4.639 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.512 4.102 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.837 4.918 -7.157 1.00 0.00 H new ATOM 749 N VAL A 47 -5.217 -1.111 -9.351 1.00 0.00 N ATOM 750 CA VAL A 47 -6.636 -1.427 -9.325 1.00 0.00 C ATOM 751 C VAL A 47 -7.168 -1.247 -7.903 1.00 0.00 C ATOM 752 O VAL A 47 -6.395 -1.039 -6.969 1.00 0.00 O ATOM 753 CB VAL A 47 -6.869 -2.834 -9.877 1.00 0.00 C ATOM 754 CG1 VAL A 47 -6.958 -3.860 -8.745 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.120 -2.878 -10.757 1.00 0.00 C ATOM 0 H VAL A 47 -4.635 -1.711 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.191 -0.744 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.013 -3.095 -10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.124 -4.852 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.027 -3.857 -8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.786 -3.602 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.262 -3.890 -11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.989 -2.586 -10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.000 -2.190 -11.594 1.00 0.00 H new ATOM 765 N CYS A 48 -8.485 -1.334 -7.782 1.00 0.00 N ATOM 766 CA CYS A 48 -9.129 -1.182 -6.488 1.00 0.00 C ATOM 767 C CYS A 48 -9.990 -2.422 -6.233 1.00 0.00 C ATOM 768 O CYS A 48 -10.582 -2.973 -7.159 1.00 0.00 O ATOM 769 CB CYS A 48 -9.949 0.106 -6.411 1.00 0.00 C ATOM 770 SG CYS A 48 -9.288 1.496 -7.401 1.00 0.00 S ATOM 0 H CYS A 48 -9.123 -1.508 -8.558 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.371 -1.099 -5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.965 -0.107 -6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.012 0.418 -5.369 1.00 0.00 H new ATOM 775 N ALA A 49 -10.030 -2.825 -4.971 1.00 0.00 N ATOM 776 CA ALA A 49 -10.807 -3.989 -4.583 1.00 0.00 C ATOM 777 C ALA A 49 -11.430 -3.745 -3.206 1.00 0.00 C ATOM 778 O ALA A 49 -10.905 -2.965 -2.413 1.00 0.00 O ATOM 779 CB ALA A 49 -9.914 -5.232 -4.607 1.00 0.00 C ATOM 0 H ALA A 49 -9.537 -2.366 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.621 -4.159 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.498 -6.105 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.520 -5.378 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.087 -5.099 -3.909 1.00 0.00 H new ATOM 785 N ASP A 50 -12.540 -4.428 -2.964 1.00 0.00 N ATOM 786 CA ASP A 50 -13.239 -4.294 -1.697 1.00 0.00 C ATOM 787 C ASP A 50 -12.624 -5.255 -0.677 1.00 0.00 C ATOM 788 O ASP A 50 -12.444 -6.438 -0.962 1.00 0.00 O ATOM 789 CB ASP A 50 -14.720 -4.647 -1.846 1.00 0.00 C ATOM 790 CG ASP A 50 -15.653 -3.451 -2.041 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.622 -2.558 -1.167 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.376 -3.456 -3.062 1.00 0.00 O ATOM 0 H ASP A 50 -12.972 -5.075 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.146 -3.259 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.834 -5.320 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.038 -5.196 -0.960 1.00 0.00 H new ATOM 797 N PRO A 51 -12.309 -4.695 0.522 1.00 0.00 N ATOM 798 CA PRO A 51 -11.718 -5.489 1.585 1.00 0.00 C ATOM 799 C PRO A 51 -12.764 -6.391 2.242 1.00 0.00 C ATOM 800 O PRO A 51 -12.455 -7.126 3.180 1.00 0.00 O ATOM 801 CB PRO A 51 -11.120 -4.475 2.548 1.00 0.00 C ATOM 802 CG PRO A 51 -11.798 -3.152 2.232 1.00 0.00 C ATOM 803 CD PRO A 51 -12.506 -3.298 0.895 1.00 0.00 C ATOM 0 HA PRO A 51 -10.952 -6.174 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.297 -4.767 3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.040 -4.402 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.511 -2.892 3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.064 -2.348 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.566 -3.056 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.084 -2.625 0.148 1.00 0.00 H new ATOM 811 N GLN A 52 -13.981 -6.308 1.725 1.00 0.00 N ATOM 812 CA GLN A 52 -15.075 -7.107 2.249 1.00 0.00 C ATOM 813 C GLN A 52 -15.028 -8.520 1.662 1.00 0.00 C ATOM 814 O GLN A 52 -15.781 -9.396 2.085 1.00 0.00 O ATOM 815 CB GLN A 52 -16.424 -6.441 1.970 1.00 0.00 C ATOM 816 CG GLN A 52 -17.449 -6.809 3.045 1.00 0.00 C ATOM 817 CD GLN A 52 -17.791 -5.597 3.913 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.402 -4.637 3.473 1.00 0.00 O ATOM 819 NE2 GLN A 52 -17.362 -5.693 5.169 1.00 0.00 N ATOM 0 H GLN A 52 -14.234 -5.698 0.947 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.961 -7.180 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.299 -5.359 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.791 -6.750 0.991 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.355 -7.191 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.054 -7.609 3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.856 -6.525 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.539 -4.935 5.828 1.00 0.00 H new ATOM 828 N ALA A 53 -14.138 -8.695 0.698 1.00 0.00 N ATOM 829 CA ALA A 53 -13.983 -9.986 0.047 1.00 0.00 C ATOM 830 C ALA A 53 -12.970 -10.826 0.828 1.00 0.00 C ATOM 831 O ALA A 53 -11.858 -10.374 1.095 1.00 0.00 O ATOM 832 CB ALA A 53 -13.569 -9.778 -1.410 1.00 0.00 C ATOM 0 H ALA A 53 -13.516 -7.965 0.351 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.928 -10.529 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.453 -10.746 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.336 -9.201 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.623 -9.238 -1.446 1.00 0.00 H new ATOM 838 N THR A 54 -13.390 -12.035 1.170 1.00 0.00 N ATOM 839 CA THR A 54 -12.534 -12.943 1.913 1.00 0.00 C ATOM 840 C THR A 54 -11.386 -13.437 1.031 1.00 0.00 C ATOM 841 O THR A 54 -10.258 -13.585 1.497 1.00 0.00 O ATOM 842 CB THR A 54 -13.406 -14.073 2.465 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.038 -13.498 3.606 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.579 -15.225 3.037 1.00 0.00 C ATOM 0 H THR A 54 -14.313 -12.407 0.946 1.00 0.00 H new ATOM 0 HA THR A 54 -12.061 -12.438 2.755 1.00 0.00 H new ATOM 0 HB THR A 54 -14.054 -14.450 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.624 -14.162 4.025 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.246 -15.999 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.946 -15.642 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.954 -14.856 3.850 1.00 0.00 H new ATOM 852 N TRP A 55 -11.715 -13.679 -0.230 1.00 0.00 N ATOM 853 CA TRP A 55 -10.725 -14.154 -1.183 1.00 0.00 C ATOM 854 C TRP A 55 -9.619 -13.103 -1.279 1.00 0.00 C ATOM 855 O TRP A 55 -8.454 -13.439 -1.487 1.00 0.00 O ATOM 856 CB TRP A 55 -11.372 -14.466 -2.535 1.00 0.00 C ATOM 857 CG TRP A 55 -11.523 -13.247 -3.448 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.643 -12.578 -3.752 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.468 -12.577 -4.168 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.389 -11.530 -4.612 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.023 -11.529 -4.873 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.089 -12.847 -4.223 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.274 -10.667 -5.683 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.354 -11.977 -5.036 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.898 -10.917 -5.753 1.00 0.00 C ATOM 0 H TRP A 55 -12.652 -13.555 -0.614 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.285 -15.093 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.774 -15.219 -3.048 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.356 -14.903 -2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.622 -12.828 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.076 -10.876 -4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.633 -13.662 -3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.733 -9.853 -6.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.289 -12.140 -5.112 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.263 -10.290 -6.361 1.00 0.00 H new ATOM 876 N VAL A 56 -10.021 -11.849 -1.121 1.00 0.00 N ATOM 877 CA VAL A 56 -9.077 -10.747 -1.187 1.00 0.00 C ATOM 878 C VAL A 56 -8.095 -10.851 -0.019 1.00 0.00 C ATOM 879 O VAL A 56 -6.884 -10.742 -0.209 1.00 0.00 O ATOM 880 CB VAL A 56 -9.830 -9.415 -1.218 1.00 0.00 C ATOM 881 CG1 VAL A 56 -8.865 -8.236 -1.071 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.663 -9.286 -2.494 1.00 0.00 C ATOM 0 H VAL A 56 -10.988 -11.573 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.494 -10.798 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.513 -9.396 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.426 -7.302 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.335 -8.316 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.146 -8.250 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.188 -8.331 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.007 -9.337 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.388 -10.098 -2.539 1.00 0.00 H new ATOM 892 N ARG A 57 -8.652 -11.061 1.165 1.00 0.00 N ATOM 893 CA ARG A 57 -7.840 -11.182 2.365 1.00 0.00 C ATOM 894 C ARG A 57 -6.902 -12.384 2.251 1.00 0.00 C ATOM 895 O ARG A 57 -5.774 -12.345 2.740 1.00 0.00 O ATOM 896 CB ARG A 57 -8.717 -11.342 3.608 1.00 0.00 C ATOM 897 CG ARG A 57 -8.705 -10.068 4.455 1.00 0.00 C ATOM 898 CD ARG A 57 -10.124 -9.667 4.863 1.00 0.00 C ATOM 899 NE ARG A 57 -10.173 -9.387 6.315 1.00 0.00 N ATOM 900 CZ ARG A 57 -11.299 -9.122 6.992 1.00 0.00 C ATOM 901 NH1 ARG A 57 -12.476 -9.099 6.351 1.00 0.00 N ATOM 902 NH2 ARG A 57 -11.248 -8.880 8.309 1.00 0.00 N ATOM 0 H ARG A 57 -9.656 -11.151 1.319 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.254 -10.268 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.739 -11.574 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.360 -12.182 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.097 -10.225 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.242 -9.257 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.437 -8.785 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.822 -10.466 4.615 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.295 -9.396 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.514 -9.283 5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.333 -8.897 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.352 -8.897 8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.105 -8.678 8.824 1.00 0.00 H new ATOM 916 N ASP A 58 -7.402 -13.427 1.604 1.00 0.00 N ATOM 917 CA ASP A 58 -6.622 -14.639 1.420 1.00 0.00 C ATOM 918 C ASP A 58 -5.483 -14.363 0.437 1.00 0.00 C ATOM 919 O ASP A 58 -4.349 -14.780 0.664 1.00 0.00 O ATOM 920 CB ASP A 58 -7.483 -15.764 0.843 1.00 0.00 C ATOM 921 CG ASP A 58 -7.222 -17.149 1.440 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.143 -17.703 1.138 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.106 -17.621 2.187 1.00 0.00 O ATOM 0 H ASP A 58 -8.338 -13.457 1.201 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.235 -14.943 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.533 -15.512 0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.318 -15.812 -0.233 1.00 0.00 H new ATOM 928 N VAL A 59 -5.825 -13.662 -0.633 1.00 0.00 N ATOM 929 CA VAL A 59 -4.844 -13.325 -1.652 1.00 0.00 C ATOM 930 C VAL A 59 -3.765 -12.431 -1.039 1.00 0.00 C ATOM 931 O VAL A 59 -2.592 -12.537 -1.393 1.00 0.00 O ATOM 932 CB VAL A 59 -5.539 -12.686 -2.856 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.819 -11.407 -3.289 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.644 -13.675 -4.018 1.00 0.00 C ATOM 0 H VAL A 59 -6.767 -13.318 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.350 -14.224 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.551 -12.416 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.333 -10.973 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.819 -10.693 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.791 -11.643 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.142 -13.195 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.645 -13.990 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.220 -14.545 -3.704 1.00 0.00 H new ATOM 944 N VAL A 60 -4.201 -11.570 -0.131 1.00 0.00 N ATOM 945 CA VAL A 60 -3.287 -10.657 0.535 1.00 0.00 C ATOM 946 C VAL A 60 -2.187 -11.461 1.229 1.00 0.00 C ATOM 947 O VAL A 60 -1.020 -11.076 1.202 1.00 0.00 O ATOM 948 CB VAL A 60 -4.060 -9.749 1.492 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.113 -9.054 2.472 1.00 0.00 C ATOM 950 CG2 VAL A 60 -4.898 -8.726 0.721 1.00 0.00 C ATOM 0 H VAL A 60 -5.175 -11.485 0.159 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.803 -10.003 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.742 -10.373 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.688 -8.414 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.579 -9.804 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.396 -8.448 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.438 -8.093 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.243 -8.109 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.611 -9.247 0.082 1.00 0.00 H new ATOM 960 N ARG A 61 -2.599 -12.563 1.838 1.00 0.00 N ATOM 961 CA ARG A 61 -1.662 -13.425 2.541 1.00 0.00 C ATOM 962 C ARG A 61 -0.678 -14.056 1.553 1.00 0.00 C ATOM 963 O ARG A 61 0.513 -14.160 1.839 1.00 0.00 O ATOM 964 CB ARG A 61 -2.396 -14.534 3.297 1.00 0.00 C ATOM 965 CG ARG A 61 -1.826 -14.705 4.707 1.00 0.00 C ATOM 966 CD ARG A 61 -0.537 -15.530 4.682 1.00 0.00 C ATOM 967 NE ARG A 61 0.595 -14.714 5.174 1.00 0.00 N ATOM 968 CZ ARG A 61 1.871 -15.126 5.177 1.00 0.00 C ATOM 969 NH1 ARG A 61 2.183 -16.344 4.715 1.00 0.00 N ATOM 970 NH2 ARG A 61 2.834 -14.318 5.642 1.00 0.00 N ATOM 0 H ARG A 61 -3.568 -12.879 1.860 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.118 -12.810 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.458 -14.297 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.309 -15.472 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.627 -13.726 5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.563 -15.194 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.652 -16.419 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.335 -15.873 3.667 1.00 0.00 H new ATOM 0 HE ARG A 61 0.392 -13.781 5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.450 -16.958 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.154 -16.657 4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.596 -13.390 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.805 -14.631 5.645 1.00 0.00 H new ATOM 984 N SER A 62 -1.214 -14.460 0.410 1.00 0.00 N ATOM 985 CA SER A 62 -0.398 -15.078 -0.621 1.00 0.00 C ATOM 986 C SER A 62 0.462 -14.019 -1.313 1.00 0.00 C ATOM 987 O SER A 62 1.596 -14.291 -1.703 1.00 0.00 O ATOM 988 CB SER A 62 -1.267 -15.808 -1.648 1.00 0.00 C ATOM 989 OG SER A 62 -0.650 -17.005 -2.113 1.00 0.00 O ATOM 0 H SER A 62 -2.203 -14.371 0.176 1.00 0.00 H new ATOM 0 HA SER A 62 0.252 -15.813 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.232 -16.047 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.461 -15.148 -2.493 1.00 0.00 H new ATOM 0 HG SER A 62 -1.236 -17.443 -2.765 1.00 0.00 H new ATOM 995 N MET A 63 -0.111 -12.831 -1.444 1.00 0.00 N ATOM 996 CA MET A 63 0.589 -11.729 -2.082 1.00 0.00 C ATOM 997 C MET A 63 1.683 -11.173 -1.169 1.00 0.00 C ATOM 998 O MET A 63 2.821 -10.984 -1.600 1.00 0.00 O ATOM 999 CB MET A 63 -0.407 -10.618 -2.420 1.00 0.00 C ATOM 1000 CG MET A 63 -0.250 -9.432 -1.466 1.00 0.00 C ATOM 1001 SD MET A 63 -1.260 -8.067 -2.016 1.00 0.00 S ATOM 1002 CE MET A 63 -0.837 -8.047 -3.750 1.00 0.00 C ATOM 0 H MET A 63 -1.052 -12.608 -1.119 1.00 0.00 H new ATOM 0 HA MET A 63 1.056 -12.100 -2.994 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.253 -10.286 -3.447 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.424 -11.006 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.540 -9.726 -0.457 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.795 -9.127 -1.421 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.015 -7.052 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.215 -8.305 -3.871 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.452 -8.772 -4.283 1.00 0.00 H new ATOM 1012 N ASP A 64 1.303 -10.925 0.076 1.00 0.00 N ATOM 1013 CA ASP A 64 2.238 -10.395 1.052 1.00 0.00 C ATOM 1014 C ASP A 64 3.469 -11.301 1.119 1.00 0.00 C ATOM 1015 O ASP A 64 4.600 -10.818 1.115 1.00 0.00 O ATOM 1016 CB ASP A 64 1.611 -10.349 2.447 1.00 0.00 C ATOM 1017 CG ASP A 64 2.290 -9.396 3.431 1.00 0.00 C ATOM 1018 OD1 ASP A 64 2.983 -8.477 2.944 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.102 -9.607 4.649 1.00 0.00 O ATOM 0 H ASP A 64 0.360 -11.082 0.431 1.00 0.00 H new ATOM 0 HA ASP A 64 2.509 -9.385 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.564 -10.060 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.626 -11.354 2.869 1.00 0.00 H new ATOM 1024 N ARG A 65 3.208 -12.598 1.176 1.00 0.00 N ATOM 1025 CA ARG A 65 4.281 -13.576 1.242 1.00 0.00 C ATOM 1026 C ARG A 65 5.030 -13.633 -0.091 1.00 0.00 C ATOM 1027 O ARG A 65 6.202 -14.003 -0.132 1.00 0.00 O ATOM 1028 CB ARG A 65 3.738 -14.968 1.573 1.00 0.00 C ATOM 1029 CG ARG A 65 2.867 -15.502 0.435 1.00 0.00 C ATOM 1030 CD ARG A 65 2.522 -16.977 0.654 1.00 0.00 C ATOM 1031 NE ARG A 65 2.972 -17.780 -0.504 1.00 0.00 N ATOM 1032 CZ ARG A 65 4.211 -18.275 -0.639 1.00 0.00 C ATOM 1033 NH1 ARG A 65 5.128 -18.051 0.311 1.00 0.00 N ATOM 1034 NH2 ARG A 65 4.530 -18.993 -1.724 1.00 0.00 N ATOM 0 H ARG A 65 2.269 -12.995 1.178 1.00 0.00 H new ATOM 0 HA ARG A 65 4.963 -13.266 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.567 -15.652 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.155 -14.925 2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.950 -14.916 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.390 -15.384 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.999 -17.339 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.447 -17.091 0.790 1.00 0.00 H new ATOM 0 HE ARG A 65 2.298 -17.969 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.884 -17.504 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.071 -18.427 0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.831 -19.163 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.472 -19.370 -1.827 1.00 0.00 H new ATOM 1048 N LYS A 66 4.323 -13.259 -1.147 1.00 0.00 N ATOM 1049 CA LYS A 66 4.907 -13.263 -2.477 1.00 0.00 C ATOM 1050 C LYS A 66 5.794 -12.027 -2.644 1.00 0.00 C ATOM 1051 O LYS A 66 6.842 -12.092 -3.283 1.00 0.00 O ATOM 1052 CB LYS A 66 3.815 -13.383 -3.542 1.00 0.00 C ATOM 1053 CG LYS A 66 4.084 -12.438 -4.714 1.00 0.00 C ATOM 1054 CD LYS A 66 3.243 -12.822 -5.933 1.00 0.00 C ATOM 1055 CE LYS A 66 4.046 -12.667 -7.225 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.228 -13.979 -7.883 1.00 0.00 N ATOM 0 H LYS A 66 3.351 -12.951 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 66 5.546 -14.136 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.766 -14.410 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.845 -13.153 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.857 -11.414 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.142 -12.468 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.902 -13.853 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.353 -12.195 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.531 -11.983 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.018 -12.226 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.224 -13.853 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.136 -14.392 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.453 -14.615 -7.609 1.00 0.00 H new ATOM 1070 N SER A 67 5.340 -10.928 -2.057 1.00 0.00 N ATOM 1071 CA SER A 67 6.079 -9.680 -2.132 1.00 0.00 C ATOM 1072 C SER A 67 7.035 -9.565 -0.942 1.00 0.00 C ATOM 1073 O SER A 67 7.319 -8.465 -0.475 1.00 0.00 O ATOM 1074 CB SER A 67 5.131 -8.480 -2.168 1.00 0.00 C ATOM 1075 OG SER A 67 3.817 -8.825 -1.738 1.00 0.00 O ATOM 0 H SER A 67 4.470 -10.877 -1.528 1.00 0.00 H new ATOM 0 HA SER A 67 6.657 -9.680 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.525 -7.688 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.088 -8.082 -3.182 1.00 0.00 H new ATOM 0 HG SER A 67 3.465 -9.543 -2.305 1.00 0.00 H new ATOM 1316 N GLN A 83 7.117 -14.910 -39.336 1.00 0.00 N ATOM 1317 CA GLN A 83 6.040 -14.825 -40.308 1.00 0.00 C ATOM 1318 C GLN A 83 6.577 -15.071 -41.719 1.00 0.00 C ATOM 1319 O GLN A 83 7.764 -14.878 -41.979 1.00 0.00 O ATOM 1320 CB GLN A 83 5.329 -13.473 -40.220 1.00 0.00 C ATOM 1321 CG GLN A 83 3.886 -13.578 -40.716 1.00 0.00 C ATOM 1322 CD GLN A 83 2.955 -12.689 -39.891 1.00 0.00 C ATOM 1323 OE1 GLN A 83 3.226 -11.525 -39.642 1.00 0.00 O ATOM 1324 NE2 GLN A 83 1.847 -13.298 -39.482 1.00 0.00 N ATOM 0 HA GLN A 83 5.308 -15.600 -40.079 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.338 -13.120 -39.189 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.868 -12.735 -40.814 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.837 -13.287 -41.765 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.552 -14.614 -40.657 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.682 -14.275 -39.726 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.161 -12.789 -38.924 1.00 0.00 H new ATOM 1333 N SER A 84 5.676 -15.496 -42.594 1.00 0.00 N ATOM 1334 CA SER A 84 6.044 -15.772 -43.972 1.00 0.00 C ATOM 1335 C SER A 84 4.852 -16.365 -44.724 1.00 0.00 C ATOM 1336 O SER A 84 3.852 -16.739 -44.111 1.00 0.00 O ATOM 1337 CB SER A 84 7.242 -16.721 -44.043 1.00 0.00 C ATOM 1338 OG SER A 84 8.421 -16.058 -44.491 1.00 0.00 O ATOM 0 H SER A 84 4.693 -15.656 -42.375 1.00 0.00 H new ATOM 0 HA SER A 84 6.331 -14.832 -44.443 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.421 -17.154 -43.059 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.012 -17.546 -44.717 1.00 0.00 H new ATOM 0 HG SER A 84 8.688 -15.384 -43.831 1.00 0.00 H new ATOM 1344 N THR A 85 4.995 -16.433 -46.039 1.00 0.00 N ATOM 1345 CA THR A 85 3.941 -16.975 -46.880 1.00 0.00 C ATOM 1346 C THR A 85 4.519 -17.986 -47.872 1.00 0.00 C ATOM 1347 O THR A 85 5.736 -18.124 -47.987 1.00 0.00 O ATOM 1348 CB THR A 85 3.225 -15.803 -47.554 1.00 0.00 C ATOM 1349 OG1 THR A 85 2.707 -15.041 -46.467 1.00 0.00 O ATOM 1350 CG2 THR A 85 1.980 -16.245 -48.325 1.00 0.00 C ATOM 0 H THR A 85 5.825 -16.122 -46.543 1.00 0.00 H new ATOM 0 HA THR A 85 3.208 -17.527 -46.291 1.00 0.00 H new ATOM 0 HB THR A 85 3.913 -15.298 -48.232 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.228 -14.260 -46.814 1.00 0.00 H new ATOM 0 HG21 THR A 85 1.509 -15.376 -48.784 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.266 -16.955 -49.101 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.277 -16.719 -47.640 1.00 0.00 H new ATOM 1358 N ASN A 86 3.619 -18.669 -48.564 1.00 0.00 N ATOM 1359 CA ASN A 86 4.023 -19.663 -49.544 1.00 0.00 C ATOM 1360 C ASN A 86 4.173 -18.993 -50.912 1.00 0.00 C ATOM 1361 O ASN A 86 3.605 -17.930 -51.152 1.00 0.00 O ATOM 1362 CB ASN A 86 2.973 -20.768 -49.671 1.00 0.00 C ATOM 1363 CG ASN A 86 1.568 -20.179 -49.804 1.00 0.00 C ATOM 1364 OD1 ASN A 86 1.000 -19.644 -48.867 1.00 0.00 O ATOM 1365 ND2 ASN A 86 1.041 -20.304 -51.019 1.00 0.00 N ATOM 0 H ASN A 86 2.610 -18.553 -48.465 1.00 0.00 H new ATOM 0 HA ASN A 86 4.967 -20.098 -49.215 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.195 -21.387 -50.540 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.017 -21.418 -48.797 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.107 -19.941 -51.210 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.571 -20.763 -51.760 1.00 0.00 H new ATOM 1372 N THR A 87 4.942 -19.646 -51.772 1.00 0.00 N ATOM 1373 CA THR A 87 5.175 -19.127 -53.109 1.00 0.00 C ATOM 1374 C THR A 87 5.054 -20.247 -54.144 1.00 0.00 C ATOM 1375 O THR A 87 5.161 -21.425 -53.805 1.00 0.00 O ATOM 1376 CB THR A 87 6.540 -18.437 -53.118 1.00 0.00 C ATOM 1377 OG1 THR A 87 7.430 -19.421 -52.598 1.00 0.00 O ATOM 1378 CG2 THR A 87 6.623 -17.289 -52.109 1.00 0.00 C ATOM 0 H THR A 87 5.411 -20.529 -51.569 1.00 0.00 H new ATOM 0 HA THR A 87 4.421 -18.390 -53.384 1.00 0.00 H new ATOM 0 HB THR A 87 6.747 -18.057 -54.118 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.340 -19.057 -52.571 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.612 -16.834 -52.156 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.867 -16.540 -52.347 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.449 -17.674 -51.104 1.00 0.00 H new ATOM 1386 N ALA A 88 4.832 -19.841 -55.385 1.00 0.00 N ATOM 1387 CA ALA A 88 4.695 -20.796 -56.473 1.00 0.00 C ATOM 1388 C ALA A 88 4.539 -20.040 -57.793 1.00 0.00 C ATOM 1389 O ALA A 88 3.513 -19.405 -58.032 1.00 0.00 O ATOM 1390 CB ALA A 88 3.513 -21.726 -56.189 1.00 0.00 C ATOM 0 H ALA A 88 4.743 -18.863 -55.662 1.00 0.00 H new ATOM 0 HA ALA A 88 5.587 -21.417 -56.554 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.410 -22.442 -57.004 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.687 -22.261 -55.256 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.599 -21.138 -56.105 1.00 0.00 H new ATOM 1396 N VAL A 89 5.573 -20.132 -58.617 1.00 0.00 N ATOM 1397 CA VAL A 89 5.563 -19.465 -59.908 1.00 0.00 C ATOM 1398 C VAL A 89 6.527 -20.182 -60.854 1.00 0.00 C ATOM 1399 O VAL A 89 7.736 -20.183 -60.630 1.00 0.00 O ATOM 1400 CB VAL A 89 5.890 -17.981 -59.732 1.00 0.00 C ATOM 1401 CG1 VAL A 89 7.349 -17.787 -59.312 1.00 0.00 C ATOM 1402 CG2 VAL A 89 5.577 -17.196 -61.007 1.00 0.00 C ATOM 0 H VAL A 89 6.423 -20.658 -58.415 1.00 0.00 H new ATOM 0 HA VAL A 89 4.571 -19.514 -60.357 1.00 0.00 H new ATOM 0 HB VAL A 89 5.258 -17.591 -58.935 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.555 -16.723 -59.194 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.526 -18.298 -58.366 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.006 -18.201 -60.077 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.818 -16.144 -60.855 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.171 -17.589 -61.832 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.518 -17.295 -61.244 1.00 0.00 H new ATOM 1412 N THR A 90 5.956 -20.774 -61.893 1.00 0.00 N ATOM 1413 CA THR A 90 6.749 -21.493 -62.875 1.00 0.00 C ATOM 1414 C THR A 90 6.158 -21.313 -64.274 1.00 0.00 C ATOM 1415 O THR A 90 4.953 -21.115 -64.421 1.00 0.00 O ATOM 1416 CB THR A 90 6.835 -22.956 -62.435 1.00 0.00 C ATOM 1417 OG1 THR A 90 7.604 -22.913 -61.235 1.00 0.00 O ATOM 1418 CG2 THR A 90 7.679 -23.806 -63.387 1.00 0.00 C ATOM 0 H THR A 90 4.953 -20.770 -62.076 1.00 0.00 H new ATOM 0 HA THR A 90 7.762 -21.096 -62.931 1.00 0.00 H new ATOM 0 HB THR A 90 5.831 -23.374 -62.369 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.707 -23.821 -60.880 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.707 -24.835 -63.028 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.239 -23.781 -64.384 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.693 -23.408 -63.428 1.00 0.00 H new ATOM 1426 N LEU A 91 7.033 -21.388 -65.266 1.00 0.00 N ATOM 1427 CA LEU A 91 6.612 -21.237 -66.648 1.00 0.00 C ATOM 1428 C LEU A 91 6.727 -22.585 -67.363 1.00 0.00 C ATOM 1429 O LEU A 91 7.732 -23.280 -67.227 1.00 0.00 O ATOM 1430 CB LEU A 91 7.397 -20.112 -67.327 1.00 0.00 C ATOM 1431 CG LEU A 91 7.705 -20.311 -68.812 1.00 0.00 C ATOM 1432 CD1 LEU A 91 6.455 -20.090 -69.666 1.00 0.00 C ATOM 1433 CD2 LEU A 91 8.866 -19.419 -69.255 1.00 0.00 C ATOM 0 H LEU A 91 8.032 -21.551 -65.140 1.00 0.00 H new ATOM 0 HA LEU A 91 5.565 -20.939 -66.696 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.836 -19.185 -67.214 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.339 -19.981 -66.795 1.00 0.00 H new ATOM 0 HG LEU A 91 8.018 -21.345 -68.960 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.702 -20.238 -70.717 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.683 -20.801 -69.371 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.089 -19.074 -69.519 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.065 -19.580 -70.315 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.605 -18.374 -69.089 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.756 -19.667 -68.677 1.00 0.00 H new ATOM 1445 N THR A 92 5.683 -22.914 -68.109 1.00 0.00 N ATOM 1446 CA THR A 92 5.654 -24.166 -68.846 1.00 0.00 C ATOM 1447 C THR A 92 6.238 -23.974 -70.247 1.00 0.00 C ATOM 1448 O THR A 92 6.145 -22.890 -70.819 1.00 0.00 O ATOM 1449 CB THR A 92 4.212 -24.678 -68.853 1.00 0.00 C ATOM 1450 OG1 THR A 92 4.213 -25.706 -69.839 1.00 0.00 O ATOM 1451 CG2 THR A 92 3.226 -23.640 -69.397 1.00 0.00 C ATOM 0 H THR A 92 4.850 -22.335 -68.219 1.00 0.00 H new ATOM 0 HA THR A 92 6.279 -24.920 -68.368 1.00 0.00 H new ATOM 0 HB THR A 92 3.922 -24.960 -67.841 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.316 -26.094 -69.908 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.217 -24.053 -69.381 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.262 -22.744 -68.777 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.496 -23.383 -70.421 1.00 0.00 H new