USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 474 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.196 USER MOD Single : A 18 MET CE :methyl -179:sc= 0 (180deg=-0.001) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.951 F(o=-2.3!,f=-0.95) USER MOD Single : A 34 SER OG : rot -55:sc= 1.25 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 166:sc= -0.0109 (180deg=-0.0468) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -67:sc= 0.42 USER MOD Single : A 66 SER OG : rot 83:sc= 0.727 USER MOD Single : A 74 THR OG1 : rot 30:sc= 0.826 USER MOD Single : A 76 GLN : amide:sc= -0.71 X(o=-0.71,f=-1.1) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 0.821 10.229 -2.641 1.00 23.50 N ATOM 164 CA ARG A 13 0.893 9.057 -3.520 1.00 32.54 C ATOM 165 C ARG A 13 1.118 7.784 -2.710 1.00 15.31 C ATOM 166 O ARG A 13 2.177 7.180 -2.831 1.00 51.15 O ATOM 167 CB ARG A 13 1.974 9.249 -4.600 1.00 24.13 C ATOM 168 CG ARG A 13 1.645 10.318 -5.645 1.00 43.11 C ATOM 169 CD ARG A 13 2.853 10.443 -6.585 1.00 24.54 C ATOM 170 NE ARG A 13 2.730 11.520 -7.590 1.00 13.24 N ATOM 171 CZ ARG A 13 3.325 12.720 -7.562 1.00 23.52 C ATOM 172 NH1 ARG A 13 4.147 13.046 -6.576 1.00 60.34 N ATOM 173 NH2 ARG A 13 3.111 13.594 -8.544 1.00 3.30 N ATOM 0 HA ARG A 13 -0.063 8.950 -4.032 1.00 32.54 H new ATOM 0 HB2 ARG A 13 2.913 9.512 -4.113 1.00 24.13 H new ATOM 0 HB3 ARG A 13 2.134 8.299 -5.109 1.00 24.13 H new ATOM 0 HG2 ARG A 13 0.752 10.042 -6.205 1.00 43.11 H new ATOM 0 HG3 ARG A 13 1.436 11.273 -5.162 1.00 43.11 H new ATOM 0 HD2 ARG A 13 3.747 10.619 -5.987 1.00 24.54 H new ATOM 0 HD3 ARG A 13 2.997 9.494 -7.102 1.00 24.54 H new ATOM 0 HE ARG A 13 2.128 11.329 -8.391 1.00 13.24 H new ATOM 0 HH11 ARG A 13 4.333 12.380 -5.826 1.00 60.34 H new ATOM 0 HH12 ARG A 13 4.594 13.963 -6.566 1.00 60.34 H new ATOM 0 HH21 ARG A 13 2.494 13.350 -9.318 1.00 3.30 H new ATOM 0 HH22 ARG A 13 3.565 14.507 -8.522 1.00 3.30 H new ATOM 184 N THR A 14 0.176 7.374 -1.866 1.00 22.52 N ATOM 185 CA THR A 14 0.423 6.231 -0.976 1.00 44.22 C ATOM 186 C THR A 14 -0.761 5.257 -0.940 1.00 3.03 C ATOM 187 O THR A 14 -1.902 5.696 -1.073 1.00 72.43 O ATOM 188 CB THR A 14 0.794 6.736 0.436 1.00 54.45 C ATOM 189 OG1 THR A 14 1.066 8.128 0.518 1.00 71.22 O ATOM 190 CG2 THR A 14 2.003 5.990 0.998 1.00 13.12 C ATOM 0 H THR A 14 -0.746 7.800 -1.775 1.00 22.52 H new ATOM 0 HA THR A 14 1.265 5.666 -1.375 1.00 44.22 H new ATOM 0 HB THR A 14 -0.101 6.538 1.025 1.00 54.45 H new ATOM 0 HG1 THR A 14 1.290 8.364 1.443 1.00 71.22 H new ATOM 0 HG21 THR A 14 2.236 6.371 1.992 1.00 13.12 H new ATOM 0 HG22 THR A 14 1.777 4.926 1.061 1.00 13.12 H new ATOM 0 HG23 THR A 14 2.860 6.140 0.342 1.00 13.12 H new ATOM 198 N VAL A 15 -0.526 3.955 -0.689 1.00 43.24 N ATOM 199 CA VAL A 15 -1.544 2.927 -0.412 1.00 12.31 C ATOM 200 C VAL A 15 -1.102 2.025 0.748 1.00 53.15 C ATOM 201 O VAL A 15 -0.026 1.422 0.711 1.00 10.32 O ATOM 202 CB VAL A 15 -1.973 2.105 -1.662 1.00 62.42 C ATOM 203 CG1 VAL A 15 -2.734 3.011 -2.630 1.00 33.22 C ATOM 204 CG2 VAL A 15 -0.877 1.330 -2.420 1.00 2.42 C ATOM 0 H VAL A 15 0.421 3.576 -0.673 1.00 43.24 H new ATOM 0 HA VAL A 15 -2.445 3.462 -0.111 1.00 12.31 H new ATOM 0 HB VAL A 15 -2.599 1.313 -1.250 1.00 62.42 H new ATOM 0 HG11 VAL A 15 -3.035 2.436 -3.506 1.00 33.22 H new ATOM 0 HG12 VAL A 15 -3.620 3.409 -2.135 1.00 33.22 H new ATOM 0 HG13 VAL A 15 -2.090 3.834 -2.940 1.00 33.22 H new ATOM 0 HG21 VAL A 15 -1.321 0.805 -3.266 1.00 2.42 H new ATOM 0 HG22 VAL A 15 -0.122 2.028 -2.782 1.00 2.42 H new ATOM 0 HG23 VAL A 15 -0.412 0.608 -1.749 1.00 2.42 H new ATOM 214 N PHE A 16 -1.927 1.951 1.797 1.00 23.02 N ATOM 215 CA PHE A 16 -1.814 1.000 2.885 1.00 63.43 C ATOM 216 C PHE A 16 -2.225 -0.377 2.403 1.00 21.31 C ATOM 217 O PHE A 16 -3.323 -0.542 1.859 1.00 11.50 O ATOM 218 CB PHE A 16 -2.675 1.441 4.088 1.00 61.21 C ATOM 219 CG PHE A 16 -2.330 0.712 5.375 1.00 41.12 C ATOM 220 CD1 PHE A 16 -2.823 -0.586 5.588 1.00 45.30 C ATOM 221 CD2 PHE A 16 -1.468 1.287 6.334 1.00 73.01 C ATOM 222 CE1 PHE A 16 -2.391 -1.325 6.697 1.00 45.24 C ATOM 223 CE2 PHE A 16 -1.031 0.537 7.442 1.00 73.51 C ATOM 224 CZ PHE A 16 -1.478 -0.785 7.607 1.00 3.45 C ATOM 0 H PHE A 16 -2.721 2.582 1.907 1.00 23.02 H new ATOM 0 HA PHE A 16 -0.776 0.962 3.216 1.00 63.43 H new ATOM 0 HB2 PHE A 16 -2.550 2.513 4.241 1.00 61.21 H new ATOM 0 HB3 PHE A 16 -3.726 1.273 3.854 1.00 61.21 H new ATOM 0 HD1 PHE A 16 -3.535 -1.014 4.897 1.00 45.30 H new ATOM 0 HD2 PHE A 16 -1.142 2.310 6.217 1.00 73.01 H new ATOM 0 HE1 PHE A 16 -2.768 -2.325 6.851 1.00 45.24 H new ATOM 0 HE2 PHE A 16 -0.356 0.975 8.162 1.00 73.51 H new ATOM 0 HZ PHE A 16 -1.118 -1.381 8.433 1.00 3.45 H new ATOM 233 N CYS A 17 -1.374 -1.362 2.672 1.00 41.40 N ATOM 234 CA CYS A 17 -1.606 -2.769 2.398 1.00 54.34 C ATOM 235 C CYS A 17 -1.489 -3.507 3.727 1.00 62.44 C ATOM 236 O CYS A 17 -0.391 -3.606 4.272 1.00 64.52 O ATOM 237 CB CYS A 17 -0.601 -3.298 1.374 1.00 14.04 C ATOM 238 SG CYS A 17 -0.471 -2.211 -0.078 1.00 41.43 S ATOM 0 H CYS A 17 -0.467 -1.190 3.105 1.00 41.40 H new ATOM 0 HA CYS A 17 -2.595 -2.923 1.966 1.00 54.34 H new ATOM 0 HB2 CYS A 17 0.378 -3.394 1.843 1.00 14.04 H new ATOM 0 HB3 CYS A 17 -0.901 -4.296 1.054 1.00 14.04 H new ATOM 0 HG CYS A 17 0.395 -2.704 -0.913 1.00 41.43 H new ATOM 243 N MET A 18 -2.617 -3.920 4.299 1.00 72.43 N ATOM 244 CA MET A 18 -2.660 -4.794 5.460 1.00 32.25 C ATOM 245 C MET A 18 -2.643 -6.257 4.990 1.00 70.31 C ATOM 246 O MET A 18 -2.842 -6.538 3.807 1.00 30.03 O ATOM 247 CB MET A 18 -3.964 -4.564 6.252 1.00 32.31 C ATOM 248 CG MET A 18 -3.796 -4.819 7.759 1.00 72.32 C ATOM 249 SD MET A 18 -5.330 -5.183 8.648 1.00 34.33 S ATOM 250 CE MET A 18 -6.203 -3.612 8.424 1.00 70.02 C ATOM 0 H MET A 18 -3.541 -3.650 3.960 1.00 72.43 H new ATOM 0 HA MET A 18 -1.799 -4.578 6.093 1.00 32.25 H new ATOM 0 HB2 MET A 18 -4.303 -3.540 6.097 1.00 32.31 H new ATOM 0 HB3 MET A 18 -4.742 -5.220 5.861 1.00 32.31 H new ATOM 0 HG2 MET A 18 -3.107 -5.653 7.897 1.00 72.32 H new ATOM 0 HG3 MET A 18 -3.331 -3.943 8.211 1.00 72.32 H new ATOM 0 HE1 MET A 18 -7.168 -3.657 8.929 1.00 70.02 H new ATOM 0 HE2 MET A 18 -5.609 -2.802 8.847 1.00 70.02 H new ATOM 0 HE3 MET A 18 -6.358 -3.430 7.360 1.00 70.02 H new ATOM 258 N GLN A 19 -2.565 -7.180 5.952 1.00 61.30 N ATOM 259 CA GLN A 19 -2.842 -8.607 5.836 1.00 5.51 C ATOM 260 C GLN A 19 -1.792 -9.361 5.009 1.00 4.25 C ATOM 261 O GLN A 19 -2.064 -10.450 4.491 1.00 4.25 O ATOM 262 CB GLN A 19 -4.293 -8.854 5.366 1.00 73.44 C ATOM 263 CG GLN A 19 -4.856 -10.113 6.048 1.00 71.23 C ATOM 264 CD GLN A 19 -5.950 -10.812 5.254 1.00 73.34 C ATOM 265 OE1 GLN A 19 -6.948 -10.106 4.740 1.00 23.21 O flip ATOM 266 NE2 GLN A 19 -5.925 -12.028 5.114 1.00 21.22 N flip ATOM 0 H GLN A 19 -2.286 -6.927 6.900 1.00 61.30 H new ATOM 0 HA GLN A 19 -2.757 -9.035 6.835 1.00 5.51 H new ATOM 0 HB2 GLN A 19 -4.914 -7.991 5.606 1.00 73.44 H new ATOM 0 HB3 GLN A 19 -4.318 -8.974 4.283 1.00 73.44 H new ATOM 0 HG2 GLN A 19 -4.041 -10.816 6.220 1.00 71.23 H new ATOM 0 HG3 GLN A 19 -5.251 -9.838 7.026 1.00 71.23 H new ATOM 0 HE21 GLN A 19 -5.157 -12.571 5.509 1.00 21.22 H new ATOM 0 HE22 GLN A 19 -6.672 -12.498 4.602 1.00 21.22 H new ATOM 273 N LEU A 20 -0.600 -8.778 4.881 1.00 12.04 N ATOM 274 CA LEU A 20 0.454 -9.304 4.028 1.00 4.15 C ATOM 275 C LEU A 20 1.025 -10.614 4.574 1.00 11.41 C ATOM 276 O LEU A 20 0.805 -10.964 5.736 1.00 43.03 O ATOM 277 CB LEU A 20 1.566 -8.260 3.842 1.00 21.41 C ATOM 278 CG LEU A 20 1.065 -6.904 3.314 1.00 42.02 C ATOM 279 CD1 LEU A 20 2.260 -5.956 3.202 1.00 65.20 C ATOM 280 CD2 LEU A 20 0.348 -7.067 1.968 1.00 3.05 C ATOM 0 H LEU A 20 -0.342 -7.922 5.372 1.00 12.04 H new ATOM 0 HA LEU A 20 0.014 -9.523 3.055 1.00 4.15 H new ATOM 0 HB2 LEU A 20 2.068 -8.104 4.797 1.00 21.41 H new ATOM 0 HB3 LEU A 20 2.311 -8.655 3.151 1.00 21.41 H new ATOM 0 HG LEU A 20 0.336 -6.485 4.007 1.00 42.02 H new ATOM 0 HD11 LEU A 20 1.923 -4.989 2.829 1.00 65.20 H new ATOM 0 HD12 LEU A 20 2.716 -5.828 4.184 1.00 65.20 H new ATOM 0 HD13 LEU A 20 2.994 -6.375 2.513 1.00 65.20 H new ATOM 0 HD21 LEU A 20 0.005 -6.093 1.618 1.00 3.05 H new ATOM 0 HD22 LEU A 20 1.037 -7.492 1.238 1.00 3.05 H new ATOM 0 HD23 LEU A 20 -0.508 -7.731 2.090 1.00 3.05 H new ATOM 291 N ALA A 21 1.800 -11.310 3.735 1.00 30.42 N ATOM 292 CA ALA A 21 2.495 -12.526 4.123 1.00 11.43 C ATOM 293 C ALA A 21 3.497 -12.232 5.234 1.00 44.22 C ATOM 294 O ALA A 21 4.184 -11.206 5.210 1.00 41.34 O ATOM 295 CB ALA A 21 3.232 -13.140 2.925 1.00 64.14 C ATOM 0 H ALA A 21 1.959 -11.038 2.765 1.00 30.42 H new ATOM 0 HA ALA A 21 1.751 -13.237 4.483 1.00 11.43 H new ATOM 0 HB1 ALA A 21 3.745 -14.049 3.240 1.00 64.14 H new ATOM 0 HB2 ALA A 21 2.514 -13.381 2.141 1.00 64.14 H new ATOM 0 HB3 ALA A 21 3.961 -12.426 2.542 1.00 64.14 H new ATOM 301 N ALA A 22 3.693 -13.219 6.107 1.00 34.31 N ATOM 302 CA ALA A 22 4.702 -13.224 7.164 1.00 14.21 C ATOM 303 C ALA A 22 6.149 -13.179 6.638 1.00 21.13 C ATOM 304 O ALA A 22 7.082 -13.165 7.446 1.00 51.24 O ATOM 305 CB ALA A 22 4.505 -14.481 8.019 1.00 3.43 C ATOM 0 H ALA A 22 3.131 -14.070 6.097 1.00 34.31 H new ATOM 0 HA ALA A 22 4.563 -12.315 7.749 1.00 14.21 H new ATOM 0 HB1 ALA A 22 5.251 -14.501 8.814 1.00 3.43 H new ATOM 0 HB2 ALA A 22 3.507 -14.470 8.458 1.00 3.43 H new ATOM 0 HB3 ALA A 22 4.617 -15.367 7.394 1.00 3.43 H new ATOM 311 N ARG A 23 6.356 -13.228 5.315 1.00 11.22 N ATOM 312 CA ARG A 23 7.659 -13.299 4.656 1.00 55.04 C ATOM 313 C ARG A 23 7.723 -12.415 3.407 1.00 73.10 C ATOM 314 O ARG A 23 8.626 -12.615 2.596 1.00 64.52 O ATOM 315 CB ARG A 23 7.970 -14.772 4.315 1.00 44.22 C ATOM 316 CG ARG A 23 9.466 -15.134 4.378 1.00 4.45 C ATOM 317 CD ARG A 23 9.967 -15.093 5.827 1.00 41.30 C ATOM 318 NE ARG A 23 11.059 -16.044 6.076 1.00 33.41 N ATOM 319 CZ ARG A 23 11.634 -16.288 7.258 1.00 43.02 C ATOM 320 NH1 ARG A 23 11.261 -15.664 8.367 1.00 1.41 N ATOM 321 NH2 ARG A 23 12.627 -17.158 7.334 1.00 4.33 N ATOM 0 H ARG A 23 5.583 -13.219 4.649 1.00 11.22 H new ATOM 0 HA ARG A 23 8.416 -12.915 5.340 1.00 55.04 H new ATOM 0 HB2 ARG A 23 7.423 -15.416 5.004 1.00 44.22 H new ATOM 0 HB3 ARG A 23 7.598 -14.988 3.313 1.00 44.22 H new ATOM 0 HG2 ARG A 23 9.624 -16.128 3.960 1.00 4.45 H new ATOM 0 HG3 ARG A 23 10.041 -14.437 3.768 1.00 4.45 H new ATOM 0 HD2 ARG A 23 10.308 -14.085 6.061 1.00 41.30 H new ATOM 0 HD3 ARG A 23 9.138 -15.313 6.500 1.00 41.30 H new ATOM 0 HE ARG A 23 11.411 -16.566 5.273 1.00 33.41 H new ATOM 0 HH11 ARG A 23 10.512 -14.972 8.336 1.00 1.41 H new ATOM 0 HH12 ARG A 23 11.723 -15.876 9.251 1.00 1.41 H new ATOM 0 HH21 ARG A 23 12.950 -17.638 6.494 1.00 4.33 H new ATOM 0 HH22 ARG A 23 13.070 -17.349 8.233 1.00 4.33 H new ATOM 332 N ILE A 24 6.762 -11.503 3.208 1.00 40.14 N ATOM 333 CA ILE A 24 6.561 -10.797 1.943 1.00 0.15 C ATOM 334 C ILE A 24 7.872 -10.232 1.377 1.00 3.14 C ATOM 335 O ILE A 24 8.653 -9.589 2.092 1.00 71.54 O ATOM 336 CB ILE A 24 5.415 -9.774 2.069 1.00 15.02 C ATOM 337 CG1 ILE A 24 5.102 -9.213 0.672 1.00 14.11 C ATOM 338 CG2 ILE A 24 5.704 -8.640 3.062 1.00 34.25 C ATOM 339 CD1 ILE A 24 3.660 -8.756 0.503 1.00 52.10 C ATOM 0 H ILE A 24 6.096 -11.234 3.932 1.00 40.14 H new ATOM 0 HA ILE A 24 6.238 -11.514 1.188 1.00 0.15 H new ATOM 0 HB ILE A 24 4.550 -10.297 2.477 1.00 15.02 H new ATOM 0 HG12 ILE A 24 5.766 -8.372 0.471 1.00 14.11 H new ATOM 0 HG13 ILE A 24 5.321 -9.977 -0.074 1.00 14.11 H new ATOM 0 HG21 ILE A 24 4.852 -7.960 3.096 1.00 34.25 H new ATOM 0 HG22 ILE A 24 5.874 -9.059 4.054 1.00 34.25 H new ATOM 0 HG23 ILE A 24 6.591 -8.094 2.742 1.00 34.25 H new ATOM 0 HD11 ILE A 24 3.516 -8.373 -0.507 1.00 52.10 H new ATOM 0 HD12 ILE A 24 2.989 -9.599 0.671 1.00 52.10 H new ATOM 0 HD13 ILE A 24 3.441 -7.969 1.224 1.00 52.10 H new ATOM 350 N ARG A 25 8.116 -10.488 0.084 1.00 32.13 N ATOM 351 CA ARG A 25 9.309 -9.982 -0.576 1.00 41.01 C ATOM 352 C ARG A 25 9.188 -8.468 -0.644 1.00 55.30 C ATOM 353 O ARG A 25 8.100 -7.963 -0.905 1.00 24.54 O ATOM 354 CB ARG A 25 9.487 -10.526 -2.004 1.00 43.41 C ATOM 355 CG ARG A 25 10.389 -11.761 -2.129 1.00 34.33 C ATOM 356 CD ARG A 25 10.727 -12.031 -3.604 1.00 64.55 C ATOM 357 NE ARG A 25 11.808 -13.021 -3.743 1.00 64.23 N ATOM 358 CZ ARG A 25 12.662 -13.113 -4.771 1.00 71.43 C ATOM 359 NH1 ARG A 25 12.562 -12.292 -5.815 1.00 43.41 N ATOM 360 NH2 ARG A 25 13.634 -14.018 -4.735 1.00 2.44 N ATOM 0 H ARG A 25 7.502 -11.040 -0.515 1.00 32.13 H new ATOM 0 HA ARG A 25 10.176 -10.308 -0.002 1.00 41.01 H new ATOM 0 HB2 ARG A 25 8.504 -10.772 -2.406 1.00 43.41 H new ATOM 0 HB3 ARG A 25 9.897 -9.732 -2.629 1.00 43.41 H new ATOM 0 HG2 ARG A 25 11.307 -11.608 -1.561 1.00 34.33 H new ATOM 0 HG3 ARG A 25 9.889 -12.629 -1.699 1.00 34.33 H new ATOM 0 HD2 ARG A 25 9.837 -12.389 -4.122 1.00 64.55 H new ATOM 0 HD3 ARG A 25 11.023 -11.099 -4.086 1.00 64.55 H new ATOM 0 HE ARG A 25 11.916 -13.698 -2.988 1.00 64.23 H new ATOM 0 HH11 ARG A 25 11.829 -11.583 -5.838 1.00 43.41 H new ATOM 0 HH12 ARG A 25 13.218 -12.372 -6.592 1.00 43.41 H new ATOM 0 HH21 ARG A 25 13.726 -14.636 -3.929 1.00 2.44 H new ATOM 0 HH22 ARG A 25 14.288 -14.095 -5.514 1.00 2.44 H new ATOM 371 N PRO A 26 10.307 -7.742 -0.574 1.00 35.13 N ATOM 372 CA PRO A 26 10.339 -6.308 -0.812 1.00 55.04 C ATOM 373 C PRO A 26 10.113 -5.930 -2.282 1.00 11.44 C ATOM 374 O PRO A 26 10.117 -4.743 -2.600 1.00 13.32 O ATOM 375 CB PRO A 26 11.707 -5.859 -0.302 1.00 35.13 C ATOM 376 CG PRO A 26 12.577 -7.096 -0.496 1.00 41.04 C ATOM 377 CD PRO A 26 11.628 -8.253 -0.252 1.00 11.03 C ATOM 0 HA PRO A 26 9.522 -5.806 -0.294 1.00 55.04 H new ATOM 0 HB2 PRO A 26 12.087 -5.007 -0.866 1.00 35.13 H new ATOM 0 HB3 PRO A 26 11.667 -5.556 0.744 1.00 35.13 H new ATOM 0 HG2 PRO A 26 13.001 -7.132 -1.499 1.00 41.04 H new ATOM 0 HG3 PRO A 26 13.412 -7.110 0.204 1.00 41.04 H new ATOM 0 HD2 PRO A 26 11.882 -9.108 -0.878 1.00 11.03 H new ATOM 0 HD3 PRO A 26 11.677 -8.590 0.783 1.00 11.03 H new ATOM 382 N ARG A 27 9.878 -6.888 -3.187 1.00 44.14 N ATOM 383 CA ARG A 27 9.394 -6.625 -4.542 1.00 11.31 C ATOM 384 C ARG A 27 7.900 -6.922 -4.713 1.00 72.35 C ATOM 385 O ARG A 27 7.298 -6.378 -5.632 1.00 64.51 O ATOM 386 CB ARG A 27 10.216 -7.414 -5.583 1.00 32.53 C ATOM 387 CG ARG A 27 10.822 -6.511 -6.666 1.00 54.33 C ATOM 388 CD ARG A 27 11.954 -5.643 -6.105 1.00 64.21 C ATOM 389 NE ARG A 27 12.709 -4.999 -7.190 1.00 15.11 N ATOM 390 CZ ARG A 27 13.999 -4.654 -7.150 1.00 62.51 C ATOM 391 NH1 ARG A 27 14.664 -4.667 -5.998 1.00 12.21 N ATOM 392 NH2 ARG A 27 14.625 -4.328 -8.273 1.00 62.33 N ATOM 0 H ARG A 27 10.021 -7.879 -2.993 1.00 44.14 H new ATOM 0 HA ARG A 27 9.528 -5.557 -4.711 1.00 11.31 H new ATOM 0 HB2 ARG A 27 11.016 -7.953 -5.076 1.00 32.53 H new ATOM 0 HB3 ARG A 27 9.577 -8.161 -6.054 1.00 32.53 H new ATOM 0 HG2 ARG A 27 11.203 -7.125 -7.482 1.00 54.33 H new ATOM 0 HG3 ARG A 27 10.045 -5.871 -7.085 1.00 54.33 H new ATOM 0 HD2 ARG A 27 11.540 -4.882 -5.443 1.00 64.21 H new ATOM 0 HD3 ARG A 27 12.625 -6.257 -5.504 1.00 64.21 H new ATOM 0 HE ARG A 27 12.202 -4.797 -8.052 1.00 15.11 H new ATOM 0 HH11 ARG A 27 14.189 -4.942 -5.138 1.00 12.21 H new ATOM 0 HH12 ARG A 27 15.649 -4.402 -5.975 1.00 12.21 H new ATOM 0 HH21 ARG A 27 14.122 -4.342 -9.160 1.00 62.33 H new ATOM 0 HH22 ARG A 27 15.610 -4.064 -8.250 1.00 62.33 H new ATOM 403 N ASP A 28 7.288 -7.758 -3.869 1.00 52.12 N ATOM 404 CA ASP A 28 5.963 -8.334 -4.148 1.00 31.53 C ATOM 405 C ASP A 28 4.877 -7.264 -4.221 1.00 34.51 C ATOM 406 O ASP A 28 3.866 -7.433 -4.906 1.00 35.51 O ATOM 407 CB ASP A 28 5.563 -9.348 -3.056 1.00 15.34 C ATOM 408 CG ASP A 28 5.718 -10.799 -3.500 1.00 33.52 C ATOM 409 OD1 ASP A 28 6.766 -11.163 -4.069 1.00 12.24 O ATOM 410 OD2 ASP A 28 4.813 -11.616 -3.208 1.00 34.14 O ATOM 0 H ASP A 28 7.690 -8.054 -2.980 1.00 52.12 H new ATOM 0 HA ASP A 28 6.043 -8.830 -5.115 1.00 31.53 H new ATOM 0 HB2 ASP A 28 6.174 -9.178 -2.170 1.00 15.34 H new ATOM 0 HB3 ASP A 28 4.527 -9.172 -2.767 1.00 15.34 H new ATOM 414 N LEU A 29 5.050 -6.177 -3.469 1.00 42.02 N ATOM 415 CA LEU A 29 4.062 -5.102 -3.384 1.00 42.24 C ATOM 416 C LEU A 29 4.227 -4.101 -4.525 1.00 72.44 C ATOM 417 O LEU A 29 3.269 -3.407 -4.859 1.00 63.52 O ATOM 418 CB LEU A 29 4.177 -4.367 -2.039 1.00 14.22 C ATOM 419 CG LEU A 29 3.982 -5.288 -0.822 1.00 53.14 C ATOM 420 CD1 LEU A 29 4.555 -4.644 0.442 1.00 51.12 C ATOM 421 CD2 LEU A 29 2.499 -5.612 -0.638 1.00 4.04 C ATOM 0 H LEU A 29 5.881 -6.017 -2.900 1.00 42.02 H new ATOM 0 HA LEU A 29 3.076 -5.560 -3.464 1.00 42.24 H new ATOM 0 HB2 LEU A 29 5.157 -3.894 -1.974 1.00 14.22 H new ATOM 0 HB3 LEU A 29 3.435 -3.569 -2.004 1.00 14.22 H new ATOM 0 HG LEU A 29 4.522 -6.218 -1.001 1.00 53.14 H new ATOM 0 HD11 LEU A 29 4.406 -5.312 1.290 1.00 51.12 H new ATOM 0 HD12 LEU A 29 5.621 -4.462 0.306 1.00 51.12 H new ATOM 0 HD13 LEU A 29 4.046 -3.699 0.631 1.00 51.12 H new ATOM 0 HD21 LEU A 29 2.374 -6.264 0.226 1.00 4.04 H new ATOM 0 HD22 LEU A 29 1.942 -4.689 -0.480 1.00 4.04 H new ATOM 0 HD23 LEU A 29 2.123 -6.114 -1.529 1.00 4.04 H new ATOM 432 N GLU A 30 5.423 -3.996 -5.114 1.00 2.04 N ATOM 433 CA GLU A 30 5.644 -3.106 -6.240 1.00 53.35 C ATOM 434 C GLU A 30 5.122 -3.862 -7.461 1.00 4.14 C ATOM 435 O GLU A 30 4.294 -3.361 -8.224 1.00 71.14 O ATOM 436 CB GLU A 30 7.141 -2.772 -6.449 1.00 51.05 C ATOM 437 CG GLU A 30 8.042 -2.935 -5.225 1.00 11.44 C ATOM 438 CD GLU A 30 9.438 -2.332 -5.392 1.00 20.40 C ATOM 439 OE1 GLU A 30 10.263 -2.881 -6.153 1.00 44.24 O ATOM 440 OE2 GLU A 30 9.724 -1.306 -4.730 1.00 31.31 O ATOM 0 H GLU A 30 6.248 -4.520 -4.823 1.00 2.04 H new ATOM 0 HA GLU A 30 5.139 -2.155 -6.071 1.00 53.35 H new ATOM 0 HB2 GLU A 30 7.527 -3.407 -7.246 1.00 51.05 H new ATOM 0 HB3 GLU A 30 7.218 -1.742 -6.797 1.00 51.05 H new ATOM 0 HG2 GLU A 30 7.558 -2.470 -4.366 1.00 11.44 H new ATOM 0 HG3 GLU A 30 8.141 -3.997 -4.999 1.00 11.44 H new ATOM 445 N GLU A 31 5.606 -5.099 -7.609 1.00 74.23 N ATOM 446 CA GLU A 31 5.399 -5.963 -8.759 1.00 33.40 C ATOM 447 C GLU A 31 3.911 -6.239 -8.965 1.00 22.50 C ATOM 448 O GLU A 31 3.457 -6.243 -10.111 1.00 53.45 O ATOM 449 CB GLU A 31 6.188 -7.276 -8.579 1.00 72.25 C ATOM 450 CG GLU A 31 7.705 -7.099 -8.777 1.00 35.53 C ATOM 451 CD GLU A 31 8.101 -7.079 -10.257 1.00 44.41 C ATOM 452 OE1 GLU A 31 7.605 -6.222 -11.028 1.00 61.24 O ATOM 453 OE2 GLU A 31 8.894 -7.951 -10.690 1.00 71.43 O ATOM 0 H GLU A 31 6.180 -5.540 -6.891 1.00 74.23 H new ATOM 0 HA GLU A 31 5.769 -5.458 -9.651 1.00 33.40 H new ATOM 0 HB2 GLU A 31 6.001 -7.672 -7.581 1.00 72.25 H new ATOM 0 HB3 GLU A 31 5.818 -8.016 -9.289 1.00 72.25 H new ATOM 0 HG2 GLU A 31 8.025 -6.170 -8.305 1.00 35.53 H new ATOM 0 HG3 GLU A 31 8.232 -7.910 -8.273 1.00 35.53 H new ATOM 458 N PHE A 32 3.128 -6.427 -7.898 1.00 54.04 N ATOM 459 CA PHE A 32 1.689 -6.656 -8.006 1.00 32.22 C ATOM 460 C PHE A 32 0.979 -5.509 -8.732 1.00 43.13 C ATOM 461 O PHE A 32 0.217 -5.753 -9.674 1.00 51.15 O ATOM 462 CB PHE A 32 1.106 -6.902 -6.609 1.00 43.05 C ATOM 463 CG PHE A 32 -0.374 -7.224 -6.600 1.00 3.31 C ATOM 464 CD1 PHE A 32 -0.896 -8.133 -7.539 1.00 73.32 C ATOM 465 CD2 PHE A 32 -1.234 -6.640 -5.649 1.00 41.33 C ATOM 466 CE1 PHE A 32 -2.262 -8.426 -7.554 1.00 72.31 C ATOM 467 CE2 PHE A 32 -2.603 -6.963 -5.644 1.00 53.45 C ATOM 468 CZ PHE A 32 -3.120 -7.853 -6.601 1.00 52.43 C ATOM 0 H PHE A 32 3.475 -6.424 -6.939 1.00 54.04 H new ATOM 0 HA PHE A 32 1.521 -7.544 -8.615 1.00 32.22 H new ATOM 0 HB2 PHE A 32 1.648 -7.724 -6.141 1.00 43.05 H new ATOM 0 HB3 PHE A 32 1.277 -6.018 -5.995 1.00 43.05 H new ATOM 0 HD1 PHE A 32 -0.237 -8.607 -8.252 1.00 73.32 H new ATOM 0 HD2 PHE A 32 -0.842 -5.943 -4.923 1.00 41.33 H new ATOM 0 HE1 PHE A 32 -2.660 -9.096 -8.302 1.00 72.31 H new ATOM 0 HE2 PHE A 32 -3.258 -6.527 -4.904 1.00 53.45 H new ATOM 0 HZ PHE A 32 -4.172 -8.095 -6.604 1.00 52.43 H new ATOM 477 N PHE A 33 1.239 -4.260 -8.332 1.00 54.15 N ATOM 478 CA PHE A 33 0.552 -3.110 -8.909 1.00 54.34 C ATOM 479 C PHE A 33 1.226 -2.622 -10.198 1.00 1.44 C ATOM 480 O PHE A 33 0.615 -1.871 -10.958 1.00 23.52 O ATOM 481 CB PHE A 33 0.484 -1.981 -7.876 1.00 44.32 C ATOM 482 CG PHE A 33 -0.170 -2.326 -6.548 1.00 2.03 C ATOM 483 CD1 PHE A 33 -1.416 -2.982 -6.511 1.00 34.24 C ATOM 484 CD2 PHE A 33 0.458 -1.969 -5.340 1.00 0.03 C ATOM 485 CE1 PHE A 33 -2.002 -3.321 -5.278 1.00 15.30 C ATOM 486 CE2 PHE A 33 -0.121 -2.315 -4.109 1.00 60.51 C ATOM 487 CZ PHE A 33 -1.343 -3.003 -4.080 1.00 74.34 C ATOM 0 H PHE A 33 1.921 -4.024 -7.611 1.00 54.15 H new ATOM 0 HA PHE A 33 -0.458 -3.421 -9.177 1.00 54.34 H new ATOM 0 HB2 PHE A 33 1.499 -1.635 -7.679 1.00 44.32 H new ATOM 0 HB3 PHE A 33 -0.058 -1.144 -8.318 1.00 44.32 H new ATOM 0 HD1 PHE A 33 -1.923 -3.226 -7.433 1.00 34.24 H new ATOM 0 HD2 PHE A 33 1.391 -1.426 -5.360 1.00 0.03 H new ATOM 0 HE1 PHE A 33 -2.957 -3.825 -5.253 1.00 15.30 H new ATOM 0 HE2 PHE A 33 0.374 -2.052 -3.186 1.00 60.51 H new ATOM 0 HZ PHE A 33 -1.778 -3.289 -3.134 1.00 74.34 H new ATOM 496 N SER A 34 2.464 -3.050 -10.468 1.00 72.11 N ATOM 497 CA SER A 34 3.320 -2.553 -11.540 1.00 40.02 C ATOM 498 C SER A 34 2.711 -2.721 -12.929 1.00 1.20 C ATOM 499 O SER A 34 3.121 -2.026 -13.858 1.00 43.23 O ATOM 500 CB SER A 34 4.694 -3.229 -11.470 1.00 44.34 C ATOM 501 OG SER A 34 4.623 -4.598 -11.824 1.00 51.14 O ATOM 0 H SER A 34 2.912 -3.784 -9.919 1.00 72.11 H new ATOM 0 HA SER A 34 3.428 -1.480 -11.384 1.00 40.02 H new ATOM 0 HB2 SER A 34 5.386 -2.716 -12.138 1.00 44.34 H new ATOM 0 HB3 SER A 34 5.095 -3.134 -10.461 1.00 44.34 H new ATOM 0 HG SER A 34 3.965 -5.049 -11.255 1.00 51.14 H new ATOM 506 N THR A 35 1.738 -3.617 -13.079 1.00 32.13 N ATOM 507 CA THR A 35 1.086 -3.869 -14.351 1.00 1.13 C ATOM 508 C THR A 35 0.302 -2.627 -14.809 1.00 55.24 C ATOM 509 O THR A 35 0.112 -2.433 -16.012 1.00 64.51 O ATOM 510 CB THR A 35 0.246 -5.155 -14.228 1.00 61.14 C ATOM 511 OG1 THR A 35 -0.258 -5.565 -15.476 1.00 15.22 O ATOM 512 CG2 THR A 35 -0.933 -5.024 -13.268 1.00 15.03 C ATOM 0 H THR A 35 1.382 -4.189 -12.314 1.00 32.13 H new ATOM 0 HA THR A 35 1.814 -4.045 -15.143 1.00 1.13 H new ATOM 0 HB THR A 35 0.937 -5.897 -13.829 1.00 61.14 H new ATOM 0 HG1 THR A 35 -0.785 -6.384 -15.363 1.00 15.22 H new ATOM 0 HG21 THR A 35 -1.479 -5.967 -13.232 1.00 15.03 H new ATOM 0 HG22 THR A 35 -0.565 -4.779 -12.272 1.00 15.03 H new ATOM 0 HG23 THR A 35 -1.598 -4.233 -13.614 1.00 15.03 H new ATOM 520 N VAL A 36 -0.113 -1.744 -13.895 1.00 34.53 N ATOM 521 CA VAL A 36 -1.005 -0.619 -14.197 1.00 74.14 C ATOM 522 C VAL A 36 -0.472 0.675 -13.582 1.00 74.43 C ATOM 523 O VAL A 36 -1.201 1.458 -12.965 1.00 0.03 O ATOM 524 CB VAL A 36 -2.465 -0.962 -13.840 1.00 31.14 C ATOM 525 CG1 VAL A 36 -3.089 -1.872 -14.905 1.00 35.13 C ATOM 526 CG2 VAL A 36 -2.616 -1.592 -12.446 1.00 35.51 C ATOM 0 H VAL A 36 0.164 -1.790 -12.914 1.00 34.53 H new ATOM 0 HA VAL A 36 -1.017 -0.436 -15.272 1.00 74.14 H new ATOM 0 HB VAL A 36 -3.002 -0.014 -13.817 1.00 31.14 H new ATOM 0 HG11 VAL A 36 -4.119 -2.100 -14.631 1.00 35.13 H new ATOM 0 HG12 VAL A 36 -3.074 -1.366 -15.870 1.00 35.13 H new ATOM 0 HG13 VAL A 36 -2.518 -2.798 -14.972 1.00 35.13 H new ATOM 0 HG21 VAL A 36 -3.667 -1.809 -12.257 1.00 35.51 H new ATOM 0 HG22 VAL A 36 -2.040 -2.517 -12.400 1.00 35.51 H new ATOM 0 HG23 VAL A 36 -2.247 -0.898 -11.691 1.00 35.51 H new ATOM 536 N GLY A 37 0.819 0.905 -13.800 1.00 53.22 N ATOM 537 CA GLY A 37 1.547 2.095 -13.418 1.00 32.53 C ATOM 538 C GLY A 37 2.660 1.707 -12.460 1.00 32.30 C ATOM 539 O GLY A 37 2.557 0.712 -11.741 1.00 43.04 O ATOM 0 H GLY A 37 1.412 0.224 -14.275 1.00 53.22 H new ATOM 0 HA2 GLY A 37 1.962 2.582 -14.300 1.00 32.53 H new ATOM 0 HA3 GLY A 37 0.876 2.812 -12.945 1.00 32.53 H new ATOM 543 N LYS A 38 3.722 2.511 -12.434 1.00 23.23 N ATOM 544 CA LYS A 38 4.891 2.269 -11.591 1.00 3.10 C ATOM 545 C LYS A 38 4.724 2.931 -10.243 1.00 21.31 C ATOM 546 O LYS A 38 3.872 3.817 -10.078 1.00 11.34 O ATOM 547 CB LYS A 38 6.197 2.628 -12.332 1.00 51.22 C ATOM 548 CG LYS A 38 6.833 4.001 -12.380 1.00 33.52 C ATOM 549 CD LYS A 38 5.976 4.998 -13.181 1.00 0.43 C ATOM 550 CE LYS A 38 6.167 4.800 -14.688 1.00 3.44 C ATOM 551 NZ LYS A 38 5.201 5.560 -15.503 1.00 2.31 N ATOM 0 H LYS A 38 3.795 3.355 -13.002 1.00 23.23 H new ATOM 0 HA LYS A 38 4.973 1.203 -11.381 1.00 3.10 H new ATOM 0 HB2 LYS A 38 6.960 1.962 -11.929 1.00 51.22 H new ATOM 0 HB3 LYS A 38 6.038 2.338 -13.371 1.00 51.22 H new ATOM 0 HG2 LYS A 38 6.971 4.374 -11.365 1.00 33.52 H new ATOM 0 HG3 LYS A 38 7.823 3.928 -12.831 1.00 33.52 H new ATOM 0 HD2 LYS A 38 4.925 4.868 -12.924 1.00 0.43 H new ATOM 0 HD3 LYS A 38 6.247 6.018 -12.907 1.00 0.43 H new ATOM 0 HE2 LYS A 38 7.178 5.100 -14.962 1.00 3.44 H new ATOM 0 HE3 LYS A 38 6.075 3.740 -14.923 1.00 3.44 H new ATOM 0 HZ1 LYS A 38 5.383 5.383 -16.512 1.00 2.31 H new ATOM 0 HZ2 LYS A 38 4.234 5.257 -15.268 1.00 2.31 H new ATOM 0 HZ3 LYS A 38 5.304 6.576 -15.305 1.00 2.31 H new ATOM 561 N VAL A 39 5.600 2.560 -9.324 1.00 35.34 N ATOM 562 CA VAL A 39 5.647 3.010 -7.952 1.00 54.25 C ATOM 563 C VAL A 39 7.035 3.584 -7.698 1.00 55.03 C ATOM 564 O VAL A 39 8.018 3.194 -8.328 1.00 40.45 O ATOM 565 CB VAL A 39 5.151 1.851 -7.056 1.00 15.11 C ATOM 566 CG1 VAL A 39 5.798 0.502 -7.328 1.00 44.12 C ATOM 567 CG2 VAL A 39 5.284 2.023 -5.541 1.00 15.02 C ATOM 0 H VAL A 39 6.343 1.894 -9.535 1.00 35.34 H new ATOM 0 HA VAL A 39 4.976 3.833 -7.707 1.00 54.25 H new ATOM 0 HB VAL A 39 4.101 1.883 -7.348 1.00 15.11 H new ATOM 0 HG11 VAL A 39 5.384 -0.244 -6.649 1.00 44.12 H new ATOM 0 HG12 VAL A 39 5.601 0.205 -8.358 1.00 44.12 H new ATOM 0 HG13 VAL A 39 6.874 0.577 -7.172 1.00 44.12 H new ATOM 0 HG21 VAL A 39 4.898 1.136 -5.039 1.00 15.02 H new ATOM 0 HG22 VAL A 39 6.334 2.159 -5.281 1.00 15.02 H new ATOM 0 HG23 VAL A 39 4.715 2.897 -5.223 1.00 15.02 H new ATOM 577 N ARG A 40 7.090 4.620 -6.866 1.00 62.22 N ATOM 578 CA ARG A 40 8.312 5.297 -6.480 1.00 64.55 C ATOM 579 C ARG A 40 9.085 4.414 -5.501 1.00 24.13 C ATOM 580 O ARG A 40 10.289 4.263 -5.694 1.00 42.23 O ATOM 581 CB ARG A 40 7.976 6.684 -5.918 1.00 43.35 C ATOM 582 CG ARG A 40 9.208 7.346 -5.301 1.00 23.54 C ATOM 583 CD ARG A 40 8.899 8.806 -4.992 1.00 3.42 C ATOM 584 NE ARG A 40 9.782 9.302 -3.919 1.00 3.24 N ATOM 585 CZ ARG A 40 10.372 10.497 -3.815 1.00 24.42 C ATOM 586 NH1 ARG A 40 10.117 11.462 -4.685 1.00 60.14 N ATOM 587 NH2 ARG A 40 11.260 10.718 -2.852 1.00 42.34 N ATOM 0 H ARG A 40 6.258 5.019 -6.432 1.00 62.22 H new ATOM 0 HA ARG A 40 8.959 5.461 -7.342 1.00 64.55 H new ATOM 0 HB2 ARG A 40 7.581 7.316 -6.714 1.00 43.35 H new ATOM 0 HB3 ARG A 40 7.193 6.594 -5.165 1.00 43.35 H new ATOM 0 HG2 ARG A 40 9.497 6.823 -4.389 1.00 23.54 H new ATOM 0 HG3 ARG A 40 10.052 7.279 -5.987 1.00 23.54 H new ATOM 0 HD2 ARG A 40 9.032 9.410 -5.889 1.00 3.42 H new ATOM 0 HD3 ARG A 40 7.857 8.908 -4.690 1.00 3.42 H new ATOM 0 HE ARG A 40 9.966 8.648 -3.158 1.00 3.24 H new ATOM 0 HH11 ARG A 40 9.461 11.299 -5.449 1.00 60.14 H new ATOM 0 HH12 ARG A 40 10.576 12.368 -4.591 1.00 60.14 H new ATOM 0 HH21 ARG A 40 11.492 9.976 -2.192 1.00 42.34 H new ATOM 0 HH22 ARG A 40 11.710 11.630 -2.773 1.00 42.34 H new ATOM 598 N ASP A 41 8.449 3.889 -4.446 1.00 53.25 N ATOM 599 CA ASP A 41 9.110 2.978 -3.497 1.00 14.43 C ATOM 600 C ASP A 41 8.093 2.253 -2.597 1.00 73.35 C ATOM 601 O ASP A 41 6.891 2.503 -2.691 1.00 11.23 O ATOM 602 CB ASP A 41 10.123 3.740 -2.625 1.00 2.01 C ATOM 603 CG ASP A 41 11.248 2.813 -2.172 1.00 22.14 C ATOM 604 OD1 ASP A 41 12.245 2.665 -2.914 1.00 20.50 O ATOM 605 OD2 ASP A 41 11.122 2.244 -1.066 1.00 23.55 O ATOM 0 H ASP A 41 7.472 4.080 -4.226 1.00 53.25 H new ATOM 0 HA ASP A 41 9.636 2.228 -4.088 1.00 14.43 H new ATOM 0 HB2 ASP A 41 10.538 4.576 -3.187 1.00 2.01 H new ATOM 0 HB3 ASP A 41 9.618 4.160 -1.755 1.00 2.01 H new ATOM 609 N VAL A 42 8.557 1.397 -1.681 1.00 61.42 N ATOM 610 CA VAL A 42 7.773 0.623 -0.727 1.00 55.33 C ATOM 611 C VAL A 42 8.442 0.762 0.644 1.00 23.32 C ATOM 612 O VAL A 42 9.535 0.244 0.879 1.00 64.44 O ATOM 613 CB VAL A 42 7.648 -0.830 -1.241 1.00 53.33 C ATOM 614 CG1 VAL A 42 7.081 -1.828 -0.221 1.00 63.52 C ATOM 615 CG2 VAL A 42 6.717 -0.832 -2.463 1.00 75.11 C ATOM 0 H VAL A 42 9.557 1.218 -1.584 1.00 61.42 H new ATOM 0 HA VAL A 42 6.751 0.986 -0.622 1.00 55.33 H new ATOM 0 HB VAL A 42 8.662 -1.157 -1.469 1.00 53.33 H new ATOM 0 HG11 VAL A 42 7.031 -2.819 -0.671 1.00 63.52 H new ATOM 0 HG12 VAL A 42 7.728 -1.860 0.655 1.00 63.52 H new ATOM 0 HG13 VAL A 42 6.081 -1.514 0.078 1.00 63.52 H new ATOM 0 HG21 VAL A 42 6.615 -1.849 -2.841 1.00 75.11 H new ATOM 0 HG22 VAL A 42 5.737 -0.453 -2.174 1.00 75.11 H new ATOM 0 HG23 VAL A 42 7.137 -0.196 -3.242 1.00 75.11 H new ATOM 625 N ARG A 43 7.779 1.483 1.556 1.00 2.23 N ATOM 626 CA ARG A 43 8.235 1.700 2.925 1.00 71.43 C ATOM 627 C ARG A 43 7.416 0.824 3.865 1.00 54.00 C ATOM 628 O ARG A 43 6.366 1.254 4.351 1.00 21.52 O ATOM 629 CB ARG A 43 8.175 3.199 3.231 1.00 75.24 C ATOM 630 CG ARG A 43 8.597 3.536 4.664 1.00 60.32 C ATOM 631 CD ARG A 43 9.198 4.940 4.767 1.00 4.24 C ATOM 632 NE ARG A 43 8.271 6.003 4.320 1.00 12.35 N ATOM 633 CZ ARG A 43 8.031 7.150 4.963 1.00 2.23 C ATOM 634 NH1 ARG A 43 8.722 7.458 6.054 1.00 12.04 N ATOM 635 NH2 ARG A 43 7.115 8.001 4.518 1.00 71.51 N ATOM 0 H ARG A 43 6.890 1.940 1.353 1.00 2.23 H new ATOM 0 HA ARG A 43 9.274 1.402 3.067 1.00 71.43 H new ATOM 0 HB2 ARG A 43 8.821 3.732 2.533 1.00 75.24 H new ATOM 0 HB3 ARG A 43 7.159 3.558 3.064 1.00 75.24 H new ATOM 0 HG2 ARG A 43 7.733 3.462 5.324 1.00 60.32 H new ATOM 0 HG3 ARG A 43 9.326 2.803 5.010 1.00 60.32 H new ATOM 0 HD2 ARG A 43 9.487 5.130 5.801 1.00 4.24 H new ATOM 0 HD3 ARG A 43 10.108 4.984 4.168 1.00 4.24 H new ATOM 0 HE ARG A 43 7.771 5.847 3.445 1.00 12.35 H new ATOM 0 HH11 ARG A 43 9.437 6.819 6.402 1.00 12.04 H new ATOM 0 HH12 ARG A 43 8.538 8.334 6.544 1.00 12.04 H new ATOM 0 HH21 ARG A 43 6.583 7.783 3.675 1.00 71.51 H new ATOM 0 HH22 ARG A 43 6.942 8.873 5.019 1.00 71.51 H new ATOM 646 N MET A 44 7.845 -0.432 4.028 1.00 3.03 N ATOM 647 CA MET A 44 7.128 -1.373 4.878 1.00 23.35 C ATOM 648 C MET A 44 7.579 -1.218 6.329 1.00 14.12 C ATOM 649 O MET A 44 8.635 -0.649 6.622 1.00 65.24 O ATOM 650 CB MET A 44 7.217 -2.815 4.351 1.00 31.21 C ATOM 651 CG MET A 44 8.634 -3.369 4.180 1.00 22.15 C ATOM 652 SD MET A 44 8.677 -5.148 3.798 1.00 61.23 S ATOM 653 CE MET A 44 8.057 -5.139 2.094 1.00 32.42 C ATOM 0 H MET A 44 8.680 -0.813 3.584 1.00 3.03 H new ATOM 0 HA MET A 44 6.065 -1.134 4.848 1.00 23.35 H new ATOM 0 HB2 MET A 44 6.671 -3.467 5.033 1.00 31.21 H new ATOM 0 HB3 MET A 44 6.708 -2.863 3.388 1.00 31.21 H new ATOM 0 HG2 MET A 44 9.136 -2.822 3.382 1.00 22.15 H new ATOM 0 HG3 MET A 44 9.199 -3.188 5.094 1.00 22.15 H new ATOM 0 HE1 MET A 44 8.253 -6.106 1.630 1.00 32.42 H new ATOM 0 HE2 MET A 44 6.984 -4.950 2.098 1.00 32.42 H new ATOM 0 HE3 MET A 44 8.561 -4.356 1.527 1.00 32.42 H new ATOM 661 N ILE A 45 6.750 -1.711 7.248 1.00 30.53 N ATOM 662 CA ILE A 45 6.970 -1.576 8.677 1.00 53.33 C ATOM 663 C ILE A 45 7.918 -2.710 9.090 1.00 10.05 C ATOM 664 O ILE A 45 7.901 -3.795 8.500 1.00 50.24 O ATOM 665 CB ILE A 45 5.603 -1.557 9.412 1.00 13.34 C ATOM 666 CG1 ILE A 45 4.734 -0.344 8.998 1.00 65.53 C ATOM 667 CG2 ILE A 45 5.773 -1.507 10.940 1.00 74.11 C ATOM 668 CD1 ILE A 45 3.938 -0.558 7.709 1.00 34.32 C ATOM 0 H ILE A 45 5.898 -2.220 7.013 1.00 30.53 H new ATOM 0 HA ILE A 45 7.446 -0.635 8.954 1.00 53.33 H new ATOM 0 HB ILE A 45 5.107 -2.483 9.121 1.00 13.34 H new ATOM 0 HG12 ILE A 45 4.040 -0.114 9.807 1.00 65.53 H new ATOM 0 HG13 ILE A 45 5.379 0.526 8.874 1.00 65.53 H new ATOM 0 HG21 ILE A 45 4.792 -1.495 11.415 1.00 74.11 H new ATOM 0 HG22 ILE A 45 6.327 -2.385 11.273 1.00 74.11 H new ATOM 0 HG23 ILE A 45 6.321 -0.606 11.216 1.00 74.11 H new ATOM 0 HD11 ILE A 45 3.356 0.337 7.488 1.00 34.32 H new ATOM 0 HD12 ILE A 45 4.625 -0.757 6.886 1.00 34.32 H new ATOM 0 HD13 ILE A 45 3.266 -1.407 7.833 1.00 34.32 H new ATOM 814 N GLY A 55 1.558 -8.240 8.930 1.00 30.52 N ATOM 815 CA GLY A 55 1.903 -7.921 7.552 1.00 51.42 C ATOM 816 C GLY A 55 1.270 -6.597 7.140 1.00 72.40 C ATOM 817 O GLY A 55 0.061 -6.547 6.921 1.00 41.10 O ATOM 0 HA2 GLY A 55 2.986 -7.862 7.446 1.00 51.42 H new ATOM 0 HA3 GLY A 55 1.560 -8.717 6.891 1.00 51.42 H new ATOM 821 N ILE A 56 2.049 -5.510 7.099 1.00 21.53 N ATOM 822 CA ILE A 56 1.569 -4.143 6.874 1.00 24.51 C ATOM 823 C ILE A 56 2.584 -3.329 6.048 1.00 22.33 C ATOM 824 O ILE A 56 3.778 -3.649 6.073 1.00 14.14 O ATOM 825 CB ILE A 56 1.241 -3.454 8.222 1.00 44.40 C ATOM 826 CG1 ILE A 56 2.289 -3.689 9.325 1.00 51.34 C ATOM 827 CG2 ILE A 56 -0.130 -3.923 8.734 1.00 42.34 C ATOM 828 CD1 ILE A 56 2.156 -2.667 10.460 1.00 24.41 C ATOM 0 H ILE A 56 3.060 -5.559 7.225 1.00 21.53 H new ATOM 0 HA ILE A 56 0.648 -4.191 6.294 1.00 24.51 H new ATOM 0 HB ILE A 56 1.241 -2.385 8.010 1.00 44.40 H new ATOM 0 HG12 ILE A 56 2.175 -4.696 9.727 1.00 51.34 H new ATOM 0 HG13 ILE A 56 3.289 -3.628 8.896 1.00 51.34 H new ATOM 0 HG21 ILE A 56 -0.351 -3.433 9.682 1.00 42.34 H new ATOM 0 HG22 ILE A 56 -0.898 -3.666 8.005 1.00 42.34 H new ATOM 0 HG23 ILE A 56 -0.114 -5.003 8.879 1.00 42.34 H new ATOM 0 HD11 ILE A 56 2.913 -2.866 11.219 1.00 24.41 H new ATOM 0 HD12 ILE A 56 2.296 -1.662 10.063 1.00 24.41 H new ATOM 0 HD13 ILE A 56 1.165 -2.746 10.906 1.00 24.41 H new ATOM 839 N ALA A 57 2.134 -2.271 5.346 1.00 30.31 N ATOM 840 CA ALA A 57 2.951 -1.500 4.398 1.00 44.13 C ATOM 841 C ALA A 57 2.363 -0.108 4.070 1.00 63.20 C ATOM 842 O ALA A 57 1.157 0.118 4.214 1.00 73.14 O ATOM 843 CB ALA A 57 3.037 -2.318 3.103 1.00 63.13 C ATOM 0 H ALA A 57 1.178 -1.925 5.425 1.00 30.31 H new ATOM 0 HA ALA A 57 3.926 -1.326 4.854 1.00 44.13 H new ATOM 0 HB1 ALA A 57 3.637 -1.778 2.371 1.00 63.13 H new ATOM 0 HB2 ALA A 57 3.500 -3.282 3.312 1.00 63.13 H new ATOM 0 HB3 ALA A 57 2.035 -2.476 2.705 1.00 63.13 H new ATOM 849 N TYR A 58 3.213 0.802 3.568 1.00 13.44 N ATOM 850 CA TYR A 58 2.886 2.017 2.811 1.00 24.52 C ATOM 851 C TYR A 58 3.624 1.895 1.466 1.00 0.35 C ATOM 852 O TYR A 58 4.852 2.008 1.403 1.00 60.31 O ATOM 853 CB TYR A 58 3.367 3.313 3.525 1.00 42.11 C ATOM 854 CG TYR A 58 2.874 3.571 4.937 1.00 4.25 C ATOM 855 CD1 TYR A 58 3.299 2.743 5.985 1.00 4.03 C ATOM 856 CD2 TYR A 58 1.952 4.604 5.204 1.00 21.43 C ATOM 857 CE1 TYR A 58 2.738 2.876 7.264 1.00 34.32 C ATOM 858 CE2 TYR A 58 1.331 4.690 6.465 1.00 11.22 C ATOM 859 CZ TYR A 58 1.727 3.829 7.513 1.00 74.21 C ATOM 860 OH TYR A 58 1.108 3.861 8.728 1.00 1.01 O ATOM 0 H TYR A 58 4.220 0.698 3.691 1.00 13.44 H new ATOM 0 HA TYR A 58 1.804 2.096 2.704 1.00 24.52 H new ATOM 0 HB2 TYR A 58 4.457 3.297 3.549 1.00 42.11 H new ATOM 0 HB3 TYR A 58 3.074 4.163 2.908 1.00 42.11 H new ATOM 0 HD1 TYR A 58 4.062 1.999 5.807 1.00 4.03 H new ATOM 0 HD2 TYR A 58 1.722 5.331 4.439 1.00 21.43 H new ATOM 0 HE1 TYR A 58 3.084 2.242 8.067 1.00 34.32 H new ATOM 0 HE2 TYR A 58 0.549 5.417 6.632 1.00 11.22 H new ATOM 0 HH TYR A 58 0.438 4.576 8.735 1.00 1.01 H new ATOM 869 N VAL A 59 2.904 1.601 0.390 1.00 75.33 N ATOM 870 CA VAL A 59 3.429 1.536 -0.976 1.00 72.55 C ATOM 871 C VAL A 59 3.243 2.928 -1.583 1.00 61.22 C ATOM 872 O VAL A 59 2.159 3.492 -1.420 1.00 32.33 O ATOM 873 CB VAL A 59 2.651 0.437 -1.720 1.00 41.31 C ATOM 874 CG1 VAL A 59 2.958 0.370 -3.219 1.00 62.54 C ATOM 875 CG2 VAL A 59 2.887 -0.945 -1.092 1.00 24.44 C ATOM 0 H VAL A 59 1.907 1.394 0.442 1.00 75.33 H new ATOM 0 HA VAL A 59 4.487 1.279 -1.032 1.00 72.55 H new ATOM 0 HB VAL A 59 1.603 0.716 -1.615 1.00 41.31 H new ATOM 0 HG11 VAL A 59 2.372 -0.428 -3.675 1.00 62.54 H new ATOM 0 HG12 VAL A 59 2.701 1.321 -3.686 1.00 62.54 H new ATOM 0 HG13 VAL A 59 4.020 0.170 -3.364 1.00 62.54 H new ATOM 0 HG21 VAL A 59 2.322 -1.696 -1.643 1.00 24.44 H new ATOM 0 HG22 VAL A 59 3.949 -1.187 -1.133 1.00 24.44 H new ATOM 0 HG23 VAL A 59 2.558 -0.934 -0.053 1.00 24.44 H new ATOM 885 N GLU A 60 4.268 3.504 -2.223 1.00 73.44 N ATOM 886 CA GLU A 60 4.321 4.918 -2.600 1.00 34.40 C ATOM 887 C GLU A 60 4.372 5.060 -4.131 1.00 42.11 C ATOM 888 O GLU A 60 5.454 4.989 -4.706 1.00 40.43 O ATOM 889 CB GLU A 60 5.526 5.584 -1.897 1.00 34.22 C ATOM 890 CG GLU A 60 5.572 7.115 -2.079 1.00 55.01 C ATOM 891 CD GLU A 60 6.881 7.747 -1.581 1.00 0.44 C ATOM 892 OE1 GLU A 60 7.611 7.164 -0.738 1.00 61.23 O ATOM 893 OE2 GLU A 60 7.233 8.861 -2.020 1.00 53.24 O ATOM 0 H GLU A 60 5.102 2.986 -2.499 1.00 73.44 H new ATOM 0 HA GLU A 60 3.418 5.433 -2.271 1.00 34.40 H new ATOM 0 HB2 GLU A 60 5.489 5.353 -0.832 1.00 34.22 H new ATOM 0 HB3 GLU A 60 6.448 5.152 -2.285 1.00 34.22 H new ATOM 0 HG2 GLU A 60 5.441 7.353 -3.135 1.00 55.01 H new ATOM 0 HG3 GLU A 60 4.734 7.563 -1.545 1.00 55.01 H new ATOM 898 N PHE A 61 3.230 5.152 -4.821 1.00 0.23 N ATOM 899 CA PHE A 61 3.106 5.210 -6.275 1.00 72.43 C ATOM 900 C PHE A 61 3.782 6.398 -6.972 1.00 31.51 C ATOM 901 O PHE A 61 4.147 7.396 -6.356 1.00 34.50 O ATOM 902 CB PHE A 61 1.628 5.151 -6.686 1.00 35.32 C ATOM 903 CG PHE A 61 1.340 3.865 -7.416 1.00 21.32 C ATOM 904 CD1 PHE A 61 1.369 2.643 -6.725 1.00 0.41 C ATOM 905 CD2 PHE A 61 1.134 3.885 -8.801 1.00 40.45 C ATOM 906 CE1 PHE A 61 1.134 1.445 -7.409 1.00 2.30 C ATOM 907 CE2 PHE A 61 0.906 2.684 -9.490 1.00 31.50 C ATOM 908 CZ PHE A 61 0.896 1.471 -8.793 1.00 61.14 C ATOM 0 H PHE A 61 2.324 5.190 -4.354 1.00 0.23 H new ATOM 0 HA PHE A 61 3.656 4.334 -6.619 1.00 72.43 H new ATOM 0 HB2 PHE A 61 0.994 5.225 -5.802 1.00 35.32 H new ATOM 0 HB3 PHE A 61 1.386 6.001 -7.324 1.00 35.32 H new ATOM 0 HD1 PHE A 61 1.573 2.628 -5.665 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.151 4.822 -9.337 1.00 40.45 H new ATOM 0 HE1 PHE A 61 1.136 0.506 -6.876 1.00 2.30 H new ATOM 0 HE2 PHE A 61 0.738 2.696 -10.557 1.00 31.50 H new ATOM 0 HZ PHE A 61 0.704 0.549 -9.322 1.00 61.14 H new ATOM 917 N VAL A 62 3.849 6.336 -8.309 1.00 51.15 N ATOM 918 CA VAL A 62 4.220 7.487 -9.130 1.00 14.11 C ATOM 919 C VAL A 62 3.001 8.364 -9.491 1.00 33.13 C ATOM 920 O VAL A 62 3.180 9.566 -9.731 1.00 14.03 O ATOM 921 CB VAL A 62 5.031 7.045 -10.375 1.00 12.32 C ATOM 922 CG1 VAL A 62 5.537 8.275 -11.137 1.00 53.24 C ATOM 923 CG2 VAL A 62 6.244 6.202 -9.990 1.00 43.05 C ATOM 0 H VAL A 62 3.648 5.491 -8.845 1.00 51.15 H new ATOM 0 HA VAL A 62 4.874 8.122 -8.532 1.00 14.11 H new ATOM 0 HB VAL A 62 4.362 6.449 -10.996 1.00 12.32 H new ATOM 0 HG11 VAL A 62 6.106 7.954 -12.010 1.00 53.24 H new ATOM 0 HG12 VAL A 62 4.688 8.878 -11.459 1.00 53.24 H new ATOM 0 HG13 VAL A 62 6.178 8.869 -10.485 1.00 53.24 H new ATOM 0 HG21 VAL A 62 6.786 5.912 -10.890 1.00 43.05 H new ATOM 0 HG22 VAL A 62 6.900 6.783 -9.343 1.00 43.05 H new ATOM 0 HG23 VAL A 62 5.913 5.308 -9.462 1.00 43.05 H new ATOM 933 N ASP A 63 1.760 7.840 -9.493 1.00 24.54 N ATOM 934 CA ASP A 63 0.585 8.689 -9.735 1.00 4.42 C ATOM 935 C ASP A 63 -0.606 8.371 -8.846 1.00 42.02 C ATOM 936 O ASP A 63 -0.927 7.199 -8.635 1.00 35.51 O ATOM 937 CB ASP A 63 0.045 8.620 -11.169 1.00 34.53 C ATOM 938 CG ASP A 63 -0.724 9.920 -11.446 1.00 73.41 C ATOM 939 OD1 ASP A 63 -0.077 10.988 -11.562 1.00 54.42 O ATOM 940 OD2 ASP A 63 -1.967 9.937 -11.415 1.00 55.51 O ATOM 0 H ASP A 63 1.551 6.855 -9.333 1.00 24.54 H new ATOM 0 HA ASP A 63 0.985 9.679 -9.515 1.00 4.42 H new ATOM 0 HB2 ASP A 63 0.863 8.502 -11.880 1.00 34.53 H new ATOM 0 HB3 ASP A 63 -0.609 7.757 -11.289 1.00 34.53 H new ATOM 944 N VAL A 64 -1.317 9.442 -8.491 1.00 63.31 N ATOM 945 CA VAL A 64 -2.577 9.523 -7.772 1.00 35.42 C ATOM 946 C VAL A 64 -3.626 8.574 -8.360 1.00 0.52 C ATOM 947 O VAL A 64 -4.294 7.886 -7.590 1.00 14.31 O ATOM 948 CB VAL A 64 -3.082 10.989 -7.804 1.00 3.13 C ATOM 949 CG1 VAL A 64 -4.256 11.213 -6.842 1.00 13.33 C ATOM 950 CG2 VAL A 64 -1.985 12.029 -7.494 1.00 44.32 C ATOM 0 H VAL A 64 -0.981 10.375 -8.730 1.00 63.31 H new ATOM 0 HA VAL A 64 -2.413 9.213 -6.740 1.00 35.42 H new ATOM 0 HB VAL A 64 -3.411 11.141 -8.832 1.00 3.13 H new ATOM 0 HG11 VAL A 64 -4.578 12.253 -6.897 1.00 13.33 H new ATOM 0 HG12 VAL A 64 -5.084 10.562 -7.121 1.00 13.33 H new ATOM 0 HG13 VAL A 64 -3.941 10.984 -5.824 1.00 13.33 H new ATOM 0 HG21 VAL A 64 -2.412 13.031 -7.535 1.00 44.32 H new ATOM 0 HG22 VAL A 64 -1.582 11.846 -6.498 1.00 44.32 H new ATOM 0 HG23 VAL A 64 -1.186 11.945 -8.230 1.00 44.32 H new ATOM 960 N SER A 65 -3.779 8.481 -9.695 1.00 21.43 N ATOM 961 CA SER A 65 -4.903 7.719 -10.254 1.00 4.32 C ATOM 962 C SER A 65 -4.802 6.232 -9.903 1.00 61.22 C ATOM 963 O SER A 65 -5.796 5.511 -9.918 1.00 31.00 O ATOM 964 CB SER A 65 -5.049 7.948 -11.770 1.00 2.53 C ATOM 965 OG SER A 65 -3.831 7.899 -12.504 1.00 23.01 O ATOM 0 H SER A 65 -3.160 8.909 -10.383 1.00 21.43 H new ATOM 0 HA SER A 65 -5.815 8.095 -9.790 1.00 4.32 H new ATOM 0 HB2 SER A 65 -5.729 7.197 -12.172 1.00 2.53 H new ATOM 0 HB3 SER A 65 -5.515 8.920 -11.933 1.00 2.53 H new ATOM 0 HG SER A 65 -3.266 8.659 -12.252 1.00 23.01 H new ATOM 970 N SER A 66 -3.600 5.769 -9.559 1.00 61.41 N ATOM 971 CA SER A 66 -3.360 4.379 -9.204 1.00 63.22 C ATOM 972 C SER A 66 -3.674 4.051 -7.736 1.00 54.14 C ATOM 973 O SER A 66 -3.657 2.876 -7.363 1.00 64.31 O ATOM 974 CB SER A 66 -1.909 4.018 -9.495 1.00 4.31 C ATOM 975 OG SER A 66 -1.263 4.954 -10.365 1.00 55.24 O ATOM 0 H SER A 66 -2.765 6.354 -9.520 1.00 61.41 H new ATOM 0 HA SER A 66 -4.043 3.787 -9.813 1.00 63.22 H new ATOM 0 HB2 SER A 66 -1.359 3.964 -8.556 1.00 4.31 H new ATOM 0 HB3 SER A 66 -1.870 3.026 -9.945 1.00 4.31 H new ATOM 0 HG SER A 66 -0.948 5.722 -9.844 1.00 55.24 H new ATOM 980 N VAL A 67 -3.918 5.052 -6.889 1.00 72.11 N ATOM 981 CA VAL A 67 -4.211 4.868 -5.470 1.00 60.15 C ATOM 982 C VAL A 67 -5.492 4.029 -5.312 1.00 4.53 C ATOM 983 O VAL A 67 -5.407 2.912 -4.794 1.00 50.41 O ATOM 984 CB VAL A 67 -4.196 6.239 -4.757 1.00 23.42 C ATOM 985 CG1 VAL A 67 -4.685 6.166 -3.309 1.00 61.22 C ATOM 986 CG2 VAL A 67 -2.770 6.820 -4.764 1.00 44.55 C ATOM 0 H VAL A 67 -3.917 6.031 -7.177 1.00 72.11 H new ATOM 0 HA VAL A 67 -3.440 4.287 -4.964 1.00 60.15 H new ATOM 0 HB VAL A 67 -4.883 6.880 -5.310 1.00 23.42 H new ATOM 0 HG11 VAL A 67 -4.651 7.160 -2.863 1.00 61.22 H new ATOM 0 HG12 VAL A 67 -5.710 5.794 -3.289 1.00 61.22 H new ATOM 0 HG13 VAL A 67 -4.043 5.492 -2.742 1.00 61.22 H new ATOM 0 HG21 VAL A 67 -2.768 7.786 -4.260 1.00 44.55 H new ATOM 0 HG22 VAL A 67 -2.097 6.138 -4.244 1.00 44.55 H new ATOM 0 HG23 VAL A 67 -2.434 6.947 -5.793 1.00 44.55 H new ATOM 996 N PRO A 68 -6.667 4.458 -5.818 1.00 14.43 N ATOM 997 CA PRO A 68 -7.874 3.638 -5.748 1.00 52.11 C ATOM 998 C PRO A 68 -7.806 2.361 -6.601 1.00 5.33 C ATOM 999 O PRO A 68 -8.646 1.478 -6.433 1.00 52.41 O ATOM 1000 CB PRO A 68 -9.023 4.556 -6.173 1.00 53.42 C ATOM 1001 CG PRO A 68 -8.335 5.570 -7.083 1.00 32.00 C ATOM 1002 CD PRO A 68 -6.974 5.746 -6.426 1.00 71.14 C ATOM 0 HA PRO A 68 -8.012 3.258 -4.736 1.00 52.11 H new ATOM 0 HB2 PRO A 68 -9.804 4.007 -6.699 1.00 53.42 H new ATOM 0 HB3 PRO A 68 -9.493 5.037 -5.315 1.00 53.42 H new ATOM 0 HG2 PRO A 68 -8.246 5.201 -8.105 1.00 32.00 H new ATOM 0 HG3 PRO A 68 -8.886 6.510 -7.130 1.00 32.00 H new ATOM 0 HD2 PRO A 68 -6.217 6.024 -7.159 1.00 71.14 H new ATOM 0 HD3 PRO A 68 -6.999 6.538 -5.677 1.00 71.14 H new ATOM 1007 N LEU A 69 -6.810 2.224 -7.483 1.00 72.24 N ATOM 1008 CA LEU A 69 -6.589 0.994 -8.237 1.00 63.35 C ATOM 1009 C LEU A 69 -6.185 -0.128 -7.276 1.00 52.22 C ATOM 1010 O LEU A 69 -6.781 -1.202 -7.287 1.00 22.42 O ATOM 1011 CB LEU A 69 -5.540 1.233 -9.338 1.00 21.02 C ATOM 1012 CG LEU A 69 -5.805 0.410 -10.609 1.00 60.41 C ATOM 1013 CD1 LEU A 69 -4.898 0.948 -11.723 1.00 22.23 C ATOM 1014 CD2 LEU A 69 -5.584 -1.092 -10.412 1.00 40.45 C ATOM 0 H LEU A 69 -6.138 2.963 -7.691 1.00 72.24 H new ATOM 0 HA LEU A 69 -7.509 0.686 -8.734 1.00 63.35 H new ATOM 0 HB2 LEU A 69 -5.525 2.292 -9.594 1.00 21.02 H new ATOM 0 HB3 LEU A 69 -4.552 0.985 -8.951 1.00 21.02 H new ATOM 0 HG LEU A 69 -6.856 0.520 -10.875 1.00 60.41 H new ATOM 0 HD11 LEU A 69 -5.068 0.379 -12.637 1.00 22.23 H new ATOM 0 HD12 LEU A 69 -5.126 1.999 -11.902 1.00 22.23 H new ATOM 0 HD13 LEU A 69 -3.855 0.849 -11.423 1.00 22.23 H new ATOM 0 HD21 LEU A 69 -5.788 -1.615 -11.346 1.00 40.45 H new ATOM 0 HD22 LEU A 69 -4.551 -1.272 -10.113 1.00 40.45 H new ATOM 0 HD23 LEU A 69 -6.255 -1.460 -9.636 1.00 40.45 H new ATOM 1025 N ALA A 70 -5.211 0.127 -6.395 1.00 61.45 N ATOM 1026 CA ALA A 70 -4.817 -0.847 -5.376 1.00 32.41 C ATOM 1027 C ALA A 70 -6.006 -1.241 -4.487 1.00 21.21 C ATOM 1028 O ALA A 70 -6.146 -2.410 -4.126 1.00 5.43 O ATOM 1029 CB ALA A 70 -3.692 -0.275 -4.514 1.00 30.43 C ATOM 0 H ALA A 70 -4.683 0.999 -6.369 1.00 61.45 H new ATOM 0 HA ALA A 70 -4.465 -1.743 -5.887 1.00 32.41 H new ATOM 0 HB1 ALA A 70 -3.405 -1.006 -3.758 1.00 30.43 H new ATOM 0 HB2 ALA A 70 -2.832 -0.047 -5.143 1.00 30.43 H new ATOM 0 HB3 ALA A 70 -4.036 0.636 -4.025 1.00 30.43 H new ATOM 1035 N ILE A 71 -6.877 -0.281 -4.150 1.00 31.03 N ATOM 1036 CA ILE A 71 -8.121 -0.541 -3.422 1.00 44.45 C ATOM 1037 C ILE A 71 -8.982 -1.534 -4.216 1.00 73.35 C ATOM 1038 O ILE A 71 -9.503 -2.487 -3.636 1.00 45.51 O ATOM 1039 CB ILE A 71 -8.848 0.787 -3.100 1.00 71.42 C ATOM 1040 CG1 ILE A 71 -8.058 1.616 -2.063 1.00 61.23 C ATOM 1041 CG2 ILE A 71 -10.269 0.540 -2.587 1.00 22.10 C ATOM 1042 CD1 ILE A 71 -8.651 3.020 -1.849 1.00 34.32 C ATOM 0 H ILE A 71 -6.735 0.703 -4.377 1.00 31.03 H new ATOM 0 HA ILE A 71 -7.905 -1.005 -2.460 1.00 44.45 H new ATOM 0 HB ILE A 71 -8.910 1.350 -4.031 1.00 71.42 H new ATOM 0 HG12 ILE A 71 -8.044 1.083 -1.112 1.00 61.23 H new ATOM 0 HG13 ILE A 71 -7.023 1.709 -2.391 1.00 61.23 H new ATOM 0 HG21 ILE A 71 -10.749 1.495 -2.371 1.00 22.10 H new ATOM 0 HG22 ILE A 71 -10.843 0.009 -3.346 1.00 22.10 H new ATOM 0 HG23 ILE A 71 -10.228 -0.059 -1.678 1.00 22.10 H new ATOM 0 HD11 ILE A 71 -8.056 3.558 -1.111 1.00 34.32 H new ATOM 0 HD12 ILE A 71 -8.640 3.567 -2.792 1.00 34.32 H new ATOM 0 HD13 ILE A 71 -9.677 2.931 -1.493 1.00 34.32 H new ATOM 1053 N GLY A 72 -9.118 -1.353 -5.532 1.00 31.01 N ATOM 1054 CA GLY A 72 -9.910 -2.233 -6.379 1.00 50.14 C ATOM 1055 C GLY A 72 -9.487 -3.699 -6.274 1.00 14.12 C ATOM 1056 O GLY A 72 -10.342 -4.590 -6.296 1.00 54.45 O ATOM 0 H GLY A 72 -8.677 -0.585 -6.038 1.00 31.01 H new ATOM 0 HA2 GLY A 72 -10.961 -2.143 -6.105 1.00 50.14 H new ATOM 0 HA3 GLY A 72 -9.821 -1.908 -7.416 1.00 50.14 H new ATOM 1060 N LEU A 73 -8.187 -3.962 -6.116 1.00 65.21 N ATOM 1061 CA LEU A 73 -7.620 -5.308 -6.044 1.00 24.34 C ATOM 1062 C LEU A 73 -7.838 -5.995 -4.685 1.00 32.43 C ATOM 1063 O LEU A 73 -7.380 -7.126 -4.525 1.00 11.43 O ATOM 1064 CB LEU A 73 -6.127 -5.278 -6.427 1.00 33.44 C ATOM 1065 CG LEU A 73 -5.838 -4.739 -7.845 1.00 44.33 C ATOM 1066 CD1 LEU A 73 -4.368 -4.960 -8.205 1.00 62.01 C ATOM 1067 CD2 LEU A 73 -6.713 -5.403 -8.918 1.00 13.51 C ATOM 0 H LEU A 73 -7.485 -3.227 -6.033 1.00 65.21 H new ATOM 0 HA LEU A 73 -8.162 -5.917 -6.767 1.00 24.34 H new ATOM 0 HB2 LEU A 73 -5.592 -4.664 -5.703 1.00 33.44 H new ATOM 0 HB3 LEU A 73 -5.725 -6.288 -6.347 1.00 33.44 H new ATOM 0 HG LEU A 73 -6.073 -3.675 -7.827 1.00 44.33 H new ATOM 0 HD11 LEU A 73 -4.177 -4.576 -9.207 1.00 62.01 H new ATOM 0 HD12 LEU A 73 -3.735 -4.436 -7.489 1.00 62.01 H new ATOM 0 HD13 LEU A 73 -4.143 -6.026 -8.176 1.00 62.01 H new ATOM 0 HD21 LEU A 73 -6.469 -4.987 -9.895 1.00 13.51 H new ATOM 0 HD22 LEU A 73 -6.529 -6.477 -8.924 1.00 13.51 H new ATOM 0 HD23 LEU A 73 -7.764 -5.217 -8.697 1.00 13.51 H new ATOM 1078 N THR A 74 -8.567 -5.390 -3.731 1.00 44.54 N ATOM 1079 CA THR A 74 -8.844 -5.937 -2.394 1.00 14.22 C ATOM 1080 C THR A 74 -9.290 -7.413 -2.389 1.00 21.12 C ATOM 1081 O THR A 74 -9.130 -8.102 -1.381 1.00 52.53 O ATOM 1082 CB THR A 74 -9.839 -5.038 -1.639 1.00 31.22 C ATOM 1083 OG1 THR A 74 -10.001 -5.486 -0.301 1.00 74.21 O ATOM 1084 CG2 THR A 74 -11.213 -5.018 -2.325 1.00 23.24 C ATOM 0 H THR A 74 -8.994 -4.475 -3.876 1.00 44.54 H new ATOM 0 HA THR A 74 -7.891 -5.935 -1.865 1.00 14.22 H new ATOM 0 HB THR A 74 -9.427 -4.029 -1.644 1.00 31.22 H new ATOM 0 HG1 THR A 74 -9.173 -5.914 0.003 1.00 74.21 H new ATOM 0 HG21 THR A 74 -11.890 -4.373 -1.765 1.00 23.24 H new ATOM 0 HG22 THR A 74 -11.107 -4.637 -3.341 1.00 23.24 H new ATOM 0 HG23 THR A 74 -11.618 -6.029 -2.357 1.00 23.24 H new ATOM 1092 N GLY A 75 -9.906 -7.906 -3.464 1.00 45.15 N ATOM 1093 CA GLY A 75 -10.495 -9.233 -3.496 1.00 13.13 C ATOM 1094 C GLY A 75 -9.564 -10.303 -4.057 1.00 22.11 C ATOM 1095 O GLY A 75 -9.970 -11.465 -4.127 1.00 70.05 O ATOM 0 H GLY A 75 -10.008 -7.389 -4.337 1.00 45.15 H new ATOM 0 HA2 GLY A 75 -10.790 -9.514 -2.485 1.00 13.13 H new ATOM 0 HA3 GLY A 75 -11.404 -9.203 -4.097 1.00 13.13 H new ATOM 1099 N GLN A 76 -8.369 -9.944 -4.529 1.00 50.52 N ATOM 1100 CA GLN A 76 -7.364 -10.914 -4.951 1.00 12.13 C ATOM 1101 C GLN A 76 -6.677 -11.533 -3.738 1.00 14.10 C ATOM 1102 O GLN A 76 -6.955 -11.159 -2.601 1.00 2.12 O ATOM 1103 CB GLN A 76 -6.352 -10.247 -5.880 1.00 22.30 C ATOM 1104 CG GLN A 76 -6.987 -9.875 -7.220 1.00 5.10 C ATOM 1105 CD GLN A 76 -5.980 -9.716 -8.357 1.00 35.04 C ATOM 1106 OE1 GLN A 76 -4.914 -10.334 -8.385 1.00 53.51 O ATOM 1107 NE2 GLN A 76 -6.319 -8.896 -9.326 1.00 60.43 N ATOM 0 H GLN A 76 -8.073 -8.973 -4.628 1.00 50.52 H new ATOM 0 HA GLN A 76 -7.854 -11.717 -5.501 1.00 12.13 H new ATOM 0 HB2 GLN A 76 -5.953 -9.352 -5.403 1.00 22.30 H new ATOM 0 HB3 GLN A 76 -5.511 -10.920 -6.048 1.00 22.30 H new ATOM 0 HG2 GLN A 76 -7.711 -10.642 -7.493 1.00 5.10 H new ATOM 0 HG3 GLN A 76 -7.539 -8.942 -7.103 1.00 5.10 H new ATOM 0 HE21 GLN A 76 -7.206 -8.394 -9.283 1.00 60.43 H new ATOM 0 HE22 GLN A 76 -5.695 -8.761 -10.122 1.00 60.43 H new ATOM 1114 N ARG A 77 -5.782 -12.494 -3.986 1.00 22.02 N ATOM 1115 CA ARG A 77 -5.014 -13.187 -2.966 1.00 73.03 C ATOM 1116 C ARG A 77 -3.651 -13.564 -3.540 1.00 22.54 C ATOM 1117 O ARG A 77 -3.478 -14.674 -4.035 1.00 21.33 O ATOM 1118 CB ARG A 77 -5.798 -14.400 -2.437 1.00 30.43 C ATOM 1119 CG ARG A 77 -6.354 -15.327 -3.545 1.00 21.22 C ATOM 1120 CD ARG A 77 -6.131 -16.819 -3.256 1.00 53.44 C ATOM 1121 NE ARG A 77 -7.383 -17.555 -3.036 1.00 52.53 N ATOM 1122 CZ ARG A 77 -7.488 -18.787 -2.531 1.00 33.11 C ATOM 1123 NH1 ARG A 77 -6.411 -19.455 -2.120 1.00 22.32 N ATOM 1124 NH2 ARG A 77 -8.674 -19.373 -2.436 1.00 70.31 N ATOM 0 H ARG A 77 -5.571 -12.815 -4.931 1.00 22.02 H new ATOM 0 HA ARG A 77 -4.844 -12.535 -2.109 1.00 73.03 H new ATOM 0 HB2 ARG A 77 -5.148 -14.982 -1.784 1.00 30.43 H new ATOM 0 HB3 ARG A 77 -6.628 -14.044 -1.826 1.00 30.43 H new ATOM 0 HG2 ARG A 77 -7.422 -15.142 -3.662 1.00 21.22 H new ATOM 0 HG3 ARG A 77 -5.881 -15.073 -4.493 1.00 21.22 H new ATOM 0 HD2 ARG A 77 -5.594 -17.269 -4.091 1.00 53.44 H new ATOM 0 HD3 ARG A 77 -5.496 -16.922 -2.376 1.00 53.44 H new ATOM 0 HE ARG A 77 -8.250 -17.083 -3.292 1.00 52.53 H new ATOM 0 HH11 ARG A 77 -5.488 -19.026 -2.188 1.00 22.32 H new ATOM 0 HH12 ARG A 77 -6.509 -20.395 -1.737 1.00 22.32 H new ATOM 0 HH21 ARG A 77 -9.512 -18.883 -2.749 1.00 70.31 H new ATOM 0 HH22 ARG A 77 -8.748 -20.314 -2.050 1.00 70.31 H new ATOM 1135 N VAL A 78 -2.684 -12.657 -3.465 1.00 4.00 N ATOM 1136 CA VAL A 78 -1.364 -12.770 -4.078 1.00 44.04 C ATOM 1137 C VAL A 78 -0.629 -13.978 -3.503 1.00 34.52 C ATOM 1138 O VAL A 78 -0.042 -13.909 -2.423 1.00 40.33 O ATOM 1139 CB VAL A 78 -0.599 -11.436 -3.931 1.00 40.22 C ATOM 1140 CG1 VAL A 78 0.790 -11.505 -4.579 1.00 52.02 C ATOM 1141 CG2 VAL A 78 -1.390 -10.289 -4.579 1.00 55.32 C ATOM 0 H VAL A 78 -2.803 -11.783 -2.952 1.00 4.00 H new ATOM 0 HA VAL A 78 -1.451 -12.950 -5.150 1.00 44.04 H new ATOM 0 HB VAL A 78 -0.480 -11.252 -2.863 1.00 40.22 H new ATOM 0 HG11 VAL A 78 1.297 -10.548 -4.455 1.00 52.02 H new ATOM 0 HG12 VAL A 78 1.376 -12.291 -4.102 1.00 52.02 H new ATOM 0 HG13 VAL A 78 0.685 -11.725 -5.641 1.00 52.02 H new ATOM 0 HG21 VAL A 78 -0.837 -9.357 -4.466 1.00 55.32 H new ATOM 0 HG22 VAL A 78 -1.534 -10.500 -5.639 1.00 55.32 H new ATOM 0 HG23 VAL A 78 -2.361 -10.196 -4.092 1.00 55.32 H new ATOM 1151 N LEU A 79 -0.731 -15.125 -4.183 1.00 1.33 N ATOM 1152 CA LEU A 79 -0.324 -16.437 -3.668 1.00 40.33 C ATOM 1153 C LEU A 79 -0.844 -16.646 -2.235 1.00 60.55 C ATOM 1154 O LEU A 79 -0.146 -17.126 -1.336 1.00 4.42 O ATOM 1155 CB LEU A 79 1.197 -16.604 -3.794 1.00 14.20 C ATOM 1156 CG LEU A 79 1.758 -16.419 -5.220 1.00 64.23 C ATOM 1157 CD1 LEU A 79 3.282 -16.513 -5.200 1.00 23.43 C ATOM 1158 CD2 LEU A 79 1.217 -17.458 -6.205 1.00 42.14 C ATOM 0 H LEU A 79 -1.108 -15.168 -5.130 1.00 1.33 H new ATOM 0 HA LEU A 79 -0.778 -17.223 -4.271 1.00 40.33 H new ATOM 0 HB2 LEU A 79 1.682 -15.886 -3.133 1.00 14.20 H new ATOM 0 HB3 LEU A 79 1.469 -17.598 -3.439 1.00 14.20 H new ATOM 0 HG LEU A 79 1.436 -15.433 -5.556 1.00 64.23 H new ATOM 0 HD11 LEU A 79 3.668 -16.381 -6.211 1.00 23.43 H new ATOM 0 HD12 LEU A 79 3.686 -15.735 -4.553 1.00 23.43 H new ATOM 0 HD13 LEU A 79 3.581 -17.491 -4.822 1.00 23.43 H new ATOM 0 HD21 LEU A 79 1.644 -17.281 -7.192 1.00 42.14 H new ATOM 0 HD22 LEU A 79 1.489 -18.457 -5.866 1.00 42.14 H new ATOM 0 HD23 LEU A 79 0.131 -17.377 -6.260 1.00 42.14 H new ATOM 1169 N GLY A 80 -2.098 -16.269 -2.009 1.00 71.33 N ATOM 1170 CA GLY A 80 -2.774 -16.411 -0.725 1.00 3.12 C ATOM 1171 C GLY A 80 -2.572 -15.212 0.202 1.00 10.11 C ATOM 1172 O GLY A 80 -2.690 -15.369 1.419 1.00 53.44 O ATOM 0 H GLY A 80 -2.685 -15.847 -2.729 1.00 71.33 H new ATOM 0 HA2 GLY A 80 -3.841 -16.552 -0.898 1.00 3.12 H new ATOM 0 HA3 GLY A 80 -2.410 -17.310 -0.228 1.00 3.12 H new ATOM 1176 N VAL A 81 -2.216 -14.044 -0.333 1.00 22.54 N ATOM 1177 CA VAL A 81 -2.005 -12.797 0.398 1.00 72.14 C ATOM 1178 C VAL A 81 -3.016 -11.774 -0.133 1.00 25.32 C ATOM 1179 O VAL A 81 -2.728 -11.079 -1.114 1.00 31.21 O ATOM 1180 CB VAL A 81 -0.545 -12.331 0.289 1.00 64.53 C ATOM 1181 CG1 VAL A 81 -0.320 -11.147 1.223 1.00 45.11 C ATOM 1182 CG2 VAL A 81 0.441 -13.426 0.710 1.00 13.03 C ATOM 0 H VAL A 81 -2.060 -13.938 -1.335 1.00 22.54 H new ATOM 0 HA VAL A 81 -2.175 -12.933 1.466 1.00 72.14 H new ATOM 0 HB VAL A 81 -0.372 -12.068 -0.755 1.00 64.53 H new ATOM 0 HG11 VAL A 81 0.715 -10.815 1.147 1.00 45.11 H new ATOM 0 HG12 VAL A 81 -0.984 -10.330 0.941 1.00 45.11 H new ATOM 0 HG13 VAL A 81 -0.530 -11.448 2.249 1.00 45.11 H new ATOM 0 HG21 VAL A 81 1.461 -13.053 0.617 1.00 13.03 H new ATOM 0 HG22 VAL A 81 0.251 -13.708 1.746 1.00 13.03 H new ATOM 0 HG23 VAL A 81 0.314 -14.297 0.067 1.00 13.03 H new ATOM 1192 N PRO A 82 -4.248 -11.741 0.397 1.00 4.20 N ATOM 1193 CA PRO A 82 -5.225 -10.722 0.034 1.00 43.44 C ATOM 1194 C PRO A 82 -4.791 -9.340 0.538 1.00 74.35 C ATOM 1195 O PRO A 82 -3.716 -9.181 1.124 1.00 64.44 O ATOM 1196 CB PRO A 82 -6.554 -11.214 0.615 1.00 54.32 C ATOM 1197 CG PRO A 82 -6.093 -11.955 1.863 1.00 51.31 C ATOM 1198 CD PRO A 82 -4.774 -12.594 1.449 1.00 41.52 C ATOM 0 HA PRO A 82 -5.321 -10.588 -1.043 1.00 43.44 H new ATOM 0 HB2 PRO A 82 -7.226 -10.390 0.854 1.00 54.32 H new ATOM 0 HB3 PRO A 82 -7.085 -11.868 -0.076 1.00 54.32 H new ATOM 0 HG2 PRO A 82 -5.960 -11.275 2.704 1.00 51.31 H new ATOM 0 HG3 PRO A 82 -6.820 -12.706 2.172 1.00 51.31 H new ATOM 0 HD2 PRO A 82 -4.084 -12.652 2.291 1.00 41.52 H new ATOM 0 HD3 PRO A 82 -4.926 -13.612 1.091 1.00 41.52 H new ATOM 1203 N ILE A 83 -5.607 -8.320 0.280 1.00 3.30 N ATOM 1204 CA ILE A 83 -5.324 -6.945 0.666 1.00 72.45 C ATOM 1205 C ILE A 83 -6.634 -6.281 1.096 1.00 24.01 C ATOM 1206 O ILE A 83 -7.727 -6.736 0.744 1.00 63.32 O ATOM 1207 CB ILE A 83 -4.527 -6.238 -0.463 1.00 43.24 C ATOM 1208 CG1 ILE A 83 -4.185 -4.786 -0.067 1.00 72.21 C ATOM 1209 CG2 ILE A 83 -5.174 -6.314 -1.863 1.00 65.02 C ATOM 1210 CD1 ILE A 83 -3.291 -4.062 -1.070 1.00 51.22 C ATOM 0 H ILE A 83 -6.495 -8.430 -0.210 1.00 3.30 H new ATOM 0 HA ILE A 83 -4.669 -6.878 1.534 1.00 72.45 H new ATOM 0 HB ILE A 83 -3.602 -6.806 -0.564 1.00 43.24 H new ATOM 0 HG12 ILE A 83 -5.112 -4.224 0.049 1.00 72.21 H new ATOM 0 HG13 ILE A 83 -3.692 -4.792 0.905 1.00 72.21 H new ATOM 0 HG21 ILE A 83 -4.544 -5.792 -2.584 1.00 65.02 H new ATOM 0 HG22 ILE A 83 -5.277 -7.358 -2.160 1.00 65.02 H new ATOM 0 HG23 ILE A 83 -6.158 -5.846 -1.835 1.00 65.02 H new ATOM 0 HD11 ILE A 83 -3.097 -3.048 -0.719 1.00 51.22 H new ATOM 0 HD12 ILE A 83 -2.347 -4.598 -1.170 1.00 51.22 H new ATOM 0 HD13 ILE A 83 -3.789 -4.022 -2.039 1.00 51.22 H new ATOM 1221 N ILE A 84 -6.538 -5.239 1.919 1.00 5.54 N ATOM 1222 CA ILE A 84 -7.661 -4.547 2.541 1.00 71.24 C ATOM 1223 C ILE A 84 -7.821 -3.169 1.880 1.00 30.34 C ATOM 1224 O ILE A 84 -6.819 -2.499 1.618 1.00 1.32 O ATOM 1225 CB ILE A 84 -7.362 -4.479 4.062 1.00 10.11 C ATOM 1226 CG1 ILE A 84 -7.164 -5.869 4.715 1.00 5.43 C ATOM 1227 CG2 ILE A 84 -8.438 -3.716 4.839 1.00 61.32 C ATOM 1228 CD1 ILE A 84 -8.330 -6.841 4.516 1.00 2.41 C ATOM 0 H ILE A 84 -5.637 -4.838 2.181 1.00 5.54 H new ATOM 0 HA ILE A 84 -8.611 -5.063 2.404 1.00 71.24 H new ATOM 0 HB ILE A 84 -6.420 -3.935 4.125 1.00 10.11 H new ATOM 0 HG12 ILE A 84 -6.259 -6.321 4.309 1.00 5.43 H new ATOM 0 HG13 ILE A 84 -7.000 -5.733 5.784 1.00 5.43 H new ATOM 0 HG21 ILE A 84 -8.179 -3.699 5.898 1.00 61.32 H new ATOM 0 HG22 ILE A 84 -8.502 -2.694 4.464 1.00 61.32 H new ATOM 0 HG23 ILE A 84 -9.400 -4.211 4.709 1.00 61.32 H new ATOM 0 HD11 ILE A 84 -8.103 -7.787 5.007 1.00 2.41 H new ATOM 0 HD12 ILE A 84 -9.236 -6.416 4.949 1.00 2.41 H new ATOM 0 HD13 ILE A 84 -8.483 -7.013 3.451 1.00 2.41 H new ATOM 1239 N VAL A 85 -9.053 -2.691 1.694 1.00 13.14 N ATOM 1240 CA VAL A 85 -9.398 -1.390 1.108 1.00 62.14 C ATOM 1241 C VAL A 85 -8.974 -0.175 1.956 1.00 30.43 C ATOM 1242 O VAL A 85 -9.261 0.960 1.579 1.00 45.13 O ATOM 1243 CB VAL A 85 -10.912 -1.354 0.805 1.00 4.41 C ATOM 1244 CG1 VAL A 85 -11.322 -2.462 -0.156 1.00 51.14 C ATOM 1245 CG2 VAL A 85 -11.820 -1.420 2.044 1.00 50.25 C ATOM 0 H VAL A 85 -9.880 -3.226 1.961 1.00 13.14 H new ATOM 0 HA VAL A 85 -8.823 -1.299 0.187 1.00 62.14 H new ATOM 0 HB VAL A 85 -11.061 -0.376 0.348 1.00 4.41 H new ATOM 0 HG11 VAL A 85 -12.394 -2.403 -0.344 1.00 51.14 H new ATOM 0 HG12 VAL A 85 -10.782 -2.347 -1.096 1.00 51.14 H new ATOM 0 HG13 VAL A 85 -11.084 -3.431 0.283 1.00 51.14 H new ATOM 0 HG21 VAL A 85 -12.864 -1.389 1.732 1.00 50.25 H new ATOM 0 HG22 VAL A 85 -11.630 -2.347 2.585 1.00 50.25 H new ATOM 0 HG23 VAL A 85 -11.610 -0.571 2.695 1.00 50.25 H new ATOM 1255 N GLN A 86 -8.280 -0.387 3.081 1.00 30.13 N ATOM 1256 CA GLN A 86 -7.930 0.614 4.087 1.00 72.22 C ATOM 1257 C GLN A 86 -7.428 1.904 3.470 1.00 50.14 C ATOM 1258 O GLN A 86 -7.945 2.970 3.808 1.00 54.15 O ATOM 1259 CB GLN A 86 -6.828 0.064 5.016 1.00 5.33 C ATOM 1260 CG GLN A 86 -7.386 -0.334 6.385 1.00 10.33 C ATOM 1261 CD GLN A 86 -7.610 0.898 7.259 1.00 4.13 C ATOM 1262 OE1 GLN A 86 -8.731 1.359 7.454 1.00 33.22 O ATOM 1263 NE2 GLN A 86 -6.547 1.535 7.725 1.00 53.52 N ATOM 0 H GLN A 86 -7.930 -1.314 3.324 1.00 30.13 H new ATOM 0 HA GLN A 86 -8.842 0.829 4.645 1.00 72.22 H new ATOM 0 HB2 GLN A 86 -6.358 -0.802 4.549 1.00 5.33 H new ATOM 0 HB3 GLN A 86 -6.051 0.818 5.145 1.00 5.33 H new ATOM 0 HG2 GLN A 86 -8.326 -0.871 6.257 1.00 10.33 H new ATOM 0 HG3 GLN A 86 -6.695 -1.016 6.880 1.00 10.33 H new ATOM 0 HE21 GLN A 86 -5.614 1.155 7.565 1.00 53.52 H new ATOM 0 HE22 GLN A 86 -6.661 2.406 8.244 1.00 53.52 H new ATOM 1270 N ALA A 87 -6.424 1.798 2.597 1.00 13.54 N ATOM 1271 CA ALA A 87 -5.680 2.909 2.045 1.00 12.53 C ATOM 1272 C ALA A 87 -4.997 3.766 3.124 1.00 45.55 C ATOM 1273 O ALA A 87 -5.267 3.697 4.322 1.00 5.51 O ATOM 1274 CB ALA A 87 -6.594 3.700 1.102 1.00 61.12 C ATOM 0 H ALA A 87 -6.102 0.895 2.248 1.00 13.54 H new ATOM 0 HA ALA A 87 -4.845 2.527 1.458 1.00 12.53 H new ATOM 0 HB1 ALA A 87 -6.042 4.540 0.680 1.00 61.12 H new ATOM 0 HB2 ALA A 87 -6.936 3.050 0.297 1.00 61.12 H new ATOM 0 HB3 ALA A 87 -7.454 4.073 1.657 1.00 61.12 H new ATOM 1280 N SER A 88 -4.044 4.561 2.667 1.00 52.35 N ATOM 1281 CA SER A 88 -3.395 5.625 3.403 1.00 31.25 C ATOM 1282 C SER A 88 -4.256 6.873 3.104 1.00 14.12 C ATOM 1283 O SER A 88 -3.930 7.663 2.215 1.00 44.41 O ATOM 1284 CB SER A 88 -1.954 5.723 2.876 1.00 70.01 C ATOM 1285 OG SER A 88 -1.193 6.771 3.444 1.00 12.31 O ATOM 0 H SER A 88 -3.684 4.473 1.717 1.00 52.35 H new ATOM 0 HA SER A 88 -3.325 5.484 4.482 1.00 31.25 H new ATOM 0 HB2 SER A 88 -1.446 4.778 3.066 1.00 70.01 H new ATOM 0 HB3 SER A 88 -1.984 5.857 1.795 1.00 70.01 H new ATOM 0 HG SER A 88 -0.253 6.671 3.184 1.00 12.31 H new