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 -150:sc= -0.208 USER MOD Single : A 18 MET CE :methyl 166:sc= -0.0473 (180deg=-0.418) USER MOD Single : A 19 GLN :FLIP amide:sc= -1.7! C(o=-2.3!,f=-1.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 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 -173:sc= 0 (180deg=-0.0414) USER MOD Single : A 58 TYR OH : rot -92:sc= 0.0325 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 84:sc= 1.22 USER MOD Single : A 74 THR OG1 : rot 24:sc= 1.14 USER MOD Single : A 76 GLN : amide:sc= -0.0811 K(o=-0.081,f=-0.68) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 134:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 -0.728 10.073 -1.037 1.00 13.32 N ATOM 164 CA ARG A 13 -0.119 9.268 -2.106 1.00 10.10 C ATOM 165 C ARG A 13 0.551 7.957 -1.647 1.00 12.50 C ATOM 166 O ARG A 13 1.258 7.318 -2.427 1.00 34.21 O ATOM 167 CB ARG A 13 0.886 10.134 -2.843 1.00 52.44 C ATOM 168 CG ARG A 13 0.383 10.200 -4.278 1.00 50.44 C ATOM 169 CD ARG A 13 0.815 9.025 -5.162 1.00 50.44 C ATOM 170 NE ARG A 13 -0.335 8.324 -5.759 1.00 61.23 N ATOM 171 CZ ARG A 13 -1.061 7.332 -5.234 1.00 1.41 C ATOM 172 NH1 ARG A 13 -0.729 6.791 -4.093 1.00 1.50 N ATOM 173 NH2 ARG A 13 -2.102 6.814 -5.849 1.00 24.21 N ATOM 0 HA ARG A 13 -0.936 8.947 -2.752 1.00 10.10 H new ATOM 0 HB2 ARG A 13 0.947 11.129 -2.401 1.00 52.44 H new ATOM 0 HB3 ARG A 13 1.886 9.703 -2.796 1.00 52.44 H new ATOM 0 HG2 ARG A 13 -0.706 10.246 -4.265 1.00 50.44 H new ATOM 0 HG3 ARG A 13 0.736 11.127 -4.730 1.00 50.44 H new ATOM 0 HD2 ARG A 13 1.467 9.390 -5.955 1.00 50.44 H new ATOM 0 HD3 ARG A 13 1.399 8.321 -4.568 1.00 50.44 H new ATOM 0 HE ARG A 13 -0.612 8.635 -6.690 1.00 61.23 H new ATOM 0 HH11 ARG A 13 0.094 7.125 -3.591 1.00 1.50 H new ATOM 0 HH12 ARG A 13 -1.292 6.035 -3.704 1.00 1.50 H new ATOM 0 HH21 ARG A 13 -2.383 7.169 -6.763 1.00 24.21 H new ATOM 0 HH22 ARG A 13 -2.628 6.057 -5.412 1.00 24.21 H new ATOM 184 N THR A 14 0.304 7.510 -0.439 1.00 54.22 N ATOM 185 CA THR A 14 0.727 6.186 0.057 1.00 70.34 C ATOM 186 C THR A 14 -0.473 5.262 0.330 1.00 34.43 C ATOM 187 O THR A 14 -1.439 5.693 0.965 1.00 72.35 O ATOM 188 CB THR A 14 1.595 6.354 1.323 1.00 43.12 C ATOM 189 OG1 THR A 14 2.308 7.579 1.356 1.00 72.34 O ATOM 190 CG2 THR A 14 2.613 5.224 1.425 1.00 32.30 C ATOM 0 H THR A 14 -0.207 8.055 0.256 1.00 54.22 H new ATOM 0 HA THR A 14 1.321 5.708 -0.722 1.00 70.34 H new ATOM 0 HB THR A 14 0.897 6.338 2.160 1.00 43.12 H new ATOM 0 HG1 THR A 14 2.836 7.628 2.180 1.00 72.34 H new ATOM 0 HG21 THR A 14 3.216 5.358 2.323 1.00 32.30 H new ATOM 0 HG22 THR A 14 2.092 4.268 1.477 1.00 32.30 H new ATOM 0 HG23 THR A 14 3.260 5.237 0.548 1.00 32.30 H new ATOM 198 N VAL A 15 -0.446 4.010 -0.155 1.00 72.05 N ATOM 199 CA VAL A 15 -1.465 2.970 0.066 1.00 1.24 C ATOM 200 C VAL A 15 -1.041 2.080 1.237 1.00 32.30 C ATOM 201 O VAL A 15 0.000 2.330 1.844 1.00 50.35 O ATOM 202 CB VAL A 15 -1.777 2.172 -1.230 1.00 43.54 C ATOM 203 CG1 VAL A 15 -2.823 2.906 -2.072 1.00 73.12 C ATOM 204 CG2 VAL A 15 -0.544 1.859 -2.095 1.00 73.02 C ATOM 0 H VAL A 15 0.322 3.680 -0.739 1.00 72.05 H new ATOM 0 HA VAL A 15 -2.407 3.447 0.335 1.00 1.24 H new ATOM 0 HB VAL A 15 -2.165 1.211 -0.891 1.00 43.54 H new ATOM 0 HG11 VAL A 15 -3.030 2.333 -2.976 1.00 73.12 H new ATOM 0 HG12 VAL A 15 -3.741 3.018 -1.495 1.00 73.12 H new ATOM 0 HG13 VAL A 15 -2.444 3.891 -2.345 1.00 73.12 H new ATOM 0 HG21 VAL A 15 -0.852 1.300 -2.979 1.00 73.02 H new ATOM 0 HG22 VAL A 15 -0.069 2.791 -2.402 1.00 73.02 H new ATOM 0 HG23 VAL A 15 0.164 1.264 -1.518 1.00 73.02 H new ATOM 214 N PHE A 16 -1.873 1.099 1.608 1.00 64.35 N ATOM 215 CA PHE A 16 -1.734 0.303 2.815 1.00 11.44 C ATOM 216 C PHE A 16 -2.211 -1.129 2.566 1.00 44.54 C ATOM 217 O PHE A 16 -3.389 -1.360 2.277 1.00 23.21 O ATOM 218 CB PHE A 16 -2.564 0.948 3.932 1.00 4.30 C ATOM 219 CG PHE A 16 -2.520 0.270 5.287 1.00 53.53 C ATOM 220 CD1 PHE A 16 -1.339 -0.343 5.745 1.00 31.31 C ATOM 221 CD2 PHE A 16 -3.653 0.300 6.120 1.00 63.13 C ATOM 222 CE1 PHE A 16 -1.305 -0.970 6.996 1.00 4.43 C ATOM 223 CE2 PHE A 16 -3.615 -0.317 7.383 1.00 63.25 C ATOM 224 CZ PHE A 16 -2.446 -0.973 7.810 1.00 41.15 C ATOM 0 H PHE A 16 -2.686 0.835 1.051 1.00 64.35 H new ATOM 0 HA PHE A 16 -0.685 0.267 3.109 1.00 11.44 H new ATOM 0 HB2 PHE A 16 -2.228 1.978 4.055 1.00 4.30 H new ATOM 0 HB3 PHE A 16 -3.603 0.989 3.605 1.00 4.30 H new ATOM 0 HD1 PHE A 16 -0.453 -0.330 5.127 1.00 31.31 H new ATOM 0 HD2 PHE A 16 -4.553 0.797 5.789 1.00 63.13 H new ATOM 0 HE1 PHE A 16 -0.399 -1.452 7.334 1.00 4.43 H new ATOM 0 HE2 PHE A 16 -4.483 -0.287 8.025 1.00 63.25 H new ATOM 0 HZ PHE A 16 -2.428 -1.478 8.764 1.00 41.15 H new ATOM 233 N CYS A 17 -1.312 -2.098 2.698 1.00 3.10 N ATOM 234 CA CYS A 17 -1.654 -3.506 2.820 1.00 70.45 C ATOM 235 C CYS A 17 -1.677 -3.850 4.310 1.00 2.24 C ATOM 236 O CYS A 17 -0.720 -3.523 5.010 1.00 2.43 O ATOM 237 CB CYS A 17 -0.608 -4.396 2.136 1.00 25.34 C ATOM 238 SG CYS A 17 -0.155 -3.856 0.467 1.00 31.14 S ATOM 0 H CYS A 17 -0.308 -1.921 2.723 1.00 3.10 H new ATOM 0 HA CYS A 17 -2.619 -3.681 2.344 1.00 70.45 H new ATOM 0 HB2 CYS A 17 0.290 -4.423 2.754 1.00 25.34 H new ATOM 0 HB3 CYS A 17 -0.991 -5.415 2.085 1.00 25.34 H new ATOM 0 HG CYS A 17 0.181 -4.889 -0.247 1.00 31.14 H new ATOM 243 N MET A 18 -2.702 -4.575 4.775 1.00 44.43 N ATOM 244 CA MET A 18 -2.859 -4.981 6.180 1.00 31.23 C ATOM 245 C MET A 18 -3.193 -6.488 6.289 1.00 44.15 C ATOM 246 O MET A 18 -3.956 -6.893 7.161 1.00 25.50 O ATOM 247 CB MET A 18 -3.920 -4.074 6.836 1.00 54.54 C ATOM 248 CG MET A 18 -3.994 -4.194 8.370 1.00 33.32 C ATOM 249 SD MET A 18 -5.678 -4.195 9.056 1.00 65.11 S ATOM 250 CE MET A 18 -6.088 -2.443 8.877 1.00 61.12 C ATOM 0 H MET A 18 -3.460 -4.902 4.176 1.00 44.43 H new ATOM 0 HA MET A 18 -1.921 -4.852 6.721 1.00 31.23 H new ATOM 0 HB2 MET A 18 -3.707 -3.038 6.574 1.00 54.54 H new ATOM 0 HB3 MET A 18 -4.897 -4.315 6.417 1.00 54.54 H new ATOM 0 HG2 MET A 18 -3.493 -5.114 8.673 1.00 33.32 H new ATOM 0 HG3 MET A 18 -3.437 -3.368 8.812 1.00 33.32 H new ATOM 0 HE1 MET A 18 -7.161 -2.305 9.014 1.00 61.12 H new ATOM 0 HE2 MET A 18 -5.549 -1.865 9.627 1.00 61.12 H new ATOM 0 HE3 MET A 18 -5.802 -2.102 7.882 1.00 61.12 H new ATOM 258 N GLN A 19 -2.703 -7.329 5.367 1.00 53.32 N ATOM 259 CA GLN A 19 -3.052 -8.757 5.320 1.00 34.12 C ATOM 260 C GLN A 19 -1.868 -9.629 4.854 1.00 41.31 C ATOM 261 O GLN A 19 -2.067 -10.671 4.230 1.00 24.54 O ATOM 262 CB GLN A 19 -4.314 -8.934 4.440 1.00 74.14 C ATOM 263 CG GLN A 19 -5.227 -10.059 4.966 1.00 33.11 C ATOM 264 CD GLN A 19 -6.454 -10.367 4.106 1.00 42.43 C ATOM 265 OE1 GLN A 19 -6.938 -9.414 3.328 1.00 4.01 O flip ATOM 266 NE2 GLN A 19 -6.944 -11.496 4.099 1.00 64.52 N flip ATOM 0 H GLN A 19 -2.055 -7.040 4.634 1.00 53.32 H new ATOM 0 HA GLN A 19 -3.280 -9.107 6.327 1.00 34.12 H new ATOM 0 HB2 GLN A 19 -4.871 -7.998 4.411 1.00 74.14 H new ATOM 0 HB3 GLN A 19 -4.014 -9.158 3.416 1.00 74.14 H new ATOM 0 HG2 GLN A 19 -4.635 -10.969 5.062 1.00 33.11 H new ATOM 0 HG3 GLN A 19 -5.565 -9.791 5.967 1.00 33.11 H new ATOM 0 HE21 GLN A 19 -6.561 -12.222 4.704 1.00 64.52 H new ATOM 0 HE22 GLN A 19 -7.733 -11.706 3.488 1.00 64.52 H new ATOM 273 N LEU A 20 -0.627 -9.163 5.043 1.00 12.41 N ATOM 274 CA LEU A 20 0.525 -9.736 4.342 1.00 51.14 C ATOM 275 C LEU A 20 0.980 -11.083 4.909 1.00 2.24 C ATOM 276 O LEU A 20 0.653 -11.450 6.039 1.00 64.11 O ATOM 277 CB LEU A 20 1.724 -8.775 4.353 1.00 5.34 C ATOM 278 CG LEU A 20 1.458 -7.400 3.727 1.00 4.20 C ATOM 279 CD1 LEU A 20 2.742 -6.586 3.817 1.00 34.10 C ATOM 280 CD2 LEU A 20 1.024 -7.500 2.265 1.00 62.25 C ATOM 0 H LEU A 20 -0.397 -8.394 5.673 1.00 12.41 H new ATOM 0 HA LEU A 20 0.178 -9.899 3.322 1.00 51.14 H new ATOM 0 HB2 LEU A 20 2.046 -8.632 5.384 1.00 5.34 H new ATOM 0 HB3 LEU A 20 2.552 -9.245 3.823 1.00 5.34 H new ATOM 0 HG LEU A 20 0.643 -6.924 4.272 1.00 4.20 H new ATOM 0 HD11 LEU A 20 2.580 -5.602 3.378 1.00 34.10 H new ATOM 0 HD12 LEU A 20 3.029 -6.474 4.862 1.00 34.10 H new ATOM 0 HD13 LEU A 20 3.537 -7.099 3.275 1.00 34.10 H new ATOM 0 HD21 LEU A 20 0.848 -6.500 1.868 1.00 62.25 H new ATOM 0 HD22 LEU A 20 1.808 -7.988 1.685 1.00 62.25 H new ATOM 0 HD23 LEU A 20 0.106 -8.084 2.197 1.00 62.25 H new ATOM 291 N ALA A 21 1.834 -11.771 4.146 1.00 4.10 N ATOM 292 CA ALA A 21 2.571 -12.947 4.585 1.00 21.10 C ATOM 293 C ALA A 21 3.750 -12.584 5.499 1.00 43.25 C ATOM 294 O ALA A 21 4.187 -11.432 5.572 1.00 5.40 O ATOM 295 CB ALA A 21 3.105 -13.696 3.359 1.00 11.41 C ATOM 0 H ALA A 21 2.033 -11.513 3.179 1.00 4.10 H new ATOM 0 HA ALA A 21 1.884 -13.573 5.155 1.00 21.10 H new ATOM 0 HB1 ALA A 21 3.658 -14.578 3.683 1.00 11.41 H new ATOM 0 HB2 ALA A 21 2.271 -14.003 2.728 1.00 11.41 H new ATOM 0 HB3 ALA A 21 3.767 -13.041 2.792 1.00 11.41 H new ATOM 301 N ALA A 22 4.339 -13.613 6.114 1.00 32.54 N ATOM 302 CA ALA A 22 5.663 -13.574 6.727 1.00 50.35 C ATOM 303 C ALA A 22 6.776 -13.495 5.679 1.00 34.52 C ATOM 304 O ALA A 22 7.712 -12.714 5.820 1.00 65.43 O ATOM 305 CB ALA A 22 5.873 -14.844 7.554 1.00 34.40 C ATOM 0 H ALA A 22 3.890 -14.525 6.200 1.00 32.54 H new ATOM 0 HA ALA A 22 5.710 -12.682 7.352 1.00 50.35 H new ATOM 0 HB1 ALA A 22 6.861 -14.819 8.014 1.00 34.40 H new ATOM 0 HB2 ALA A 22 5.112 -14.902 8.332 1.00 34.40 H new ATOM 0 HB3 ALA A 22 5.796 -15.717 6.906 1.00 34.40 H new ATOM 311 N ARG A 23 6.729 -14.367 4.665 1.00 43.12 N ATOM 312 CA ARG A 23 7.841 -14.611 3.736 1.00 1.00 C ATOM 313 C ARG A 23 7.763 -13.735 2.487 1.00 42.41 C ATOM 314 O ARG A 23 8.392 -14.049 1.477 1.00 14.03 O ATOM 315 CB ARG A 23 7.910 -16.115 3.400 1.00 42.11 C ATOM 316 CG ARG A 23 8.456 -16.954 4.562 1.00 63.14 C ATOM 317 CD ARG A 23 9.981 -16.809 4.690 1.00 74.45 C ATOM 318 NE ARG A 23 10.496 -17.352 5.959 1.00 61.35 N ATOM 319 CZ ARG A 23 10.789 -18.630 6.231 1.00 32.31 C ATOM 320 NH1 ARG A 23 10.549 -19.584 5.345 1.00 32.22 N ATOM 321 NH2 ARG A 23 11.296 -18.951 7.412 1.00 22.21 N ATOM 0 H ARG A 23 5.904 -14.932 4.463 1.00 43.12 H new ATOM 0 HA ARG A 23 8.771 -14.324 4.227 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.914 -16.471 3.136 1.00 42.11 H new ATOM 0 HB3 ARG A 23 8.542 -16.259 2.524 1.00 42.11 H new ATOM 0 HG2 ARG A 23 7.980 -16.643 5.492 1.00 63.14 H new ATOM 0 HG3 ARG A 23 8.200 -18.002 4.408 1.00 63.14 H new ATOM 0 HD2 ARG A 23 10.462 -17.322 3.857 1.00 74.45 H new ATOM 0 HD3 ARG A 23 10.250 -15.755 4.614 1.00 74.45 H new ATOM 0 HE ARG A 23 10.646 -16.681 6.713 1.00 61.35 H new ATOM 0 HH11 ARG A 23 10.136 -19.349 4.442 1.00 32.22 H new ATOM 0 HH12 ARG A 23 10.777 -20.554 5.565 1.00 32.22 H new ATOM 0 HH21 ARG A 23 11.462 -18.226 8.110 1.00 22.21 H new ATOM 0 HH22 ARG A 23 11.521 -19.923 7.623 1.00 22.21 H new ATOM 332 N ILE A 24 7.016 -12.638 2.551 1.00 2.43 N ATOM 333 CA ILE A 24 7.031 -11.600 1.537 1.00 5.33 C ATOM 334 C ILE A 24 8.420 -10.940 1.488 1.00 72.53 C ATOM 335 O ILE A 24 9.198 -11.051 2.443 1.00 12.13 O ATOM 336 CB ILE A 24 5.876 -10.629 1.872 1.00 42.05 C ATOM 337 CG1 ILE A 24 5.626 -9.669 0.704 1.00 42.01 C ATOM 338 CG2 ILE A 24 6.072 -9.855 3.192 1.00 64.52 C ATOM 339 CD1 ILE A 24 4.210 -9.113 0.690 1.00 41.12 C ATOM 0 H ILE A 24 6.375 -12.446 3.321 1.00 2.43 H new ATOM 0 HA ILE A 24 6.866 -11.989 0.532 1.00 5.33 H new ATOM 0 HB ILE A 24 4.993 -11.250 2.025 1.00 42.05 H new ATOM 0 HG12 ILE A 24 6.335 -8.843 0.760 1.00 42.01 H new ATOM 0 HG13 ILE A 24 5.816 -10.189 -0.235 1.00 42.01 H new ATOM 0 HG21 ILE A 24 5.220 -9.195 3.357 1.00 64.52 H new ATOM 0 HG22 ILE A 24 6.150 -10.560 4.019 1.00 64.52 H new ATOM 0 HG23 ILE A 24 6.985 -9.262 3.134 1.00 64.52 H new ATOM 0 HD11 ILE A 24 4.092 -8.440 -0.159 1.00 41.12 H new ATOM 0 HD12 ILE A 24 3.498 -9.934 0.604 1.00 41.12 H new ATOM 0 HD13 ILE A 24 4.024 -8.567 1.615 1.00 41.12 H new ATOM 350 N ARG A 25 8.730 -10.217 0.413 1.00 72.14 N ATOM 351 CA ARG A 25 9.877 -9.314 0.308 1.00 32.40 C ATOM 352 C ARG A 25 9.373 -7.902 0.066 1.00 52.24 C ATOM 353 O ARG A 25 8.265 -7.747 -0.444 1.00 51.25 O ATOM 354 CB ARG A 25 10.771 -9.750 -0.865 1.00 22.53 C ATOM 355 CG ARG A 25 11.794 -10.788 -0.381 1.00 70.23 C ATOM 356 CD ARG A 25 12.734 -11.285 -1.478 1.00 5.22 C ATOM 357 NE ARG A 25 12.078 -12.214 -2.407 1.00 45.11 N ATOM 358 CZ ARG A 25 12.666 -13.126 -3.191 1.00 64.14 C ATOM 359 NH1 ARG A 25 13.978 -13.345 -3.135 1.00 10.14 N ATOM 360 NH2 ARG A 25 11.945 -13.814 -4.061 1.00 43.45 N ATOM 0 H ARG A 25 8.170 -10.244 -0.439 1.00 72.14 H new ATOM 0 HA ARG A 25 10.457 -9.346 1.231 1.00 32.40 H new ATOM 0 HB2 ARG A 25 10.160 -10.173 -1.663 1.00 22.53 H new ATOM 0 HB3 ARG A 25 11.286 -8.885 -1.283 1.00 22.53 H new ATOM 0 HG2 ARG A 25 12.387 -10.352 0.423 1.00 70.23 H new ATOM 0 HG3 ARG A 25 11.261 -11.640 0.042 1.00 70.23 H new ATOM 0 HD2 ARG A 25 13.119 -10.431 -2.036 1.00 5.22 H new ATOM 0 HD3 ARG A 25 13.591 -11.779 -1.020 1.00 5.22 H new ATOM 0 HE ARG A 25 11.061 -12.158 -2.461 1.00 45.11 H new ATOM 0 HH11 ARG A 25 14.557 -12.813 -2.485 1.00 10.14 H new ATOM 0 HH12 ARG A 25 14.405 -14.045 -3.742 1.00 10.14 H new ATOM 0 HH21 ARG A 25 10.941 -13.650 -4.134 1.00 43.45 H new ATOM 0 HH22 ARG A 25 12.393 -14.509 -4.658 1.00 43.45 H new ATOM 371 N PRO A 26 10.185 -6.864 0.328 1.00 13.31 N ATOM 372 CA PRO A 26 9.790 -5.495 0.037 1.00 24.31 C ATOM 373 C PRO A 26 9.449 -5.289 -1.442 1.00 33.01 C ATOM 374 O PRO A 26 8.600 -4.456 -1.741 1.00 3.40 O ATOM 375 CB PRO A 26 10.948 -4.611 0.513 1.00 14.32 C ATOM 376 CG PRO A 26 12.146 -5.557 0.548 1.00 43.45 C ATOM 377 CD PRO A 26 11.520 -6.900 0.909 1.00 30.23 C ATOM 0 HA PRO A 26 8.869 -5.232 0.558 1.00 24.31 H new ATOM 0 HB2 PRO A 26 11.118 -3.776 -0.167 1.00 14.32 H new ATOM 0 HB3 PRO A 26 10.747 -4.185 1.496 1.00 14.32 H new ATOM 0 HG2 PRO A 26 12.656 -5.596 -0.414 1.00 43.45 H new ATOM 0 HG3 PRO A 26 12.884 -5.245 1.287 1.00 43.45 H new ATOM 0 HD2 PRO A 26 12.103 -7.728 0.506 1.00 30.23 H new ATOM 0 HD3 PRO A 26 11.476 -7.037 1.989 1.00 30.23 H new ATOM 382 N ARG A 27 10.062 -6.039 -2.368 1.00 23.20 N ATOM 383 CA ARG A 27 9.768 -5.879 -3.788 1.00 25.03 C ATOM 384 C ARG A 27 8.465 -6.552 -4.215 1.00 44.25 C ATOM 385 O ARG A 27 7.916 -6.137 -5.229 1.00 43.21 O ATOM 386 CB ARG A 27 10.979 -6.282 -4.643 1.00 23.31 C ATOM 387 CG ARG A 27 10.861 -5.720 -6.072 1.00 41.41 C ATOM 388 CD ARG A 27 12.208 -5.600 -6.783 1.00 14.33 C ATOM 389 NE ARG A 27 12.834 -6.918 -6.962 1.00 2.31 N ATOM 390 CZ ARG A 27 13.741 -7.254 -7.883 1.00 21.03 C ATOM 391 NH1 ARG A 27 14.221 -6.357 -8.737 1.00 74.01 N ATOM 392 NH2 ARG A 27 14.184 -8.502 -7.892 1.00 61.41 N ATOM 0 H ARG A 27 10.757 -6.755 -2.157 1.00 23.20 H new ATOM 0 HA ARG A 27 9.590 -4.819 -3.967 1.00 25.03 H new ATOM 0 HB2 ARG A 27 11.894 -5.914 -4.179 1.00 23.31 H new ATOM 0 HB3 ARG A 27 11.055 -7.369 -4.681 1.00 23.31 H new ATOM 0 HG2 ARG A 27 10.205 -6.365 -6.656 1.00 41.41 H new ATOM 0 HG3 ARG A 27 10.390 -4.738 -6.032 1.00 41.41 H new ATOM 0 HD2 ARG A 27 12.068 -5.126 -7.754 1.00 14.33 H new ATOM 0 HD3 ARG A 27 12.871 -4.955 -6.206 1.00 14.33 H new ATOM 0 HE ARG A 27 12.546 -7.652 -6.316 1.00 2.31 H new ATOM 0 HH11 ARG A 27 13.897 -5.391 -8.697 1.00 74.01 H new ATOM 0 HH12 ARG A 27 14.913 -6.635 -9.433 1.00 74.01 H new ATOM 0 HH21 ARG A 27 13.832 -9.173 -7.209 1.00 61.41 H new ATOM 0 HH22 ARG A 27 14.877 -8.792 -8.582 1.00 61.41 H new ATOM 403 N ASP A 28 7.912 -7.502 -3.450 1.00 42.43 N ATOM 404 CA ASP A 28 6.643 -8.142 -3.850 1.00 5.31 C ATOM 405 C ASP A 28 5.532 -7.099 -3.941 1.00 71.42 C ATOM 406 O ASP A 28 4.621 -7.239 -4.754 1.00 1.53 O ATOM 407 CB ASP A 28 6.140 -9.200 -2.854 1.00 51.44 C ATOM 408 CG ASP A 28 6.885 -10.532 -2.865 1.00 45.12 C ATOM 409 OD1 ASP A 28 8.111 -10.547 -3.106 1.00 64.25 O ATOM 410 OD2 ASP A 28 6.260 -11.560 -2.515 1.00 31.21 O ATOM 0 H ASP A 28 8.307 -7.841 -2.573 1.00 42.43 H new ATOM 0 HA ASP A 28 6.860 -8.619 -4.806 1.00 5.31 H new ATOM 0 HB2 ASP A 28 6.198 -8.782 -1.849 1.00 51.44 H new ATOM 0 HB3 ASP A 28 5.087 -9.393 -3.059 1.00 51.44 H new ATOM 414 N LEU A 29 5.595 -6.083 -3.073 1.00 44.35 N ATOM 415 CA LEU A 29 4.552 -5.087 -2.904 1.00 33.43 C ATOM 416 C LEU A 29 4.515 -4.140 -4.088 1.00 33.03 C ATOM 417 O LEU A 29 3.428 -3.838 -4.574 1.00 41.43 O ATOM 418 CB LEU A 29 4.759 -4.276 -1.611 1.00 74.32 C ATOM 419 CG LEU A 29 4.541 -5.025 -0.284 1.00 10.10 C ATOM 420 CD1 LEU A 29 3.219 -5.797 -0.258 1.00 65.13 C ATOM 421 CD2 LEU A 29 5.687 -5.972 0.086 1.00 22.13 C ATOM 0 H LEU A 29 6.395 -5.934 -2.458 1.00 44.35 H new ATOM 0 HA LEU A 29 3.603 -5.620 -2.838 1.00 33.43 H new ATOM 0 HB2 LEU A 29 5.775 -3.881 -1.616 1.00 74.32 H new ATOM 0 HB3 LEU A 29 4.084 -3.420 -1.634 1.00 74.32 H new ATOM 0 HG LEU A 29 4.508 -4.235 0.466 1.00 10.10 H new ATOM 0 HD11 LEU A 29 3.114 -6.307 0.700 1.00 65.13 H new ATOM 0 HD12 LEU A 29 2.389 -5.103 -0.392 1.00 65.13 H new ATOM 0 HD13 LEU A 29 3.211 -6.532 -1.063 1.00 65.13 H new ATOM 0 HD21 LEU A 29 5.462 -6.463 1.032 1.00 22.13 H new ATOM 0 HD22 LEU A 29 5.804 -6.724 -0.694 1.00 22.13 H new ATOM 0 HD23 LEU A 29 6.612 -5.403 0.184 1.00 22.13 H new ATOM 432 N GLU A 30 5.677 -3.660 -4.544 1.00 31.23 N ATOM 433 CA GLU A 30 5.692 -2.858 -5.750 1.00 63.24 C ATOM 434 C GLU A 30 5.309 -3.742 -6.930 1.00 25.20 C ATOM 435 O GLU A 30 4.502 -3.314 -7.745 1.00 61.15 O ATOM 436 CB GLU A 30 7.017 -2.111 -5.963 1.00 21.22 C ATOM 437 CG GLU A 30 8.290 -2.947 -5.821 1.00 44.53 C ATOM 438 CD GLU A 30 9.543 -2.151 -6.192 1.00 42.24 C ATOM 439 OE1 GLU A 30 9.903 -2.119 -7.392 1.00 50.45 O ATOM 440 OE2 GLU A 30 10.221 -1.624 -5.283 1.00 51.21 O ATOM 0 H GLU A 30 6.586 -3.811 -4.107 1.00 31.23 H new ATOM 0 HA GLU A 30 4.954 -2.062 -5.651 1.00 63.24 H new ATOM 0 HB2 GLU A 30 7.006 -1.669 -6.959 1.00 21.22 H new ATOM 0 HB3 GLU A 30 7.066 -1.288 -5.250 1.00 21.22 H new ATOM 0 HG2 GLU A 30 8.377 -3.303 -4.794 1.00 44.53 H new ATOM 0 HG3 GLU A 30 8.218 -3.828 -6.459 1.00 44.53 H new ATOM 445 N GLU A 31 5.811 -4.977 -6.999 1.00 2.33 N ATOM 446 CA GLU A 31 5.548 -5.884 -8.109 1.00 3.21 C ATOM 447 C GLU A 31 4.067 -6.187 -8.277 1.00 33.14 C ATOM 448 O GLU A 31 3.595 -6.244 -9.413 1.00 12.30 O ATOM 449 CB GLU A 31 6.325 -7.190 -7.913 1.00 62.11 C ATOM 450 CG GLU A 31 7.760 -7.063 -8.416 1.00 41.24 C ATOM 451 CD GLU A 31 7.849 -7.260 -9.930 1.00 73.14 C ATOM 452 OE1 GLU A 31 7.019 -6.701 -10.684 1.00 63.32 O ATOM 453 OE2 GLU A 31 8.780 -7.983 -10.346 1.00 13.21 O ATOM 0 H GLU A 31 6.415 -5.375 -6.280 1.00 2.33 H new ATOM 0 HA GLU A 31 5.882 -5.383 -9.018 1.00 3.21 H new ATOM 0 HB2 GLU A 31 6.330 -7.457 -6.856 1.00 62.11 H new ATOM 0 HB3 GLU A 31 5.822 -7.998 -8.444 1.00 62.11 H new ATOM 0 HG2 GLU A 31 8.152 -6.080 -8.153 1.00 41.24 H new ATOM 0 HG3 GLU A 31 8.387 -7.801 -7.916 1.00 41.24 H new ATOM 458 N PHE A 32 3.337 -6.369 -7.171 1.00 14.40 N ATOM 459 CA PHE A 32 1.898 -6.557 -7.207 1.00 11.51 C ATOM 460 C PHE A 32 1.271 -5.376 -7.938 1.00 13.42 C ATOM 461 O PHE A 32 0.569 -5.573 -8.927 1.00 44.13 O ATOM 462 CB PHE A 32 1.325 -6.738 -5.791 1.00 42.25 C ATOM 463 CG PHE A 32 -0.182 -6.949 -5.744 1.00 73.04 C ATOM 464 CD1 PHE A 32 -0.863 -7.521 -6.836 1.00 73.02 C ATOM 465 CD2 PHE A 32 -0.918 -6.576 -4.603 1.00 33.23 C ATOM 466 CE1 PHE A 32 -2.246 -7.694 -6.802 1.00 30.04 C ATOM 467 CE2 PHE A 32 -2.315 -6.757 -4.567 1.00 45.14 C ATOM 468 CZ PHE A 32 -2.987 -7.307 -5.674 1.00 44.12 C ATOM 0 H PHE A 32 3.734 -6.389 -6.232 1.00 14.40 H new ATOM 0 HA PHE A 32 1.657 -7.472 -7.748 1.00 11.51 H new ATOM 0 HB2 PHE A 32 1.814 -7.591 -5.321 1.00 42.25 H new ATOM 0 HB3 PHE A 32 1.575 -5.860 -5.196 1.00 42.25 H new ATOM 0 HD1 PHE A 32 -0.308 -7.829 -7.710 1.00 73.02 H new ATOM 0 HD2 PHE A 32 -0.409 -6.149 -3.751 1.00 33.23 H new ATOM 0 HE1 PHE A 32 -2.752 -8.130 -7.651 1.00 30.04 H new ATOM 0 HE2 PHE A 32 -2.872 -6.473 -3.686 1.00 45.14 H new ATOM 0 HZ PHE A 32 -4.060 -7.430 -5.656 1.00 44.12 H new ATOM 477 N PHE A 33 1.499 -4.154 -7.470 1.00 72.25 N ATOM 478 CA PHE A 33 0.819 -2.997 -8.029 1.00 50.44 C ATOM 479 C PHE A 33 1.342 -2.602 -9.413 1.00 71.01 C ATOM 480 O PHE A 33 0.580 -2.074 -10.226 1.00 43.41 O ATOM 481 CB PHE A 33 0.855 -1.871 -7.001 1.00 70.43 C ATOM 482 CG PHE A 33 0.172 -2.232 -5.684 1.00 51.34 C ATOM 483 CD1 PHE A 33 -1.078 -2.887 -5.685 1.00 23.44 C ATOM 484 CD2 PHE A 33 0.822 -2.006 -4.455 1.00 61.24 C ATOM 485 CE1 PHE A 33 -1.648 -3.344 -4.488 1.00 1.40 C ATOM 486 CE2 PHE A 33 0.284 -2.521 -3.265 1.00 62.42 C ATOM 487 CZ PHE A 33 -0.938 -3.206 -3.287 1.00 1.41 C ATOM 0 H PHE A 33 2.145 -3.942 -6.710 1.00 72.25 H new ATOM 0 HA PHE A 33 -0.224 -3.248 -8.223 1.00 50.44 H new ATOM 0 HB2 PHE A 33 1.893 -1.603 -6.802 1.00 70.43 H new ATOM 0 HB3 PHE A 33 0.373 -0.989 -7.422 1.00 70.43 H new ATOM 0 HD1 PHE A 33 -1.601 -3.038 -6.618 1.00 23.44 H new ATOM 0 HD2 PHE A 33 1.738 -1.434 -4.428 1.00 61.24 H new ATOM 0 HE1 PHE A 33 -2.627 -3.799 -4.491 1.00 1.40 H new ATOM 0 HE2 PHE A 33 0.812 -2.389 -2.332 1.00 62.42 H new ATOM 0 HZ PHE A 33 -1.334 -3.629 -2.376 1.00 1.41 H new ATOM 496 N SER A 34 2.590 -2.946 -9.726 1.00 50.11 N ATOM 497 CA SER A 34 3.230 -2.681 -10.999 1.00 50.14 C ATOM 498 C SER A 34 2.529 -3.402 -12.157 1.00 71.41 C ATOM 499 O SER A 34 2.799 -3.054 -13.307 1.00 62.24 O ATOM 500 CB SER A 34 4.722 -3.043 -10.901 1.00 23.21 C ATOM 501 OG SER A 34 5.502 -2.354 -11.859 1.00 24.02 O ATOM 0 H SER A 34 3.200 -3.435 -9.071 1.00 50.11 H new ATOM 0 HA SER A 34 3.145 -1.618 -11.223 1.00 50.14 H new ATOM 0 HB2 SER A 34 5.086 -2.808 -9.901 1.00 23.21 H new ATOM 0 HB3 SER A 34 4.844 -4.117 -11.040 1.00 23.21 H new ATOM 0 HG SER A 34 6.443 -2.611 -11.761 1.00 24.02 H new ATOM 506 N THR A 35 1.603 -4.345 -11.921 1.00 45.23 N ATOM 507 CA THR A 35 0.890 -4.957 -13.045 1.00 61.41 C ATOM 508 C THR A 35 -0.022 -3.937 -13.736 1.00 61.35 C ATOM 509 O THR A 35 -0.414 -4.158 -14.880 1.00 41.34 O ATOM 510 CB THR A 35 0.107 -6.226 -12.644 1.00 2.32 C ATOM 511 OG1 THR A 35 -1.037 -5.985 -11.847 1.00 13.50 O ATOM 512 CG2 THR A 35 0.963 -7.208 -11.856 1.00 71.15 C ATOM 0 H THR A 35 1.340 -4.688 -10.997 1.00 45.23 H new ATOM 0 HA THR A 35 1.650 -5.280 -13.757 1.00 61.41 H new ATOM 0 HB THR A 35 -0.199 -6.633 -13.608 1.00 2.32 H new ATOM 0 HG1 THR A 35 -1.476 -6.836 -11.638 1.00 13.50 H new ATOM 0 HG21 THR A 35 0.368 -8.084 -11.597 1.00 71.15 H new ATOM 0 HG22 THR A 35 1.816 -7.515 -12.462 1.00 71.15 H new ATOM 0 HG23 THR A 35 1.320 -6.729 -10.944 1.00 71.15 H new ATOM 520 N VAL A 36 -0.399 -2.856 -13.045 1.00 2.40 N ATOM 521 CA VAL A 36 -1.487 -1.969 -13.452 1.00 64.41 C ATOM 522 C VAL A 36 -1.169 -0.484 -13.232 1.00 3.42 C ATOM 523 O VAL A 36 -1.974 0.381 -13.590 1.00 45.53 O ATOM 524 CB VAL A 36 -2.793 -2.416 -12.761 1.00 23.12 C ATOM 525 CG1 VAL A 36 -3.396 -3.630 -13.480 1.00 71.21 C ATOM 526 CG2 VAL A 36 -2.618 -2.733 -11.260 1.00 70.15 C ATOM 0 H VAL A 36 0.051 -2.571 -12.175 1.00 2.40 H new ATOM 0 HA VAL A 36 -1.618 -2.057 -14.530 1.00 64.41 H new ATOM 0 HB VAL A 36 -3.473 -1.567 -12.828 1.00 23.12 H new ATOM 0 HG11 VAL A 36 -4.316 -3.930 -12.978 1.00 71.21 H new ATOM 0 HG12 VAL A 36 -3.616 -3.368 -14.515 1.00 71.21 H new ATOM 0 HG13 VAL A 36 -2.685 -4.456 -13.459 1.00 71.21 H new ATOM 0 HG21 VAL A 36 -3.575 -3.040 -10.839 1.00 70.15 H new ATOM 0 HG22 VAL A 36 -1.894 -3.539 -11.140 1.00 70.15 H new ATOM 0 HG23 VAL A 36 -2.261 -1.844 -10.740 1.00 70.15 H new ATOM 536 N GLY A 37 0.006 -0.151 -12.705 1.00 70.32 N ATOM 537 CA GLY A 37 0.528 1.203 -12.741 1.00 10.23 C ATOM 538 C GLY A 37 1.871 1.259 -12.031 1.00 33.24 C ATOM 539 O GLY A 37 2.081 0.556 -11.044 1.00 4.41 O ATOM 0 H GLY A 37 0.622 -0.818 -12.240 1.00 70.32 H new ATOM 0 HA2 GLY A 37 0.639 1.532 -13.774 1.00 10.23 H new ATOM 0 HA3 GLY A 37 -0.175 1.886 -12.263 1.00 10.23 H new ATOM 543 N LYS A 38 2.772 2.111 -12.513 1.00 63.04 N ATOM 544 CA LYS A 38 4.116 2.231 -11.958 1.00 72.34 C ATOM 545 C LYS A 38 4.087 2.733 -10.511 1.00 50.45 C ATOM 546 O LYS A 38 3.219 3.534 -10.139 1.00 62.43 O ATOM 547 CB LYS A 38 4.995 3.104 -12.869 1.00 33.31 C ATOM 548 CG LYS A 38 4.407 4.498 -13.145 1.00 2.41 C ATOM 549 CD LYS A 38 5.374 5.391 -13.927 1.00 31.20 C ATOM 550 CE LYS A 38 5.475 4.972 -15.401 1.00 2.10 C ATOM 551 NZ LYS A 38 4.849 5.964 -16.304 1.00 21.41 N ATOM 0 H LYS A 38 2.591 2.736 -13.298 1.00 63.04 H new ATOM 0 HA LYS A 38 4.566 1.239 -11.924 1.00 72.34 H new ATOM 0 HB2 LYS A 38 5.977 3.218 -12.410 1.00 33.31 H new ATOM 0 HB3 LYS A 38 5.144 2.588 -13.818 1.00 33.31 H new ATOM 0 HG2 LYS A 38 3.478 4.394 -13.706 1.00 2.41 H new ATOM 0 HG3 LYS A 38 4.156 4.978 -12.199 1.00 2.41 H new ATOM 0 HD2 LYS A 38 5.041 6.427 -13.866 1.00 31.20 H new ATOM 0 HD3 LYS A 38 6.362 5.346 -13.468 1.00 31.20 H new ATOM 0 HE2 LYS A 38 6.524 4.847 -15.671 1.00 2.10 H new ATOM 0 HE3 LYS A 38 4.993 4.004 -15.536 1.00 2.10 H new ATOM 0 HZ1 LYS A 38 4.939 5.643 -17.289 1.00 21.41 H new ATOM 0 HZ2 LYS A 38 3.842 6.065 -16.064 1.00 21.41 H new ATOM 0 HZ3 LYS A 38 5.325 6.882 -16.195 1.00 21.41 H new ATOM 561 N VAL A 39 5.067 2.297 -9.726 1.00 41.44 N ATOM 562 CA VAL A 39 5.222 2.579 -8.305 1.00 33.24 C ATOM 563 C VAL A 39 6.377 3.563 -8.139 1.00 61.33 C ATOM 564 O VAL A 39 7.328 3.567 -8.922 1.00 62.21 O ATOM 565 CB VAL A 39 5.397 1.240 -7.554 1.00 44.55 C ATOM 566 CG1 VAL A 39 5.526 1.446 -6.040 1.00 52.51 C ATOM 567 CG2 VAL A 39 4.183 0.325 -7.815 1.00 53.34 C ATOM 0 H VAL A 39 5.815 1.705 -10.085 1.00 41.44 H new ATOM 0 HA VAL A 39 4.345 3.056 -7.868 1.00 33.24 H new ATOM 0 HB VAL A 39 6.313 0.782 -7.927 1.00 44.55 H new ATOM 0 HG11 VAL A 39 5.647 0.480 -5.550 1.00 52.51 H new ATOM 0 HG12 VAL A 39 6.394 2.071 -5.830 1.00 52.51 H new ATOM 0 HG13 VAL A 39 4.628 1.934 -5.661 1.00 52.51 H new ATOM 0 HG21 VAL A 39 4.315 -0.616 -7.282 1.00 53.34 H new ATOM 0 HG22 VAL A 39 3.275 0.816 -7.464 1.00 53.34 H new ATOM 0 HG23 VAL A 39 4.099 0.128 -8.884 1.00 53.34 H new ATOM 577 N ARG A 40 6.261 4.451 -7.151 1.00 1.23 N ATOM 578 CA ARG A 40 7.265 5.453 -6.838 1.00 53.32 C ATOM 579 C ARG A 40 8.312 4.811 -5.929 1.00 5.44 C ATOM 580 O ARG A 40 9.484 4.855 -6.285 1.00 71.01 O ATOM 581 CB ARG A 40 6.573 6.684 -6.226 1.00 22.43 C ATOM 582 CG ARG A 40 7.450 7.938 -6.172 1.00 14.24 C ATOM 583 CD ARG A 40 7.532 8.581 -7.558 1.00 62.41 C ATOM 584 NE ARG A 40 8.414 9.752 -7.584 1.00 43.15 N ATOM 585 CZ ARG A 40 9.696 9.756 -7.954 1.00 32.42 C ATOM 586 NH1 ARG A 40 10.394 8.624 -8.015 1.00 33.42 N ATOM 587 NH2 ARG A 40 10.248 10.917 -8.273 1.00 34.41 N ATOM 0 H ARG A 40 5.448 4.490 -6.537 1.00 1.23 H new ATOM 0 HA ARG A 40 7.786 5.808 -7.727 1.00 53.32 H new ATOM 0 HB2 ARG A 40 5.676 6.907 -6.804 1.00 22.43 H new ATOM 0 HB3 ARG A 40 6.248 6.438 -5.215 1.00 22.43 H new ATOM 0 HG2 ARG A 40 7.038 8.649 -5.456 1.00 14.24 H new ATOM 0 HG3 ARG A 40 8.449 7.678 -5.823 1.00 14.24 H new ATOM 0 HD2 ARG A 40 7.891 7.844 -8.276 1.00 62.41 H new ATOM 0 HD3 ARG A 40 6.533 8.876 -7.877 1.00 62.41 H new ATOM 0 HE ARG A 40 8.012 10.643 -7.293 1.00 43.15 H new ATOM 0 HH11 ARG A 40 9.949 7.737 -7.777 1.00 33.42 H new ATOM 0 HH12 ARG A 40 11.373 8.643 -8.300 1.00 33.42 H new ATOM 0 HH21 ARG A 40 9.695 11.773 -8.232 1.00 34.41 H new ATOM 0 HH22 ARG A 40 11.226 10.955 -8.560 1.00 34.41 H new ATOM 598 N ASP A 41 7.893 4.189 -4.819 1.00 5.12 N ATOM 599 CA ASP A 41 8.751 3.380 -3.935 1.00 2.13 C ATOM 600 C ASP A 41 7.902 2.608 -2.916 1.00 1.31 C ATOM 601 O ASP A 41 6.709 2.876 -2.785 1.00 21.20 O ATOM 602 CB ASP A 41 9.753 4.254 -3.159 1.00 51.22 C ATOM 603 CG ASP A 41 10.872 3.432 -2.507 1.00 25.44 C ATOM 604 OD1 ASP A 41 11.180 2.312 -2.979 1.00 54.24 O ATOM 605 OD2 ASP A 41 11.512 3.947 -1.563 1.00 14.32 O ATOM 0 H ASP A 41 6.925 4.234 -4.501 1.00 5.12 H new ATOM 0 HA ASP A 41 9.297 2.688 -4.576 1.00 2.13 H new ATOM 0 HB2 ASP A 41 10.193 4.985 -3.837 1.00 51.22 H new ATOM 0 HB3 ASP A 41 9.222 4.813 -2.389 1.00 51.22 H new ATOM 609 N VAL A 42 8.491 1.670 -2.166 1.00 3.23 N ATOM 610 CA VAL A 42 7.858 0.899 -1.109 1.00 51.54 C ATOM 611 C VAL A 42 8.210 1.459 0.271 1.00 12.32 C ATOM 612 O VAL A 42 9.180 2.201 0.421 1.00 4.11 O ATOM 613 CB VAL A 42 8.311 -0.564 -1.245 1.00 23.20 C ATOM 614 CG1 VAL A 42 7.860 -1.166 -2.580 1.00 1.34 C ATOM 615 CG2 VAL A 42 9.824 -0.770 -1.069 1.00 30.12 C ATOM 0 H VAL A 42 9.472 1.421 -2.292 1.00 3.23 H new ATOM 0 HA VAL A 42 6.774 0.961 -1.206 1.00 51.54 H new ATOM 0 HB VAL A 42 7.824 -1.087 -0.422 1.00 23.20 H new ATOM 0 HG11 VAL A 42 8.196 -2.201 -2.645 1.00 1.34 H new ATOM 0 HG12 VAL A 42 6.772 -1.133 -2.645 1.00 1.34 H new ATOM 0 HG13 VAL A 42 8.290 -0.593 -3.401 1.00 1.34 H new ATOM 0 HG21 VAL A 42 10.062 -1.828 -1.179 1.00 30.12 H new ATOM 0 HG22 VAL A 42 10.360 -0.196 -1.825 1.00 30.12 H new ATOM 0 HG23 VAL A 42 10.124 -0.432 -0.077 1.00 30.12 H new ATOM 625 N ARG A 43 7.478 1.045 1.311 1.00 52.31 N ATOM 626 CA ARG A 43 7.715 1.459 2.694 1.00 25.24 C ATOM 627 C ARG A 43 7.287 0.340 3.654 1.00 73.45 C ATOM 628 O ARG A 43 6.486 0.533 4.570 1.00 43.11 O ATOM 629 CB ARG A 43 7.007 2.816 2.905 1.00 41.45 C ATOM 630 CG ARG A 43 7.779 3.722 3.874 1.00 50.54 C ATOM 631 CD ARG A 43 7.660 5.191 3.445 1.00 43.32 C ATOM 632 NE ARG A 43 8.533 6.074 4.229 1.00 42.51 N ATOM 633 CZ ARG A 43 9.864 6.165 4.142 1.00 12.53 C ATOM 634 NH1 ARG A 43 10.531 5.403 3.279 1.00 44.23 N ATOM 635 NH2 ARG A 43 10.527 6.991 4.939 1.00 63.05 N ATOM 0 H ARG A 43 6.692 0.403 1.211 1.00 52.31 H new ATOM 0 HA ARG A 43 8.772 1.616 2.910 1.00 25.24 H new ATOM 0 HB2 ARG A 43 6.898 3.321 1.945 1.00 41.45 H new ATOM 0 HB3 ARG A 43 6.002 2.645 3.291 1.00 41.45 H new ATOM 0 HG2 ARG A 43 7.390 3.599 4.885 1.00 50.54 H new ATOM 0 HG3 ARG A 43 8.828 3.428 3.899 1.00 50.54 H new ATOM 0 HD2 ARG A 43 7.912 5.280 2.388 1.00 43.32 H new ATOM 0 HD3 ARG A 43 6.625 5.516 3.555 1.00 43.32 H new ATOM 0 HE ARG A 43 8.077 6.681 4.910 1.00 42.51 H new ATOM 0 HH11 ARG A 43 10.027 4.748 2.682 1.00 44.23 H new ATOM 0 HH12 ARG A 43 11.546 5.474 3.215 1.00 44.23 H new ATOM 0 HH21 ARG A 43 10.022 7.558 5.620 1.00 63.05 H new ATOM 0 HH22 ARG A 43 11.542 7.059 4.872 1.00 63.05 H new ATOM 646 N MET A 44 7.780 -0.870 3.376 1.00 70.44 N ATOM 647 CA MET A 44 7.482 -2.124 4.061 1.00 31.31 C ATOM 648 C MET A 44 8.026 -2.089 5.497 1.00 14.42 C ATOM 649 O MET A 44 9.230 -1.909 5.688 1.00 52.42 O ATOM 650 CB MET A 44 8.106 -3.273 3.241 1.00 45.41 C ATOM 651 CG MET A 44 7.091 -4.369 2.931 1.00 13.22 C ATOM 652 SD MET A 44 6.457 -5.288 4.359 1.00 25.50 S ATOM 653 CE MET A 44 7.920 -6.266 4.778 1.00 45.13 C ATOM 0 H MET A 44 8.443 -1.005 2.613 1.00 70.44 H new ATOM 0 HA MET A 44 6.405 -2.278 4.134 1.00 31.31 H new ATOM 0 HB2 MET A 44 8.508 -2.877 2.309 1.00 45.41 H new ATOM 0 HB3 MET A 44 8.943 -3.700 3.793 1.00 45.41 H new ATOM 0 HG2 MET A 44 6.247 -3.918 2.409 1.00 13.22 H new ATOM 0 HG3 MET A 44 7.550 -5.078 2.242 1.00 13.22 H new ATOM 0 HE1 MET A 44 7.667 -6.982 5.560 1.00 45.13 H new ATOM 0 HE2 MET A 44 8.265 -6.802 3.894 1.00 45.13 H new ATOM 0 HE3 MET A 44 8.710 -5.605 5.133 1.00 45.13 H new ATOM 661 N ILE A 45 7.175 -2.242 6.510 1.00 24.31 N ATOM 662 CA ILE A 45 7.532 -2.023 7.914 1.00 53.24 C ATOM 663 C ILE A 45 8.279 -3.254 8.438 1.00 11.30 C ATOM 664 O ILE A 45 7.728 -4.356 8.423 1.00 43.45 O ATOM 665 CB ILE A 45 6.275 -1.704 8.765 1.00 14.20 C ATOM 666 CG1 ILE A 45 5.410 -0.600 8.137 1.00 32.41 C ATOM 667 CG2 ILE A 45 6.698 -1.229 10.163 1.00 74.03 C ATOM 668 CD1 ILE A 45 4.461 -1.125 7.064 1.00 24.11 C ATOM 0 H ILE A 45 6.204 -2.526 6.379 1.00 24.31 H new ATOM 0 HA ILE A 45 8.189 -1.157 7.992 1.00 53.24 H new ATOM 0 HB ILE A 45 5.691 -2.623 8.818 1.00 14.20 H new ATOM 0 HG12 ILE A 45 4.830 -0.111 8.920 1.00 32.41 H new ATOM 0 HG13 ILE A 45 6.059 0.159 7.700 1.00 32.41 H new ATOM 0 HG21 ILE A 45 5.811 -1.007 10.756 1.00 74.03 H new ATOM 0 HG22 ILE A 45 7.275 -2.012 10.654 1.00 74.03 H new ATOM 0 HG23 ILE A 45 7.309 -0.331 10.073 1.00 74.03 H new ATOM 0 HD11 ILE A 45 3.877 -0.299 6.658 1.00 24.11 H new ATOM 0 HD12 ILE A 45 5.038 -1.589 6.264 1.00 24.11 H new ATOM 0 HD13 ILE A 45 3.789 -1.863 7.502 1.00 24.11 H new ATOM 814 N GLY A 55 1.619 -7.934 9.499 1.00 4.00 N ATOM 815 CA GLY A 55 1.459 -8.109 8.062 1.00 10.44 C ATOM 816 C GLY A 55 1.039 -6.812 7.409 1.00 45.14 C ATOM 817 O GLY A 55 -0.012 -6.742 6.775 1.00 13.42 O ATOM 0 HA2 GLY A 55 2.396 -8.454 7.626 1.00 10.44 H new ATOM 0 HA3 GLY A 55 0.713 -8.879 7.865 1.00 10.44 H new ATOM 821 N ILE A 56 1.883 -5.795 7.557 1.00 43.45 N ATOM 822 CA ILE A 56 1.648 -4.435 7.104 1.00 22.24 C ATOM 823 C ILE A 56 2.686 -4.053 6.050 1.00 71.02 C ATOM 824 O ILE A 56 3.859 -4.416 6.186 1.00 71.21 O ATOM 825 CB ILE A 56 1.649 -3.466 8.311 1.00 50.13 C ATOM 826 CG1 ILE A 56 2.830 -3.677 9.284 1.00 72.43 C ATOM 827 CG2 ILE A 56 0.301 -3.603 9.047 1.00 53.04 C ATOM 828 CD1 ILE A 56 3.029 -2.489 10.237 1.00 50.12 C ATOM 0 H ILE A 56 2.787 -5.905 8.016 1.00 43.45 H new ATOM 0 HA ILE A 56 0.666 -4.365 6.635 1.00 22.24 H new ATOM 0 HB ILE A 56 1.780 -2.456 7.923 1.00 50.13 H new ATOM 0 HG12 ILE A 56 2.658 -4.581 9.868 1.00 72.43 H new ATOM 0 HG13 ILE A 56 3.744 -3.836 8.711 1.00 72.43 H new ATOM 0 HG21 ILE A 56 0.283 -2.927 9.902 1.00 53.04 H new ATOM 0 HG22 ILE A 56 -0.512 -3.350 8.367 1.00 53.04 H new ATOM 0 HG23 ILE A 56 0.178 -4.629 9.393 1.00 53.04 H new ATOM 0 HD11 ILE A 56 3.872 -2.690 10.898 1.00 50.12 H new ATOM 0 HD12 ILE A 56 3.230 -1.588 9.658 1.00 50.12 H new ATOM 0 HD13 ILE A 56 2.127 -2.345 10.832 1.00 50.12 H new ATOM 839 N ALA A 57 2.273 -3.289 5.037 1.00 21.01 N ATOM 840 CA ALA A 57 3.142 -2.491 4.181 1.00 42.22 C ATOM 841 C ALA A 57 2.403 -1.221 3.817 1.00 62.02 C ATOM 842 O ALA A 57 1.189 -1.253 3.639 1.00 33.44 O ATOM 843 CB ALA A 57 3.511 -3.199 2.871 1.00 14.54 C ATOM 0 H ALA A 57 1.288 -3.209 4.784 1.00 21.01 H new ATOM 0 HA ALA A 57 4.063 -2.306 4.734 1.00 42.22 H new ATOM 0 HB1 ALA A 57 4.159 -2.553 2.278 1.00 14.54 H new ATOM 0 HB2 ALA A 57 4.033 -4.130 3.095 1.00 14.54 H new ATOM 0 HB3 ALA A 57 2.604 -3.418 2.308 1.00 14.54 H new ATOM 849 N TYR A 58 3.154 -0.152 3.599 1.00 34.43 N ATOM 850 CA TYR A 58 2.730 0.998 2.824 1.00 11.53 C ATOM 851 C TYR A 58 3.687 1.071 1.639 1.00 52.23 C ATOM 852 O TYR A 58 4.768 0.472 1.668 1.00 44.15 O ATOM 853 CB TYR A 58 2.781 2.252 3.703 1.00 45.14 C ATOM 854 CG TYR A 58 1.959 2.157 4.970 1.00 13.34 C ATOM 855 CD1 TYR A 58 2.489 1.511 6.097 1.00 70.14 C ATOM 856 CD2 TYR A 58 0.664 2.690 5.027 1.00 21.00 C ATOM 857 CE1 TYR A 58 1.750 1.392 7.280 1.00 2.34 C ATOM 858 CE2 TYR A 58 -0.087 2.586 6.208 1.00 1.30 C ATOM 859 CZ TYR A 58 0.461 1.962 7.351 1.00 2.44 C ATOM 860 OH TYR A 58 -0.241 1.935 8.515 1.00 62.24 O ATOM 0 H TYR A 58 4.101 -0.061 3.968 1.00 34.43 H new ATOM 0 HA TYR A 58 1.703 0.919 2.467 1.00 11.53 H new ATOM 0 HB2 TYR A 58 3.818 2.452 3.971 1.00 45.14 H new ATOM 0 HB3 TYR A 58 2.432 3.105 3.120 1.00 45.14 H new ATOM 0 HD1 TYR A 58 3.486 1.098 6.051 1.00 70.14 H new ATOM 0 HD2 TYR A 58 0.244 3.181 4.162 1.00 21.00 H new ATOM 0 HE1 TYR A 58 2.162 0.869 8.130 1.00 2.34 H new ATOM 0 HE2 TYR A 58 -1.090 2.985 6.243 1.00 1.30 H new ATOM 0 HH TYR A 58 -0.812 1.139 8.534 1.00 62.24 H new ATOM 869 N VAL A 59 3.264 1.726 0.570 1.00 4.10 N ATOM 870 CA VAL A 59 3.939 1.832 -0.707 1.00 33.12 C ATOM 871 C VAL A 59 3.298 3.023 -1.437 1.00 73.35 C ATOM 872 O VAL A 59 2.122 3.330 -1.225 1.00 21.34 O ATOM 873 CB VAL A 59 3.916 0.440 -1.396 1.00 71.35 C ATOM 874 CG1 VAL A 59 2.595 -0.345 -1.365 1.00 44.55 C ATOM 875 CG2 VAL A 59 4.407 0.468 -2.846 1.00 14.50 C ATOM 0 H VAL A 59 2.378 2.232 0.575 1.00 4.10 H new ATOM 0 HA VAL A 59 5.003 2.062 -0.663 1.00 33.12 H new ATOM 0 HB VAL A 59 4.613 -0.097 -0.753 1.00 71.35 H new ATOM 0 HG11 VAL A 59 2.724 -1.296 -1.882 1.00 44.55 H new ATOM 0 HG12 VAL A 59 2.307 -0.531 -0.330 1.00 44.55 H new ATOM 0 HG13 VAL A 59 1.816 0.234 -1.860 1.00 44.55 H new ATOM 0 HG21 VAL A 59 4.364 -0.538 -3.264 1.00 14.50 H new ATOM 0 HG22 VAL A 59 3.772 1.132 -3.432 1.00 14.50 H new ATOM 0 HG23 VAL A 59 5.435 0.829 -2.875 1.00 14.50 H new ATOM 885 N GLU A 60 4.099 3.766 -2.195 1.00 23.10 N ATOM 886 CA GLU A 60 3.783 5.080 -2.731 1.00 45.33 C ATOM 887 C GLU A 60 3.652 4.940 -4.245 1.00 71.23 C ATOM 888 O GLU A 60 4.595 4.499 -4.908 1.00 62.14 O ATOM 889 CB GLU A 60 4.895 6.065 -2.321 1.00 42.31 C ATOM 890 CG GLU A 60 4.637 7.486 -2.838 1.00 23.40 C ATOM 891 CD GLU A 60 5.695 8.492 -2.387 1.00 52.14 C ATOM 892 OE1 GLU A 60 6.875 8.380 -2.794 1.00 74.11 O ATOM 893 OE2 GLU A 60 5.328 9.485 -1.721 1.00 2.43 O ATOM 0 H GLU A 60 5.031 3.450 -2.463 1.00 23.10 H new ATOM 0 HA GLU A 60 2.845 5.472 -2.338 1.00 45.33 H new ATOM 0 HB2 GLU A 60 4.976 6.086 -1.234 1.00 42.31 H new ATOM 0 HB3 GLU A 60 5.851 5.710 -2.705 1.00 42.31 H new ATOM 0 HG2 GLU A 60 4.602 7.469 -3.927 1.00 23.40 H new ATOM 0 HG3 GLU A 60 3.658 7.819 -2.493 1.00 23.40 H new ATOM 898 N PHE A 61 2.485 5.254 -4.814 1.00 1.43 N ATOM 899 CA PHE A 61 2.327 5.256 -6.269 1.00 24.03 C ATOM 900 C PHE A 61 2.876 6.545 -6.889 1.00 21.03 C ATOM 901 O PHE A 61 3.219 7.501 -6.194 1.00 41.53 O ATOM 902 CB PHE A 61 0.846 5.089 -6.603 1.00 64.22 C ATOM 903 CG PHE A 61 0.491 3.718 -7.092 1.00 41.12 C ATOM 904 CD1 PHE A 61 0.560 3.434 -8.463 1.00 61.01 C ATOM 905 CD2 PHE A 61 -0.005 2.768 -6.183 1.00 53.15 C ATOM 906 CE1 PHE A 61 0.054 2.215 -8.941 1.00 43.11 C ATOM 907 CE2 PHE A 61 -0.547 1.564 -6.667 1.00 14.32 C ATOM 908 CZ PHE A 61 -0.536 1.305 -8.051 1.00 63.21 C ATOM 0 H PHE A 61 1.644 5.508 -4.295 1.00 1.43 H new ATOM 0 HA PHE A 61 2.898 4.428 -6.689 1.00 24.03 H new ATOM 0 HB2 PHE A 61 0.255 5.313 -5.715 1.00 64.22 H new ATOM 0 HB3 PHE A 61 0.569 5.820 -7.363 1.00 64.22 H new ATOM 0 HD1 PHE A 61 0.999 4.147 -9.146 1.00 61.01 H new ATOM 0 HD2 PHE A 61 0.030 2.961 -5.121 1.00 53.15 H new ATOM 0 HE1 PHE A 61 0.119 1.978 -9.993 1.00 43.11 H new ATOM 0 HE2 PHE A 61 -0.969 0.843 -5.982 1.00 14.32 H new ATOM 0 HZ PHE A 61 -0.985 0.399 -8.430 1.00 63.21 H new ATOM 917 N VAL A 62 2.901 6.608 -8.219 1.00 2.41 N ATOM 918 CA VAL A 62 3.332 7.786 -8.954 1.00 65.01 C ATOM 919 C VAL A 62 2.139 8.734 -9.120 1.00 42.25 C ATOM 920 O VAL A 62 2.303 9.957 -9.126 1.00 24.32 O ATOM 921 CB VAL A 62 3.925 7.317 -10.298 1.00 54.44 C ATOM 922 CG1 VAL A 62 4.202 8.493 -11.228 1.00 41.12 C ATOM 923 CG2 VAL A 62 5.228 6.532 -10.063 1.00 25.30 C ATOM 0 H VAL A 62 2.619 5.833 -8.819 1.00 2.41 H new ATOM 0 HA VAL A 62 4.105 8.341 -8.423 1.00 65.01 H new ATOM 0 HB VAL A 62 3.188 6.669 -10.772 1.00 54.44 H new ATOM 0 HG11 VAL A 62 4.619 8.125 -12.165 1.00 41.12 H new ATOM 0 HG12 VAL A 62 3.272 9.025 -11.429 1.00 41.12 H new ATOM 0 HG13 VAL A 62 4.913 9.171 -10.756 1.00 41.12 H new ATOM 0 HG21 VAL A 62 5.635 6.207 -11.021 1.00 25.30 H new ATOM 0 HG22 VAL A 62 5.952 7.172 -9.559 1.00 25.30 H new ATOM 0 HG23 VAL A 62 5.021 5.660 -9.443 1.00 25.30 H new ATOM 933 N ASP A 63 0.931 8.174 -9.229 1.00 54.23 N ATOM 934 CA ASP A 63 -0.256 8.870 -9.663 1.00 64.41 C ATOM 935 C ASP A 63 -1.360 8.605 -8.662 1.00 14.43 C ATOM 936 O ASP A 63 -1.749 7.455 -8.448 1.00 11.44 O ATOM 937 CB ASP A 63 -0.781 8.276 -10.961 1.00 30.33 C ATOM 938 CG ASP A 63 -0.035 8.559 -12.258 1.00 51.52 C ATOM 939 OD1 ASP A 63 0.924 7.827 -12.587 1.00 3.34 O ATOM 940 OD2 ASP A 63 -0.468 9.472 -13.002 1.00 73.05 O ATOM 0 H ASP A 63 0.760 7.193 -9.008 1.00 54.23 H new ATOM 0 HA ASP A 63 -0.003 9.924 -9.772 1.00 64.41 H new ATOM 0 HB2 ASP A 63 -0.822 7.194 -10.835 1.00 30.33 H new ATOM 0 HB3 ASP A 63 -1.807 8.621 -11.090 1.00 30.33 H new ATOM 944 N VAL A 64 -1.882 9.665 -8.072 1.00 30.03 N ATOM 945 CA VAL A 64 -2.974 9.735 -7.091 1.00 53.35 C ATOM 946 C VAL A 64 -4.166 8.851 -7.518 1.00 32.31 C ATOM 947 O VAL A 64 -4.743 8.170 -6.677 1.00 62.15 O ATOM 948 CB VAL A 64 -3.350 11.218 -6.877 1.00 3.10 C ATOM 949 CG1 VAL A 64 -3.736 11.971 -8.166 1.00 74.35 C ATOM 950 CG2 VAL A 64 -4.471 11.364 -5.845 1.00 2.52 C ATOM 0 H VAL A 64 -1.523 10.596 -8.282 1.00 30.03 H new ATOM 0 HA VAL A 64 -2.650 9.330 -6.132 1.00 53.35 H new ATOM 0 HB VAL A 64 -2.437 11.683 -6.506 1.00 3.10 H new ATOM 0 HG11 VAL A 64 -3.985 13.004 -7.923 1.00 74.35 H new ATOM 0 HG12 VAL A 64 -2.898 11.954 -8.862 1.00 74.35 H new ATOM 0 HG13 VAL A 64 -4.599 11.488 -8.625 1.00 74.35 H new ATOM 0 HG21 VAL A 64 -4.713 12.419 -5.717 1.00 2.52 H new ATOM 0 HG22 VAL A 64 -5.355 10.829 -6.190 1.00 2.52 H new ATOM 0 HG23 VAL A 64 -4.144 10.948 -4.892 1.00 2.52 H new ATOM 960 N SER A 65 -4.472 8.713 -8.813 1.00 32.44 N ATOM 961 CA SER A 65 -5.633 7.940 -9.265 1.00 11.10 C ATOM 962 C SER A 65 -5.520 6.446 -8.932 1.00 43.44 C ATOM 963 O SER A 65 -6.516 5.733 -8.863 1.00 74.01 O ATOM 964 CB SER A 65 -5.798 8.145 -10.770 1.00 4.14 C ATOM 965 OG SER A 65 -5.828 9.532 -11.072 1.00 63.13 O ATOM 0 H SER A 65 -3.928 9.129 -9.569 1.00 32.44 H new ATOM 0 HA SER A 65 -6.512 8.302 -8.731 1.00 11.10 H new ATOM 0 HB2 SER A 65 -4.976 7.666 -11.303 1.00 4.14 H new ATOM 0 HB3 SER A 65 -6.718 7.670 -11.111 1.00 4.14 H new ATOM 0 HG SER A 65 -5.932 9.654 -12.039 1.00 63.13 H new ATOM 970 N SER A 66 -4.305 5.973 -8.659 1.00 30.21 N ATOM 971 CA SER A 66 -4.049 4.590 -8.298 1.00 64.03 C ATOM 972 C SER A 66 -4.476 4.251 -6.857 1.00 65.22 C ATOM 973 O SER A 66 -4.270 3.115 -6.435 1.00 11.12 O ATOM 974 CB SER A 66 -2.565 4.269 -8.499 1.00 73.25 C ATOM 975 OG SER A 66 -1.974 4.982 -9.580 1.00 5.41 O ATOM 0 H SER A 66 -3.465 6.550 -8.684 1.00 30.21 H new ATOM 0 HA SER A 66 -4.659 3.971 -8.956 1.00 64.03 H new ATOM 0 HB2 SER A 66 -2.023 4.500 -7.582 1.00 73.25 H new ATOM 0 HB3 SER A 66 -2.453 3.199 -8.675 1.00 73.25 H new ATOM 0 HG SER A 66 -1.698 5.871 -9.274 1.00 5.41 H new ATOM 980 N VAL A 67 -4.992 5.191 -6.050 1.00 70.02 N ATOM 981 CA VAL A 67 -5.492 4.867 -4.707 1.00 42.24 C ATOM 982 C VAL A 67 -6.658 3.872 -4.826 1.00 54.22 C ATOM 983 O VAL A 67 -6.499 2.730 -4.383 1.00 10.11 O ATOM 984 CB VAL A 67 -5.763 6.139 -3.868 1.00 50.52 C ATOM 985 CG1 VAL A 67 -6.387 5.780 -2.514 1.00 74.24 C ATOM 986 CG2 VAL A 67 -4.436 6.887 -3.640 1.00 23.12 C ATOM 0 H VAL A 67 -5.073 6.176 -6.303 1.00 70.02 H new ATOM 0 HA VAL A 67 -4.725 4.356 -4.126 1.00 42.24 H new ATOM 0 HB VAL A 67 -6.463 6.773 -4.412 1.00 50.52 H new ATOM 0 HG11 VAL A 67 -6.568 6.691 -1.944 1.00 74.24 H new ATOM 0 HG12 VAL A 67 -7.331 5.260 -2.675 1.00 74.24 H new ATOM 0 HG13 VAL A 67 -5.706 5.134 -1.960 1.00 74.24 H new ATOM 0 HG21 VAL A 67 -4.621 7.784 -3.049 1.00 23.12 H new ATOM 0 HG22 VAL A 67 -3.740 6.239 -3.107 1.00 23.12 H new ATOM 0 HG23 VAL A 67 -4.007 7.168 -4.602 1.00 23.12 H new ATOM 996 N PRO A 68 -7.778 4.212 -5.490 1.00 2.52 N ATOM 997 CA PRO A 68 -8.868 3.266 -5.689 1.00 3.20 C ATOM 998 C PRO A 68 -8.474 2.036 -6.520 1.00 43.13 C ATOM 999 O PRO A 68 -9.158 1.015 -6.429 1.00 32.41 O ATOM 1000 CB PRO A 68 -10.015 4.075 -6.306 1.00 34.30 C ATOM 1001 CG PRO A 68 -9.330 5.290 -6.925 1.00 73.44 C ATOM 1002 CD PRO A 68 -8.154 5.528 -5.989 1.00 34.04 C ATOM 0 HA PRO A 68 -9.170 2.824 -4.740 1.00 3.20 H new ATOM 0 HB2 PRO A 68 -10.551 3.495 -7.057 1.00 34.30 H new ATOM 0 HB3 PRO A 68 -10.744 4.371 -5.551 1.00 34.30 H new ATOM 0 HG2 PRO A 68 -9.001 5.093 -7.945 1.00 73.44 H new ATOM 0 HG3 PRO A 68 -9.995 6.152 -6.966 1.00 73.44 H new ATOM 0 HD2 PRO A 68 -7.324 6.000 -6.515 1.00 34.04 H new ATOM 0 HD3 PRO A 68 -8.432 6.193 -5.171 1.00 34.04 H new ATOM 1007 N LEU A 69 -7.366 2.072 -7.279 1.00 51.12 N ATOM 1008 CA LEU A 69 -6.863 0.885 -7.963 1.00 52.12 C ATOM 1009 C LEU A 69 -6.548 -0.215 -6.954 1.00 41.41 C ATOM 1010 O LEU A 69 -7.117 -1.297 -7.069 1.00 61.43 O ATOM 1011 CB LEU A 69 -5.643 1.211 -8.831 1.00 41.35 C ATOM 1012 CG LEU A 69 -5.098 0.028 -9.636 1.00 50.44 C ATOM 1013 CD1 LEU A 69 -6.176 -0.680 -10.463 1.00 61.14 C ATOM 1014 CD2 LEU A 69 -3.994 0.616 -10.521 1.00 65.32 C ATOM 0 H LEU A 69 -6.808 2.912 -7.430 1.00 51.12 H new ATOM 0 HA LEU A 69 -7.644 0.523 -8.632 1.00 52.12 H new ATOM 0 HB2 LEU A 69 -5.908 2.012 -9.521 1.00 41.35 H new ATOM 0 HB3 LEU A 69 -4.849 1.593 -8.190 1.00 41.35 H new ATOM 0 HG LEU A 69 -4.718 -0.750 -8.973 1.00 50.44 H new ATOM 0 HD11 LEU A 69 -5.728 -1.509 -11.011 1.00 61.14 H new ATOM 0 HD12 LEU A 69 -6.952 -1.061 -9.799 1.00 61.14 H new ATOM 0 HD13 LEU A 69 -6.616 0.026 -11.168 1.00 61.14 H new ATOM 0 HD21 LEU A 69 -3.555 -0.175 -11.129 1.00 65.32 H new ATOM 0 HD22 LEU A 69 -4.418 1.381 -11.172 1.00 65.32 H new ATOM 0 HD23 LEU A 69 -3.223 1.061 -9.893 1.00 65.32 H new ATOM 1025 N ALA A 70 -5.687 0.061 -5.967 1.00 42.15 N ATOM 1026 CA ALA A 70 -5.276 -0.915 -4.964 1.00 63.31 C ATOM 1027 C ALA A 70 -6.481 -1.467 -4.200 1.00 14.34 C ATOM 1028 O ALA A 70 -6.548 -2.671 -3.951 1.00 73.04 O ATOM 1029 CB ALA A 70 -4.265 -0.275 -4.004 1.00 61.02 C ATOM 0 H ALA A 70 -5.255 0.977 -5.846 1.00 42.15 H new ATOM 0 HA ALA A 70 -4.801 -1.755 -5.471 1.00 63.31 H new ATOM 0 HB1 ALA A 70 -3.960 -1.007 -3.256 1.00 61.02 H new ATOM 0 HB2 ALA A 70 -3.391 0.057 -4.564 1.00 61.02 H new ATOM 0 HB3 ALA A 70 -4.725 0.580 -3.509 1.00 61.02 H new ATOM 1035 N ILE A 71 -7.441 -0.599 -3.864 1.00 1.11 N ATOM 1036 CA ILE A 71 -8.697 -0.961 -3.210 1.00 53.43 C ATOM 1037 C ILE A 71 -9.419 -2.017 -4.054 1.00 71.33 C ATOM 1038 O ILE A 71 -9.825 -3.052 -3.522 1.00 5.13 O ATOM 1039 CB ILE A 71 -9.544 0.312 -2.965 1.00 62.23 C ATOM 1040 CG1 ILE A 71 -8.794 1.272 -2.009 1.00 13.24 C ATOM 1041 CG2 ILE A 71 -10.934 -0.017 -2.399 1.00 32.21 C ATOM 1042 CD1 ILE A 71 -9.529 2.592 -1.746 1.00 33.34 C ATOM 0 H ILE A 71 -7.361 0.401 -4.046 1.00 1.11 H new ATOM 0 HA ILE A 71 -8.512 -1.404 -2.232 1.00 53.43 H new ATOM 0 HB ILE A 71 -9.692 0.797 -3.930 1.00 62.23 H new ATOM 0 HG12 ILE A 71 -8.628 0.765 -1.058 1.00 13.24 H new ATOM 0 HG13 ILE A 71 -7.812 1.492 -2.429 1.00 13.24 H new ATOM 0 HG21 ILE A 71 -11.491 0.907 -2.244 1.00 32.21 H new ATOM 0 HG22 ILE A 71 -11.472 -0.652 -3.103 1.00 32.21 H new ATOM 0 HG23 ILE A 71 -10.825 -0.540 -1.449 1.00 32.21 H new ATOM 0 HD11 ILE A 71 -8.939 3.208 -1.068 1.00 33.34 H new ATOM 0 HD12 ILE A 71 -9.672 3.123 -2.687 1.00 33.34 H new ATOM 0 HD13 ILE A 71 -10.500 2.384 -1.296 1.00 33.34 H new ATOM 1053 N GLY A 72 -9.526 -1.788 -5.366 1.00 43.11 N ATOM 1054 CA GLY A 72 -10.197 -2.682 -6.295 1.00 50.25 C ATOM 1055 C GLY A 72 -9.659 -4.111 -6.286 1.00 72.35 C ATOM 1056 O GLY A 72 -10.350 -5.042 -6.708 1.00 52.45 O ATOM 0 H GLY A 72 -9.139 -0.958 -5.814 1.00 43.11 H new ATOM 0 HA2 GLY A 72 -11.260 -2.704 -6.057 1.00 50.25 H new ATOM 0 HA3 GLY A 72 -10.105 -2.277 -7.303 1.00 50.25 H new ATOM 1060 N LEU A 73 -8.424 -4.316 -5.835 1.00 64.01 N ATOM 1061 CA LEU A 73 -7.744 -5.602 -5.902 1.00 70.32 C ATOM 1062 C LEU A 73 -7.813 -6.351 -4.573 1.00 62.01 C ATOM 1063 O LEU A 73 -7.136 -7.365 -4.433 1.00 72.04 O ATOM 1064 CB LEU A 73 -6.310 -5.412 -6.411 1.00 64.01 C ATOM 1065 CG LEU A 73 -6.245 -4.613 -7.726 1.00 63.15 C ATOM 1066 CD1 LEU A 73 -4.811 -4.582 -8.224 1.00 72.32 C ATOM 1067 CD2 LEU A 73 -7.147 -5.154 -8.840 1.00 65.41 C ATOM 0 H LEU A 73 -7.861 -3.581 -5.407 1.00 64.01 H new ATOM 0 HA LEU A 73 -8.264 -6.237 -6.620 1.00 70.32 H new ATOM 0 HB2 LEU A 73 -5.724 -4.898 -5.649 1.00 64.01 H new ATOM 0 HB3 LEU A 73 -5.850 -6.389 -6.561 1.00 64.01 H new ATOM 0 HG LEU A 73 -6.613 -3.614 -7.490 1.00 63.15 H new ATOM 0 HD11 LEU A 73 -4.761 -4.017 -9.155 1.00 72.32 H new ATOM 0 HD12 LEU A 73 -4.176 -4.106 -7.476 1.00 72.32 H new ATOM 0 HD13 LEU A 73 -4.464 -5.601 -8.399 1.00 72.32 H new ATOM 0 HD21 LEU A 73 -7.039 -4.533 -9.729 1.00 65.41 H new ATOM 0 HD22 LEU A 73 -6.859 -6.178 -9.076 1.00 65.41 H new ATOM 0 HD23 LEU A 73 -8.185 -5.136 -8.508 1.00 65.41 H new ATOM 1078 N THR A 74 -8.657 -5.916 -3.625 1.00 70.15 N ATOM 1079 CA THR A 74 -8.853 -6.568 -2.328 1.00 61.12 C ATOM 1080 C THR A 74 -9.095 -8.089 -2.425 1.00 5.50 C ATOM 1081 O THR A 74 -8.781 -8.817 -1.484 1.00 74.24 O ATOM 1082 CB THR A 74 -9.934 -5.829 -1.515 1.00 63.24 C ATOM 1083 OG1 THR A 74 -9.943 -6.313 -0.186 1.00 10.14 O ATOM 1084 CG2 THR A 74 -11.338 -5.982 -2.113 1.00 41.23 C ATOM 0 H THR A 74 -9.233 -5.083 -3.745 1.00 70.15 H new ATOM 0 HA THR A 74 -7.913 -6.489 -1.782 1.00 61.12 H new ATOM 0 HB THR A 74 -9.680 -4.769 -1.541 1.00 63.24 H new ATOM 0 HG1 THR A 74 -9.065 -6.690 0.031 1.00 10.14 H new ATOM 0 HG21 THR A 74 -12.057 -5.440 -1.498 1.00 41.23 H new ATOM 0 HG22 THR A 74 -11.349 -5.577 -3.125 1.00 41.23 H new ATOM 0 HG23 THR A 74 -11.608 -7.038 -2.142 1.00 41.23 H new ATOM 1092 N GLY A 75 -9.628 -8.571 -3.551 1.00 14.33 N ATOM 1093 CA GLY A 75 -9.992 -9.969 -3.741 1.00 62.13 C ATOM 1094 C GLY A 75 -8.907 -10.823 -4.395 1.00 65.55 C ATOM 1095 O GLY A 75 -9.052 -12.047 -4.469 1.00 73.44 O ATOM 0 H GLY A 75 -9.820 -7.988 -4.366 1.00 14.33 H new ATOM 0 HA2 GLY A 75 -10.242 -10.401 -2.772 1.00 62.13 H new ATOM 0 HA3 GLY A 75 -10.893 -10.017 -4.353 1.00 62.13 H new ATOM 1099 N GLN A 76 -7.831 -10.213 -4.893 1.00 21.13 N ATOM 1100 CA GLN A 76 -6.683 -10.964 -5.381 1.00 11.30 C ATOM 1101 C GLN A 76 -5.891 -11.463 -4.176 1.00 62.43 C ATOM 1102 O GLN A 76 -6.094 -10.987 -3.060 1.00 5.11 O ATOM 1103 CB GLN A 76 -5.849 -10.095 -6.321 1.00 61.51 C ATOM 1104 CG GLN A 76 -6.715 -9.610 -7.486 1.00 43.32 C ATOM 1105 CD GLN A 76 -5.944 -9.088 -8.691 1.00 24.34 C ATOM 1106 OE1 GLN A 76 -4.719 -9.041 -8.740 1.00 10.24 O ATOM 1107 NE2 GLN A 76 -6.674 -8.719 -9.723 1.00 13.11 N ATOM 0 H GLN A 76 -7.734 -9.200 -4.967 1.00 21.13 H new ATOM 0 HA GLN A 76 -6.999 -11.830 -5.963 1.00 11.30 H new ATOM 0 HB2 GLN A 76 -5.444 -9.241 -5.778 1.00 61.51 H new ATOM 0 HB3 GLN A 76 -5.000 -10.664 -6.700 1.00 61.51 H new ATOM 0 HG2 GLN A 76 -7.353 -10.432 -7.811 1.00 43.32 H new ATOM 0 HG3 GLN A 76 -7.373 -8.819 -7.125 1.00 43.32 H new ATOM 0 HE21 GLN A 76 -7.692 -8.763 -9.670 1.00 13.11 H new ATOM 0 HE22 GLN A 76 -6.222 -8.389 -10.576 1.00 13.11 H new ATOM 1114 N ARG A 77 -5.008 -12.439 -4.382 1.00 44.41 N ATOM 1115 CA ARG A 77 -4.197 -13.010 -3.315 1.00 50.04 C ATOM 1116 C ARG A 77 -2.897 -13.573 -3.872 1.00 24.52 C ATOM 1117 O ARG A 77 -2.699 -14.786 -3.919 1.00 30.32 O ATOM 1118 CB ARG A 77 -4.977 -14.069 -2.530 1.00 50.35 C ATOM 1119 CG ARG A 77 -5.666 -15.150 -3.395 1.00 52.24 C ATOM 1120 CD ARG A 77 -5.712 -16.472 -2.624 1.00 3.33 C ATOM 1121 NE ARG A 77 -6.525 -17.515 -3.288 1.00 21.53 N ATOM 1122 CZ ARG A 77 -7.045 -18.594 -2.678 1.00 3.03 C ATOM 1123 NH1 ARG A 77 -6.855 -18.782 -1.374 1.00 13.04 N ATOM 1124 NH2 ARG A 77 -7.752 -19.491 -3.358 1.00 24.22 N ATOM 0 H ARG A 77 -4.837 -12.855 -5.297 1.00 44.41 H new ATOM 0 HA ARG A 77 -3.944 -12.212 -2.617 1.00 50.04 H new ATOM 0 HB2 ARG A 77 -4.295 -14.561 -1.836 1.00 50.35 H new ATOM 0 HB3 ARG A 77 -5.736 -13.568 -1.929 1.00 50.35 H new ATOM 0 HG2 ARG A 77 -6.676 -14.833 -3.654 1.00 52.24 H new ATOM 0 HG3 ARG A 77 -5.123 -15.282 -4.331 1.00 52.24 H new ATOM 0 HD2 ARG A 77 -4.695 -16.843 -2.494 1.00 3.33 H new ATOM 0 HD3 ARG A 77 -6.114 -16.289 -1.628 1.00 3.33 H new ATOM 0 HE ARG A 77 -6.705 -17.407 -4.286 1.00 21.53 H new ATOM 0 HH11 ARG A 77 -6.314 -18.106 -0.835 1.00 13.04 H new ATOM 0 HH12 ARG A 77 -7.251 -19.602 -0.914 1.00 13.04 H new ATOM 0 HH21 ARG A 77 -7.907 -19.366 -4.358 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -8.139 -20.304 -2.879 1.00 24.22 H new ATOM 1135 N VAL A 78 -1.989 -12.673 -4.215 1.00 30.10 N ATOM 1136 CA VAL A 78 -0.664 -12.957 -4.758 1.00 30.33 C ATOM 1137 C VAL A 78 0.040 -13.928 -3.821 1.00 70.44 C ATOM 1138 O VAL A 78 0.477 -13.521 -2.751 1.00 33.10 O ATOM 1139 CB VAL A 78 0.113 -11.629 -4.949 1.00 72.34 C ATOM 1140 CG1 VAL A 78 1.633 -11.778 -5.161 1.00 73.22 C ATOM 1141 CG2 VAL A 78 -0.446 -10.890 -6.171 1.00 10.40 C ATOM 0 H VAL A 78 -2.162 -11.672 -4.118 1.00 30.10 H new ATOM 0 HA VAL A 78 -0.728 -13.426 -5.740 1.00 30.33 H new ATOM 0 HB VAL A 78 -0.025 -11.086 -4.014 1.00 72.34 H new ATOM 0 HG11 VAL A 78 2.082 -10.792 -5.284 1.00 73.22 H new ATOM 0 HG12 VAL A 78 2.074 -12.272 -4.295 1.00 73.22 H new ATOM 0 HG13 VAL A 78 1.819 -12.375 -6.054 1.00 73.22 H new ATOM 0 HG21 VAL A 78 0.097 -9.955 -6.310 1.00 10.40 H new ATOM 0 HG22 VAL A 78 -0.329 -11.513 -7.058 1.00 10.40 H new ATOM 0 HG23 VAL A 78 -1.503 -10.676 -6.015 1.00 10.40 H new ATOM 1151 N LEU A 79 0.124 -15.212 -4.182 1.00 74.15 N ATOM 1152 CA LEU A 79 0.786 -16.241 -3.379 1.00 65.51 C ATOM 1153 C LEU A 79 0.231 -16.302 -1.948 1.00 30.51 C ATOM 1154 O LEU A 79 0.968 -16.640 -1.019 1.00 32.30 O ATOM 1155 CB LEU A 79 2.313 -16.022 -3.379 1.00 12.12 C ATOM 1156 CG LEU A 79 2.975 -15.784 -4.746 1.00 41.14 C ATOM 1157 CD1 LEU A 79 4.394 -15.255 -4.525 1.00 42.02 C ATOM 1158 CD2 LEU A 79 2.993 -17.066 -5.585 1.00 43.31 C ATOM 0 H LEU A 79 -0.271 -15.569 -5.052 1.00 74.15 H new ATOM 0 HA LEU A 79 0.575 -17.207 -3.838 1.00 65.51 H new ATOM 0 HB2 LEU A 79 2.534 -15.167 -2.740 1.00 12.12 H new ATOM 0 HB3 LEU A 79 2.782 -16.893 -2.921 1.00 12.12 H new ATOM 0 HG LEU A 79 2.395 -15.047 -5.301 1.00 41.14 H new ATOM 0 HD11 LEU A 79 4.872 -15.083 -5.489 1.00 42.02 H new ATOM 0 HD12 LEU A 79 4.351 -14.318 -3.969 1.00 42.02 H new ATOM 0 HD13 LEU A 79 4.971 -15.986 -3.959 1.00 42.02 H new ATOM 0 HD21 LEU A 79 3.467 -16.865 -6.546 1.00 43.31 H new ATOM 0 HD22 LEU A 79 3.553 -17.838 -5.058 1.00 43.31 H new ATOM 0 HD23 LEU A 79 1.971 -17.408 -5.749 1.00 43.31 H new ATOM 1169 N GLY A 80 -1.046 -15.955 -1.747 1.00 43.44 N ATOM 1170 CA GLY A 80 -1.646 -15.872 -0.422 1.00 65.11 C ATOM 1171 C GLY A 80 -1.357 -14.541 0.282 1.00 14.23 C ATOM 1172 O GLY A 80 -1.294 -14.502 1.511 1.00 54.15 O ATOM 0 H GLY A 80 -1.689 -15.724 -2.505 1.00 43.44 H new ATOM 0 HA2 GLY A 80 -2.724 -16.005 -0.508 1.00 65.11 H new ATOM 0 HA3 GLY A 80 -1.272 -16.691 0.193 1.00 65.11 H new ATOM 1176 N VAL A 81 -1.182 -13.454 -0.475 1.00 61.32 N ATOM 1177 CA VAL A 81 -0.991 -12.093 0.018 1.00 24.51 C ATOM 1178 C VAL A 81 -2.048 -11.176 -0.625 1.00 10.01 C ATOM 1179 O VAL A 81 -1.757 -10.487 -1.605 1.00 25.34 O ATOM 1180 CB VAL A 81 0.460 -11.629 -0.226 1.00 10.41 C ATOM 1181 CG1 VAL A 81 0.719 -10.257 0.402 1.00 33.30 C ATOM 1182 CG2 VAL A 81 1.459 -12.623 0.389 1.00 12.20 C ATOM 0 H VAL A 81 -1.170 -13.504 -1.494 1.00 61.32 H new ATOM 0 HA VAL A 81 -1.137 -12.051 1.097 1.00 24.51 H new ATOM 0 HB VAL A 81 0.596 -11.572 -1.306 1.00 10.41 H new ATOM 0 HG11 VAL A 81 1.750 -9.959 0.212 1.00 33.30 H new ATOM 0 HG12 VAL A 81 0.043 -9.523 -0.036 1.00 33.30 H new ATOM 0 HG13 VAL A 81 0.549 -10.311 1.477 1.00 33.30 H new ATOM 0 HG21 VAL A 81 2.476 -12.277 0.206 1.00 12.20 H new ATOM 0 HG22 VAL A 81 1.288 -12.693 1.463 1.00 12.20 H new ATOM 0 HG23 VAL A 81 1.322 -13.604 -0.065 1.00 12.20 H new ATOM 1192 N PRO A 82 -3.286 -11.174 -0.110 1.00 72.42 N ATOM 1193 CA PRO A 82 -4.333 -10.231 -0.499 1.00 41.13 C ATOM 1194 C PRO A 82 -4.075 -8.819 0.057 1.00 21.11 C ATOM 1195 O PRO A 82 -3.010 -8.533 0.618 1.00 25.32 O ATOM 1196 CB PRO A 82 -5.626 -10.851 0.043 1.00 50.23 C ATOM 1197 CG PRO A 82 -5.146 -11.559 1.297 1.00 21.42 C ATOM 1198 CD PRO A 82 -3.771 -12.080 0.920 1.00 22.11 C ATOM 0 HA PRO A 82 -4.377 -10.085 -1.578 1.00 41.13 H new ATOM 0 HB2 PRO A 82 -6.377 -10.094 0.266 1.00 50.23 H new ATOM 0 HB3 PRO A 82 -6.074 -11.544 -0.669 1.00 50.23 H new ATOM 0 HG2 PRO A 82 -5.096 -10.877 2.146 1.00 21.42 H new ATOM 0 HG3 PRO A 82 -5.817 -12.370 1.579 1.00 21.42 H new ATOM 0 HD2 PRO A 82 -3.104 -12.089 1.782 1.00 22.11 H new ATOM 0 HD3 PRO A 82 -3.826 -13.104 0.549 1.00 22.11 H new ATOM 1203 N ILE A 83 -5.044 -7.911 -0.098 1.00 42.02 N ATOM 1204 CA ILE A 83 -4.988 -6.541 0.404 1.00 11.40 C ATOM 1205 C ILE A 83 -6.341 -6.162 1.015 1.00 14.43 C ATOM 1206 O ILE A 83 -7.385 -6.606 0.543 1.00 74.21 O ATOM 1207 CB ILE A 83 -4.506 -5.582 -0.715 1.00 71.23 C ATOM 1208 CG1 ILE A 83 -4.507 -4.136 -0.181 1.00 62.32 C ATOM 1209 CG2 ILE A 83 -5.311 -5.663 -2.031 1.00 34.42 C ATOM 1210 CD1 ILE A 83 -3.621 -3.180 -0.966 1.00 5.33 C ATOM 0 H ILE A 83 -5.913 -8.118 -0.591 1.00 42.02 H new ATOM 0 HA ILE A 83 -4.254 -6.454 1.205 1.00 11.40 H new ATOM 0 HB ILE A 83 -3.498 -5.905 -0.977 1.00 71.23 H new ATOM 0 HG12 ILE A 83 -5.529 -3.758 -0.191 1.00 62.32 H new ATOM 0 HG13 ILE A 83 -4.181 -4.145 0.859 1.00 62.32 H new ATOM 0 HG21 ILE A 83 -4.901 -4.957 -2.753 1.00 34.42 H new ATOM 0 HG22 ILE A 83 -5.247 -6.673 -2.435 1.00 34.42 H new ATOM 0 HG23 ILE A 83 -6.354 -5.416 -1.835 1.00 34.42 H new ATOM 0 HD11 ILE A 83 -3.679 -2.185 -0.525 1.00 5.33 H new ATOM 0 HD12 ILE A 83 -2.590 -3.531 -0.935 1.00 5.33 H new ATOM 0 HD13 ILE A 83 -3.959 -3.138 -2.001 1.00 5.33 H new ATOM 1221 N ILE A 84 -6.335 -5.333 2.062 1.00 51.12 N ATOM 1222 CA ILE A 84 -7.539 -4.736 2.629 1.00 3.41 C ATOM 1223 C ILE A 84 -7.804 -3.438 1.858 1.00 71.03 C ATOM 1224 O ILE A 84 -6.873 -2.674 1.603 1.00 54.33 O ATOM 1225 CB ILE A 84 -7.333 -4.451 4.140 1.00 10.13 C ATOM 1226 CG1 ILE A 84 -6.875 -5.681 4.956 1.00 52.33 C ATOM 1227 CG2 ILE A 84 -8.592 -3.859 4.793 1.00 41.21 C ATOM 1228 CD1 ILE A 84 -7.860 -6.849 5.002 1.00 64.35 C ATOM 0 H ILE A 84 -5.480 -5.056 2.544 1.00 51.12 H new ATOM 0 HA ILE A 84 -8.391 -5.410 2.540 1.00 3.41 H new ATOM 0 HB ILE A 84 -6.526 -3.719 4.166 1.00 10.13 H new ATOM 0 HG12 ILE A 84 -5.933 -6.040 4.540 1.00 52.33 H new ATOM 0 HG13 ILE A 84 -6.671 -5.361 5.978 1.00 52.33 H new ATOM 0 HG21 ILE A 84 -8.401 -3.676 5.850 1.00 41.21 H new ATOM 0 HG22 ILE A 84 -8.849 -2.920 4.303 1.00 41.21 H new ATOM 0 HG23 ILE A 84 -9.420 -4.561 4.690 1.00 41.21 H new ATOM 0 HD11 ILE A 84 -7.439 -7.657 5.600 1.00 64.35 H new ATOM 0 HD12 ILE A 84 -8.797 -6.517 5.449 1.00 64.35 H new ATOM 0 HD13 ILE A 84 -8.048 -7.207 3.990 1.00 64.35 H new ATOM 1239 N VAL A 85 -9.073 -3.145 1.593 1.00 3.53 N ATOM 1240 CA VAL A 85 -9.626 -1.931 0.980 1.00 72.31 C ATOM 1241 C VAL A 85 -9.287 -0.603 1.696 1.00 45.23 C ATOM 1242 O VAL A 85 -9.730 0.457 1.263 1.00 32.32 O ATOM 1243 CB VAL A 85 -11.157 -2.131 0.905 1.00 54.14 C ATOM 1244 CG1 VAL A 85 -11.524 -3.341 0.051 1.00 71.33 C ATOM 1245 CG2 VAL A 85 -11.813 -2.280 2.290 1.00 12.23 C ATOM 0 H VAL A 85 -9.813 -3.809 1.821 1.00 3.53 H new ATOM 0 HA VAL A 85 -9.162 -1.816 0.001 1.00 72.31 H new ATOM 0 HB VAL A 85 -11.544 -1.223 0.441 1.00 54.14 H new ATOM 0 HG11 VAL A 85 -12.608 -3.450 0.021 1.00 71.33 H new ATOM 0 HG12 VAL A 85 -11.146 -3.200 -0.961 1.00 71.33 H new ATOM 0 HG13 VAL A 85 -11.081 -4.239 0.482 1.00 71.33 H new ATOM 0 HG21 VAL A 85 -12.888 -2.417 2.171 1.00 12.23 H new ATOM 0 HG22 VAL A 85 -11.391 -3.145 2.801 1.00 12.23 H new ATOM 0 HG23 VAL A 85 -11.625 -1.383 2.880 1.00 12.23 H new ATOM 1255 N GLN A 86 -8.531 -0.654 2.793 1.00 61.43 N ATOM 1256 CA GLN A 86 -8.287 0.440 3.724 1.00 72.11 C ATOM 1257 C GLN A 86 -7.729 1.694 3.072 1.00 50.15 C ATOM 1258 O GLN A 86 -8.255 2.773 3.344 1.00 53.53 O ATOM 1259 CB GLN A 86 -7.347 -0.047 4.841 1.00 50.21 C ATOM 1260 CG GLN A 86 -8.138 -0.594 6.036 1.00 14.41 C ATOM 1261 CD GLN A 86 -8.608 0.524 6.958 1.00 3.54 C ATOM 1262 OE1 GLN A 86 -9.779 0.894 6.955 1.00 74.21 O ATOM 1263 NE2 GLN A 86 -7.705 1.096 7.735 1.00 50.25 N ATOM 0 H GLN A 86 -8.047 -1.509 3.068 1.00 61.43 H new ATOM 0 HA GLN A 86 -9.255 0.729 4.133 1.00 72.11 H new ATOM 0 HB2 GLN A 86 -6.688 -0.823 4.452 1.00 50.21 H new ATOM 0 HB3 GLN A 86 -6.711 0.776 5.169 1.00 50.21 H new ATOM 0 HG2 GLN A 86 -9.000 -1.156 5.676 1.00 14.41 H new ATOM 0 HG3 GLN A 86 -7.515 -1.291 6.597 1.00 14.41 H new ATOM 0 HE21 GLN A 86 -6.739 0.770 7.719 1.00 50.25 H new ATOM 0 HE22 GLN A 86 -7.974 1.863 8.351 1.00 50.25 H new ATOM 1270 N ALA A 87 -6.656 1.569 2.279 1.00 22.10 N ATOM 1271 CA ALA A 87 -5.800 2.671 1.883 1.00 41.14 C ATOM 1272 C ALA A 87 -5.102 3.274 3.111 1.00 62.35 C ATOM 1273 O ALA A 87 -5.408 2.934 4.258 1.00 51.53 O ATOM 1274 CB ALA A 87 -6.629 3.657 1.048 1.00 73.14 C ATOM 0 H ALA A 87 -6.361 0.673 1.891 1.00 22.10 H new ATOM 0 HA ALA A 87 -4.983 2.338 1.243 1.00 41.14 H new ATOM 0 HB1 ALA A 87 -6.000 4.493 0.742 1.00 73.14 H new ATOM 0 HB2 ALA A 87 -7.015 3.150 0.164 1.00 73.14 H new ATOM 0 HB3 ALA A 87 -7.461 4.029 1.645 1.00 73.14 H new ATOM 1280 N SER A 88 -4.134 4.154 2.871 1.00 14.51 N ATOM 1281 CA SER A 88 -3.637 5.069 3.895 1.00 21.01 C ATOM 1282 C SER A 88 -4.177 6.433 3.506 1.00 53.32 C ATOM 1283 O SER A 88 -3.947 6.896 2.384 1.00 53.42 O ATOM 1284 CB SER A 88 -2.106 5.053 4.037 1.00 22.41 C ATOM 1285 OG SER A 88 -1.737 5.309 5.386 1.00 22.04 O ATOM 0 H SER A 88 -3.674 4.253 1.966 1.00 14.51 H new ATOM 0 HA SER A 88 -3.980 4.769 4.885 1.00 21.01 H new ATOM 0 HB2 SER A 88 -1.714 4.086 3.722 1.00 22.41 H new ATOM 0 HB3 SER A 88 -1.665 5.804 3.382 1.00 22.41 H new ATOM 0 HG SER A 88 -1.052 4.666 5.666 1.00 22.04 H new