USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 467 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 29 GLN : amide:sc= -0.381 K(o=-0.38,f=-1) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 164:sc= 0.0981 USER MOD Single : A 68 MET CE :methyl -151:sc= -0.474 (180deg=-1.57) USER MOD Single : A 71 THR OG1 : rot -150:sc= -2.23 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.656 -6.429 -1.077 1.00 0.00 N ATOM 184 CA LEU A 13 -3.888 -6.578 0.165 1.00 0.00 C ATOM 185 C LEU A 13 -2.384 -6.383 -0.072 1.00 0.00 C ATOM 186 O LEU A 13 -1.657 -5.989 0.838 1.00 0.00 O ATOM 187 CB LEU A 13 -4.151 -7.967 0.822 1.00 0.00 C ATOM 188 CG LEU A 13 -5.062 -8.814 -0.073 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.037 -10.267 0.404 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.508 -8.262 -0.028 1.00 0.00 C ATOM 0 HA LEU A 13 -4.227 -5.798 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.206 -8.485 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.613 -7.833 1.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.703 -8.769 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.685 -10.870 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.018 -10.650 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.390 -10.318 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.149 -8.869 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.879 -8.296 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.515 -7.231 -0.382 1.00 0.00 H new ATOM 202 N ARG A 14 -1.919 -6.682 -1.281 1.00 0.00 N ATOM 203 CA ARG A 14 -0.495 -6.555 -1.591 1.00 0.00 C ATOM 204 C ARG A 14 -0.077 -5.092 -1.770 1.00 0.00 C ATOM 205 O ARG A 14 1.006 -4.698 -1.339 1.00 0.00 O ATOM 206 CB ARG A 14 -0.164 -7.345 -2.867 1.00 0.00 C ATOM 207 CG ARG A 14 -0.087 -8.845 -2.550 1.00 0.00 C ATOM 208 CD ARG A 14 0.356 -9.619 -3.797 1.00 0.00 C ATOM 209 NE ARG A 14 -0.326 -9.122 -4.988 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.404 -9.858 -6.092 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.150 -11.040 -6.129 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.030 -9.399 -7.141 1.00 0.00 N ATOM 0 H ARG A 14 -2.497 -7.010 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 14 0.062 -6.962 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.926 -7.164 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.785 -7.003 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.616 -9.018 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.059 -9.205 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.434 -9.525 -3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.142 -10.680 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.750 -8.194 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.642 -11.398 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.090 -11.605 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.460 -8.474 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.089 -9.965 -7.988 1.00 0.00 H new ATOM 226 N ILE A 15 -0.921 -4.294 -2.419 1.00 0.00 N ATOM 227 CA ILE A 15 -0.591 -2.892 -2.650 1.00 0.00 C ATOM 228 C ILE A 15 -0.468 -2.125 -1.339 1.00 0.00 C ATOM 229 O ILE A 15 0.036 -1.002 -1.315 1.00 0.00 O ATOM 230 CB ILE A 15 -1.663 -2.248 -3.528 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.677 -2.940 -4.901 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.357 -0.757 -3.706 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.030 -2.719 -5.577 1.00 0.00 C ATOM 0 H ILE A 15 -1.825 -4.589 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 15 0.374 -2.851 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.638 -2.359 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.878 -2.543 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.489 -4.007 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.123 -0.301 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.347 -0.269 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.383 -0.640 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.035 -3.211 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.821 -3.137 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.200 -1.651 -5.710 1.00 0.00 H new ATOM 245 N ALA A 16 -0.926 -2.732 -0.248 1.00 0.00 N ATOM 246 CA ALA A 16 -0.857 -2.090 1.059 1.00 0.00 C ATOM 247 C ALA A 16 0.416 -2.483 1.785 1.00 0.00 C ATOM 248 O ALA A 16 0.842 -1.807 2.720 1.00 0.00 O ATOM 249 CB ALA A 16 -2.085 -2.449 1.892 1.00 0.00 C ATOM 0 H ALA A 16 -1.346 -3.661 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.842 -1.010 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.019 -1.962 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.985 -2.112 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.129 -3.529 2.029 1.00 0.00 H new ATOM 255 N LEU A 17 1.045 -3.557 1.335 1.00 0.00 N ATOM 256 CA LEU A 17 2.295 -3.988 1.940 1.00 0.00 C ATOM 257 C LEU A 17 3.377 -2.983 1.557 1.00 0.00 C ATOM 258 O LEU A 17 4.304 -2.719 2.322 1.00 0.00 O ATOM 259 CB LEU A 17 2.666 -5.409 1.453 1.00 0.00 C ATOM 260 CG LEU A 17 2.242 -6.482 2.484 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.203 -6.483 3.685 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.800 -6.220 2.968 1.00 0.00 C ATOM 0 H LEU A 17 0.717 -4.139 0.564 1.00 0.00 H new ATOM 0 HA LEU A 17 2.196 -4.029 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.181 -5.607 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.741 -5.469 1.283 1.00 0.00 H new ATOM 0 HG LEU A 17 2.282 -7.458 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.890 -7.243 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.214 -6.702 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.186 -5.505 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.515 -6.983 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.746 -5.237 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.119 -6.255 2.118 1.00 0.00 H new ATOM 274 N ALA A 18 3.233 -2.421 0.361 1.00 0.00 N ATOM 275 CA ALA A 18 4.181 -1.436 -0.136 1.00 0.00 C ATOM 276 C ALA A 18 4.316 -0.285 0.855 1.00 0.00 C ATOM 277 O ALA A 18 5.421 0.169 1.143 1.00 0.00 O ATOM 278 CB ALA A 18 3.707 -0.910 -1.494 1.00 0.00 C ATOM 0 H ALA A 18 2.468 -2.632 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 18 5.157 -1.907 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.417 -0.172 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.639 -1.737 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.727 -0.446 -1.383 1.00 0.00 H new ATOM 284 N ALA A 19 3.182 0.183 1.372 1.00 0.00 N ATOM 285 CA ALA A 19 3.195 1.284 2.338 1.00 0.00 C ATOM 286 C ALA A 19 4.338 1.091 3.334 1.00 0.00 C ATOM 287 O ALA A 19 4.990 2.050 3.744 1.00 0.00 O ATOM 288 CB ALA A 19 1.863 1.362 3.085 1.00 0.00 C ATOM 0 H ALA A 19 2.255 -0.175 1.144 1.00 0.00 H new ATOM 0 HA ALA A 19 3.344 2.217 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.893 2.186 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.055 1.528 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.690 0.427 3.618 1.00 0.00 H new ATOM 294 N ARG A 20 4.581 -0.164 3.698 1.00 0.00 N ATOM 295 CA ARG A 20 5.657 -0.485 4.625 1.00 0.00 C ATOM 296 C ARG A 20 6.995 -0.106 4.003 1.00 0.00 C ATOM 297 O ARG A 20 7.871 0.446 4.668 1.00 0.00 O ATOM 298 CB ARG A 20 5.636 -1.982 4.940 1.00 0.00 C ATOM 299 CG ARG A 20 6.506 -2.265 6.166 1.00 0.00 C ATOM 300 CD ARG A 20 6.429 -3.755 6.509 1.00 0.00 C ATOM 301 NE ARG A 20 5.139 -4.069 7.114 1.00 0.00 N ATOM 302 CZ ARG A 20 4.889 -3.785 8.389 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.800 -3.205 9.120 1.00 0.00 N ATOM 304 NH2 ARG A 20 3.729 -4.084 8.908 1.00 0.00 N ATOM 0 H ARG A 20 4.050 -0.970 3.367 1.00 0.00 H new ATOM 0 HA ARG A 20 5.519 0.076 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.613 -2.310 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.002 -2.548 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.539 -1.979 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.167 -1.667 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.570 -4.351 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.234 -4.019 7.195 1.00 0.00 H new ATOM 0 HE ARG A 20 4.416 -4.514 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.705 -2.969 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.607 -2.988 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.015 -4.535 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.536 -3.867 9.886 1.00 0.00 H new ATOM 318 N ALA A 21 7.136 -0.403 2.715 1.00 0.00 N ATOM 319 CA ALA A 21 8.357 -0.090 1.983 1.00 0.00 C ATOM 320 C ALA A 21 8.636 1.398 2.026 1.00 0.00 C ATOM 321 O ALA A 21 9.681 1.854 1.568 1.00 0.00 O ATOM 322 CB ALA A 21 8.198 -0.499 0.520 1.00 0.00 C ATOM 0 H ALA A 21 6.417 -0.862 2.156 1.00 0.00 H new ATOM 0 HA ALA A 21 9.180 -0.633 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.112 -0.264 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.005 -1.570 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.363 0.045 0.079 1.00 0.00 H new ATOM 328 N LEU A 22 7.689 2.157 2.566 1.00 0.00 N ATOM 329 CA LEU A 22 7.820 3.607 2.650 1.00 0.00 C ATOM 330 C LEU A 22 7.792 4.046 4.122 1.00 0.00 C ATOM 331 O LEU A 22 6.765 3.889 4.783 1.00 0.00 O ATOM 332 CB LEU A 22 6.644 4.266 1.914 1.00 0.00 C ATOM 333 CG LEU A 22 6.327 3.532 0.594 1.00 0.00 C ATOM 334 CD1 LEU A 22 5.019 4.084 0.012 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.476 3.729 -0.415 1.00 0.00 C ATOM 0 H LEU A 22 6.819 1.791 2.953 1.00 0.00 H new ATOM 0 HA LEU A 22 8.763 3.909 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.763 4.262 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.882 5.309 1.705 1.00 0.00 H new ATOM 0 HG LEU A 22 6.218 2.466 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.790 3.569 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.208 3.924 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.128 5.151 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.240 3.206 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.602 4.792 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.400 3.328 0.003 1.00 0.00 H new ATOM 347 N PRO A 23 8.865 4.580 4.664 1.00 0.00 N ATOM 348 CA PRO A 23 8.887 5.016 6.088 1.00 0.00 C ATOM 349 C PRO A 23 8.210 6.373 6.290 1.00 0.00 C ATOM 350 O PRO A 23 8.871 7.364 6.602 1.00 0.00 O ATOM 351 CB PRO A 23 10.382 5.078 6.414 1.00 0.00 C ATOM 352 CG PRO A 23 11.040 5.433 5.116 1.00 0.00 C ATOM 353 CD PRO A 23 10.165 4.831 4.004 1.00 0.00 C ATOM 0 HA PRO A 23 8.334 4.339 6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.590 5.825 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.744 4.123 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.120 6.514 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.053 5.033 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.060 5.518 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.597 3.911 3.611 1.00 0.00 H new ATOM 361 N GLY A 24 6.886 6.409 6.120 1.00 0.00 N ATOM 362 CA GLY A 24 6.131 7.650 6.299 1.00 0.00 C ATOM 363 C GLY A 24 4.893 7.695 5.405 1.00 0.00 C ATOM 364 O GLY A 24 3.794 8.000 5.869 1.00 0.00 O ATOM 0 H GLY A 24 6.320 5.601 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.830 7.745 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.773 8.502 6.074 1.00 0.00 H new ATOM 368 N THR A 25 5.079 7.409 4.122 1.00 0.00 N ATOM 369 CA THR A 25 3.968 7.441 3.173 1.00 0.00 C ATOM 370 C THR A 25 2.949 6.345 3.465 1.00 0.00 C ATOM 371 O THR A 25 3.308 5.187 3.680 1.00 0.00 O ATOM 372 CB THR A 25 4.492 7.261 1.751 1.00 0.00 C ATOM 373 OG1 THR A 25 5.595 8.132 1.537 1.00 0.00 O ATOM 374 CG2 THR A 25 3.381 7.581 0.752 1.00 0.00 C ATOM 0 H THR A 25 5.979 7.154 3.715 1.00 0.00 H new ATOM 0 HA THR A 25 3.477 8.409 3.275 1.00 0.00 H new ATOM 0 HB THR A 25 4.815 6.229 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.932 8.015 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.756 7.452 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.539 6.908 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.054 8.612 0.890 1.00 0.00 H new ATOM 382 N THR A 26 1.672 6.721 3.457 1.00 0.00 N ATOM 383 CA THR A 26 0.596 5.784 3.706 1.00 0.00 C ATOM 384 C THR A 26 0.229 5.051 2.413 1.00 0.00 C ATOM 385 O THR A 26 0.738 5.374 1.339 1.00 0.00 O ATOM 386 CB THR A 26 -0.614 6.566 4.249 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.157 7.780 4.828 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.335 5.749 5.314 1.00 0.00 C ATOM 0 H THR A 26 1.363 7.677 3.279 1.00 0.00 H new ATOM 0 HA THR A 26 0.908 5.039 4.438 1.00 0.00 H new ATOM 0 HB THR A 26 -1.303 6.772 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.922 8.285 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.188 6.313 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.683 4.811 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.650 5.537 6.135 1.00 0.00 H new ATOM 396 N VAL A 27 -0.646 4.060 2.529 1.00 0.00 N ATOM 397 CA VAL A 27 -1.066 3.281 1.368 1.00 0.00 C ATOM 398 C VAL A 27 -1.800 4.153 0.360 1.00 0.00 C ATOM 399 O VAL A 27 -1.356 4.325 -0.776 1.00 0.00 O ATOM 400 CB VAL A 27 -2.000 2.141 1.791 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.256 1.226 0.590 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.380 1.321 2.933 1.00 0.00 C ATOM 0 H VAL A 27 -1.077 3.777 3.409 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.165 2.874 0.910 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.938 2.571 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.920 0.414 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.720 1.800 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.310 0.812 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.061 0.518 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.433 0.894 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.205 1.968 3.792 1.00 0.00 H new ATOM 412 N GLY A 28 -2.940 4.684 0.779 1.00 0.00 N ATOM 413 CA GLY A 28 -3.751 5.517 -0.093 1.00 0.00 C ATOM 414 C GLY A 28 -3.110 6.878 -0.343 1.00 0.00 C ATOM 415 O GLY A 28 -3.762 7.778 -0.872 1.00 0.00 O ATOM 0 H GLY A 28 -3.322 4.552 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.901 5.007 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.736 5.657 0.353 1.00 0.00 H new ATOM 419 N GLN A 29 -1.839 7.040 0.034 1.00 0.00 N ATOM 420 CA GLN A 29 -1.156 8.320 -0.173 1.00 0.00 C ATOM 421 C GLN A 29 -0.277 8.264 -1.417 1.00 0.00 C ATOM 422 O GLN A 29 0.015 9.295 -2.024 1.00 0.00 O ATOM 423 CB GLN A 29 -0.300 8.662 1.059 1.00 0.00 C ATOM 424 CG GLN A 29 -1.184 9.272 2.152 1.00 0.00 C ATOM 425 CD GLN A 29 -1.561 10.703 1.778 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.559 10.924 1.092 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.817 11.693 2.189 1.00 0.00 N ATOM 0 H GLN A 29 -1.271 6.317 0.476 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.908 9.096 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.190 7.763 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.488 9.363 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.084 8.671 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.656 9.263 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.010 11.508 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.062 12.652 1.942 1.00 0.00 H new ATOM 436 N LEU A 30 0.150 7.061 -1.794 1.00 0.00 N ATOM 437 CA LEU A 30 1.007 6.903 -2.968 1.00 0.00 C ATOM 438 C LEU A 30 0.173 6.808 -4.243 1.00 0.00 C ATOM 439 O LEU A 30 0.680 7.037 -5.341 1.00 0.00 O ATOM 440 CB LEU A 30 1.880 5.649 -2.799 1.00 0.00 C ATOM 441 CG LEU A 30 2.688 5.357 -4.094 1.00 0.00 C ATOM 442 CD1 LEU A 30 4.092 4.848 -3.732 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.970 4.289 -4.945 1.00 0.00 C ATOM 0 H LEU A 30 -0.079 6.192 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 30 1.649 7.779 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.564 5.788 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.250 4.793 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 30 2.767 6.281 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.652 4.646 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.614 5.605 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.007 3.932 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.548 4.095 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.876 3.368 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.978 4.648 -5.219 1.00 0.00 H new ATOM 455 N LEU A 31 -1.109 6.473 -4.100 1.00 0.00 N ATOM 456 CA LEU A 31 -2.000 6.356 -5.257 1.00 0.00 C ATOM 457 C LEU A 31 -2.741 7.676 -5.482 1.00 0.00 C ATOM 458 O LEU A 31 -2.853 8.156 -6.610 1.00 0.00 O ATOM 459 CB LEU A 31 -3.008 5.213 -5.016 1.00 0.00 C ATOM 460 CG LEU A 31 -3.410 4.540 -6.344 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.912 5.602 -7.332 1.00 0.00 C ATOM 462 CD2 LEU A 31 -2.210 3.777 -6.954 1.00 0.00 C ATOM 0 H LEU A 31 -1.553 6.279 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.411 6.132 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.570 4.472 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.896 5.605 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.208 3.825 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.195 5.122 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.778 6.112 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.120 6.327 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.514 3.309 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.394 4.474 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.875 3.009 -6.257 1.00 0.00 H new ATOM 715 N LEU A 47 -1.101 0.322 -12.751 1.00 0.00 N ATOM 716 CA LEU A 47 0.065 0.800 -12.012 1.00 0.00 C ATOM 717 C LEU A 47 1.251 0.992 -12.957 1.00 0.00 C ATOM 718 O LEU A 47 2.101 1.853 -12.733 1.00 0.00 O ATOM 719 CB LEU A 47 0.434 -0.201 -10.905 1.00 0.00 C ATOM 720 CG LEU A 47 -0.473 -0.006 -9.673 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.129 1.306 -8.937 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.941 0.016 -10.118 1.00 0.00 C ATOM 0 HA LEU A 47 -0.180 1.760 -11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.333 -1.220 -11.280 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.478 -0.068 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.309 -0.836 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.783 1.420 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.909 1.276 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.270 2.150 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.583 0.154 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.097 0.837 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.188 -0.927 -10.605 1.00 0.00 H new ATOM 734 N GLN A 48 1.300 0.186 -14.013 1.00 0.00 N ATOM 735 CA GLN A 48 2.388 0.280 -14.985 1.00 0.00 C ATOM 736 C GLN A 48 2.092 1.364 -16.016 1.00 0.00 C ATOM 737 O GLN A 48 1.838 1.073 -17.186 1.00 0.00 O ATOM 738 CB GLN A 48 2.572 -1.062 -15.693 1.00 0.00 C ATOM 739 CG GLN A 48 2.819 -2.158 -14.655 1.00 0.00 C ATOM 740 CD GLN A 48 3.102 -3.483 -15.354 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.999 -3.565 -16.192 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.384 -4.532 -15.056 1.00 0.00 N ATOM 0 H GLN A 48 0.607 -0.534 -14.218 1.00 0.00 H new ATOM 0 HA GLN A 48 3.304 0.539 -14.454 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.686 -1.298 -16.283 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.411 -1.007 -16.386 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.662 -1.885 -14.019 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.949 -2.258 -14.006 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.641 -4.461 -14.361 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.566 -5.423 -15.518 1.00 0.00 H new ATOM 751 N GLY A 49 2.131 2.618 -15.576 1.00 0.00 N ATOM 752 CA GLY A 49 1.869 3.745 -16.467 1.00 0.00 C ATOM 753 C GLY A 49 2.565 5.001 -15.961 1.00 0.00 C ATOM 754 O GLY A 49 2.517 6.051 -16.604 1.00 0.00 O ATOM 0 H GLY A 49 2.340 2.879 -14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.218 3.509 -17.472 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.795 3.920 -16.535 1.00 0.00 H new ATOM 758 N VAL A 50 3.219 4.883 -14.806 1.00 0.00 N ATOM 759 CA VAL A 50 3.941 6.012 -14.206 1.00 0.00 C ATOM 760 C VAL A 50 5.406 5.622 -13.990 1.00 0.00 C ATOM 761 O VAL A 50 5.779 4.466 -14.185 1.00 0.00 O ATOM 762 CB VAL A 50 3.246 6.421 -12.872 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.917 5.765 -11.650 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.280 7.947 -12.705 1.00 0.00 C ATOM 0 H VAL A 50 3.266 4.019 -14.265 1.00 0.00 H new ATOM 0 HA VAL A 50 3.919 6.874 -14.872 1.00 0.00 H new ATOM 0 HB VAL A 50 2.215 6.072 -12.925 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.402 6.076 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.863 4.680 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.961 6.073 -11.599 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.792 8.222 -11.770 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.315 8.288 -12.688 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.757 8.416 -13.539 1.00 0.00 H new ATOM 774 N SER A 51 6.234 6.587 -13.588 1.00 0.00 N ATOM 775 CA SER A 51 7.659 6.332 -13.345 1.00 0.00 C ATOM 776 C SER A 51 7.961 6.560 -11.873 1.00 0.00 C ATOM 777 O SER A 51 7.188 7.220 -11.192 1.00 0.00 O ATOM 778 CB SER A 51 8.507 7.276 -14.199 1.00 0.00 C ATOM 779 OG SER A 51 7.954 7.348 -15.506 1.00 0.00 O ATOM 0 H SER A 51 5.946 7.551 -13.423 1.00 0.00 H new ATOM 0 HA SER A 51 7.897 5.303 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.535 8.268 -13.748 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.536 6.918 -14.246 1.00 0.00 H new ATOM 0 HG SER A 51 8.493 7.953 -16.057 1.00 0.00 H new ATOM 785 N VAL A 52 9.086 6.028 -11.393 1.00 0.00 N ATOM 786 CA VAL A 52 9.464 6.196 -9.987 1.00 0.00 C ATOM 787 C VAL A 52 9.466 7.682 -9.591 1.00 0.00 C ATOM 788 O VAL A 52 8.989 8.043 -8.516 1.00 0.00 O ATOM 789 CB VAL A 52 10.854 5.556 -9.732 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.585 6.264 -8.573 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.676 4.073 -9.375 1.00 0.00 C ATOM 0 H VAL A 52 9.745 5.483 -11.949 1.00 0.00 H new ATOM 0 HA VAL A 52 8.725 5.689 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 52 11.449 5.660 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.557 5.796 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.725 7.316 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.990 6.181 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.652 3.622 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.065 3.986 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.184 3.557 -10.199 1.00 0.00 H new ATOM 801 N THR A 53 10.028 8.526 -10.447 1.00 0.00 N ATOM 802 CA THR A 53 10.109 9.958 -10.154 1.00 0.00 C ATOM 803 C THR A 53 8.732 10.574 -9.918 1.00 0.00 C ATOM 804 O THR A 53 8.627 11.614 -9.285 1.00 0.00 O ATOM 805 CB THR A 53 10.805 10.687 -11.315 1.00 0.00 C ATOM 806 OG1 THR A 53 12.205 10.452 -11.246 1.00 0.00 O ATOM 807 CG2 THR A 53 10.538 12.197 -11.229 1.00 0.00 C ATOM 0 H THR A 53 10.432 8.251 -11.342 1.00 0.00 H new ATOM 0 HA THR A 53 10.687 10.073 -9.237 1.00 0.00 H new ATOM 0 HB THR A 53 10.411 10.310 -12.259 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.651 10.914 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.036 12.702 -12.056 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.465 12.381 -11.285 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.923 12.581 -10.285 1.00 0.00 H new ATOM 815 N ASP A 54 7.686 9.958 -10.430 1.00 0.00 N ATOM 816 CA ASP A 54 6.350 10.509 -10.249 1.00 0.00 C ATOM 817 C ASP A 54 5.858 10.257 -8.829 1.00 0.00 C ATOM 818 O ASP A 54 5.070 11.028 -8.281 1.00 0.00 O ATOM 819 CB ASP A 54 5.382 9.879 -11.243 1.00 0.00 C ATOM 820 CG ASP A 54 4.029 10.580 -11.157 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.443 10.563 -10.087 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.600 11.124 -12.162 1.00 0.00 O ATOM 0 H ASP A 54 7.728 9.091 -10.966 1.00 0.00 H new ATOM 0 HA ASP A 54 6.396 11.584 -10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.781 9.959 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.266 8.816 -11.029 1.00 0.00 H new ATOM 827 N LEU A 55 6.290 9.142 -8.259 1.00 0.00 N ATOM 828 CA LEU A 55 5.862 8.750 -6.919 1.00 0.00 C ATOM 829 C LEU A 55 6.333 9.733 -5.845 1.00 0.00 C ATOM 830 O LEU A 55 5.515 10.402 -5.216 1.00 0.00 O ATOM 831 CB LEU A 55 6.394 7.349 -6.577 1.00 0.00 C ATOM 832 CG LEU A 55 5.707 6.277 -7.447 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.994 6.539 -8.926 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.247 4.888 -7.061 1.00 0.00 C ATOM 0 H LEU A 55 6.938 8.490 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 55 4.772 8.751 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.472 7.316 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.219 7.136 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 55 4.631 6.316 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.505 5.777 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.613 7.522 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.070 6.505 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.764 4.127 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.324 4.857 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.036 4.695 -6.009 1.00 0.00 H new ATOM 846 N LYS A 56 7.646 9.795 -5.612 1.00 0.00 N ATOM 847 CA LYS A 56 8.188 10.678 -4.568 1.00 0.00 C ATOM 848 C LYS A 56 7.703 12.119 -4.693 1.00 0.00 C ATOM 849 O LYS A 56 7.504 12.799 -3.686 1.00 0.00 O ATOM 850 CB LYS A 56 9.715 10.668 -4.604 1.00 0.00 C ATOM 851 CG LYS A 56 10.257 11.562 -3.484 1.00 0.00 C ATOM 852 CD LYS A 56 11.724 11.214 -3.195 1.00 0.00 C ATOM 853 CE LYS A 56 12.510 11.146 -4.506 1.00 0.00 C ATOM 854 NZ LYS A 56 13.968 11.264 -4.221 1.00 0.00 N ATOM 0 H LYS A 56 8.346 9.255 -6.121 1.00 0.00 H new ATOM 0 HA LYS A 56 7.823 10.285 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.086 9.650 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.069 11.024 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.174 12.610 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.659 11.431 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.162 11.964 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.785 10.258 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.304 10.206 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.194 11.947 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.501 11.218 -5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.158 12.172 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.264 10.484 -3.600 1.00 0.00 H new ATOM 868 N ILE A 57 7.517 12.590 -5.918 1.00 0.00 N ATOM 869 CA ILE A 57 7.057 13.960 -6.131 1.00 0.00 C ATOM 870 C ILE A 57 5.550 14.026 -5.918 1.00 0.00 C ATOM 871 O ILE A 57 4.985 15.096 -5.702 1.00 0.00 O ATOM 872 CB ILE A 57 7.438 14.436 -7.544 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.568 13.726 -8.589 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.912 14.095 -7.787 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.991 14.128 -10.008 1.00 0.00 C ATOM 0 H ILE A 57 7.674 12.054 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 57 7.541 14.623 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 57 7.279 15.511 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.656 12.646 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.520 13.980 -8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.202 14.425 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.530 14.600 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.054 13.017 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.362 13.614 -10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.879 15.205 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.033 13.851 -10.169 1.00 0.00 H new ATOM 887 N GLY A 58 4.906 12.865 -5.988 1.00 0.00 N ATOM 888 CA GLY A 58 3.463 12.782 -5.808 1.00 0.00 C ATOM 889 C GLY A 58 3.065 13.087 -4.367 1.00 0.00 C ATOM 890 O GLY A 58 2.077 13.780 -4.124 1.00 0.00 O ATOM 0 H GLY A 58 5.361 11.970 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.970 13.484 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.117 11.785 -6.080 1.00 0.00 H new ATOM 894 N LEU A 59 3.836 12.574 -3.413 1.00 0.00 N ATOM 895 CA LEU A 59 3.536 12.815 -2.008 1.00 0.00 C ATOM 896 C LEU A 59 3.888 14.248 -1.644 1.00 0.00 C ATOM 897 O LEU A 59 3.045 14.992 -1.143 1.00 0.00 O ATOM 898 CB LEU A 59 4.314 11.852 -1.095 1.00 0.00 C ATOM 899 CG LEU A 59 3.958 10.375 -1.384 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.435 10.172 -1.377 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.533 9.935 -2.741 1.00 0.00 C ATOM 0 H LEU A 59 4.660 11.998 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 59 2.470 12.644 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.384 12.002 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.094 12.082 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 59 4.399 9.763 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.206 9.126 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.036 10.446 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.981 10.800 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.272 8.893 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.117 10.559 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.618 10.040 -2.728 1.00 0.00 H new ATOM 913 N ALA A 60 5.126 14.646 -1.911 1.00 0.00 N ATOM 914 CA ALA A 60 5.538 16.008 -1.613 1.00 0.00 C ATOM 915 C ALA A 60 4.816 16.965 -2.550 1.00 0.00 C ATOM 916 O ALA A 60 4.421 18.062 -2.152 1.00 0.00 O ATOM 917 CB ALA A 60 7.054 16.160 -1.774 1.00 0.00 C ATOM 0 H ALA A 60 5.848 14.057 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 60 5.280 16.241 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.343 17.186 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.562 15.480 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.337 15.922 -2.800 1.00 0.00 H new ATOM 923 N GLY A 61 4.633 16.533 -3.802 1.00 0.00 N ATOM 924 CA GLY A 61 3.938 17.353 -4.802 1.00 0.00 C ATOM 925 C GLY A 61 4.844 17.683 -5.982 1.00 0.00 C ATOM 926 O GLY A 61 4.474 17.469 -7.136 1.00 0.00 O ATOM 0 H GLY A 61 4.953 15.628 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.054 16.823 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.591 18.277 -4.339 1.00 0.00 H new ATOM 930 N SER A 62 6.031 18.212 -5.691 1.00 0.00 N ATOM 931 CA SER A 62 6.982 18.574 -6.744 1.00 0.00 C ATOM 932 C SER A 62 8.400 18.176 -6.354 1.00 0.00 C ATOM 933 O SER A 62 8.768 18.229 -5.182 1.00 0.00 O ATOM 934 CB SER A 62 6.928 20.082 -6.992 1.00 0.00 C ATOM 935 OG SER A 62 7.459 20.760 -5.861 1.00 0.00 O ATOM 0 H SER A 62 6.357 18.399 -4.743 1.00 0.00 H new ATOM 0 HA SER A 62 6.707 18.040 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.499 20.337 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.900 20.397 -7.170 1.00 0.00 H new ATOM 0 HG SER A 62 7.663 21.688 -6.102 1.00 0.00 H new ATOM 941 N GLU A 63 9.191 17.785 -7.349 1.00 0.00 N ATOM 942 CA GLU A 63 10.572 17.381 -7.112 1.00 0.00 C ATOM 943 C GLU A 63 11.379 18.515 -6.490 1.00 0.00 C ATOM 944 O GLU A 63 12.596 18.408 -6.337 1.00 0.00 O ATOM 945 CB GLU A 63 11.228 16.957 -8.427 1.00 0.00 C ATOM 946 CG GLU A 63 11.149 18.101 -9.440 1.00 0.00 C ATOM 947 CD GLU A 63 11.812 17.684 -10.748 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.812 16.989 -10.686 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.309 18.065 -11.793 1.00 0.00 O ATOM 0 H GLU A 63 8.899 17.740 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 63 10.559 16.541 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.269 16.685 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.729 16.073 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.108 18.368 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.641 18.987 -9.039 1.00 0.00 H new ATOM 956 N GLU A 64 10.701 19.600 -6.137 1.00 0.00 N ATOM 957 CA GLU A 64 11.370 20.744 -5.539 1.00 0.00 C ATOM 958 C GLU A 64 11.583 20.541 -4.039 1.00 0.00 C ATOM 959 O GLU A 64 12.701 20.682 -3.545 1.00 0.00 O ATOM 960 CB GLU A 64 10.538 22.006 -5.772 1.00 0.00 C ATOM 961 CG GLU A 64 10.252 22.160 -7.267 1.00 0.00 C ATOM 962 CD GLU A 64 9.354 23.370 -7.504 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.872 24.474 -7.513 1.00 0.00 O ATOM 964 OE2 GLU A 64 8.161 23.173 -7.673 1.00 0.00 O ATOM 0 H GLU A 64 9.694 19.710 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 64 12.347 20.851 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.602 21.945 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.073 22.880 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.187 22.278 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.771 21.259 -7.648 1.00 0.00 H new ATOM 971 N ASP A 65 10.501 20.255 -3.306 1.00 0.00 N ATOM 972 CA ASP A 65 10.590 20.088 -1.849 1.00 0.00 C ATOM 973 C ASP A 65 10.709 18.625 -1.412 1.00 0.00 C ATOM 974 O ASP A 65 10.882 18.359 -0.224 1.00 0.00 O ATOM 975 CB ASP A 65 9.349 20.712 -1.194 1.00 0.00 C ATOM 976 CG ASP A 65 9.470 22.235 -1.175 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.963 22.783 -2.147 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.070 22.828 -0.187 1.00 0.00 O ATOM 0 H ASP A 65 9.564 20.135 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 65 11.502 20.590 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.454 20.418 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.238 20.336 -0.177 1.00 0.00 H new ATOM 983 N VAL A 66 10.613 17.677 -2.338 1.00 0.00 N ATOM 984 CA VAL A 66 10.715 16.266 -1.953 1.00 0.00 C ATOM 985 C VAL A 66 11.876 16.056 -0.981 1.00 0.00 C ATOM 986 O VAL A 66 11.868 15.123 -0.180 1.00 0.00 O ATOM 987 CB VAL A 66 10.917 15.370 -3.183 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.595 15.196 -3.919 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.927 15.998 -4.136 1.00 0.00 C ATOM 0 H VAL A 66 10.469 17.847 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 66 9.780 15.991 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 66 11.287 14.402 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.745 14.559 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.866 14.734 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.227 16.170 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.060 15.351 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.563 16.972 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.882 16.120 -3.625 1.00 0.00 H new ATOM 999 N ASP A 67 12.869 16.931 -1.062 1.00 0.00 N ATOM 1000 CA ASP A 67 14.035 16.834 -0.190 1.00 0.00 C ATOM 1001 C ASP A 67 13.623 16.862 1.281 1.00 0.00 C ATOM 1002 O ASP A 67 14.274 16.249 2.128 1.00 0.00 O ATOM 1003 CB ASP A 67 14.988 17.997 -0.473 1.00 0.00 C ATOM 1004 CG ASP A 67 16.328 17.754 0.215 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.412 16.817 0.992 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.250 18.510 -0.045 1.00 0.00 O ATOM 0 H ASP A 67 12.893 17.712 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 67 14.535 15.887 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.136 18.103 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.551 18.930 -0.117 1.00 0.00 H new ATOM 1011 N MET A 68 12.545 17.585 1.582 1.00 0.00 N ATOM 1012 CA MET A 68 12.061 17.700 2.960 1.00 0.00 C ATOM 1013 C MET A 68 11.017 16.628 3.275 1.00 0.00 C ATOM 1014 O MET A 68 10.598 16.482 4.424 1.00 0.00 O ATOM 1015 CB MET A 68 11.450 19.091 3.177 1.00 0.00 C ATOM 1016 CG MET A 68 12.275 20.138 2.426 1.00 0.00 C ATOM 1017 SD MET A 68 14.038 19.879 2.753 1.00 0.00 S ATOM 1018 CE MET A 68 13.954 19.982 4.557 1.00 0.00 C ATOM 0 H MET A 68 11.992 18.098 0.895 1.00 0.00 H new ATOM 0 HA MET A 68 12.909 17.557 3.630 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.419 19.105 2.825 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.427 19.327 4.241 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.080 20.069 1.356 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.981 21.140 2.739 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.901 20.358 4.944 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.149 20.658 4.846 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.761 18.992 4.969 1.00 0.00 H new ATOM 1028 N LEU A 69 10.596 15.883 2.258 1.00 0.00 N ATOM 1029 CA LEU A 69 9.600 14.838 2.460 1.00 0.00 C ATOM 1030 C LEU A 69 9.999 13.949 3.636 1.00 0.00 C ATOM 1031 O LEU A 69 9.549 14.161 4.759 1.00 0.00 O ATOM 1032 CB LEU A 69 9.465 13.995 1.184 1.00 0.00 C ATOM 1033 CG LEU A 69 8.510 12.813 1.408 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.167 13.308 1.960 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.283 12.101 0.068 1.00 0.00 C ATOM 0 H LEU A 69 10.924 15.981 1.297 1.00 0.00 H new ATOM 0 HA LEU A 69 8.640 15.302 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.095 14.617 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.445 13.624 0.883 1.00 0.00 H new ATOM 0 HG LEU A 69 8.950 12.125 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.501 12.459 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.330 13.818 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.714 14.000 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.606 11.259 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.846 12.799 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.236 11.738 -0.317 1.00 0.00 H new ATOM 1047 N ASP A 70 10.852 12.963 3.353 1.00 0.00 N ATOM 1048 CA ASP A 70 11.343 12.017 4.362 1.00 0.00 C ATOM 1049 C ASP A 70 11.732 10.719 3.662 1.00 0.00 C ATOM 1050 O ASP A 70 12.587 9.969 4.134 1.00 0.00 O ATOM 1051 CB ASP A 70 10.268 11.744 5.440 1.00 0.00 C ATOM 1052 CG ASP A 70 10.524 10.414 6.153 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.337 10.399 7.063 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.903 9.434 5.776 1.00 0.00 O ATOM 0 H ASP A 70 11.223 12.796 2.418 1.00 0.00 H new ATOM 0 HA ASP A 70 12.210 12.446 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.265 12.555 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.281 11.727 4.977 1.00 0.00 H new ATOM 1059 N THR A 71 11.087 10.473 2.529 1.00 0.00 N ATOM 1060 CA THR A 71 11.344 9.277 1.742 1.00 0.00 C ATOM 1061 C THR A 71 12.801 9.272 1.253 1.00 0.00 C ATOM 1062 O THR A 71 13.294 10.301 0.787 1.00 0.00 O ATOM 1063 CB THR A 71 10.387 9.271 0.545 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.105 9.708 0.972 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.267 7.866 -0.038 1.00 0.00 C ATOM 0 H THR A 71 10.378 11.091 2.134 1.00 0.00 H new ATOM 0 HA THR A 71 11.184 8.387 2.351 1.00 0.00 H new ATOM 0 HB THR A 71 10.778 9.939 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.415 9.285 0.420 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.583 7.881 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.248 7.524 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.884 7.187 0.724 1.00 0.00 H new ATOM 1073 N PRO A 72 13.510 8.164 1.345 1.00 0.00 N ATOM 1074 CA PRO A 72 14.933 8.100 0.893 1.00 0.00 C ATOM 1075 C PRO A 72 15.060 8.143 -0.631 1.00 0.00 C ATOM 1076 O PRO A 72 15.132 9.219 -1.225 1.00 0.00 O ATOM 1077 CB PRO A 72 15.431 6.763 1.464 1.00 0.00 C ATOM 1078 CG PRO A 72 14.210 5.910 1.554 1.00 0.00 C ATOM 1079 CD PRO A 72 13.055 6.862 1.879 1.00 0.00 C ATOM 0 HA PRO A 72 15.516 8.954 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.182 6.311 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.893 6.898 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.031 5.385 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.320 5.151 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.126 6.539 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.868 6.913 2.952 1.00 0.00 H new ATOM 1087 N MET A 73 15.092 6.969 -1.250 1.00 0.00 N ATOM 1088 CA MET A 73 15.217 6.884 -2.704 1.00 0.00 C ATOM 1089 C MET A 73 15.048 5.446 -3.188 1.00 0.00 C ATOM 1090 O MET A 73 14.641 5.204 -4.325 1.00 0.00 O ATOM 1091 CB MET A 73 16.586 7.405 -3.139 1.00 0.00 C ATOM 1092 CG MET A 73 17.672 6.403 -2.742 1.00 0.00 C ATOM 1093 SD MET A 73 19.292 7.207 -2.814 1.00 0.00 S ATOM 1094 CE MET A 73 20.103 6.198 -1.551 1.00 0.00 C ATOM 0 H MET A 73 15.034 6.068 -0.775 1.00 0.00 H new ATOM 0 HA MET A 73 14.430 7.495 -3.146 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.600 7.562 -4.218 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.782 8.371 -2.674 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.485 6.028 -1.736 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.651 5.543 -3.412 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.135 6.528 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.573 6.305 -0.604 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.090 5.152 -1.857 1.00 0.00 H new ATOM 1104 N SER A 74 15.360 4.492 -2.320 1.00 0.00 N ATOM 1105 CA SER A 74 15.229 3.081 -2.661 1.00 0.00 C ATOM 1106 C SER A 74 13.824 2.606 -2.322 1.00 0.00 C ATOM 1107 O SER A 74 13.365 1.580 -2.822 1.00 0.00 O ATOM 1108 CB SER A 74 16.251 2.254 -1.879 1.00 0.00 C ATOM 1109 OG SER A 74 17.562 2.628 -2.279 1.00 0.00 O ATOM 0 H SER A 74 15.705 4.669 -1.377 1.00 0.00 H new ATOM 0 HA SER A 74 15.411 2.954 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.125 2.416 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.092 1.191 -2.061 1.00 0.00 H new ATOM 0 HG SER A 74 18.220 2.101 -1.779 1.00 0.00 H new ATOM 1115 N ALA A 75 13.145 3.366 -1.466 1.00 0.00 N ATOM 1116 CA ALA A 75 11.793 3.024 -1.058 1.00 0.00 C ATOM 1117 C ALA A 75 10.834 3.118 -2.238 1.00 0.00 C ATOM 1118 O ALA A 75 9.903 2.324 -2.357 1.00 0.00 O ATOM 1119 CB ALA A 75 11.336 3.962 0.054 1.00 0.00 C ATOM 0 H ALA A 75 13.511 4.220 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 75 11.792 1.998 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.322 3.701 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.005 3.866 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.354 4.990 -0.307 1.00 0.00 H new ATOM 1125 N LEU A 76 11.065 4.087 -3.118 1.00 0.00 N ATOM 1126 CA LEU A 76 10.202 4.235 -4.281 1.00 0.00 C ATOM 1127 C LEU A 76 10.347 3.004 -5.157 1.00 0.00 C ATOM 1128 O LEU A 76 9.365 2.397 -5.581 1.00 0.00 O ATOM 1129 CB LEU A 76 10.586 5.453 -5.126 1.00 0.00 C ATOM 1130 CG LEU A 76 10.622 6.746 -4.295 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.324 6.903 -3.502 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.823 6.759 -3.333 1.00 0.00 C ATOM 0 H LEU A 76 11.824 4.766 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 76 9.181 4.363 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.564 5.286 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.872 5.567 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 76 10.727 7.582 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.363 7.823 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.480 6.946 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.202 6.052 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.820 7.686 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.753 5.911 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.748 6.689 -3.905 1.00 0.00 H new ATOM 1144 N LYS A 77 11.597 2.664 -5.430 1.00 0.00 N ATOM 1145 CA LYS A 77 11.914 1.524 -6.273 1.00 0.00 C ATOM 1146 C LYS A 77 11.581 0.213 -5.566 1.00 0.00 C ATOM 1147 O LYS A 77 11.582 -0.851 -6.184 1.00 0.00 O ATOM 1148 CB LYS A 77 13.402 1.580 -6.670 1.00 0.00 C ATOM 1149 CG LYS A 77 13.864 3.057 -6.748 1.00 0.00 C ATOM 1150 CD LYS A 77 14.970 3.229 -7.805 1.00 0.00 C ATOM 1151 CE LYS A 77 15.822 4.465 -7.480 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.444 4.978 -8.733 1.00 0.00 N ATOM 0 H LYS A 77 12.412 3.165 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 77 11.306 1.568 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.004 1.038 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.551 1.091 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.016 3.695 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.232 3.379 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.600 2.340 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.525 3.334 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.203 5.238 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.595 4.208 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.022 5.815 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.047 4.240 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.698 5.238 -9.410 1.00 0.00 H new ATOM 1166 N ASP A 78 11.254 0.298 -4.277 1.00 0.00 N ATOM 1167 CA ASP A 78 10.874 -0.885 -3.516 1.00 0.00 C ATOM 1168 C ASP A 78 9.385 -1.127 -3.706 1.00 0.00 C ATOM 1169 O ASP A 78 8.951 -2.233 -4.032 1.00 0.00 O ATOM 1170 CB ASP A 78 11.168 -0.679 -2.027 1.00 0.00 C ATOM 1171 CG ASP A 78 12.671 -0.715 -1.777 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.385 -1.190 -2.646 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.087 -0.269 -0.721 1.00 0.00 O ATOM 0 H ASP A 78 11.245 1.168 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 78 11.447 -1.742 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.760 0.276 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.676 -1.455 -1.441 1.00 0.00 H new ATOM 1178 N ALA A 79 8.612 -0.068 -3.494 1.00 0.00 N ATOM 1179 CA ALA A 79 7.165 -0.132 -3.635 1.00 0.00 C ATOM 1180 C ALA A 79 6.756 -0.283 -5.100 1.00 0.00 C ATOM 1181 O ALA A 79 6.059 -1.235 -5.452 1.00 0.00 O ATOM 1182 CB ALA A 79 6.543 1.137 -3.049 1.00 0.00 C ATOM 0 H ALA A 79 8.967 0.849 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 79 6.803 -1.007 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.459 1.092 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.803 1.216 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.923 2.008 -3.582 1.00 0.00 H new ATOM 1188 N VAL A 80 7.174 0.674 -5.946 1.00 0.00 N ATOM 1189 CA VAL A 80 6.832 0.656 -7.378 1.00 0.00 C ATOM 1190 C VAL A 80 6.786 -0.775 -7.917 1.00 0.00 C ATOM 1191 O VAL A 80 6.087 -1.067 -8.887 1.00 0.00 O ATOM 1192 CB VAL A 80 7.834 1.513 -8.167 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.078 0.702 -8.535 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.186 2.032 -9.454 1.00 0.00 C ATOM 0 H VAL A 80 7.748 1.468 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 80 5.836 1.082 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 80 8.127 2.350 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.771 1.332 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.562 0.346 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.788 -0.151 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.905 2.638 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.875 1.189 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.316 2.639 -9.204 1.00 0.00 H new ATOM 1204 N ARG A 81 7.529 -1.656 -7.263 1.00 0.00 N ATOM 1205 CA ARG A 81 7.569 -3.060 -7.655 1.00 0.00 C ATOM 1206 C ARG A 81 6.321 -3.774 -7.148 1.00 0.00 C ATOM 1207 O ARG A 81 5.593 -4.413 -7.906 1.00 0.00 O ATOM 1208 CB ARG A 81 8.807 -3.743 -7.066 1.00 0.00 C ATOM 1209 CG ARG A 81 9.006 -5.109 -7.738 1.00 0.00 C ATOM 1210 CD ARG A 81 9.937 -5.982 -6.889 1.00 0.00 C ATOM 1211 NE ARG A 81 11.292 -5.447 -6.910 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.306 -6.123 -6.375 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.092 -7.278 -5.807 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.514 -5.630 -6.420 1.00 0.00 N ATOM 0 H ARG A 81 8.112 -1.425 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 81 7.611 -3.114 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.687 -3.119 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.689 -3.869 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.044 -5.605 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.428 -4.975 -8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.571 -6.024 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.936 -7.003 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 81 11.466 -4.540 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.148 -7.663 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.869 -7.796 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.680 -4.727 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.292 -6.147 -6.010 1.00 0.00 H new ATOM 1228 N ILE A 82 6.108 -3.682 -5.844 1.00 0.00 N ATOM 1229 CA ILE A 82 4.975 -4.336 -5.212 1.00 0.00 C ATOM 1230 C ILE A 82 3.648 -4.019 -5.922 1.00 0.00 C ATOM 1231 O ILE A 82 2.823 -4.915 -6.092 1.00 0.00 O ATOM 1232 CB ILE A 82 4.912 -3.946 -3.726 1.00 0.00 C ATOM 1233 CG1 ILE A 82 5.996 -4.711 -2.955 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.538 -4.299 -3.148 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.150 -4.113 -1.557 1.00 0.00 C ATOM 0 H ILE A 82 6.706 -3.160 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 82 5.122 -5.413 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 82 5.075 -2.872 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.730 -5.765 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.944 -4.658 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.503 -4.019 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.764 -3.758 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.367 -5.371 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.920 -4.658 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.436 -3.064 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.203 -4.190 -1.022 1.00 0.00 H new ATOM 1247 N LEU A 83 3.422 -2.766 -6.338 1.00 0.00 N ATOM 1248 CA LEU A 83 2.158 -2.452 -7.018 1.00 0.00 C ATOM 1249 C LEU A 83 2.225 -2.944 -8.458 1.00 0.00 C ATOM 1250 O LEU A 83 1.230 -3.413 -9.010 1.00 0.00 O ATOM 1251 CB LEU A 83 1.791 -0.935 -7.009 1.00 0.00 C ATOM 1252 CG LEU A 83 2.460 -0.149 -5.856 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.569 -0.976 -4.562 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.826 0.332 -6.302 1.00 0.00 C ATOM 0 H LEU A 83 4.066 -1.983 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 83 1.374 -2.962 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.086 -0.492 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.709 -0.831 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 83 1.826 0.706 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.046 -0.377 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.572 -1.270 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.166 -1.868 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.299 0.886 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.445 -0.525 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.717 0.982 -7.170 1.00 0.00 H new ATOM 1266 N TRP A 84 3.408 -2.845 -9.057 1.00 0.00 N ATOM 1267 CA TRP A 84 3.589 -3.300 -10.439 1.00 0.00 C ATOM 1268 C TRP A 84 2.938 -4.676 -10.614 1.00 0.00 C ATOM 1269 O TRP A 84 2.615 -5.087 -11.728 1.00 0.00 O ATOM 1270 CB TRP A 84 5.101 -3.386 -10.760 1.00 0.00 C ATOM 1271 CG TRP A 84 5.510 -2.385 -11.795 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.220 -2.673 -12.909 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.272 -0.950 -11.820 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.431 -1.506 -13.617 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.865 -0.416 -12.988 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.602 -0.067 -10.954 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.801 0.944 -13.285 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.536 1.303 -11.251 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.135 1.805 -12.414 1.00 0.00 C ATOM 0 H TRP A 84 4.245 -2.461 -8.619 1.00 0.00 H new ATOM 0 HA TRP A 84 3.118 -2.593 -11.122 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.676 -3.221 -9.849 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.341 -4.390 -11.111 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.566 -3.655 -13.198 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.943 -1.456 -14.498 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.136 -0.445 -10.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.263 1.328 -14.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.021 1.974 -10.580 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.081 2.861 -12.636 1.00 0.00 H new ATOM 1290 N GLY A 85 2.768 -5.382 -9.499 1.00 0.00 N ATOM 1291 CA GLY A 85 2.175 -6.714 -9.524 1.00 0.00 C ATOM 1292 C GLY A 85 3.249 -7.765 -9.784 1.00 0.00 C ATOM 1293 O GLY A 85 2.948 -8.894 -10.173 1.00 0.00 O ATOM 0 H GLY A 85 3.032 -5.054 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.680 -6.917 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.411 -6.765 -10.300 1.00 0.00 H new ATOM 1297 N GLU A 86 4.508 -7.380 -9.566 1.00 0.00 N ATOM 1298 CA GLU A 86 5.644 -8.284 -9.779 1.00 0.00 C ATOM 1299 C GLU A 86 6.292 -8.651 -8.448 1.00 0.00 C ATOM 1300 O GLU A 86 7.266 -9.404 -8.414 1.00 0.00 O ATOM 1301 CB GLU A 86 6.680 -7.609 -10.679 1.00 0.00 C ATOM 1302 CG GLU A 86 6.071 -7.356 -12.059 1.00 0.00 C ATOM 1303 CD GLU A 86 7.085 -6.660 -12.959 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.253 -6.655 -12.610 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.677 -6.143 -13.987 1.00 0.00 O ATOM 0 H GLU A 86 4.768 -6.449 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 86 5.279 -9.193 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.005 -6.668 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.564 -8.240 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.763 -8.300 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.176 -6.741 -11.963 1.00 0.00 H new ATOM 1312 N ALA A 87 5.744 -8.108 -7.360 1.00 0.00 N ATOM 1313 CA ALA A 87 6.262 -8.366 -6.012 1.00 0.00 C ATOM 1314 C ALA A 87 6.859 -9.774 -5.894 1.00 0.00 C ATOM 1315 O ALA A 87 8.033 -9.935 -5.557 1.00 0.00 O ATOM 1316 CB ALA A 87 5.121 -8.192 -4.992 1.00 0.00 C ATOM 0 H ALA A 87 4.938 -7.484 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 87 7.061 -7.653 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.499 -8.382 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.735 -7.174 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.320 -8.896 -5.218 1.00 0.00 H new ATOM 1322 N GLU A 88 6.040 -10.784 -6.169 1.00 0.00 N ATOM 1323 CA GLU A 88 6.494 -12.169 -6.086 1.00 0.00 C ATOM 1324 C GLU A 88 7.832 -12.343 -6.799 1.00 0.00 C ATOM 1325 O GLU A 88 8.713 -13.052 -6.315 1.00 0.00 O ATOM 1326 CB GLU A 88 5.449 -13.099 -6.710 1.00 0.00 C ATOM 1327 CG GLU A 88 5.365 -12.851 -8.221 1.00 0.00 C ATOM 1328 CD GLU A 88 4.049 -13.394 -8.770 1.00 0.00 C ATOM 1329 OE1 GLU A 88 3.018 -12.826 -8.451 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.092 -14.371 -9.499 1.00 0.00 O ATOM 0 H GLU A 88 5.066 -10.672 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 88 6.625 -12.426 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.714 -14.139 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.476 -12.927 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.441 -11.783 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.204 -13.333 -8.723 1.00 0.00 H new