USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 384 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 25:sc= 0.111 USER MOD Single : A 32 SER OG : rot 64:sc= 1.25 USER MOD Single : A 34 MET CE :methyl 175:sc= 0 (180deg=-0.0174) USER MOD Single : A 50 MET CE :methyl -122:sc= -0.674 (180deg=-1.7) USER MOD Single : A 53 GLN : amide:sc= -2.54 K(o=-2.5,f=-8.5!) USER MOD Single : A 55 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.6!) USER MOD Single : A 58 ASN : amide:sc= -2.11! C(o=-2.1!,f=-7!) USER MOD Single : A 61 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.16) USER MOD Single : A 62 MET CE :methyl 170:sc= -8.51! (180deg=-9.16!) USER MOD Single : A 63 SER OG : rot -60:sc= 0.361 USER MOD Single : A 64 ASN : amide:sc= 0.846 K(o=0.85,f=-0.76) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 75:sc= 1.08 USER MOD Single : A 84 THR OG1 : rot 156:sc= -0.0393 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.683 -4.639 -3.212 1.00 0.00 N ATOM 16 CA VAL A 2 6.208 -5.427 -4.336 1.00 0.00 C ATOM 17 C VAL A 2 5.931 -4.501 -5.522 1.00 0.00 C ATOM 18 O VAL A 2 5.338 -3.436 -5.357 1.00 0.00 O ATOM 19 CB VAL A 2 4.985 -6.248 -3.920 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.418 -7.026 -5.109 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.325 -7.188 -2.761 1.00 0.00 C ATOM 0 HA VAL A 2 6.970 -6.140 -4.651 1.00 0.00 H new ATOM 0 HB VAL A 2 4.217 -5.556 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.550 -7.601 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.121 -6.328 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.179 -7.704 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.439 -7.760 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.117 -7.871 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.661 -6.603 -1.905 1.00 0.00 H new ATOM 31 N THR A 3 6.375 -4.940 -6.691 1.00 0.00 N ATOM 32 CA THR A 3 6.183 -4.164 -7.903 1.00 0.00 C ATOM 33 C THR A 3 5.004 -4.715 -8.708 1.00 0.00 C ATOM 34 O THR A 3 5.163 -5.658 -9.482 1.00 0.00 O ATOM 35 CB THR A 3 7.501 -4.164 -8.679 1.00 0.00 C ATOM 36 OG1 THR A 3 8.379 -3.383 -7.873 1.00 0.00 O ATOM 37 CG2 THR A 3 7.408 -3.384 -9.993 1.00 0.00 C ATOM 0 H THR A 3 6.867 -5.824 -6.824 1.00 0.00 H new ATOM 0 HA THR A 3 5.925 -3.130 -7.673 1.00 0.00 H new ATOM 0 HB THR A 3 7.799 -5.192 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.259 -3.333 -8.302 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.370 -3.416 -10.504 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.645 -3.832 -10.629 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.143 -2.348 -9.783 1.00 0.00 H new ATOM 201 N ILE A 14 -8.265 0.653 -3.038 1.00 0.00 N ATOM 202 CA ILE A 14 -7.390 0.383 -1.910 1.00 0.00 C ATOM 203 C ILE A 14 -7.625 1.435 -0.824 1.00 0.00 C ATOM 204 O ILE A 14 -8.274 2.451 -1.068 1.00 0.00 O ATOM 205 CB ILE A 14 -5.934 0.291 -2.371 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.651 1.286 -3.498 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.574 -1.142 -2.769 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.667 2.725 -2.977 1.00 0.00 C ATOM 0 HA ILE A 14 -7.624 -0.587 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.293 0.563 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.681 1.068 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.397 1.172 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.534 -1.179 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.712 -1.803 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.220 -1.466 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.463 3.412 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.646 2.947 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.903 2.842 -2.208 1.00 0.00 H new ATOM 219 N SER A 15 -7.086 1.154 0.353 1.00 0.00 N ATOM 220 CA SER A 15 -7.229 2.064 1.478 1.00 0.00 C ATOM 221 C SER A 15 -6.113 1.816 2.496 1.00 0.00 C ATOM 222 O SER A 15 -5.463 0.773 2.469 1.00 0.00 O ATOM 223 CB SER A 15 -8.598 1.906 2.143 1.00 0.00 C ATOM 224 OG SER A 15 -9.357 3.110 2.093 1.00 0.00 O ATOM 0 H SER A 15 -6.550 0.310 0.553 1.00 0.00 H new ATOM 0 HA SER A 15 -7.152 3.085 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.151 1.108 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.464 1.605 3.182 1.00 0.00 H new ATOM 0 HG SER A 15 -10.225 2.968 2.526 1.00 0.00 H new ATOM 229 N ILE A 16 -5.926 2.796 3.369 1.00 0.00 N ATOM 230 CA ILE A 16 -4.900 2.697 4.394 1.00 0.00 C ATOM 231 C ILE A 16 -5.539 2.899 5.770 1.00 0.00 C ATOM 232 O ILE A 16 -6.713 3.254 5.867 1.00 0.00 O ATOM 233 CB ILE A 16 -3.754 3.668 4.100 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.258 5.112 4.054 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.021 3.276 2.816 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.749 5.908 5.258 1.00 0.00 C ATOM 0 H ILE A 16 -6.467 3.661 3.388 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.454 1.703 4.392 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.033 3.604 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.925 5.588 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.348 5.121 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.211 3.982 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.610 2.272 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.719 3.295 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.121 6.931 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.104 5.443 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.659 5.918 5.253 1.00 0.00 H new ATOM 247 N VAL A 17 -4.738 2.664 6.799 1.00 0.00 N ATOM 248 CA VAL A 17 -5.211 2.816 8.164 1.00 0.00 C ATOM 249 C VAL A 17 -4.010 2.942 9.104 1.00 0.00 C ATOM 250 O VAL A 17 -2.872 2.710 8.697 1.00 0.00 O ATOM 251 CB VAL A 17 -6.136 1.653 8.530 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.435 0.309 8.324 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.648 1.790 9.965 1.00 0.00 C ATOM 0 H VAL A 17 -3.765 2.370 6.715 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.801 3.727 8.265 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.997 1.687 7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.114 -0.500 8.591 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.143 0.207 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.547 0.261 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.303 0.951 10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.803 1.794 10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.203 2.723 10.066 1.00 0.00 H new ATOM 263 N GLY A 18 -4.304 3.309 10.342 1.00 0.00 N ATOM 264 CA GLY A 18 -3.262 3.470 11.343 1.00 0.00 C ATOM 265 C GLY A 18 -3.635 2.753 12.642 1.00 0.00 C ATOM 266 O GLY A 18 -4.544 1.924 12.659 1.00 0.00 O ATOM 0 H GLY A 18 -5.249 3.500 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.321 3.073 10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.103 4.530 11.541 1.00 0.00 H new ATOM 366 N GLY A 27 3.089 2.835 11.811 1.00 0.00 N ATOM 367 CA GLY A 27 3.276 2.368 10.447 1.00 0.00 C ATOM 368 C GLY A 27 1.931 2.064 9.784 1.00 0.00 C ATOM 369 O GLY A 27 1.403 0.962 9.918 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.808 3.124 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.897 1.472 10.447 1.00 0.00 H new ATOM 373 N ILE A 28 1.415 3.063 9.082 1.00 0.00 N ATOM 374 CA ILE A 28 0.141 2.916 8.397 1.00 0.00 C ATOM 375 C ILE A 28 0.178 1.659 7.526 1.00 0.00 C ATOM 376 O ILE A 28 1.183 1.380 6.874 1.00 0.00 O ATOM 377 CB ILE A 28 -0.200 4.191 7.623 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.190 5.412 8.546 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.531 4.043 6.883 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.143 5.214 9.726 1.00 0.00 C ATOM 0 H ILE A 28 1.855 3.977 8.973 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.666 2.782 9.117 1.00 0.00 H new ATOM 0 HB ILE A 28 0.572 4.350 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.821 5.585 8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.481 6.300 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.750 4.963 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.466 3.214 6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.327 3.847 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.117 6.096 10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.157 5.065 9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.835 4.340 10.300 1.00 0.00 H new ATOM 391 N TYR A 29 -0.931 0.934 7.542 1.00 0.00 N ATOM 392 CA TYR A 29 -1.038 -0.287 6.762 1.00 0.00 C ATOM 393 C TYR A 29 -2.337 -0.308 5.954 1.00 0.00 C ATOM 394 O TYR A 29 -3.369 0.175 6.417 1.00 0.00 O ATOM 395 CB TYR A 29 -1.063 -1.433 7.775 1.00 0.00 C ATOM 396 CG TYR A 29 -2.176 -1.319 8.818 1.00 0.00 C ATOM 397 CD1 TYR A 29 -2.040 -0.449 9.880 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.317 -2.086 8.697 1.00 0.00 C ATOM 399 CE1 TYR A 29 -3.088 -0.341 10.861 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.366 -1.979 9.678 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.199 -1.111 10.713 1.00 0.00 C ATOM 402 OH TYR A 29 -5.189 -1.010 11.640 1.00 0.00 O ATOM 0 H TYR A 29 -1.763 1.169 8.083 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.209 -0.368 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.177 -2.375 7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.102 -1.472 8.288 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.147 0.151 9.975 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.423 -2.767 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.994 0.337 11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.264 -2.573 9.594 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.152 -0.127 12.063 1.00 0.00 H new ATOM 411 N ILE A 30 -2.245 -0.874 4.760 1.00 0.00 N ATOM 412 CA ILE A 30 -3.399 -0.964 3.882 1.00 0.00 C ATOM 413 C ILE A 30 -4.604 -1.464 4.683 1.00 0.00 C ATOM 414 O ILE A 30 -4.529 -2.500 5.342 1.00 0.00 O ATOM 415 CB ILE A 30 -3.076 -1.822 2.658 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.975 -1.453 1.477 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.156 -3.313 2.995 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.565 -0.107 0.875 1.00 0.00 C ATOM 0 H ILE A 30 -1.388 -1.275 4.380 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.659 0.020 3.492 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.049 -1.615 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.916 -2.229 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.013 -1.407 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.922 -3.900 2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.441 -3.547 3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.163 -3.556 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.220 0.132 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.648 0.671 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.534 -0.164 0.525 1.00 0.00 H new ATOM 429 N GLY A 31 -5.686 -0.705 4.598 1.00 0.00 N ATOM 430 CA GLY A 31 -6.905 -1.058 5.306 1.00 0.00 C ATOM 431 C GLY A 31 -7.415 -2.432 4.867 1.00 0.00 C ATOM 432 O GLY A 31 -7.777 -3.259 5.703 1.00 0.00 O ATOM 0 H GLY A 31 -5.744 0.153 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.718 -1.061 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.670 -0.305 5.118 1.00 0.00 H new ATOM 436 N SER A 32 -7.430 -2.632 3.558 1.00 0.00 N ATOM 437 CA SER A 32 -7.889 -3.892 2.998 1.00 0.00 C ATOM 438 C SER A 32 -7.768 -3.863 1.474 1.00 0.00 C ATOM 439 O SER A 32 -7.709 -2.791 0.872 1.00 0.00 O ATOM 440 CB SER A 32 -9.334 -4.182 3.411 1.00 0.00 C ATOM 441 OG SER A 32 -9.403 -4.938 4.617 1.00 0.00 O ATOM 0 H SER A 32 -7.132 -1.942 2.868 1.00 0.00 H new ATOM 0 HA SER A 32 -7.259 -4.691 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.869 -3.242 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.837 -4.727 2.612 1.00 0.00 H new ATOM 0 HG SER A 32 -9.026 -4.414 5.354 1.00 0.00 H new ATOM 446 N ILE A 33 -7.735 -5.052 0.892 1.00 0.00 N ATOM 447 CA ILE A 33 -7.621 -5.177 -0.552 1.00 0.00 C ATOM 448 C ILE A 33 -8.931 -5.732 -1.115 1.00 0.00 C ATOM 449 O ILE A 33 -9.368 -6.815 -0.728 1.00 0.00 O ATOM 450 CB ILE A 33 -6.391 -6.006 -0.923 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.104 -5.208 -0.705 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.500 -6.538 -2.353 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.866 -4.947 0.784 1.00 0.00 C ATOM 0 H ILE A 33 -7.785 -5.939 1.394 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.466 -4.200 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.349 -6.870 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.258 -5.755 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.165 -4.260 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.613 -7.124 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.385 -7.168 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.580 -5.702 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.945 -4.378 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.702 -4.379 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.781 -5.897 1.311 1.00 0.00 H new ATOM 464 N MET A 34 -9.519 -4.966 -2.021 1.00 0.00 N ATOM 465 CA MET A 34 -10.770 -5.367 -2.642 1.00 0.00 C ATOM 466 C MET A 34 -10.771 -6.865 -2.954 1.00 0.00 C ATOM 467 O MET A 34 -11.824 -7.502 -2.957 1.00 0.00 O ATOM 468 CB MET A 34 -10.975 -4.577 -3.936 1.00 0.00 C ATOM 469 CG MET A 34 -11.467 -3.158 -3.640 1.00 0.00 C ATOM 470 SD MET A 34 -13.123 -2.941 -4.269 1.00 0.00 S ATOM 471 CE MET A 34 -14.024 -3.990 -3.139 1.00 0.00 C ATOM 0 H MET A 34 -9.152 -4.069 -2.340 1.00 0.00 H new ATOM 0 HA MET A 34 -11.582 -5.158 -1.946 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.038 -4.533 -4.491 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.697 -5.091 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.451 -2.976 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.797 -2.430 -4.097 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.093 -3.902 -3.334 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.714 -5.026 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.816 -3.684 -2.114 1.00 0.00 H new ATOM 595 N ILE A 45 -3.322 -10.166 -1.048 1.00 0.00 N ATOM 596 CA ILE A 45 -2.678 -9.155 -0.227 1.00 0.00 C ATOM 597 C ILE A 45 -3.360 -9.106 1.141 1.00 0.00 C ATOM 598 O ILE A 45 -4.457 -9.634 1.311 1.00 0.00 O ATOM 599 CB ILE A 45 -2.659 -7.808 -0.953 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.680 -7.832 -2.129 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.359 -6.666 0.020 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.298 -8.316 -1.681 1.00 0.00 C ATOM 0 HA ILE A 45 -1.633 -9.413 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.652 -7.628 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.062 -8.487 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.598 -6.834 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.351 -5.720 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.127 -6.636 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.385 -6.828 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.379 -8.324 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.092 -7.645 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.380 -9.324 -1.273 1.00 0.00 H new ATOM 613 N GLU A 46 -2.681 -8.467 2.083 1.00 0.00 N ATOM 614 CA GLU A 46 -3.207 -8.343 3.431 1.00 0.00 C ATOM 615 C GLU A 46 -3.229 -6.874 3.859 1.00 0.00 C ATOM 616 O GLU A 46 -2.555 -6.039 3.259 1.00 0.00 O ATOM 617 CB GLU A 46 -2.398 -9.189 4.416 1.00 0.00 C ATOM 618 CG GLU A 46 -2.718 -10.677 4.252 1.00 0.00 C ATOM 619 CD GLU A 46 -3.014 -11.326 5.605 1.00 0.00 C ATOM 620 OE1 GLU A 46 -4.072 -11.069 6.198 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.099 -12.126 6.038 1.00 0.00 O ATOM 0 H GLU A 46 -1.771 -8.030 1.939 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.230 -8.718 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.333 -9.022 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.619 -8.876 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.576 -10.797 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.877 -11.183 3.778 1.00 0.00 H new ATOM 627 N PRO A 47 -4.030 -6.597 4.922 1.00 0.00 N ATOM 628 CA PRO A 47 -4.149 -5.243 5.438 1.00 0.00 C ATOM 629 C PRO A 47 -2.902 -4.849 6.231 1.00 0.00 C ATOM 630 O PRO A 47 -2.435 -3.714 6.138 1.00 0.00 O ATOM 631 CB PRO A 47 -5.412 -5.253 6.283 1.00 0.00 C ATOM 632 CG PRO A 47 -5.698 -6.714 6.588 1.00 0.00 C ATOM 633 CD PRO A 47 -4.843 -7.561 5.659 1.00 0.00 C ATOM 0 HA PRO A 47 -4.222 -4.496 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.272 -4.683 7.201 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.244 -4.796 5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.468 -6.939 7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.755 -6.935 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.220 -8.258 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.460 -8.156 4.985 1.00 0.00 H new ATOM 638 N GLY A 48 -2.396 -5.806 6.994 1.00 0.00 N ATOM 639 CA GLY A 48 -1.212 -5.573 7.803 1.00 0.00 C ATOM 640 C GLY A 48 0.063 -5.805 6.989 1.00 0.00 C ATOM 641 O GLY A 48 1.061 -6.291 7.518 1.00 0.00 O ATOM 0 H GLY A 48 -2.785 -6.746 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.223 -4.552 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.222 -6.237 8.668 1.00 0.00 H new ATOM 645 N ASP A 49 -0.013 -5.446 5.716 1.00 0.00 N ATOM 646 CA ASP A 49 1.122 -5.610 4.824 1.00 0.00 C ATOM 647 C ASP A 49 2.103 -4.454 5.038 1.00 0.00 C ATOM 648 O ASP A 49 3.298 -4.596 4.784 1.00 0.00 O ATOM 649 CB ASP A 49 0.680 -5.589 3.360 1.00 0.00 C ATOM 650 CG ASP A 49 1.721 -6.102 2.362 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.759 -6.656 2.751 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.426 -5.909 1.121 1.00 0.00 O ATOM 0 H ASP A 49 -0.843 -5.042 5.281 1.00 0.00 H new ATOM 0 HA ASP A 49 1.589 -6.569 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.224 -6.190 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.414 -4.567 3.091 1.00 0.00 H new ATOM 657 N MET A 50 1.562 -3.338 5.502 1.00 0.00 N ATOM 658 CA MET A 50 2.373 -2.160 5.753 1.00 0.00 C ATOM 659 C MET A 50 2.620 -1.380 4.461 1.00 0.00 C ATOM 660 O MET A 50 3.765 -1.084 4.118 1.00 0.00 O ATOM 661 CB MET A 50 3.714 -2.583 6.357 1.00 0.00 C ATOM 662 CG MET A 50 4.108 -1.664 7.515 1.00 0.00 C ATOM 663 SD MET A 50 4.458 -0.025 6.902 1.00 0.00 S ATOM 664 CE MET A 50 5.596 0.538 8.156 1.00 0.00 C ATOM 0 H MET A 50 0.570 -3.225 5.711 1.00 0.00 H new ATOM 0 HA MET A 50 1.837 -1.515 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.649 -3.612 6.711 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.487 -2.558 5.589 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.302 -1.623 8.248 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.983 -2.065 8.026 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.208 1.446 8.618 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.712 -0.235 8.916 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.564 0.747 7.701 1.00 0.00 H new ATOM 672 N LEU A 51 1.528 -1.066 3.779 1.00 0.00 N ATOM 673 CA LEU A 51 1.612 -0.325 2.531 1.00 0.00 C ATOM 674 C LEU A 51 1.420 1.167 2.816 1.00 0.00 C ATOM 675 O LEU A 51 0.295 1.665 2.802 1.00 0.00 O ATOM 676 CB LEU A 51 0.624 -0.888 1.507 1.00 0.00 C ATOM 677 CG LEU A 51 0.723 -0.311 0.094 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.331 0.775 -0.131 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.138 0.195 -0.194 1.00 0.00 C ATOM 0 H LEU A 51 0.581 -1.311 4.067 1.00 0.00 H new ATOM 0 HA LEU A 51 2.599 -0.440 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.767 -1.967 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.387 -0.720 1.877 1.00 0.00 H new ATOM 0 HG LEU A 51 0.516 -1.111 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.238 1.168 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.326 0.350 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.181 1.582 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.181 0.600 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.398 0.976 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.845 -0.630 -0.103 1.00 0.00 H new ATOM 690 N LEU A 52 2.535 1.836 3.066 1.00 0.00 N ATOM 691 CA LEU A 52 2.503 3.260 3.353 1.00 0.00 C ATOM 692 C LEU A 52 3.584 3.966 2.532 1.00 0.00 C ATOM 693 O LEU A 52 3.852 5.148 2.737 1.00 0.00 O ATOM 694 CB LEU A 52 2.618 3.507 4.859 1.00 0.00 C ATOM 695 CG LEU A 52 4.038 3.653 5.410 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.977 2.616 4.788 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.554 5.080 5.219 1.00 0.00 C ATOM 0 H LEU A 52 3.466 1.419 3.076 1.00 0.00 H new ATOM 0 HA LEU A 52 1.545 3.686 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.061 4.412 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.131 2.683 5.380 1.00 0.00 H new ATOM 0 HG LEU A 52 4.011 3.460 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.980 2.742 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.615 1.614 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.006 2.753 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.565 5.158 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.564 5.324 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.901 5.776 5.745 1.00 0.00 H new ATOM 708 N GLN A 53 4.176 3.209 1.619 1.00 0.00 N ATOM 709 CA GLN A 53 5.221 3.747 0.765 1.00 0.00 C ATOM 710 C GLN A 53 5.003 3.306 -0.684 1.00 0.00 C ATOM 711 O GLN A 53 4.410 2.259 -0.935 1.00 0.00 O ATOM 712 CB GLN A 53 6.606 3.328 1.263 1.00 0.00 C ATOM 713 CG GLN A 53 6.601 1.872 1.736 1.00 0.00 C ATOM 714 CD GLN A 53 7.594 1.665 2.882 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.231 1.344 4.001 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.864 1.865 2.539 1.00 0.00 N ATOM 0 H GLN A 53 3.952 2.228 1.452 1.00 0.00 H new ATOM 0 HA GLN A 53 5.170 4.835 0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.337 3.452 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.915 3.979 2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.599 1.596 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.857 1.215 0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.098 2.133 1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.604 1.751 3.232 1.00 0.00 H new ATOM 723 N VAL A 54 5.494 4.129 -1.600 1.00 0.00 N ATOM 724 CA VAL A 54 5.360 3.838 -3.016 1.00 0.00 C ATOM 725 C VAL A 54 6.682 4.141 -3.723 1.00 0.00 C ATOM 726 O VAL A 54 7.474 4.951 -3.244 1.00 0.00 O ATOM 727 CB VAL A 54 4.177 4.613 -3.601 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.128 4.471 -5.124 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.861 4.166 -2.965 1.00 0.00 C ATOM 0 H VAL A 54 5.985 4.997 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 54 5.145 2.780 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 54 4.319 5.668 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.278 5.031 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.049 4.862 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.021 3.419 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.037 4.732 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.709 3.103 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.898 4.344 -1.890 1.00 0.00 H new ATOM 739 N ASN A 55 6.881 3.475 -4.851 1.00 0.00 N ATOM 740 CA ASN A 55 8.094 3.664 -5.628 1.00 0.00 C ATOM 741 C ASN A 55 9.274 3.880 -4.678 1.00 0.00 C ATOM 742 O ASN A 55 9.366 3.230 -3.638 1.00 0.00 O ATOM 743 CB ASN A 55 7.984 4.893 -6.531 1.00 0.00 C ATOM 744 CG ASN A 55 8.877 4.749 -7.765 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.861 3.748 -8.461 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.654 5.804 -7.996 1.00 0.00 N ATOM 0 H ASN A 55 6.222 2.804 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 55 8.242 2.777 -6.243 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.948 5.029 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.269 5.785 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.286 5.806 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.618 6.611 -7.373 1.00 0.00 H new ATOM 752 N ASP A 56 10.148 4.794 -5.071 1.00 0.00 N ATOM 753 CA ASP A 56 11.319 5.105 -4.268 1.00 0.00 C ATOM 754 C ASP A 56 10.914 6.030 -3.119 1.00 0.00 C ATOM 755 O ASP A 56 11.765 6.498 -2.365 1.00 0.00 O ATOM 756 CB ASP A 56 12.384 5.822 -5.100 1.00 0.00 C ATOM 757 CG ASP A 56 12.066 7.280 -5.439 1.00 0.00 C ATOM 758 OD1 ASP A 56 11.725 8.081 -4.555 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.183 7.587 -6.686 1.00 0.00 O ATOM 0 H ASP A 56 10.069 5.330 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 56 11.727 4.167 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.330 5.788 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.529 5.272 -6.030 1.00 0.00 H new ATOM 764 N VAL A 57 9.614 6.267 -3.023 1.00 0.00 N ATOM 765 CA VAL A 57 9.085 7.129 -1.979 1.00 0.00 C ATOM 766 C VAL A 57 8.878 6.309 -0.703 1.00 0.00 C ATOM 767 O VAL A 57 8.728 5.089 -0.762 1.00 0.00 O ATOM 768 CB VAL A 57 7.806 7.814 -2.463 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.867 8.110 -1.293 1.00 0.00 C ATOM 770 CG2 VAL A 57 8.129 9.088 -3.245 1.00 0.00 C ATOM 0 H VAL A 57 8.911 5.877 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 57 9.794 7.923 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 57 7.293 7.129 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.965 8.597 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.598 7.177 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.368 8.767 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.202 9.556 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.675 9.780 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.741 8.838 -4.112 1.00 0.00 H new ATOM 780 N ASN A 58 8.878 7.011 0.420 1.00 0.00 N ATOM 781 CA ASN A 58 8.692 6.365 1.708 1.00 0.00 C ATOM 782 C ASN A 58 8.058 7.356 2.685 1.00 0.00 C ATOM 783 O ASN A 58 8.765 8.080 3.386 1.00 0.00 O ATOM 784 CB ASN A 58 10.031 5.912 2.294 1.00 0.00 C ATOM 785 CG ASN A 58 10.990 7.094 2.448 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.747 8.190 1.971 1.00 0.00 O ATOM 787 ND2 ASN A 58 12.090 6.811 3.141 1.00 0.00 N ATOM 0 H ASN A 58 9.004 8.022 0.465 1.00 0.00 H new ATOM 0 HA ASN A 58 8.050 5.496 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.867 5.443 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.479 5.158 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.792 7.533 3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.231 5.872 3.513 1.00 0.00 H new ATOM 793 N PHE A 59 6.734 7.358 2.701 1.00 0.00 N ATOM 794 CA PHE A 59 5.997 8.250 3.580 1.00 0.00 C ATOM 795 C PHE A 59 5.987 7.719 5.015 1.00 0.00 C ATOM 796 O PHE A 59 4.931 7.613 5.634 1.00 0.00 O ATOM 797 CB PHE A 59 4.559 8.304 3.060 1.00 0.00 C ATOM 798 CG PHE A 59 4.428 8.893 1.654 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.258 9.894 1.256 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.480 8.415 0.803 1.00 0.00 C ATOM 801 CE1 PHE A 59 5.136 10.441 -0.049 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.359 8.963 -0.502 1.00 0.00 C ATOM 803 CZ PHE A 59 4.189 9.963 -0.900 1.00 0.00 C ATOM 0 H PHE A 59 6.152 6.756 2.119 1.00 0.00 H new ATOM 0 HA PHE A 59 6.464 9.235 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.145 7.296 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.956 8.896 3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.010 10.273 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.821 7.620 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.795 11.236 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.607 8.585 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.096 10.378 -1.893 1.00 0.00 H new ATOM 812 N GLU A 60 7.178 7.399 5.502 1.00 0.00 N ATOM 813 CA GLU A 60 7.320 6.883 6.852 1.00 0.00 C ATOM 814 C GLU A 60 6.942 7.956 7.874 1.00 0.00 C ATOM 815 O GLU A 60 5.959 7.811 8.599 1.00 0.00 O ATOM 816 CB GLU A 60 8.741 6.369 7.096 1.00 0.00 C ATOM 817 CG GLU A 60 8.927 4.970 6.506 1.00 0.00 C ATOM 818 CD GLU A 60 10.142 4.924 5.577 1.00 0.00 C ATOM 819 OE1 GLU A 60 10.981 5.837 5.608 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.199 3.893 4.804 1.00 0.00 O ATOM 0 H GLU A 60 8.053 7.487 4.985 1.00 0.00 H new ATOM 0 HA GLU A 60 6.639 6.041 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.461 7.055 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.944 6.346 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.052 4.246 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.032 4.682 5.955 1.00 0.00 H new ATOM 826 N ASN A 61 7.743 9.012 7.899 1.00 0.00 N ATOM 827 CA ASN A 61 7.505 10.110 8.821 1.00 0.00 C ATOM 828 C ASN A 61 6.050 10.568 8.696 1.00 0.00 C ATOM 829 O ASN A 61 5.506 11.173 9.618 1.00 0.00 O ATOM 830 CB ASN A 61 8.406 11.304 8.499 1.00 0.00 C ATOM 831 CG ASN A 61 8.248 11.732 7.039 1.00 0.00 C ATOM 832 OD1 ASN A 61 7.383 12.518 6.686 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.128 11.175 6.213 1.00 0.00 N ATOM 0 H ASN A 61 8.557 9.130 7.296 1.00 0.00 H new ATOM 0 HA ASN A 61 7.721 9.757 9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.158 12.138 9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.446 11.043 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.105 11.398 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.826 10.525 6.574 1.00 0.00 H new ATOM 839 N MET A 62 5.463 10.262 7.549 1.00 0.00 N ATOM 840 CA MET A 62 4.082 10.634 7.293 1.00 0.00 C ATOM 841 C MET A 62 3.127 9.852 8.195 1.00 0.00 C ATOM 842 O MET A 62 2.681 10.359 9.223 1.00 0.00 O ATOM 843 CB MET A 62 3.743 10.357 5.826 1.00 0.00 C ATOM 844 CG MET A 62 3.486 11.661 5.068 1.00 0.00 C ATOM 845 SD MET A 62 4.225 11.576 3.444 1.00 0.00 S ATOM 846 CE MET A 62 2.816 11.035 2.491 1.00 0.00 C ATOM 0 H MET A 62 5.918 9.761 6.786 1.00 0.00 H new ATOM 0 HA MET A 62 3.965 11.696 7.508 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.563 9.814 5.356 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.862 9.718 5.767 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.414 11.836 4.980 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.902 12.502 5.623 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.049 11.100 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.578 10.003 2.748 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.960 11.672 2.714 1.00 0.00 H new ATOM 854 N SER A 63 2.839 8.628 7.777 1.00 0.00 N ATOM 855 CA SER A 63 1.944 7.769 8.536 1.00 0.00 C ATOM 856 C SER A 63 0.855 8.610 9.205 1.00 0.00 C ATOM 857 O SER A 63 0.604 8.469 10.401 1.00 0.00 O ATOM 858 CB SER A 63 2.711 6.963 9.585 1.00 0.00 C ATOM 859 OG SER A 63 1.863 6.516 10.639 1.00 0.00 O ATOM 0 H SER A 63 3.209 8.210 6.923 1.00 0.00 H new ATOM 0 HA SER A 63 1.479 7.065 7.846 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.182 6.103 9.109 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.512 7.576 9.999 1.00 0.00 H new ATOM 0 HG SER A 63 1.463 7.290 11.088 1.00 0.00 H new ATOM 864 N ASN A 64 0.238 9.467 8.404 1.00 0.00 N ATOM 865 CA ASN A 64 -0.818 10.331 8.905 1.00 0.00 C ATOM 866 C ASN A 64 -2.167 9.626 8.745 1.00 0.00 C ATOM 867 O ASN A 64 -3.197 10.277 8.584 1.00 0.00 O ATOM 868 CB ASN A 64 -0.875 11.642 8.119 1.00 0.00 C ATOM 869 CG ASN A 64 -1.181 12.823 9.043 1.00 0.00 C ATOM 870 OD1 ASN A 64 -0.447 13.126 9.969 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.304 13.469 8.742 1.00 0.00 N ATOM 0 H ASN A 64 0.449 9.581 7.413 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.609 10.546 9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.076 11.808 7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.640 11.573 7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.597 14.271 9.301 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.873 13.163 7.953 1.00 0.00 H new ATOM 877 N ASP A 65 -2.116 8.302 8.793 1.00 0.00 N ATOM 878 CA ASP A 65 -3.320 7.502 8.657 1.00 0.00 C ATOM 879 C ASP A 65 -4.221 8.121 7.587 1.00 0.00 C ATOM 880 O ASP A 65 -5.443 8.002 7.654 1.00 0.00 O ATOM 881 CB ASP A 65 -4.105 7.458 9.969 1.00 0.00 C ATOM 882 CG ASP A 65 -4.975 6.215 10.162 1.00 0.00 C ATOM 883 OD1 ASP A 65 -4.998 5.614 11.246 1.00 0.00 O ATOM 884 OD2 ASP A 65 -5.659 5.862 9.126 1.00 0.00 O ATOM 0 H ASP A 65 -1.259 7.764 8.924 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.022 6.490 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.401 7.522 10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.742 8.341 10.023 1.00 0.00 H new ATOM 889 N ASP A 66 -3.582 8.771 6.625 1.00 0.00 N ATOM 890 CA ASP A 66 -4.310 9.410 5.542 1.00 0.00 C ATOM 891 C ASP A 66 -3.348 9.700 4.387 1.00 0.00 C ATOM 892 O ASP A 66 -3.552 10.646 3.628 1.00 0.00 O ATOM 893 CB ASP A 66 -4.918 10.738 5.996 1.00 0.00 C ATOM 894 CG ASP A 66 -3.908 11.860 6.246 1.00 0.00 C ATOM 895 OD1 ASP A 66 -2.917 12.003 5.513 1.00 0.00 O ATOM 896 OD2 ASP A 66 -4.172 12.615 7.257 1.00 0.00 O ATOM 0 H ASP A 66 -2.568 8.869 6.573 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.108 8.737 5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.629 11.072 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.483 10.567 6.912 1.00 0.00 H new ATOM 901 N ALA A 67 -2.323 8.867 4.290 1.00 0.00 N ATOM 902 CA ALA A 67 -1.329 9.022 3.242 1.00 0.00 C ATOM 903 C ALA A 67 -2.008 8.887 1.878 1.00 0.00 C ATOM 904 O ALA A 67 -1.427 9.240 0.853 1.00 0.00 O ATOM 905 CB ALA A 67 -0.211 7.996 3.441 1.00 0.00 C ATOM 0 H ALA A 67 -2.159 8.082 4.920 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.874 10.012 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.534 8.113 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.259 8.153 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.629 6.990 3.399 1.00 0.00 H new ATOM 911 N VAL A 68 -3.229 8.374 1.909 1.00 0.00 N ATOM 912 CA VAL A 68 -3.994 8.187 0.688 1.00 0.00 C ATOM 913 C VAL A 68 -4.191 9.540 0.003 1.00 0.00 C ATOM 914 O VAL A 68 -4.078 9.644 -1.218 1.00 0.00 O ATOM 915 CB VAL A 68 -5.314 7.478 1.000 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.382 7.824 -0.039 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.113 5.964 1.096 1.00 0.00 C ATOM 0 H VAL A 68 -3.708 8.082 2.761 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.452 7.546 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.663 7.833 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.310 7.307 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.555 8.900 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.043 7.512 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.066 5.484 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.729 5.587 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.400 5.741 1.890 1.00 0.00 H new ATOM 927 N ARG A 69 -4.480 10.544 0.818 1.00 0.00 N ATOM 928 CA ARG A 69 -4.694 11.887 0.305 1.00 0.00 C ATOM 929 C ARG A 69 -3.635 12.229 -0.745 1.00 0.00 C ATOM 930 O ARG A 69 -3.867 13.066 -1.616 1.00 0.00 O ATOM 931 CB ARG A 69 -4.638 12.922 1.430 1.00 0.00 C ATOM 932 CG ARG A 69 -4.739 14.343 0.874 1.00 0.00 C ATOM 933 CD ARG A 69 -5.819 15.143 1.605 1.00 0.00 C ATOM 934 NE ARG A 69 -6.950 15.419 0.692 1.00 0.00 N ATOM 935 CZ ARG A 69 -7.991 14.581 0.502 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.053 13.405 1.163 1.00 0.00 N ATOM 937 NH2 ARG A 69 -8.948 14.928 -0.338 1.00 0.00 N ATOM 0 H ARG A 69 -4.571 10.455 1.830 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.684 11.914 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.452 12.744 2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.707 12.810 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.777 14.846 0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.968 14.305 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.170 14.586 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.402 16.080 1.974 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.943 16.297 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.310 13.145 1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.843 12.777 1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.894 15.818 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.741 14.306 -0.493 1.00 0.00 H new ATOM 947 N VAL A 70 -2.496 11.561 -0.630 1.00 0.00 N ATOM 948 CA VAL A 70 -1.401 11.784 -1.558 1.00 0.00 C ATOM 949 C VAL A 70 -1.252 10.562 -2.467 1.00 0.00 C ATOM 950 O VAL A 70 -1.083 10.701 -3.678 1.00 0.00 O ATOM 951 CB VAL A 70 -0.121 12.115 -0.788 1.00 0.00 C ATOM 952 CG1 VAL A 70 1.006 11.147 -1.155 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.303 13.565 -1.029 1.00 0.00 C ATOM 0 H VAL A 70 -2.308 10.865 0.092 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.611 12.642 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.330 11.998 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.904 11.405 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.705 10.128 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.213 11.218 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.215 13.775 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.485 13.719 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.489 14.236 -0.696 1.00 0.00 H new ATOM 963 N LEU A 71 -1.321 9.393 -1.849 1.00 0.00 N ATOM 964 CA LEU A 71 -1.197 8.146 -2.586 1.00 0.00 C ATOM 965 C LEU A 71 -2.189 8.148 -3.751 1.00 0.00 C ATOM 966 O LEU A 71 -1.861 7.707 -4.851 1.00 0.00 O ATOM 967 CB LEU A 71 -1.351 6.950 -1.647 1.00 0.00 C ATOM 968 CG LEU A 71 -0.374 5.793 -1.867 1.00 0.00 C ATOM 969 CD1 LEU A 71 -0.434 5.293 -3.312 1.00 0.00 C ATOM 970 CD2 LEU A 71 1.045 6.188 -1.455 1.00 0.00 C ATOM 0 H LEU A 71 -1.461 9.282 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.200 8.055 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.241 7.302 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.366 6.565 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.675 4.964 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.270 4.471 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.443 4.946 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.172 6.106 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.719 5.348 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.373 7.040 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.055 6.458 -0.399 1.00 0.00 H new ATOM 981 N ARG A 72 -3.383 8.647 -3.468 1.00 0.00 N ATOM 982 CA ARG A 72 -4.426 8.710 -4.478 1.00 0.00 C ATOM 983 C ARG A 72 -4.029 9.682 -5.591 1.00 0.00 C ATOM 984 O ARG A 72 -4.593 9.645 -6.682 1.00 0.00 O ATOM 985 CB ARG A 72 -5.756 9.159 -3.870 1.00 0.00 C ATOM 986 CG ARG A 72 -6.912 8.926 -4.844 1.00 0.00 C ATOM 987 CD ARG A 72 -8.193 9.598 -4.347 1.00 0.00 C ATOM 988 NE ARG A 72 -8.252 10.995 -4.832 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.370 11.751 -4.830 1.00 0.00 C ATOM 990 NH1 ARG A 72 -10.535 11.249 -4.366 1.00 0.00 N ATOM 991 NH2 ARG A 72 -9.309 12.988 -5.286 1.00 0.00 N ATOM 0 H ARG A 72 -3.652 9.011 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.548 7.709 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.940 8.612 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.702 10.216 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.649 9.318 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.081 7.856 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.064 9.045 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.223 9.581 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.393 11.413 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.574 10.292 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.376 11.826 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.425 13.360 -5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.146 13.572 -5.291 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.059 10.529 -5.275 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.579 11.508 -6.235 1.00 0.00 C ATOM 1003 C GLU A 73 -1.611 10.854 -7.223 1.00 0.00 C ATOM 1004 O GLU A 73 -1.395 11.369 -8.319 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.921 12.693 -5.526 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.398 12.636 -5.660 1.00 0.00 C ATOM 1007 CD GLU A 73 0.254 13.877 -5.048 1.00 0.00 C ATOM 1008 OE1 GLU A 73 0.903 13.781 -3.995 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.068 14.971 -5.706 1.00 0.00 O ATOM 0 H GLU A 73 -2.593 10.557 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.434 11.889 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.292 13.626 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.197 12.689 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.019 11.741 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.125 12.559 -6.712 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.055 9.728 -6.800 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.115 8.998 -7.633 1.00 0.00 C ATOM 1017 C ILE A 74 -0.856 8.415 -8.839 1.00 0.00 C ATOM 1018 O ILE A 74 -0.965 9.065 -9.878 1.00 0.00 O ATOM 1019 CB ILE A 74 0.633 7.951 -6.806 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.194 8.565 -5.522 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.722 7.271 -7.638 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.637 9.032 -5.722 1.00 0.00 C ATOM 0 H ILE A 74 -1.238 9.303 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 74 0.651 9.669 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.077 7.179 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.574 9.408 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.154 7.832 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.239 6.531 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.268 6.778 -8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.436 8.019 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.011 9.464 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.259 8.182 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.670 9.783 -6.511 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.343 7.197 -8.660 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.071 6.519 -9.721 1.00 0.00 C ATOM 1035 C VAL A 75 -2.940 7.533 -10.465 1.00 0.00 C ATOM 1036 O VAL A 75 -3.060 7.474 -11.689 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.875 5.354 -9.141 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.089 4.045 -9.236 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.292 5.639 -7.697 1.00 0.00 C ATOM 0 H VAL A 75 -1.249 6.661 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.379 6.090 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.782 5.245 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.683 3.233 -8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.866 3.830 -10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.157 4.139 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.862 4.795 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.403 5.788 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.909 6.537 -7.667 1.00 0.00 H new ATOM 1049 N SER A 76 -3.524 8.442 -9.698 1.00 0.00 N ATOM 1050 CA SER A 76 -4.379 9.467 -10.270 1.00 0.00 C ATOM 1051 C SER A 76 -3.642 10.194 -11.397 1.00 0.00 C ATOM 1052 O SER A 76 -4.051 10.127 -12.555 1.00 0.00 O ATOM 1053 CB SER A 76 -4.833 10.465 -9.203 1.00 0.00 C ATOM 1054 OG SER A 76 -5.314 11.678 -9.775 1.00 0.00 O ATOM 0 H SER A 76 -3.421 8.490 -8.684 1.00 0.00 H new ATOM 0 HA SER A 76 -5.267 8.983 -10.677 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.618 10.014 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.000 10.685 -8.535 1.00 0.00 H new ATOM 0 HG SER A 76 -5.595 12.287 -9.061 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.569 10.872 -11.018 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.771 11.610 -11.982 1.00 0.00 C ATOM 1061 C GLN A 77 -0.285 11.312 -11.781 1.00 0.00 C ATOM 1062 O GLN A 77 0.115 10.151 -11.711 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.047 13.112 -11.887 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.547 13.401 -11.974 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.822 14.595 -12.892 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.921 15.231 -13.413 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -5.115 14.860 -13.059 1.00 0.00 N ATOM 0 H GLN A 77 -2.233 10.926 -10.056 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.054 11.284 -12.983 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.652 13.499 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.526 13.633 -12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.070 12.521 -12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.940 13.605 -10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.818 14.286 -12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.404 15.637 -13.654 1.00 0.00 H new ATOM 1074 N THR A 78 0.494 12.379 -11.693 1.00 0.00 N ATOM 1075 CA THR A 78 1.929 12.247 -11.501 1.00 0.00 C ATOM 1076 C THR A 78 2.229 11.168 -10.459 1.00 0.00 C ATOM 1077 O THR A 78 1.335 10.732 -9.735 1.00 0.00 O ATOM 1078 CB THR A 78 2.485 13.622 -11.130 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.786 13.970 -9.937 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.081 14.708 -12.129 1.00 0.00 C ATOM 0 H THR A 78 0.159 13.341 -11.751 1.00 0.00 H new ATOM 0 HA THR A 78 2.423 11.918 -12.416 1.00 0.00 H new ATOM 0 HB THR A 78 3.572 13.569 -11.073 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.087 14.849 -9.626 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.502 15.664 -11.818 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.458 14.450 -13.119 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.994 14.785 -12.163 1.00 0.00 H new ATOM 1088 N GLY A 79 3.491 10.766 -10.416 1.00 0.00 N ATOM 1089 CA GLY A 79 3.921 9.747 -9.476 1.00 0.00 C ATOM 1090 C GLY A 79 3.987 8.374 -10.147 1.00 0.00 C ATOM 1091 O GLY A 79 2.983 7.877 -10.654 1.00 0.00 O ATOM 0 H GLY A 79 4.230 11.129 -11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.901 10.007 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.231 9.711 -8.633 1.00 0.00 H new ATOM 1095 N PRO A 80 5.213 7.784 -10.129 1.00 0.00 N ATOM 1096 CA PRO A 80 5.423 6.478 -10.730 1.00 0.00 C ATOM 1097 C PRO A 80 4.839 5.369 -9.853 1.00 0.00 C ATOM 1098 O PRO A 80 4.868 5.463 -8.626 1.00 0.00 O ATOM 1099 CB PRO A 80 6.929 6.364 -10.906 1.00 0.00 C ATOM 1100 CG PRO A 80 7.537 7.403 -9.978 1.00 0.00 C ATOM 1101 CD PRO A 80 6.425 8.342 -9.538 1.00 0.00 C ATOM 0 HA PRO A 80 4.913 6.369 -11.687 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.277 5.363 -10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.216 6.549 -11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.995 6.922 -9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.325 7.957 -10.489 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.351 8.387 -8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.604 9.359 -9.887 1.00 0.00 H new ATOM 1106 N ILE A 81 4.322 4.345 -10.515 1.00 0.00 N ATOM 1107 CA ILE A 81 3.731 3.220 -9.811 1.00 0.00 C ATOM 1108 C ILE A 81 4.844 2.305 -9.296 1.00 0.00 C ATOM 1109 O ILE A 81 5.888 2.173 -9.932 1.00 0.00 O ATOM 1110 CB ILE A 81 2.711 2.506 -10.700 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.302 3.053 -10.466 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.778 0.991 -10.505 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.385 2.734 -11.649 1.00 0.00 C ATOM 0 H ILE A 81 4.300 4.271 -11.532 1.00 0.00 H new ATOM 0 HA ILE A 81 3.173 3.566 -8.941 1.00 0.00 H new ATOM 0 HB ILE A 81 2.965 2.707 -11.741 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.888 2.622 -9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.347 4.132 -10.317 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.043 0.508 -11.149 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.775 0.635 -10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.564 0.748 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.610 3.134 -11.456 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.789 3.186 -12.555 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.322 1.654 -11.780 1.00 0.00 H new ATOM 1124 N SER A 82 4.583 1.696 -8.148 1.00 0.00 N ATOM 1125 CA SER A 82 5.549 0.798 -7.541 1.00 0.00 C ATOM 1126 C SER A 82 5.360 0.775 -6.022 1.00 0.00 C ATOM 1127 O SER A 82 6.321 0.930 -5.271 1.00 0.00 O ATOM 1128 CB SER A 82 6.980 1.210 -7.891 1.00 0.00 C ATOM 1129 OG SER A 82 7.462 0.534 -9.049 1.00 0.00 O ATOM 0 H SER A 82 3.716 1.808 -7.623 1.00 0.00 H new ATOM 0 HA SER A 82 5.381 -0.203 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.017 2.286 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.636 0.996 -7.047 1.00 0.00 H new ATOM 0 HG SER A 82 7.047 0.919 -9.849 1.00 0.00 H new ATOM 1134 N LEU A 83 4.114 0.580 -5.616 1.00 0.00 N ATOM 1135 CA LEU A 83 3.787 0.535 -4.201 1.00 0.00 C ATOM 1136 C LEU A 83 4.932 -0.133 -3.438 1.00 0.00 C ATOM 1137 O LEU A 83 5.656 -0.956 -3.995 1.00 0.00 O ATOM 1138 CB LEU A 83 2.429 -0.137 -3.987 1.00 0.00 C ATOM 1139 CG LEU A 83 1.263 0.433 -4.796 1.00 0.00 C ATOM 1140 CD1 LEU A 83 -0.076 0.123 -4.123 1.00 0.00 C ATOM 1141 CD2 LEU A 83 1.447 1.931 -5.044 1.00 0.00 C ATOM 0 H LEU A 83 3.319 0.451 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 83 3.684 1.544 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.528 -1.196 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.177 -0.072 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 83 1.254 -0.055 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.888 0.540 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.202 -0.957 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.093 0.565 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.604 2.310 -5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.498 2.454 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.371 2.097 -5.599 1.00 0.00 H new ATOM 1152 N THR A 84 5.059 0.244 -2.174 1.00 0.00 N ATOM 1153 CA THR A 84 6.103 -0.309 -1.330 1.00 0.00 C ATOM 1154 C THR A 84 5.574 -0.547 0.086 1.00 0.00 C ATOM 1155 O THR A 84 4.760 0.227 0.586 1.00 0.00 O ATOM 1156 CB THR A 84 7.302 0.641 -1.378 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.735 0.585 -2.734 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.498 0.115 -0.582 1.00 0.00 C ATOM 0 H THR A 84 4.456 0.926 -1.714 1.00 0.00 H new ATOM 0 HA THR A 84 6.428 -1.285 -1.691 1.00 0.00 H new ATOM 0 HB THR A 84 7.008 1.616 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.220 1.407 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.321 0.827 -0.649 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.212 -0.012 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.814 -0.845 -0.991 1.00 0.00 H new ATOM 1166 N VAL A 85 6.057 -1.622 0.690 1.00 0.00 N ATOM 1167 CA VAL A 85 5.642 -1.973 2.038 1.00 0.00 C ATOM 1168 C VAL A 85 6.877 -2.312 2.875 1.00 0.00 C ATOM 1169 O VAL A 85 7.892 -2.755 2.339 1.00 0.00 O ATOM 1170 CB VAL A 85 4.620 -3.111 1.992 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.534 -2.831 0.952 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.306 -4.453 1.721 1.00 0.00 C ATOM 0 H VAL A 85 6.732 -2.262 0.271 1.00 0.00 H new ATOM 0 HA VAL A 85 5.146 -1.129 2.517 1.00 0.00 H new ATOM 0 HB VAL A 85 4.140 -3.171 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.821 -3.655 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.016 -1.906 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.990 -2.732 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.558 -5.245 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.824 -4.410 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.025 -4.661 2.514 1.00 0.00 H new ATOM 1182 N ALA A 86 6.750 -2.091 4.175 1.00 0.00 N ATOM 1183 CA ALA A 86 7.844 -2.368 5.091 1.00 0.00 C ATOM 1184 C ALA A 86 7.479 -3.566 5.967 1.00 0.00 C ATOM 1185 O ALA A 86 7.802 -3.595 7.154 1.00 0.00 O ATOM 1186 CB ALA A 86 8.148 -1.114 5.915 1.00 0.00 C ATOM 0 H ALA A 86 5.907 -1.724 4.616 1.00 0.00 H new ATOM 0 HA ALA A 86 8.749 -2.626 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.968 -1.320 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.430 -0.300 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.262 -0.828 6.482 1.00 0.00 H new