USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 570 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 Set 1.1: A 71 ASN :FLIP amide:sc= 0.641 F(o=0.73,f=1.4) USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.753 USER MOD Set 2.1: A 61 THR OG1 : rot -88:sc= 0.669 USER MOD Set 2.2: A 75 TYR OH : rot 15:sc= 0.474 USER MOD Set 3.1: A 52 GLN : amide:sc= 0.751 K(o=1.2,f=-3.2!) USER MOD Set 3.2: A 53 GLN : amide:sc= 0.441 K(o=1.2,f=-0.59) USER MOD Single : A 36 ASN : amide:sc= -0.0572 K(o=-0.057,f=-1.7) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 0.828 (180deg=-1.06!) USER MOD Single : A 50 MET CE :methyl -158:sc= -0.0109 (180deg=-0.145) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00906 USER MOD Single : A 54 GLN : amide:sc= -0.799! C(o=-0.8!,f=-0.82!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 79 GLN : amide:sc= -4.72! C(o=-4.7!,f=-9.4!) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 16:sc= 0.932 USER MOD Single : A 88 GLN : amide:sc= 1.45 K(o=1.4,f=-2.5!) USER MOD Single : A 89 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.79) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0.145 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0486 USER MOD Single : A 103 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.59) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 107 LYS NZ :NH3+ -147:sc= 1 (180deg=-0.831) USER MOD ----------------------------------------------------------------- ATOM 257 N ASN A 36 -3.739 -16.504 11.647 1.00 0.00 N ATOM 258 CA ASN A 36 -4.930 -15.719 11.358 1.00 0.00 C ATOM 259 C ASN A 36 -4.507 -14.334 10.891 1.00 0.00 C ATOM 260 O ASN A 36 -4.654 -13.987 9.718 1.00 0.00 O ATOM 261 CB ASN A 36 -5.831 -15.614 12.597 1.00 0.00 C ATOM 262 CG ASN A 36 -7.177 -14.970 12.295 1.00 0.00 C ATOM 263 OD1 ASN A 36 -7.481 -14.638 11.148 1.00 0.00 O ATOM 264 ND2 ASN A 36 -7.994 -14.788 13.322 1.00 0.00 N ATOM 0 HA ASN A 36 -5.503 -16.213 10.573 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.994 -16.611 13.007 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.319 -15.033 13.364 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.909 -14.360 13.177 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.708 -15.075 14.258 1.00 0.00 H new ATOM 271 N TYR A 37 -3.944 -13.568 11.810 1.00 0.00 N ATOM 272 CA TYR A 37 -3.433 -12.241 11.514 1.00 0.00 C ATOM 273 C TYR A 37 -2.426 -11.845 12.585 1.00 0.00 C ATOM 274 O TYR A 37 -2.543 -12.269 13.734 1.00 0.00 O ATOM 275 CB TYR A 37 -4.576 -11.215 11.411 1.00 0.00 C ATOM 276 CG TYR A 37 -5.137 -10.744 12.738 1.00 0.00 C ATOM 277 CD1 TYR A 37 -5.862 -11.598 13.563 1.00 0.00 C ATOM 278 CD2 TYR A 37 -4.954 -9.431 13.157 1.00 0.00 C ATOM 279 CE1 TYR A 37 -6.377 -11.160 14.769 1.00 0.00 C ATOM 280 CE2 TYR A 37 -5.467 -8.987 14.360 1.00 0.00 C ATOM 281 CZ TYR A 37 -6.180 -9.853 15.160 1.00 0.00 C ATOM 282 OH TYR A 37 -6.696 -9.410 16.358 1.00 0.00 O ATOM 0 H TYR A 37 -3.828 -13.849 12.784 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.934 -12.256 10.545 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.216 -10.348 10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.385 -11.653 10.827 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.025 -12.621 13.256 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.401 -8.746 12.531 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.931 -11.838 15.401 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.310 -7.965 14.672 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.467 -8.466 16.484 1.00 0.00 H new ATOM 292 N LEU A 38 -1.434 -11.055 12.211 1.00 0.00 N ATOM 293 CA LEU A 38 -0.357 -10.711 13.130 1.00 0.00 C ATOM 294 C LEU A 38 -0.818 -9.686 14.162 1.00 0.00 C ATOM 295 O LEU A 38 -1.936 -9.177 14.100 1.00 0.00 O ATOM 296 CB LEU A 38 0.849 -10.170 12.356 1.00 0.00 C ATOM 297 CG LEU A 38 2.167 -10.938 12.539 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.322 -9.971 12.738 1.00 0.00 C ATOM 299 CD2 LEU A 38 2.089 -11.916 13.706 1.00 0.00 C ATOM 0 H LEU A 38 -1.350 -10.640 11.283 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.065 -11.618 13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.601 -10.162 11.295 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.011 -9.134 12.653 1.00 0.00 H new ATOM 0 HG LEU A 38 2.341 -11.516 11.631 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.248 -10.532 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.408 -9.323 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.140 -9.364 13.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.039 -12.441 13.805 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.879 -11.369 14.625 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.293 -12.638 13.523 1.00 0.00 H new ATOM 311 N THR A 39 0.047 -9.398 15.117 1.00 0.00 N ATOM 312 CA THR A 39 -0.229 -8.385 16.118 1.00 0.00 C ATOM 313 C THR A 39 0.929 -7.400 16.183 1.00 0.00 C ATOM 314 O THR A 39 2.066 -7.751 15.860 1.00 0.00 O ATOM 315 CB THR A 39 -0.473 -9.009 17.515 1.00 0.00 C ATOM 316 OG1 THR A 39 -0.379 -8.007 18.536 1.00 0.00 O ATOM 317 CG2 THR A 39 0.526 -10.119 17.801 1.00 0.00 C ATOM 0 H THR A 39 0.953 -9.855 15.220 1.00 0.00 H new ATOM 0 HA THR A 39 -1.141 -7.864 15.826 1.00 0.00 H new ATOM 0 HB THR A 39 -1.477 -9.433 17.517 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.537 -8.417 19.412 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.331 -10.539 18.788 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.427 -10.901 17.048 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.538 -9.714 17.772 1.00 0.00 H new ATOM 325 N ALA A 40 0.641 -6.170 16.594 1.00 0.00 N ATOM 326 CA ALA A 40 1.665 -5.139 16.709 1.00 0.00 C ATOM 327 C ALA A 40 2.681 -5.496 17.792 1.00 0.00 C ATOM 328 O ALA A 40 3.809 -4.996 17.791 1.00 0.00 O ATOM 329 CB ALA A 40 1.030 -3.789 17.007 1.00 0.00 C ATOM 0 H ALA A 40 -0.296 -5.862 16.854 1.00 0.00 H new ATOM 0 HA ALA A 40 2.190 -5.077 15.756 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.809 -3.031 17.090 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.348 -3.522 16.200 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.478 -3.846 17.945 1.00 0.00 H new ATOM 335 N ASN A 41 2.278 -6.368 18.709 1.00 0.00 N ATOM 336 CA ASN A 41 3.152 -6.793 19.797 1.00 0.00 C ATOM 337 C ASN A 41 4.224 -7.751 19.293 1.00 0.00 C ATOM 338 O ASN A 41 5.362 -7.729 19.761 1.00 0.00 O ATOM 339 CB ASN A 41 2.346 -7.472 20.909 1.00 0.00 C ATOM 340 CG ASN A 41 3.220 -7.888 22.077 1.00 0.00 C ATOM 341 OD1 ASN A 41 3.788 -7.045 22.771 1.00 0.00 O ATOM 342 ND2 ASN A 41 3.340 -9.187 22.301 1.00 0.00 N ATOM 0 H ASN A 41 1.352 -6.795 18.721 1.00 0.00 H new ATOM 0 HA ASN A 41 3.634 -5.901 20.198 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.571 -6.791 21.261 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.840 -8.349 20.505 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.919 -9.520 23.071 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.853 -9.855 21.703 1.00 0.00 H new ATOM 349 N ASP A 42 3.862 -8.576 18.319 1.00 0.00 N ATOM 350 CA ASP A 42 4.774 -9.595 17.810 1.00 0.00 C ATOM 351 C ASP A 42 5.907 -8.965 17.011 1.00 0.00 C ATOM 352 O ASP A 42 6.972 -9.559 16.845 1.00 0.00 O ATOM 353 CB ASP A 42 4.025 -10.622 16.963 1.00 0.00 C ATOM 354 CG ASP A 42 4.088 -12.004 17.582 1.00 0.00 C ATOM 355 OD1 ASP A 42 3.576 -12.181 18.706 1.00 0.00 O ATOM 356 OD2 ASP A 42 4.677 -12.912 16.967 1.00 0.00 O ATOM 0 H ASP A 42 2.948 -8.561 17.867 1.00 0.00 H new ATOM 0 HA ASP A 42 5.209 -10.110 18.666 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.984 -10.317 16.856 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.453 -10.651 15.961 1.00 0.00 H new ATOM 361 N VAL A 43 5.683 -7.742 16.548 1.00 0.00 N ATOM 362 CA VAL A 43 6.716 -6.989 15.846 1.00 0.00 C ATOM 363 C VAL A 43 7.840 -6.607 16.811 1.00 0.00 C ATOM 364 O VAL A 43 8.941 -6.255 16.394 1.00 0.00 O ATOM 365 CB VAL A 43 6.150 -5.713 15.182 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.054 -5.255 14.045 1.00 0.00 C ATOM 367 CG2 VAL A 43 4.735 -5.947 14.672 1.00 0.00 C ATOM 0 H VAL A 43 4.795 -7.250 16.646 1.00 0.00 H new ATOM 0 HA VAL A 43 7.108 -7.633 15.059 1.00 0.00 H new ATOM 0 HB VAL A 43 6.115 -4.927 15.937 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.639 -4.356 13.590 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.048 -5.038 14.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.122 -6.043 13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.359 -5.034 14.209 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.742 -6.751 13.936 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.089 -6.224 15.505 1.00 0.00 H new ATOM 377 N SER A 44 7.552 -6.684 18.106 1.00 0.00 N ATOM 378 CA SER A 44 8.544 -6.399 19.133 1.00 0.00 C ATOM 379 C SER A 44 9.292 -7.672 19.534 1.00 0.00 C ATOM 380 O SER A 44 10.274 -7.620 20.278 1.00 0.00 O ATOM 381 CB SER A 44 7.867 -5.774 20.355 1.00 0.00 C ATOM 382 OG SER A 44 6.858 -4.854 19.962 1.00 0.00 O ATOM 0 H SER A 44 6.635 -6.943 18.469 1.00 0.00 H new ATOM 0 HA SER A 44 9.268 -5.692 18.728 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.429 -6.558 20.973 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.611 -5.264 20.967 1.00 0.00 H new ATOM 0 HG SER A 44 6.438 -4.469 20.759 1.00 0.00 H new ATOM 388 N LYS A 45 8.820 -8.813 19.039 1.00 0.00 N ATOM 389 CA LYS A 45 9.464 -10.091 19.319 1.00 0.00 C ATOM 390 C LYS A 45 10.629 -10.309 18.363 1.00 0.00 C ATOM 391 O LYS A 45 11.625 -10.951 18.705 1.00 0.00 O ATOM 392 CB LYS A 45 8.464 -11.248 19.187 1.00 0.00 C ATOM 393 CG LYS A 45 7.249 -11.135 20.102 1.00 0.00 C ATOM 394 CD LYS A 45 6.710 -12.503 20.519 1.00 0.00 C ATOM 395 CE LYS A 45 6.857 -13.541 19.413 1.00 0.00 C ATOM 396 NZ LYS A 45 5.577 -14.233 19.112 1.00 0.00 N ATOM 0 H LYS A 45 7.995 -8.878 18.443 1.00 0.00 H new ATOM 0 HA LYS A 45 9.835 -10.068 20.344 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.122 -11.301 18.153 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.979 -12.184 19.401 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.518 -10.566 20.992 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.463 -10.577 19.593 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.240 -12.845 21.408 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.658 -12.410 20.790 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.226 -13.055 18.509 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.605 -14.278 19.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.734 -15.261 19.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.876 -14.001 19.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.224 -13.922 18.184 1.00 0.00 H new ATOM 410 N ILE A 46 10.502 -9.762 17.163 1.00 0.00 N ATOM 411 CA ILE A 46 11.534 -9.898 16.150 1.00 0.00 C ATOM 412 C ILE A 46 12.589 -8.816 16.304 1.00 0.00 C ATOM 413 O ILE A 46 12.283 -7.684 16.675 1.00 0.00 O ATOM 414 CB ILE A 46 10.961 -9.840 14.724 1.00 0.00 C ATOM 415 CG1 ILE A 46 9.708 -8.961 14.683 1.00 0.00 C ATOM 416 CG2 ILE A 46 10.664 -11.251 14.236 1.00 0.00 C ATOM 417 CD1 ILE A 46 8.780 -9.279 13.534 1.00 0.00 C ATOM 0 H ILE A 46 9.691 -9.218 16.868 1.00 0.00 H new ATOM 0 HA ILE A 46 11.986 -10.879 16.299 1.00 0.00 H new ATOM 0 HB ILE A 46 11.698 -9.391 14.058 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.164 -9.076 15.620 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.010 -7.916 14.616 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.258 -11.209 13.225 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.584 -11.836 14.233 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.937 -11.720 14.899 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.915 -8.616 13.571 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.307 -9.136 12.591 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.447 -10.314 13.611 1.00 0.00 H new ATOM 429 N ARG A 47 13.826 -9.176 16.018 1.00 0.00 N ATOM 430 CA ARG A 47 14.950 -8.260 16.152 1.00 0.00 C ATOM 431 C ARG A 47 15.733 -8.229 14.853 1.00 0.00 C ATOM 432 O ARG A 47 15.708 -9.195 14.094 1.00 0.00 O ATOM 433 CB ARG A 47 15.871 -8.706 17.295 1.00 0.00 C ATOM 434 CG ARG A 47 15.142 -8.974 18.601 1.00 0.00 C ATOM 435 CD ARG A 47 14.970 -10.464 18.856 1.00 0.00 C ATOM 436 NE ARG A 47 15.367 -10.842 20.211 1.00 0.00 N ATOM 437 CZ ARG A 47 14.510 -11.129 21.187 1.00 0.00 C ATOM 438 NH1 ARG A 47 13.201 -11.073 20.968 1.00 0.00 N ATOM 439 NH2 ARG A 47 14.965 -11.483 22.382 1.00 0.00 N ATOM 0 H ARG A 47 14.082 -10.106 15.688 1.00 0.00 H new ATOM 0 HA ARG A 47 14.568 -7.264 16.377 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.399 -9.610 16.992 1.00 0.00 H new ATOM 0 HB3 ARG A 47 16.626 -7.937 17.462 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.696 -8.526 19.425 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.164 -8.494 18.576 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.928 -10.741 18.694 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.565 -11.025 18.135 1.00 0.00 H new ATOM 0 HE ARG A 47 16.364 -10.889 20.421 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.849 -10.809 20.048 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.548 -11.294 21.720 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.970 -11.535 22.550 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.310 -11.704 23.132 1.00 0.00 H new ATOM 453 N VAL A 48 16.429 -7.134 14.591 1.00 0.00 N ATOM 454 CA VAL A 48 17.256 -7.046 13.396 1.00 0.00 C ATOM 455 C VAL A 48 18.514 -7.884 13.574 1.00 0.00 C ATOM 456 O VAL A 48 19.014 -8.041 14.689 1.00 0.00 O ATOM 457 CB VAL A 48 17.646 -5.593 13.049 1.00 0.00 C ATOM 458 CG1 VAL A 48 16.605 -4.967 12.136 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.832 -4.760 14.307 1.00 0.00 C ATOM 0 H VAL A 48 16.439 -6.302 15.181 1.00 0.00 H new ATOM 0 HA VAL A 48 16.662 -7.430 12.567 1.00 0.00 H new ATOM 0 HB VAL A 48 18.599 -5.615 12.521 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.895 -3.943 11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.535 -5.545 11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.637 -4.964 12.637 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.106 -3.742 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.901 -4.745 14.874 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.622 -5.196 14.918 1.00 0.00 H new ATOM 469 N GLY A 49 19.009 -8.437 12.481 1.00 0.00 N ATOM 470 CA GLY A 49 20.139 -9.339 12.553 1.00 0.00 C ATOM 471 C GLY A 49 19.727 -10.736 12.970 1.00 0.00 C ATOM 472 O GLY A 49 20.553 -11.650 13.007 1.00 0.00 O ATOM 0 H GLY A 49 18.648 -8.278 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.631 -9.381 11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.869 -8.950 13.263 1.00 0.00 H new ATOM 476 N MET A 50 18.449 -10.903 13.289 1.00 0.00 N ATOM 477 CA MET A 50 17.918 -12.213 13.629 1.00 0.00 C ATOM 478 C MET A 50 17.769 -13.041 12.364 1.00 0.00 C ATOM 479 O MET A 50 17.351 -12.525 11.327 1.00 0.00 O ATOM 480 CB MET A 50 16.563 -12.091 14.337 1.00 0.00 C ATOM 481 CG MET A 50 16.667 -11.963 15.850 1.00 0.00 C ATOM 482 SD MET A 50 17.523 -13.356 16.612 1.00 0.00 S ATOM 483 CE MET A 50 19.064 -12.585 17.107 1.00 0.00 C ATOM 0 H MET A 50 17.764 -10.148 13.319 1.00 0.00 H new ATOM 0 HA MET A 50 18.613 -12.704 14.311 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.036 -11.222 13.944 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.959 -12.966 14.097 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.193 -11.040 16.097 1.00 0.00 H new ATOM 0 HG3 MET A 50 15.666 -11.882 16.273 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.832 -13.350 17.225 1.00 0.00 H new ATOM 0 HE2 MET A 50 19.376 -11.873 16.343 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.922 -12.063 18.054 1.00 0.00 H new ATOM 493 N THR A 51 18.127 -14.312 12.447 1.00 0.00 N ATOM 494 CA THR A 51 18.050 -15.199 11.301 1.00 0.00 C ATOM 495 C THR A 51 16.613 -15.677 11.087 1.00 0.00 C ATOM 496 O THR A 51 15.815 -15.718 12.030 1.00 0.00 O ATOM 497 CB THR A 51 18.997 -16.409 11.469 1.00 0.00 C ATOM 498 OG1 THR A 51 18.867 -17.310 10.360 1.00 0.00 O ATOM 499 CG2 THR A 51 18.707 -17.145 12.765 1.00 0.00 C ATOM 0 H THR A 51 18.474 -14.752 13.299 1.00 0.00 H new ATOM 0 HA THR A 51 18.367 -14.638 10.422 1.00 0.00 H new ATOM 0 HB THR A 51 20.019 -16.032 11.501 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.475 -18.069 10.482 1.00 0.00 H new ATOM 0 HG21 THR A 51 19.385 -17.993 12.862 1.00 0.00 H new ATOM 0 HG22 THR A 51 18.849 -16.468 13.607 1.00 0.00 H new ATOM 0 HG23 THR A 51 17.678 -17.503 12.757 1.00 0.00 H new ATOM 507 N GLN A 52 16.299 -16.038 9.842 1.00 0.00 N ATOM 508 CA GLN A 52 14.955 -16.461 9.452 1.00 0.00 C ATOM 509 C GLN A 52 14.431 -17.583 10.344 1.00 0.00 C ATOM 510 O GLN A 52 13.244 -17.625 10.662 1.00 0.00 O ATOM 511 CB GLN A 52 14.941 -16.918 7.986 1.00 0.00 C ATOM 512 CG GLN A 52 16.256 -17.516 7.512 1.00 0.00 C ATOM 513 CD GLN A 52 16.142 -18.991 7.179 1.00 0.00 C ATOM 514 OE1 GLN A 52 15.725 -19.799 8.009 1.00 0.00 O ATOM 515 NE2 GLN A 52 16.507 -19.352 5.960 1.00 0.00 N ATOM 0 H GLN A 52 16.971 -16.045 9.075 1.00 0.00 H new ATOM 0 HA GLN A 52 14.298 -15.599 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.150 -17.656 7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.692 -16.066 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.600 -16.974 6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 52 17.012 -17.380 8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 52 16.847 -18.652 5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.448 -20.331 5.679 1.00 0.00 H new ATOM 524 N GLN A 53 15.323 -18.478 10.755 1.00 0.00 N ATOM 525 CA GLN A 53 14.946 -19.597 11.610 1.00 0.00 C ATOM 526 C GLN A 53 14.372 -19.094 12.928 1.00 0.00 C ATOM 527 O GLN A 53 13.359 -19.592 13.409 1.00 0.00 O ATOM 528 CB GLN A 53 16.157 -20.494 11.878 1.00 0.00 C ATOM 529 CG GLN A 53 16.419 -21.512 10.779 1.00 0.00 C ATOM 530 CD GLN A 53 15.195 -22.342 10.444 1.00 0.00 C ATOM 531 OE1 GLN A 53 14.860 -23.291 11.152 1.00 0.00 O ATOM 532 NE2 GLN A 53 14.525 -21.995 9.357 1.00 0.00 N ATOM 0 H GLN A 53 16.313 -18.450 10.510 1.00 0.00 H new ATOM 0 HA GLN A 53 14.182 -20.178 11.094 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.041 -19.869 12.000 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.006 -21.021 12.820 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.757 -20.993 9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.228 -22.174 11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.837 -21.201 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.697 -22.521 9.079 1.00 0.00 H new ATOM 541 N GLN A 54 15.010 -18.079 13.488 1.00 0.00 N ATOM 542 CA GLN A 54 14.593 -17.531 14.766 1.00 0.00 C ATOM 543 C GLN A 54 13.363 -16.655 14.595 1.00 0.00 C ATOM 544 O GLN A 54 12.497 -16.621 15.466 1.00 0.00 O ATOM 545 CB GLN A 54 15.739 -16.738 15.395 1.00 0.00 C ATOM 546 CG GLN A 54 16.717 -17.605 16.170 1.00 0.00 C ATOM 547 CD GLN A 54 16.056 -18.811 16.805 1.00 0.00 C ATOM 548 OE1 GLN A 54 15.295 -18.686 17.766 1.00 0.00 O ATOM 549 NE2 GLN A 54 16.342 -19.984 16.268 1.00 0.00 N ATOM 0 H GLN A 54 15.821 -17.618 13.075 1.00 0.00 H new ATOM 0 HA GLN A 54 14.332 -18.353 15.432 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.278 -16.207 14.610 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.325 -15.983 16.064 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.508 -17.941 15.500 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.191 -17.005 16.947 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.978 -20.039 15.472 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.927 -20.834 16.649 1.00 0.00 H new ATOM 558 N VAL A 55 13.288 -15.956 13.470 1.00 0.00 N ATOM 559 CA VAL A 55 12.111 -15.161 13.152 1.00 0.00 C ATOM 560 C VAL A 55 10.887 -16.068 13.044 1.00 0.00 C ATOM 561 O VAL A 55 9.831 -15.783 13.617 1.00 0.00 O ATOM 562 CB VAL A 55 12.297 -14.376 11.834 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.023 -13.638 11.448 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.457 -13.400 11.952 1.00 0.00 C ATOM 0 H VAL A 55 14.025 -15.924 12.766 1.00 0.00 H new ATOM 0 HA VAL A 55 11.965 -14.440 13.956 1.00 0.00 H new ATOM 0 HB VAL A 55 12.523 -15.095 11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.185 -13.095 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.213 -14.355 11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.757 -12.934 12.237 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.572 -12.857 11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.258 -12.694 12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.374 -13.949 12.168 1.00 0.00 H new ATOM 574 N ALA A 56 11.053 -17.180 12.336 1.00 0.00 N ATOM 575 CA ALA A 56 9.987 -18.159 12.180 1.00 0.00 C ATOM 576 C ALA A 56 9.655 -18.812 13.515 1.00 0.00 C ATOM 577 O ALA A 56 8.494 -19.102 13.803 1.00 0.00 O ATOM 578 CB ALA A 56 10.374 -19.213 11.153 1.00 0.00 C ATOM 0 H ALA A 56 11.921 -17.425 11.859 1.00 0.00 H new ATOM 0 HA ALA A 56 9.098 -17.640 11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.564 -19.936 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.557 -18.734 10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.278 -19.725 11.481 1.00 0.00 H new ATOM 584 N TYR A 57 10.680 -19.032 14.332 1.00 0.00 N ATOM 585 CA TYR A 57 10.496 -19.629 15.650 1.00 0.00 C ATOM 586 C TYR A 57 9.784 -18.670 16.600 1.00 0.00 C ATOM 587 O TYR A 57 9.095 -19.095 17.528 1.00 0.00 O ATOM 588 CB TYR A 57 11.843 -20.045 16.241 1.00 0.00 C ATOM 589 CG TYR A 57 12.066 -21.540 16.220 1.00 0.00 C ATOM 590 CD1 TYR A 57 11.261 -22.390 16.967 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.068 -22.103 15.440 1.00 0.00 C ATOM 592 CE1 TYR A 57 11.453 -23.759 16.943 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.263 -23.471 15.407 1.00 0.00 C ATOM 594 CZ TYR A 57 12.452 -24.293 16.160 1.00 0.00 C ATOM 595 OH TYR A 57 12.638 -25.658 16.123 1.00 0.00 O ATOM 0 H TYR A 57 11.648 -18.805 14.104 1.00 0.00 H new ATOM 0 HA TYR A 57 9.871 -20.514 15.528 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.643 -19.557 15.684 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.907 -19.689 17.269 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.472 -21.975 17.577 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.705 -21.461 14.850 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.823 -24.406 17.535 1.00 0.00 H new ATOM 0 HE2 TYR A 57 14.046 -23.893 14.795 1.00 0.00 H new ATOM 0 HH TYR A 57 13.382 -25.871 15.522 1.00 0.00 H new ATOM 605 N ALA A 58 9.954 -17.378 16.365 1.00 0.00 N ATOM 606 CA ALA A 58 9.338 -16.367 17.209 1.00 0.00 C ATOM 607 C ALA A 58 7.867 -16.159 16.857 1.00 0.00 C ATOM 608 O ALA A 58 6.997 -16.256 17.723 1.00 0.00 O ATOM 609 CB ALA A 58 10.099 -15.056 17.103 1.00 0.00 C ATOM 0 H ALA A 58 10.513 -17.005 15.597 1.00 0.00 H new ATOM 0 HA ALA A 58 9.384 -16.722 18.239 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.626 -14.308 17.740 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.130 -15.207 17.424 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.087 -14.711 16.069 1.00 0.00 H new ATOM 615 N LEU A 59 7.593 -15.874 15.591 1.00 0.00 N ATOM 616 CA LEU A 59 6.236 -15.532 15.165 1.00 0.00 C ATOM 617 C LEU A 59 5.375 -16.777 14.959 1.00 0.00 C ATOM 618 O LEU A 59 4.159 -16.740 15.149 1.00 0.00 O ATOM 619 CB LEU A 59 6.272 -14.714 13.869 1.00 0.00 C ATOM 620 CG LEU A 59 7.342 -13.624 13.809 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.457 -13.070 12.400 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.030 -12.509 14.794 1.00 0.00 C ATOM 0 H LEU A 59 8.286 -15.872 14.842 1.00 0.00 H new ATOM 0 HA LEU A 59 5.788 -14.937 15.961 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.426 -15.396 13.033 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.296 -14.250 13.726 1.00 0.00 H new ATOM 0 HG LEU A 59 8.298 -14.068 14.086 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.223 -12.295 12.375 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.730 -13.872 11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.500 -12.644 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.804 -11.744 14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.064 -12.067 14.550 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.998 -12.915 15.805 1.00 0.00 H new ATOM 634 N GLY A 60 6.006 -17.878 14.583 1.00 0.00 N ATOM 635 CA GLY A 60 5.263 -19.079 14.263 1.00 0.00 C ATOM 636 C GLY A 60 5.114 -19.247 12.768 1.00 0.00 C ATOM 637 O GLY A 60 4.183 -19.899 12.292 1.00 0.00 O ATOM 0 H GLY A 60 7.019 -17.962 14.494 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.773 -19.947 14.680 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.278 -19.035 14.727 1.00 0.00 H new ATOM 641 N THR A 61 6.035 -18.637 12.031 1.00 0.00 N ATOM 642 CA THR A 61 6.050 -18.711 10.581 1.00 0.00 C ATOM 643 C THR A 61 6.245 -20.147 10.100 1.00 0.00 C ATOM 644 O THR A 61 7.131 -20.857 10.582 1.00 0.00 O ATOM 645 CB THR A 61 7.179 -17.830 10.018 1.00 0.00 C ATOM 646 OG1 THR A 61 7.271 -16.624 10.786 1.00 0.00 O ATOM 647 CG2 THR A 61 6.942 -17.492 8.554 1.00 0.00 C ATOM 0 H THR A 61 6.791 -18.078 12.425 1.00 0.00 H new ATOM 0 HA THR A 61 5.086 -18.352 10.221 1.00 0.00 H new ATOM 0 HB THR A 61 8.114 -18.387 10.087 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.671 -15.948 10.407 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.758 -16.869 8.188 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.898 -18.412 7.971 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.000 -16.953 8.453 1.00 0.00 H new ATOM 655 N PRO A 62 5.405 -20.599 9.158 1.00 0.00 N ATOM 656 CA PRO A 62 5.539 -21.922 8.552 1.00 0.00 C ATOM 657 C PRO A 62 6.748 -21.993 7.627 1.00 0.00 C ATOM 658 O PRO A 62 7.316 -20.960 7.260 1.00 0.00 O ATOM 659 CB PRO A 62 4.243 -22.101 7.746 1.00 0.00 C ATOM 660 CG PRO A 62 3.352 -20.969 8.148 1.00 0.00 C ATOM 661 CD PRO A 62 4.256 -19.866 8.615 1.00 0.00 C ATOM 0 HA PRO A 62 5.687 -22.699 9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.443 -22.080 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.777 -23.062 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.739 -20.640 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.669 -21.274 8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.546 -19.207 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.778 -19.244 9.372 1.00 0.00 H new ATOM 669 N LEU A 63 7.142 -23.209 7.261 1.00 0.00 N ATOM 670 CA LEU A 63 8.258 -23.405 6.339 1.00 0.00 C ATOM 671 C LEU A 63 7.983 -22.669 5.032 1.00 0.00 C ATOM 672 O LEU A 63 7.018 -22.972 4.325 1.00 0.00 O ATOM 673 CB LEU A 63 8.491 -24.896 6.073 1.00 0.00 C ATOM 674 CG LEU A 63 7.254 -25.786 6.199 1.00 0.00 C ATOM 675 CD1 LEU A 63 7.017 -26.559 4.910 1.00 0.00 C ATOM 676 CD2 LEU A 63 7.407 -26.740 7.373 1.00 0.00 C ATOM 0 H LEU A 63 6.707 -24.072 7.587 1.00 0.00 H new ATOM 0 HA LEU A 63 9.161 -22.999 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.898 -25.009 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.250 -25.257 6.767 1.00 0.00 H new ATOM 0 HG LEU A 63 6.388 -25.150 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.133 -27.187 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.866 -25.859 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.883 -27.186 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.519 -27.367 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.283 -27.369 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.529 -26.168 8.293 1.00 0.00 H new ATOM 688 N MET A 64 8.819 -21.693 4.727 1.00 0.00 N ATOM 689 CA MET A 64 8.570 -20.808 3.602 1.00 0.00 C ATOM 690 C MET A 64 9.497 -21.114 2.438 1.00 0.00 C ATOM 691 O MET A 64 10.722 -21.041 2.564 1.00 0.00 O ATOM 692 CB MET A 64 8.735 -19.352 4.034 1.00 0.00 C ATOM 693 CG MET A 64 7.448 -18.723 4.537 1.00 0.00 C ATOM 694 SD MET A 64 6.899 -17.353 3.504 1.00 0.00 S ATOM 695 CE MET A 64 5.122 -17.559 3.582 1.00 0.00 C ATOM 0 H MET A 64 9.676 -21.493 5.242 1.00 0.00 H new ATOM 0 HA MET A 64 7.546 -20.972 3.267 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.489 -19.297 4.819 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.110 -18.771 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.667 -19.482 4.573 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.595 -18.368 5.557 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.639 -16.782 2.989 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.852 -18.538 3.187 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.792 -17.482 4.618 1.00 0.00 H new ATOM 705 N SER A 65 8.906 -21.467 1.309 1.00 0.00 N ATOM 706 CA SER A 65 9.662 -21.709 0.094 1.00 0.00 C ATOM 707 C SER A 65 9.239 -20.724 -0.991 1.00 0.00 C ATOM 708 O SER A 65 8.163 -20.856 -1.576 1.00 0.00 O ATOM 709 CB SER A 65 9.457 -23.153 -0.377 1.00 0.00 C ATOM 710 OG SER A 65 9.276 -24.030 0.728 1.00 0.00 O ATOM 0 H SER A 65 7.899 -21.593 1.210 1.00 0.00 H new ATOM 0 HA SER A 65 10.722 -21.562 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.588 -23.205 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.318 -23.474 -0.963 1.00 0.00 H new ATOM 0 HG SER A 65 9.145 -24.945 0.402 1.00 0.00 H new ATOM 716 N ASP A 66 10.072 -19.724 -1.238 1.00 0.00 N ATOM 717 CA ASP A 66 9.787 -18.733 -2.255 1.00 0.00 C ATOM 718 C ASP A 66 10.609 -19.045 -3.498 1.00 0.00 C ATOM 719 O ASP A 66 11.792 -19.376 -3.405 1.00 0.00 O ATOM 720 CB ASP A 66 10.079 -17.321 -1.721 1.00 0.00 C ATOM 721 CG ASP A 66 11.266 -16.657 -2.390 1.00 0.00 C ATOM 722 OD1 ASP A 66 12.411 -16.881 -1.945 1.00 0.00 O ATOM 723 OD2 ASP A 66 11.060 -15.906 -3.365 1.00 0.00 O ATOM 0 H ASP A 66 10.953 -19.581 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 66 8.730 -18.766 -2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.196 -16.698 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.261 -17.377 -0.648 1.00 0.00 H new ATOM 728 N PRO A 67 9.984 -18.987 -4.675 1.00 0.00 N ATOM 729 CA PRO A 67 10.629 -19.379 -5.924 1.00 0.00 C ATOM 730 C PRO A 67 11.466 -18.268 -6.550 1.00 0.00 C ATOM 731 O PRO A 67 12.157 -18.488 -7.548 1.00 0.00 O ATOM 732 CB PRO A 67 9.435 -19.706 -6.815 1.00 0.00 C ATOM 733 CG PRO A 67 8.370 -18.766 -6.364 1.00 0.00 C ATOM 734 CD PRO A 67 8.589 -18.555 -4.887 1.00 0.00 C ATOM 0 HA PRO A 67 11.335 -20.197 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 67 9.673 -19.561 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.124 -20.744 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.431 -17.822 -6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.380 -19.180 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.446 -17.512 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.892 -19.144 -4.291 1.00 0.00 H new ATOM 742 N PHE A 68 11.415 -17.078 -5.967 1.00 0.00 N ATOM 743 CA PHE A 68 12.025 -15.916 -6.603 1.00 0.00 C ATOM 744 C PHE A 68 13.331 -15.506 -5.933 1.00 0.00 C ATOM 745 O PHE A 68 14.198 -14.906 -6.568 1.00 0.00 O ATOM 746 CB PHE A 68 11.048 -14.741 -6.611 1.00 0.00 C ATOM 747 CG PHE A 68 10.512 -14.435 -7.978 1.00 0.00 C ATOM 748 CD1 PHE A 68 9.507 -15.210 -8.531 1.00 0.00 C ATOM 749 CD2 PHE A 68 11.018 -13.376 -8.713 1.00 0.00 C ATOM 750 CE1 PHE A 68 9.017 -14.935 -9.791 1.00 0.00 C ATOM 751 CE2 PHE A 68 10.532 -13.096 -9.973 1.00 0.00 C ATOM 752 CZ PHE A 68 9.531 -13.878 -10.514 1.00 0.00 C ATOM 0 H PHE A 68 10.966 -16.892 -5.070 1.00 0.00 H new ATOM 0 HA PHE A 68 12.261 -16.200 -7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.217 -14.962 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.548 -13.857 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.102 -16.039 -7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.802 -12.762 -8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.232 -15.546 -10.211 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.934 -12.266 -10.536 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.151 -13.663 -11.502 1.00 0.00 H new ATOM 762 N GLY A 69 13.467 -15.828 -4.660 1.00 0.00 N ATOM 763 CA GLY A 69 14.647 -15.435 -3.922 1.00 0.00 C ATOM 764 C GLY A 69 14.391 -14.148 -3.183 1.00 0.00 C ATOM 765 O GLY A 69 15.288 -13.328 -2.997 1.00 0.00 O ATOM 0 H GLY A 69 12.780 -16.356 -4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.922 -16.219 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.488 -15.310 -4.605 1.00 0.00 H new ATOM 769 N THR A 70 13.144 -13.980 -2.772 1.00 0.00 N ATOM 770 CA THR A 70 12.699 -12.763 -2.127 1.00 0.00 C ATOM 771 C THR A 70 13.234 -12.665 -0.703 1.00 0.00 C ATOM 772 O THR A 70 12.887 -13.471 0.160 1.00 0.00 O ATOM 773 CB THR A 70 11.161 -12.690 -2.103 1.00 0.00 C ATOM 774 OG1 THR A 70 10.627 -13.288 -3.294 1.00 0.00 O ATOM 775 CG2 THR A 70 10.688 -11.248 -1.996 1.00 0.00 C ATOM 0 H THR A 70 12.415 -14.685 -2.878 1.00 0.00 H new ATOM 0 HA THR A 70 13.090 -11.926 -2.706 1.00 0.00 H new ATOM 0 HB THR A 70 10.805 -13.236 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.499 -14.249 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.598 -11.223 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.074 -10.806 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.052 -10.681 -2.853 1.00 0.00 H new ATOM 783 N ASN A 71 14.081 -11.677 -0.459 1.00 0.00 N ATOM 784 CA ASN A 71 14.672 -11.486 0.862 1.00 0.00 C ATOM 785 C ASN A 71 13.827 -10.523 1.691 1.00 0.00 C ATOM 786 O ASN A 71 14.345 -9.607 2.332 1.00 0.00 O ATOM 787 CB ASN A 71 16.105 -10.959 0.748 1.00 0.00 C ATOM 788 CG ASN A 71 17.114 -12.024 0.339 1.00 0.00 C ATOM 789 OD1 ASN A 71 16.634 -13.203 -0.031 1.00 0.00 O flip ATOM 790 ND2 ASN A 71 18.323 -11.785 0.347 1.00 0.00 N flip ATOM 0 H ASN A 71 14.376 -10.994 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 71 14.698 -12.454 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.129 -10.149 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.405 -10.535 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.659 -10.867 0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.987 -12.505 0.063 1.00 0.00 H new ATOM 797 N THR A 72 12.518 -10.734 1.671 1.00 0.00 N ATOM 798 CA THR A 72 11.592 -9.886 2.405 1.00 0.00 C ATOM 799 C THR A 72 10.383 -10.691 2.875 1.00 0.00 C ATOM 800 O THR A 72 9.852 -11.510 2.128 1.00 0.00 O ATOM 801 CB THR A 72 11.109 -8.707 1.538 1.00 0.00 C ATOM 802 OG1 THR A 72 11.648 -8.824 0.213 1.00 0.00 O ATOM 803 CG2 THR A 72 11.525 -7.376 2.141 1.00 0.00 C ATOM 0 H THR A 72 12.073 -11.490 1.151 1.00 0.00 H new ATOM 0 HA THR A 72 12.126 -9.493 3.270 1.00 0.00 H new ATOM 0 HB THR A 72 10.020 -8.740 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.337 -8.073 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.170 -6.563 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.092 -7.276 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.612 -7.333 2.212 1.00 0.00 H new ATOM 811 N TRP A 73 9.968 -10.464 4.114 1.00 0.00 N ATOM 812 CA TRP A 73 8.803 -11.137 4.669 1.00 0.00 C ATOM 813 C TRP A 73 7.671 -10.139 4.870 1.00 0.00 C ATOM 814 O TRP A 73 7.845 -9.121 5.536 1.00 0.00 O ATOM 815 CB TRP A 73 9.153 -11.809 5.998 1.00 0.00 C ATOM 816 CG TRP A 73 9.158 -13.305 5.916 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.381 -14.080 5.108 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.978 -14.204 6.670 1.00 0.00 C ATOM 819 NE1 TRP A 73 8.668 -15.407 5.310 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.645 -15.512 6.265 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.965 -14.033 7.646 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.262 -16.637 6.805 1.00 0.00 C ATOM 823 CZ3 TRP A 73 11.575 -15.152 8.180 1.00 0.00 C ATOM 824 CH2 TRP A 73 11.223 -16.439 7.758 1.00 0.00 C ATOM 0 H TRP A 73 10.424 -9.816 4.756 1.00 0.00 H new ATOM 0 HA TRP A 73 8.479 -11.906 3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 73 10.135 -11.466 6.325 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.437 -11.495 6.757 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.647 -13.705 4.411 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.225 -16.189 4.827 1.00 0.00 H new ATOM 0 HE3 TRP A 73 11.245 -13.044 7.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 9.991 -17.632 6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 12.337 -15.031 8.936 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.720 -17.293 8.194 1.00 0.00 H new ATOM 835 N PHE A 74 6.520 -10.424 4.285 1.00 0.00 N ATOM 836 CA PHE A 74 5.387 -9.517 4.366 1.00 0.00 C ATOM 837 C PHE A 74 4.335 -10.057 5.331 1.00 0.00 C ATOM 838 O PHE A 74 3.993 -11.242 5.302 1.00 0.00 O ATOM 839 CB PHE A 74 4.806 -9.273 2.958 1.00 0.00 C ATOM 840 CG PHE A 74 3.348 -9.623 2.790 1.00 0.00 C ATOM 841 CD1 PHE A 74 2.358 -8.691 3.067 1.00 0.00 C ATOM 842 CD2 PHE A 74 2.970 -10.882 2.347 1.00 0.00 C ATOM 843 CE1 PHE A 74 1.023 -9.010 2.908 1.00 0.00 C ATOM 844 CE2 PHE A 74 1.636 -11.204 2.188 1.00 0.00 C ATOM 845 CZ PHE A 74 0.663 -10.267 2.468 1.00 0.00 C ATOM 0 H PHE A 74 6.345 -11.274 3.750 1.00 0.00 H new ATOM 0 HA PHE A 74 5.722 -8.557 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.941 -8.221 2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.386 -9.851 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.634 -7.705 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.727 -11.619 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.262 -8.276 3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.355 -12.189 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.380 -10.517 2.343 1.00 0.00 H new ATOM 855 N TYR A 75 3.856 -9.187 6.206 1.00 0.00 N ATOM 856 CA TYR A 75 2.821 -9.542 7.162 1.00 0.00 C ATOM 857 C TYR A 75 1.745 -8.464 7.189 1.00 0.00 C ATOM 858 O TYR A 75 2.029 -7.288 6.951 1.00 0.00 O ATOM 859 CB TYR A 75 3.423 -9.718 8.558 1.00 0.00 C ATOM 860 CG TYR A 75 3.970 -11.104 8.813 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.149 -12.120 9.291 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.305 -11.400 8.570 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.645 -13.389 9.519 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.807 -12.667 8.797 1.00 0.00 C ATOM 865 CZ TYR A 75 4.975 -13.656 9.271 1.00 0.00 C ATOM 866 OH TYR A 75 5.477 -14.916 9.491 1.00 0.00 O ATOM 0 H TYR A 75 4.172 -8.220 6.273 1.00 0.00 H new ATOM 0 HA TYR A 75 2.371 -10.486 6.855 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.223 -8.990 8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.660 -9.495 9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.107 -11.913 9.487 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.961 -10.627 8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.995 -14.168 9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.848 -12.881 8.603 1.00 0.00 H new ATOM 0 HH TYR A 75 4.737 -15.551 9.588 1.00 0.00 H new ATOM 876 N VAL A 76 0.514 -8.863 7.476 1.00 0.00 N ATOM 877 CA VAL A 76 -0.607 -7.931 7.486 1.00 0.00 C ATOM 878 C VAL A 76 -1.396 -8.027 8.784 1.00 0.00 C ATOM 879 O VAL A 76 -1.698 -9.123 9.264 1.00 0.00 O ATOM 880 CB VAL A 76 -1.570 -8.168 6.302 1.00 0.00 C ATOM 881 CG1 VAL A 76 -1.251 -7.224 5.153 1.00 0.00 C ATOM 882 CG2 VAL A 76 -1.523 -9.618 5.841 1.00 0.00 C ATOM 0 H VAL A 76 0.265 -9.825 7.705 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.173 -6.935 7.394 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.584 -7.959 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.941 -7.407 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.354 -6.193 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.229 -7.394 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.210 -9.757 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.511 -9.866 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.814 -10.271 6.664 1.00 0.00 H new ATOM 892 N PHE A 77 -1.703 -6.869 9.352 1.00 0.00 N ATOM 893 CA PHE A 77 -2.537 -6.775 10.540 1.00 0.00 C ATOM 894 C PHE A 77 -3.041 -5.348 10.696 1.00 0.00 C ATOM 895 O PHE A 77 -2.370 -4.407 10.276 1.00 0.00 O ATOM 896 CB PHE A 77 -1.766 -7.207 11.795 1.00 0.00 C ATOM 897 CG PHE A 77 -0.587 -6.334 12.143 1.00 0.00 C ATOM 898 CD1 PHE A 77 0.664 -6.596 11.611 1.00 0.00 C ATOM 899 CD2 PHE A 77 -0.728 -5.263 13.013 1.00 0.00 C ATOM 900 CE1 PHE A 77 1.750 -5.807 11.932 1.00 0.00 C ATOM 901 CE2 PHE A 77 0.355 -4.468 13.337 1.00 0.00 C ATOM 902 CZ PHE A 77 1.597 -4.743 12.798 1.00 0.00 C ATOM 0 H PHE A 77 -1.380 -5.968 9.001 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.385 -7.449 10.422 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.454 -7.219 12.641 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.415 -8.229 11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.792 -7.429 10.936 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.695 -5.048 13.442 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.719 -6.022 11.506 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.231 -3.633 14.011 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.446 -4.127 13.054 1.00 0.00 H new ATOM 912 N ARG A 78 -4.219 -5.185 11.279 1.00 0.00 N ATOM 913 CA ARG A 78 -4.763 -3.856 11.517 1.00 0.00 C ATOM 914 C ARG A 78 -4.079 -3.231 12.726 1.00 0.00 C ATOM 915 O ARG A 78 -4.370 -3.589 13.867 1.00 0.00 O ATOM 916 CB ARG A 78 -6.278 -3.921 11.734 1.00 0.00 C ATOM 917 CG ARG A 78 -7.038 -2.811 11.025 1.00 0.00 C ATOM 918 CD ARG A 78 -8.535 -3.076 11.002 1.00 0.00 C ATOM 919 NE ARG A 78 -8.864 -4.300 10.277 1.00 0.00 N ATOM 920 CZ ARG A 78 -9.664 -4.347 9.214 1.00 0.00 C ATOM 921 NH1 ARG A 78 -10.229 -3.239 8.748 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.894 -5.510 8.620 1.00 0.00 N ATOM 0 H ARG A 78 -4.814 -5.951 11.595 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.574 -3.237 10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.647 -4.885 11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.487 -3.869 12.803 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.845 -1.862 11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.670 -2.714 10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.906 -3.150 12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.045 -2.232 10.538 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.455 -5.175 10.606 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.051 -2.345 9.205 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.841 -3.282 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.459 -6.360 8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.506 -5.554 7.805 1.00 0.00 H new ATOM 936 N GLN A 79 -3.170 -2.298 12.467 1.00 0.00 N ATOM 937 CA GLN A 79 -2.365 -1.697 13.525 1.00 0.00 C ATOM 938 C GLN A 79 -3.213 -0.838 14.454 1.00 0.00 C ATOM 939 O GLN A 79 -3.070 -0.905 15.672 1.00 0.00 O ATOM 940 CB GLN A 79 -1.226 -0.860 12.936 1.00 0.00 C ATOM 941 CG GLN A 79 -1.599 -0.100 11.672 1.00 0.00 C ATOM 942 CD GLN A 79 -0.700 1.099 11.414 1.00 0.00 C ATOM 943 OE1 GLN A 79 -0.938 1.877 10.492 1.00 0.00 O ATOM 944 NE2 GLN A 79 0.341 1.258 12.219 1.00 0.00 N ATOM 0 H GLN A 79 -2.972 -1.941 11.532 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.939 -2.513 14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.887 -0.148 13.688 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.384 -1.516 12.717 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.547 -0.777 10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.633 0.237 11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.508 0.593 12.974 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.975 2.045 12.083 1.00 0.00 H new ATOM 953 N GLN A 80 -4.087 -0.021 13.882 1.00 0.00 N ATOM 954 CA GLN A 80 -4.947 0.844 14.684 1.00 0.00 C ATOM 955 C GLN A 80 -6.403 0.694 14.252 1.00 0.00 C ATOM 956 O GLN A 80 -6.931 1.522 13.510 1.00 0.00 O ATOM 957 CB GLN A 80 -4.511 2.315 14.580 1.00 0.00 C ATOM 958 CG GLN A 80 -3.193 2.527 13.847 1.00 0.00 C ATOM 959 CD GLN A 80 -2.029 2.813 14.780 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.548 1.784 15.461 1.00 0.00 O flip ATOM 961 NE2 GLN A 80 -1.565 3.950 14.884 1.00 0.00 N flip ATOM 0 H GLN A 80 -4.220 0.062 12.874 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.853 0.537 15.725 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.292 2.878 14.069 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.425 2.728 15.585 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -2.967 1.640 13.256 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.303 3.356 13.148 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.965 4.716 14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.781 4.125 15.513 1.00 0.00 H new ATOM 970 N PRO A 81 -7.069 -0.380 14.704 1.00 0.00 N ATOM 971 CA PRO A 81 -8.472 -0.633 14.382 1.00 0.00 C ATOM 972 C PRO A 81 -9.424 0.118 15.308 1.00 0.00 C ATOM 973 O PRO A 81 -10.645 0.072 15.137 1.00 0.00 O ATOM 974 CB PRO A 81 -8.598 -2.139 14.595 1.00 0.00 C ATOM 975 CG PRO A 81 -7.618 -2.455 15.675 1.00 0.00 C ATOM 976 CD PRO A 81 -6.502 -1.443 15.561 1.00 0.00 C ATOM 0 HA PRO A 81 -8.735 -0.299 13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.611 -2.414 14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.370 -2.688 13.681 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.092 -2.400 16.655 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.233 -3.469 15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.213 -1.056 16.538 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.609 -1.882 15.115 1.00 0.00 H new ATOM 984 N GLY A 82 -8.856 0.813 16.282 1.00 0.00 N ATOM 985 CA GLY A 82 -9.656 1.517 17.259 1.00 0.00 C ATOM 986 C GLY A 82 -10.010 2.923 16.822 1.00 0.00 C ATOM 987 O GLY A 82 -9.130 3.700 16.448 1.00 0.00 O ATOM 0 H GLY A 82 -7.848 0.901 16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.573 0.957 17.443 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.113 1.560 18.203 1.00 0.00 H new ATOM 991 N HIS A 83 -11.306 3.227 16.856 1.00 0.00 N ATOM 992 CA HIS A 83 -11.839 4.561 16.551 1.00 0.00 C ATOM 993 C HIS A 83 -11.745 4.900 15.062 1.00 0.00 C ATOM 994 O HIS A 83 -12.769 5.054 14.393 1.00 0.00 O ATOM 995 CB HIS A 83 -11.148 5.641 17.390 1.00 0.00 C ATOM 996 CG HIS A 83 -12.112 6.590 18.028 1.00 0.00 C ATOM 997 ND1 HIS A 83 -12.415 7.823 17.496 1.00 0.00 N ATOM 998 CD2 HIS A 83 -12.854 6.477 19.155 1.00 0.00 C ATOM 999 CE1 HIS A 83 -13.299 8.427 18.264 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -13.582 7.633 19.275 1.00 0.00 N ATOM 0 H HIS A 83 -12.028 2.548 17.099 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.896 4.539 16.814 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -10.549 5.163 18.166 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -10.460 6.201 16.756 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.870 5.635 19.832 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.720 9.407 18.093 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.238 7.844 20.027 1.00 0.00 H new ATOM 1009 N GLU A 84 -10.528 5.027 14.548 1.00 0.00 N ATOM 1010 CA GLU A 84 -10.328 5.346 13.139 1.00 0.00 C ATOM 1011 C GLU A 84 -10.783 4.182 12.268 1.00 0.00 C ATOM 1012 O GLU A 84 -11.626 4.346 11.386 1.00 0.00 O ATOM 1013 CB GLU A 84 -8.861 5.677 12.859 1.00 0.00 C ATOM 1014 CG GLU A 84 -8.662 7.029 12.192 1.00 0.00 C ATOM 1015 CD GLU A 84 -9.287 8.164 12.978 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -9.214 8.142 14.224 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -9.862 9.085 12.358 1.00 0.00 O ATOM 0 H GLU A 84 -9.667 4.915 15.083 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.927 6.224 12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.307 5.658 13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.436 4.901 12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.595 7.218 12.074 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.094 7.004 11.192 1.00 0.00 H new ATOM 1024 N GLY A 85 -10.206 3.010 12.512 1.00 0.00 N ATOM 1025 CA GLY A 85 -10.645 1.798 11.843 1.00 0.00 C ATOM 1026 C GLY A 85 -10.015 1.593 10.478 1.00 0.00 C ATOM 1027 O GLY A 85 -9.703 0.464 10.102 1.00 0.00 O ATOM 0 H GLY A 85 -9.435 2.877 13.167 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.411 0.940 12.474 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.729 1.827 11.733 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.808 2.674 9.744 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.264 2.577 8.400 1.00 0.00 C ATOM 1033 C VAL A 86 -7.844 3.106 8.381 1.00 0.00 C ATOM 1034 O VAL A 86 -7.602 4.285 8.115 1.00 0.00 O ATOM 1035 CB VAL A 86 -10.105 3.348 7.359 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -10.460 2.444 6.193 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -11.364 3.931 7.985 1.00 0.00 C ATOM 0 H VAL A 86 -10.007 3.625 10.055 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.285 1.522 8.125 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.503 4.178 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -11.053 3.001 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.546 2.088 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.036 1.593 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -11.933 4.467 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.974 3.125 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.088 4.619 8.784 1.00 0.00 H new ATOM 1047 N THR A 87 -6.915 2.215 8.662 1.00 0.00 N ATOM 1048 CA THR A 87 -5.515 2.559 8.781 1.00 0.00 C ATOM 1049 C THR A 87 -4.686 1.280 8.681 1.00 0.00 C ATOM 1050 O THR A 87 -4.798 0.388 9.528 1.00 0.00 O ATOM 1051 CB THR A 87 -5.252 3.285 10.123 1.00 0.00 C ATOM 1052 OG1 THR A 87 -5.737 4.632 10.055 1.00 0.00 O ATOM 1053 CG2 THR A 87 -3.775 3.306 10.475 1.00 0.00 C ATOM 0 H THR A 87 -7.113 1.226 8.815 1.00 0.00 H new ATOM 0 HA THR A 87 -5.230 3.237 7.977 1.00 0.00 H new ATOM 0 HB THR A 87 -5.781 2.733 10.900 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.348 4.722 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.634 3.825 11.423 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.407 2.284 10.562 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.222 3.825 9.692 1.00 0.00 H new ATOM 1061 N GLN A 88 -3.881 1.179 7.635 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.211 -0.070 7.320 1.00 0.00 C ATOM 1063 C GLN A 88 -1.755 0.152 6.950 1.00 0.00 C ATOM 1064 O GLN A 88 -1.446 0.914 6.037 1.00 0.00 O ATOM 1065 CB GLN A 88 -3.924 -0.763 6.163 1.00 0.00 C ATOM 1066 CG GLN A 88 -3.622 -2.247 6.063 1.00 0.00 C ATOM 1067 CD GLN A 88 -3.563 -2.918 7.421 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -4.586 -3.089 8.088 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -2.367 -3.300 7.842 1.00 0.00 N ATOM 0 H GLN A 88 -3.677 1.945 6.993 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.245 -0.697 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.999 -0.627 6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.638 -0.279 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.387 -2.730 5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.671 -2.388 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.546 -3.140 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.267 -3.755 8.750 1.00 0.00 H new ATOM 1078 N GLN A 89 -0.868 -0.528 7.653 1.00 0.00 N ATOM 1079 CA GLN A 89 0.545 -0.472 7.340 1.00 0.00 C ATOM 1080 C GLN A 89 0.986 -1.786 6.707 1.00 0.00 C ATOM 1081 O GLN A 89 0.291 -2.801 6.814 1.00 0.00 O ATOM 1082 CB GLN A 89 1.359 -0.174 8.601 1.00 0.00 C ATOM 1083 CG GLN A 89 2.056 -1.383 9.213 1.00 0.00 C ATOM 1084 CD GLN A 89 1.440 -1.794 10.533 1.00 0.00 C ATOM 1085 OE1 GLN A 89 0.454 -2.526 10.566 1.00 0.00 O ATOM 1086 NE2 GLN A 89 2.009 -1.315 11.629 1.00 0.00 N ATOM 0 H GLN A 89 -1.103 -1.126 8.445 1.00 0.00 H new ATOM 0 HA GLN A 89 0.721 0.334 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.111 0.578 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.697 0.263 9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.007 -2.219 8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.111 -1.154 9.363 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.827 -0.710 11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.629 -1.551 12.546 1.00 0.00 H new ATOM 1095 N THR A 90 2.121 -1.761 6.035 1.00 0.00 N ATOM 1096 CA THR A 90 2.696 -2.964 5.467 1.00 0.00 C ATOM 1097 C THR A 90 3.908 -3.401 6.277 1.00 0.00 C ATOM 1098 O THR A 90 4.954 -2.755 6.236 1.00 0.00 O ATOM 1099 CB THR A 90 3.114 -2.736 4.006 1.00 0.00 C ATOM 1100 OG1 THR A 90 2.394 -1.619 3.468 1.00 0.00 O ATOM 1101 CG2 THR A 90 2.850 -3.975 3.161 1.00 0.00 C ATOM 0 H THR A 90 2.666 -0.915 5.869 1.00 0.00 H new ATOM 0 HA THR A 90 1.937 -3.745 5.497 1.00 0.00 H new ATOM 0 HB THR A 90 4.184 -2.529 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.663 -1.474 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.155 -3.785 2.132 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.419 -4.815 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.787 -4.213 3.186 1.00 0.00 H new ATOM 1109 N LEU A 91 3.770 -4.496 7.008 1.00 0.00 N ATOM 1110 CA LEU A 91 4.862 -4.995 7.822 1.00 0.00 C ATOM 1111 C LEU A 91 5.791 -5.828 6.955 1.00 0.00 C ATOM 1112 O LEU A 91 5.467 -6.954 6.578 1.00 0.00 O ATOM 1113 CB LEU A 91 4.328 -5.833 8.990 1.00 0.00 C ATOM 1114 CG LEU A 91 5.002 -5.587 10.343 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.380 -6.230 10.382 1.00 0.00 C ATOM 1116 CD2 LEU A 91 5.098 -4.095 10.632 1.00 0.00 C ATOM 0 H LEU A 91 2.916 -5.052 7.053 1.00 0.00 H new ATOM 0 HA LEU A 91 5.412 -4.151 8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.261 -5.639 9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.436 -6.888 8.737 1.00 0.00 H new ATOM 0 HG LEU A 91 4.389 -6.047 11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.841 -6.043 11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.285 -7.305 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.003 -5.804 9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.580 -3.942 11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.686 -3.610 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.097 -3.663 10.653 1.00 0.00 H new ATOM 1128 N THR A 92 6.937 -5.259 6.624 1.00 0.00 N ATOM 1129 CA THR A 92 7.864 -5.903 5.715 1.00 0.00 C ATOM 1130 C THR A 92 9.230 -6.102 6.359 1.00 0.00 C ATOM 1131 O THR A 92 9.973 -5.149 6.588 1.00 0.00 O ATOM 1132 CB THR A 92 8.010 -5.089 4.416 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.847 -4.266 4.231 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.178 -6.010 3.218 1.00 0.00 C ATOM 0 H THR A 92 7.246 -4.352 6.972 1.00 0.00 H new ATOM 0 HA THR A 92 7.454 -6.884 5.475 1.00 0.00 H new ATOM 0 HB THR A 92 8.897 -4.461 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.941 -3.747 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.279 -5.413 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.070 -6.621 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.305 -6.657 3.131 1.00 0.00 H new ATOM 1142 N LEU A 93 9.543 -7.347 6.667 1.00 0.00 N ATOM 1143 CA LEU A 93 10.841 -7.700 7.205 1.00 0.00 C ATOM 1144 C LEU A 93 11.841 -7.806 6.069 1.00 0.00 C ATOM 1145 O LEU A 93 11.645 -8.586 5.143 1.00 0.00 O ATOM 1146 CB LEU A 93 10.761 -9.031 7.952 1.00 0.00 C ATOM 1147 CG LEU A 93 9.940 -9.001 9.242 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.514 -9.459 8.986 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.590 -9.868 10.303 1.00 0.00 C ATOM 0 H LEU A 93 8.908 -8.137 6.552 1.00 0.00 H new ATOM 0 HA LEU A 93 11.161 -6.928 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.334 -9.780 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.773 -9.358 8.191 1.00 0.00 H new ATOM 0 HG LEU A 93 9.909 -7.973 9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.949 -9.429 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.045 -8.799 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.523 -10.478 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.994 -9.836 11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.651 -10.896 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.593 -9.496 10.512 1.00 0.00 H new ATOM 1161 N THR A 94 12.901 -7.026 6.130 1.00 0.00 N ATOM 1162 CA THR A 94 13.886 -7.018 5.069 1.00 0.00 C ATOM 1163 C THR A 94 15.173 -7.623 5.580 1.00 0.00 C ATOM 1164 O THR A 94 15.695 -7.190 6.605 1.00 0.00 O ATOM 1165 CB THR A 94 14.141 -5.590 4.556 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.933 -4.821 4.656 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.620 -5.605 3.111 1.00 0.00 C ATOM 0 H THR A 94 13.102 -6.390 6.902 1.00 0.00 H new ATOM 0 HA THR A 94 13.505 -7.608 4.235 1.00 0.00 H new ATOM 0 HB THR A 94 14.920 -5.138 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.097 -3.911 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.792 -4.583 2.774 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.549 -6.171 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.862 -6.072 2.481 1.00 0.00 H new ATOM 1175 N PHE A 95 15.667 -8.637 4.896 1.00 0.00 N ATOM 1176 CA PHE A 95 16.845 -9.337 5.357 1.00 0.00 C ATOM 1177 C PHE A 95 17.810 -9.597 4.219 1.00 0.00 C ATOM 1178 O PHE A 95 17.438 -9.539 3.050 1.00 0.00 O ATOM 1179 CB PHE A 95 16.458 -10.655 6.043 1.00 0.00 C ATOM 1180 CG PHE A 95 15.526 -11.550 5.265 1.00 0.00 C ATOM 1181 CD1 PHE A 95 16.025 -12.507 4.395 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.151 -11.454 5.430 1.00 0.00 C ATOM 1183 CE1 PHE A 95 15.174 -13.348 3.702 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.293 -12.289 4.736 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.806 -13.239 3.872 1.00 0.00 C ATOM 0 H PHE A 95 15.272 -8.991 4.025 1.00 0.00 H new ATOM 0 HA PHE A 95 17.347 -8.700 6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.370 -11.212 6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.992 -10.421 7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.092 -12.597 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.746 -10.718 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 95 15.577 -14.090 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 95 12.225 -12.199 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 95 13.140 -13.895 3.331 1.00 0.00 H new ATOM 1195 N ASN A 96 19.056 -9.849 4.568 1.00 0.00 N ATOM 1196 CA ASN A 96 20.041 -10.270 3.595 1.00 0.00 C ATOM 1197 C ASN A 96 19.925 -11.774 3.413 1.00 0.00 C ATOM 1198 O ASN A 96 19.317 -12.446 4.251 1.00 0.00 O ATOM 1199 CB ASN A 96 21.451 -9.880 4.042 1.00 0.00 C ATOM 1200 CG ASN A 96 22.217 -9.158 2.952 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.370 -9.673 1.843 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.699 -7.960 3.252 1.00 0.00 N ATOM 0 H ASN A 96 19.410 -9.769 5.521 1.00 0.00 H new ATOM 0 HA ASN A 96 19.856 -9.770 2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.388 -9.242 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.998 -10.776 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.218 -7.429 2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 96 22.550 -7.569 4.182 1.00 0.00 H new ATOM 1209 N SER A 97 20.524 -12.305 2.352 1.00 0.00 N ATOM 1210 CA SER A 97 20.348 -13.711 1.983 1.00 0.00 C ATOM 1211 C SER A 97 20.908 -14.675 3.035 1.00 0.00 C ATOM 1212 O SER A 97 20.771 -15.891 2.906 1.00 0.00 O ATOM 1213 CB SER A 97 20.995 -13.970 0.628 1.00 0.00 C ATOM 1214 OG SER A 97 20.830 -12.848 -0.229 1.00 0.00 O ATOM 0 H SER A 97 21.139 -11.783 1.728 1.00 0.00 H new ATOM 0 HA SER A 97 19.276 -13.901 1.925 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.056 -14.180 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.550 -14.853 0.169 1.00 0.00 H new ATOM 0 HG SER A 97 21.253 -13.032 -1.094 1.00 0.00 H new ATOM 1220 N SER A 98 21.536 -14.134 4.067 1.00 0.00 N ATOM 1221 CA SER A 98 21.976 -14.929 5.201 1.00 0.00 C ATOM 1222 C SER A 98 20.792 -15.213 6.127 1.00 0.00 C ATOM 1223 O SER A 98 20.896 -15.985 7.080 1.00 0.00 O ATOM 1224 CB SER A 98 23.067 -14.168 5.952 1.00 0.00 C ATOM 1225 OG SER A 98 23.193 -12.849 5.437 1.00 0.00 O ATOM 0 H SER A 98 21.753 -13.140 4.142 1.00 0.00 H new ATOM 0 HA SER A 98 22.377 -15.880 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.827 -14.129 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.017 -14.694 5.859 1.00 0.00 H new ATOM 0 HG SER A 98 23.894 -12.372 5.928 1.00 0.00 H new ATOM 1231 N GLY A 99 19.664 -14.579 5.826 1.00 0.00 N ATOM 1232 CA GLY A 99 18.484 -14.712 6.649 1.00 0.00 C ATOM 1233 C GLY A 99 18.485 -13.710 7.781 1.00 0.00 C ATOM 1234 O GLY A 99 17.727 -13.840 8.732 1.00 0.00 O ATOM 0 H GLY A 99 19.549 -13.969 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.594 -14.570 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.434 -15.722 7.055 1.00 0.00 H new ATOM 1238 N VAL A 100 19.327 -12.696 7.660 1.00 0.00 N ATOM 1239 CA VAL A 100 19.537 -11.732 8.728 1.00 0.00 C ATOM 1240 C VAL A 100 18.812 -10.421 8.416 1.00 0.00 C ATOM 1241 O VAL A 100 19.117 -9.767 7.415 1.00 0.00 O ATOM 1242 CB VAL A 100 21.055 -11.477 8.923 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.337 -10.099 9.511 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.657 -12.562 9.800 1.00 0.00 C ATOM 0 H VAL A 100 19.882 -12.519 6.823 1.00 0.00 H new ATOM 0 HA VAL A 100 19.127 -12.139 9.652 1.00 0.00 H new ATOM 0 HB VAL A 100 21.522 -11.507 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.413 -9.967 9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.948 -9.331 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.852 -10.012 10.483 1.00 0.00 H new ATOM 0 HG21 VAL A 100 22.723 -12.374 9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.165 -12.558 10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.515 -13.533 9.326 1.00 0.00 H new ATOM 1254 N LEU A 101 17.836 -10.067 9.254 1.00 0.00 N ATOM 1255 CA LEU A 101 17.073 -8.822 9.089 1.00 0.00 C ATOM 1256 C LEU A 101 18.001 -7.618 9.034 1.00 0.00 C ATOM 1257 O LEU A 101 18.677 -7.302 10.011 1.00 0.00 O ATOM 1258 CB LEU A 101 16.082 -8.632 10.243 1.00 0.00 C ATOM 1259 CG LEU A 101 15.104 -9.784 10.479 1.00 0.00 C ATOM 1260 CD1 LEU A 101 13.997 -9.349 11.425 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.517 -10.280 9.165 1.00 0.00 C ATOM 0 H LEU A 101 17.552 -10.626 10.059 1.00 0.00 H new ATOM 0 HA LEU A 101 16.526 -8.899 8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.648 -8.468 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.507 -7.725 10.057 1.00 0.00 H new ATOM 0 HG LEU A 101 15.652 -10.608 10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.308 -10.178 11.584 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.431 -9.049 12.379 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.457 -8.507 10.991 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.825 -11.099 9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.985 -9.465 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.320 -10.631 8.517 1.00 0.00 H new ATOM 1273 N THR A 102 18.028 -6.955 7.892 1.00 0.00 N ATOM 1274 CA THR A 102 18.833 -5.764 7.722 1.00 0.00 C ATOM 1275 C THR A 102 18.058 -4.545 8.207 1.00 0.00 C ATOM 1276 O THR A 102 18.627 -3.609 8.773 1.00 0.00 O ATOM 1277 CB THR A 102 19.235 -5.584 6.246 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.189 -6.069 5.390 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.518 -6.343 5.952 1.00 0.00 C ATOM 0 H THR A 102 17.497 -7.226 7.064 1.00 0.00 H new ATOM 0 HA THR A 102 19.742 -5.870 8.313 1.00 0.00 H new ATOM 0 HB THR A 102 19.396 -4.522 6.058 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.451 -5.950 4.453 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.790 -6.207 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.319 -5.964 6.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.367 -7.404 6.152 1.00 0.00 H new ATOM 1287 N ASN A 103 16.748 -4.576 7.987 1.00 0.00 N ATOM 1288 CA ASN A 103 15.856 -3.526 8.460 1.00 0.00 C ATOM 1289 C ASN A 103 14.418 -4.022 8.460 1.00 0.00 C ATOM 1290 O ASN A 103 14.064 -4.936 7.713 1.00 0.00 O ATOM 1291 CB ASN A 103 15.982 -2.255 7.599 1.00 0.00 C ATOM 1292 CG ASN A 103 15.172 -2.309 6.313 1.00 0.00 C ATOM 1293 OD1 ASN A 103 15.654 -2.786 5.286 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.947 -1.799 6.353 1.00 0.00 N ATOM 0 H ASN A 103 16.278 -5.325 7.479 1.00 0.00 H new ATOM 0 HA ASN A 103 16.146 -3.270 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.660 -1.395 8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.032 -2.096 7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.369 -1.793 5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.584 -1.413 7.224 1.00 0.00 H new ATOM 1301 N ILE A 104 13.600 -3.443 9.317 1.00 0.00 N ATOM 1302 CA ILE A 104 12.183 -3.755 9.342 1.00 0.00 C ATOM 1303 C ILE A 104 11.385 -2.562 8.835 1.00 0.00 C ATOM 1304 O ILE A 104 11.681 -1.418 9.182 1.00 0.00 O ATOM 1305 CB ILE A 104 11.698 -4.130 10.765 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.109 -5.563 11.101 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.184 -3.972 10.882 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.766 -5.706 12.457 1.00 0.00 C ATOM 0 H ILE A 104 13.893 -2.752 10.008 1.00 0.00 H new ATOM 0 HA ILE A 104 12.024 -4.617 8.695 1.00 0.00 H new ATOM 0 HB ILE A 104 12.167 -3.452 11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.227 -6.202 11.065 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.795 -5.924 10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 104 9.867 -4.241 11.890 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.909 -2.937 10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.693 -4.625 10.161 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.030 -6.750 12.625 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.667 -5.094 12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.075 -5.377 13.233 1.00 0.00 H new ATOM 1320 N ASP A 105 10.402 -2.825 7.991 1.00 0.00 N ATOM 1321 CA ASP A 105 9.474 -1.790 7.567 1.00 0.00 C ATOM 1322 C ASP A 105 8.315 -1.724 8.549 1.00 0.00 C ATOM 1323 O ASP A 105 7.413 -2.560 8.509 1.00 0.00 O ATOM 1324 CB ASP A 105 8.951 -2.088 6.163 1.00 0.00 C ATOM 1325 CG ASP A 105 8.985 -0.875 5.258 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.057 -0.247 5.140 1.00 0.00 O ATOM 1327 OD2 ASP A 105 7.935 -0.528 4.674 1.00 0.00 O ATOM 0 H ASP A 105 10.226 -3.745 7.586 1.00 0.00 H new ATOM 0 HA ASP A 105 9.991 -0.831 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.548 -2.885 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.928 -2.457 6.231 1.00 0.00 H new ATOM 1332 N ASN A 106 8.349 -0.741 9.437 1.00 0.00 N ATOM 1333 CA ASN A 106 7.326 -0.607 10.464 1.00 0.00 C ATOM 1334 C ASN A 106 6.968 0.857 10.673 1.00 0.00 C ATOM 1335 O ASN A 106 7.684 1.598 11.349 1.00 0.00 O ATOM 1336 CB ASN A 106 7.816 -1.225 11.778 1.00 0.00 C ATOM 1337 CG ASN A 106 6.733 -1.296 12.841 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.546 -1.130 12.557 1.00 0.00 O ATOM 1339 ND2 ASN A 106 7.137 -1.555 14.077 1.00 0.00 N ATOM 0 H ASN A 106 9.074 -0.024 9.467 1.00 0.00 H new ATOM 0 HA ASN A 106 6.432 -1.137 10.135 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.192 -2.229 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.653 -0.640 12.159 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.455 -1.623 14.833 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.130 -1.686 14.272 1.00 0.00 H new ATOM 1346 N LYS A 107 5.851 1.259 10.087 1.00 0.00 N ATOM 1347 CA LYS A 107 5.348 2.624 10.195 1.00 0.00 C ATOM 1348 C LYS A 107 3.827 2.576 10.236 1.00 0.00 C ATOM 1349 O LYS A 107 3.250 1.524 10.000 1.00 0.00 O ATOM 1350 CB LYS A 107 5.792 3.477 8.992 1.00 0.00 C ATOM 1351 CG LYS A 107 7.269 3.374 8.653 1.00 0.00 C ATOM 1352 CD LYS A 107 7.470 2.771 7.272 1.00 0.00 C ATOM 1353 CE LYS A 107 8.812 2.071 7.162 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.386 2.179 5.797 1.00 0.00 N ATOM 0 H LYS A 107 5.264 0.647 9.520 1.00 0.00 H new ATOM 0 HA LYS A 107 5.749 3.077 11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.211 3.180 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.551 4.521 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.725 4.364 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.775 2.761 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.670 2.061 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.404 3.555 6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.506 2.503 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.695 1.019 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.929 1.319 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.617 2.288 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.015 3.006 5.749 1.00 0.00 H new ATOM 1368 N PRO A 108 3.153 3.688 10.555 1.00 0.00 N ATOM 1369 CA PRO A 108 1.700 3.769 10.435 1.00 0.00 C ATOM 1370 C PRO A 108 1.264 4.063 8.998 1.00 0.00 C ATOM 1371 O PRO A 108 2.093 4.417 8.152 1.00 0.00 O ATOM 1372 CB PRO A 108 1.343 4.936 11.355 1.00 0.00 C ATOM 1373 CG PRO A 108 2.535 5.829 11.310 1.00 0.00 C ATOM 1374 CD PRO A 108 3.733 4.936 11.090 1.00 0.00 C ATOM 0 HA PRO A 108 1.205 2.834 10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.447 5.453 11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.143 4.593 12.370 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.443 6.559 10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.635 6.390 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.439 5.381 10.389 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.275 4.759 12.019 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.026 3.886 8.719 1.00 0.00 N ATOM 1383 CA ALA A 109 -0.605 4.283 7.435 1.00 0.00 C ATOM 1384 C ALA A 109 -0.617 5.807 7.301 1.00 0.00 C ATOM 1385 O ALA A 109 -1.671 6.440 7.317 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.016 3.729 7.292 1.00 0.00 C ATOM 0 H ALA A 109 -0.693 3.468 9.367 1.00 0.00 H new ATOM 0 HA ALA A 109 0.012 3.869 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.431 4.034 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.987 2.641 7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.642 4.115 8.097 1.00 0.00 H new ATOM 1392 N LEU A 110 0.570 6.385 7.198 1.00 0.00 N ATOM 1393 CA LEU A 110 0.732 7.827 7.111 1.00 0.00 C ATOM 1394 C LEU A 110 1.799 8.167 6.076 1.00 0.00 C ATOM 1395 O LEU A 110 2.468 9.194 6.176 1.00 0.00 O ATOM 1396 CB LEU A 110 1.146 8.385 8.482 1.00 0.00 C ATOM 1397 CG LEU A 110 0.041 9.066 9.300 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -0.924 9.823 8.404 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -0.710 8.047 10.141 1.00 0.00 C ATOM 0 H LEU A 110 1.448 5.867 7.172 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.215 8.275 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.556 7.567 9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 110 1.951 9.103 8.330 1.00 0.00 H new ATOM 0 HG LEU A 110 0.519 9.785 9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.694 10.294 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.381 10.589 7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.390 9.130 7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.489 8.551 10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.164 7.301 9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.016 7.558 10.825 1.00 0.00 H new