USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 106 TYR OH : rot -128:sc= 1.16 USER MOD Set 1.2: A 108 SER OG : rot -108:sc= 1.51! USER MOD Set 1.3: A 110 SER OG : rot -55:sc= 0.372 USER MOD Set 2.1: A 68 CYS SG : rot 180:sc= -2.48! USER MOD Set 2.2: A 77 LYS NZ :NH3+ 177:sc= -2.13! (180deg=-0.212) USER MOD Set 3.1: A 63 SER OG : rot 180:sc= -0.06 USER MOD Set 3.2: A 64 THR OG1 : rot 101:sc= 0.825 USER MOD Single : A 18 THR OG1 : rot -100:sc= -0.436! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0456 (180deg=-0.485) USER MOD Single : A 24 THR OG1 : rot -27:sc= 0.0233 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -57:sc= 0.432 USER MOD Single : A 36 SER OG : rot -33:sc= 0.548 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -104:sc= 1.55 USER MOD Single : A 40 SER OG : rot -109:sc= 0.0297 USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.02 (180deg=-0.241) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 76 THR OG1 : rot -68:sc= 0.607 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 129:sc= 0.925 USER MOD Single : A 105 MET CE :methyl 134:sc= -0.78 (180deg=-1.36) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.22 USER MOD ----------------------------------------------------------------- ATOM 292 N THR A 18 0.072 -20.484 6.845 1.00 0.00 N ATOM 293 CA THR A 18 0.238 -19.242 6.095 1.00 0.00 C ATOM 294 C THR A 18 1.633 -18.670 6.330 1.00 0.00 C ATOM 295 O THR A 18 2.446 -19.271 7.036 1.00 0.00 O ATOM 296 CB THR A 18 -0.829 -18.226 6.534 1.00 0.00 C ATOM 297 OG1 THR A 18 -1.141 -17.377 5.447 1.00 0.00 O ATOM 298 CG2 THR A 18 -0.317 -17.385 7.708 1.00 0.00 C ATOM 0 HA THR A 18 0.119 -19.449 5.031 1.00 0.00 H new ATOM 0 HB THR A 18 -1.721 -18.765 6.852 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.670 -16.524 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.085 -16.671 8.006 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.083 -18.038 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.581 -16.847 7.406 1.00 0.00 H new ATOM 306 N ARG A 19 1.888 -17.497 5.754 1.00 0.00 N ATOM 307 CA ARG A 19 3.187 -16.836 5.915 1.00 0.00 C ATOM 308 C ARG A 19 3.002 -15.415 6.429 1.00 0.00 C ATOM 309 O ARG A 19 1.984 -14.772 6.163 1.00 0.00 O ATOM 310 CB ARG A 19 3.921 -16.816 4.580 1.00 0.00 C ATOM 311 CG ARG A 19 5.313 -16.212 4.777 1.00 0.00 C ATOM 312 CD ARG A 19 6.098 -16.307 3.468 1.00 0.00 C ATOM 313 NE ARG A 19 7.479 -15.891 3.680 1.00 0.00 N ATOM 314 CZ ARG A 19 8.401 -16.065 2.740 1.00 0.00 C ATOM 315 NH1 ARG A 19 8.077 -16.625 1.605 1.00 0.00 N ATOM 316 NH2 ARG A 19 9.632 -15.683 2.951 1.00 0.00 N ATOM 0 H ARG A 19 1.221 -16.986 5.176 1.00 0.00 H new ATOM 0 HA ARG A 19 3.777 -17.393 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.004 -17.827 4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.358 -16.232 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.229 -15.171 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.842 -16.740 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.072 -17.330 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.633 -15.677 2.710 1.00 0.00 H new ATOM 0 HE ARG A 19 7.742 -15.459 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.117 -16.928 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.784 -16.759 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.887 -15.250 3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.339 -15.817 2.228 1.00 0.00 H new ATOM 330 N LYS A 20 3.997 -14.928 7.168 1.00 0.00 N ATOM 331 CA LYS A 20 3.946 -13.579 7.719 1.00 0.00 C ATOM 332 C LYS A 20 5.332 -12.954 7.746 1.00 0.00 C ATOM 333 O LYS A 20 6.276 -13.531 8.278 1.00 0.00 O ATOM 334 CB LYS A 20 3.363 -13.618 9.129 1.00 0.00 C ATOM 335 CG LYS A 20 4.245 -14.493 10.019 1.00 0.00 C ATOM 336 CD LYS A 20 3.503 -14.821 11.313 1.00 0.00 C ATOM 337 CE LYS A 20 3.280 -13.535 12.114 1.00 0.00 C ATOM 338 NZ LYS A 20 2.897 -13.883 13.511 1.00 0.00 N ATOM 0 H LYS A 20 4.845 -15.447 7.397 1.00 0.00 H new ATOM 0 HA LYS A 20 3.307 -12.968 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.303 -12.609 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.347 -14.013 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.508 -15.412 9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.178 -13.976 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.546 -15.292 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.078 -15.535 11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.187 -12.931 12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.498 -12.935 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.745 -13.011 14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.020 -14.443 13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.658 -14.439 13.951 1.00 0.00 H new ATOM 352 N ILE A 21 5.454 -11.763 7.162 1.00 0.00 N ATOM 353 CA ILE A 21 6.737 -11.063 7.129 1.00 0.00 C ATOM 354 C ILE A 21 6.538 -9.565 7.344 1.00 0.00 C ATOM 355 O ILE A 21 5.517 -8.996 6.954 1.00 0.00 O ATOM 356 CB ILE A 21 7.432 -11.316 5.793 1.00 0.00 C ATOM 357 CG1 ILE A 21 6.572 -10.765 4.648 1.00 0.00 C ATOM 358 CG2 ILE A 21 7.635 -12.819 5.597 1.00 0.00 C ATOM 359 CD1 ILE A 21 7.358 -10.825 3.345 1.00 0.00 C ATOM 0 H ILE A 21 4.687 -11.266 6.709 1.00 0.00 H new ATOM 0 HA ILE A 21 7.363 -11.445 7.935 1.00 0.00 H new ATOM 0 HB ILE A 21 8.400 -10.814 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.654 -11.345 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.280 -9.737 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 21 8.131 -12.998 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.251 -13.211 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.667 -13.321 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.746 -10.433 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.264 -10.226 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.628 -11.859 3.130 1.00 0.00 H new ATOM 371 N LYS A 22 7.517 -8.920 7.959 1.00 0.00 N ATOM 372 CA LYS A 22 7.429 -7.480 8.211 1.00 0.00 C ATOM 373 C LYS A 22 8.475 -6.736 7.397 1.00 0.00 C ATOM 374 O LYS A 22 9.505 -6.325 7.923 1.00 0.00 O ATOM 375 CB LYS A 22 7.650 -7.205 9.694 1.00 0.00 C ATOM 376 CG LYS A 22 6.607 -7.967 10.513 1.00 0.00 C ATOM 377 CD LYS A 22 6.783 -7.638 11.995 1.00 0.00 C ATOM 378 CE LYS A 22 5.727 -8.384 12.813 1.00 0.00 C ATOM 379 NZ LYS A 22 5.965 -9.850 12.707 1.00 0.00 N ATOM 0 H LYS A 22 8.375 -9.360 8.292 1.00 0.00 H new ATOM 0 HA LYS A 22 6.439 -7.133 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.654 -7.513 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.574 -6.136 9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.603 -7.696 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.716 -9.040 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.782 -7.923 12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.689 -6.564 12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.772 -8.072 13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.729 -8.139 12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.494 -10.336 13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.580 -10.200 11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.987 -10.039 12.744 1.00 0.00 H new ATOM 393 N ILE A 23 8.205 -6.565 6.101 1.00 0.00 N ATOM 394 CA ILE A 23 9.132 -5.864 5.214 1.00 0.00 C ATOM 395 C ILE A 23 8.549 -4.520 4.801 1.00 0.00 C ATOM 396 O ILE A 23 7.435 -4.450 4.291 1.00 0.00 O ATOM 397 CB ILE A 23 9.414 -6.710 3.963 1.00 0.00 C ATOM 398 CG1 ILE A 23 10.481 -7.764 4.292 1.00 0.00 C ATOM 399 CG2 ILE A 23 9.918 -5.813 2.823 1.00 0.00 C ATOM 400 CD1 ILE A 23 9.992 -8.664 5.430 1.00 0.00 C ATOM 0 H ILE A 23 7.356 -6.901 5.646 1.00 0.00 H new ATOM 0 HA ILE A 23 10.066 -5.699 5.751 1.00 0.00 H new ATOM 0 HB ILE A 23 8.493 -7.202 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.696 -8.365 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.412 -7.275 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.115 -6.422 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.161 -5.066 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.836 -5.314 3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.754 -9.409 5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.800 -8.059 6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.073 -9.166 5.128 1.00 0.00 H new ATOM 412 N THR A 24 9.319 -3.458 5.016 1.00 0.00 N ATOM 413 CA THR A 24 8.883 -2.111 4.648 1.00 0.00 C ATOM 414 C THR A 24 9.901 -1.459 3.722 1.00 0.00 C ATOM 415 O THR A 24 11.088 -1.394 4.038 1.00 0.00 O ATOM 416 CB THR A 24 8.711 -1.262 5.903 1.00 0.00 C ATOM 417 OG1 THR A 24 7.715 -1.844 6.732 1.00 0.00 O ATOM 418 CG2 THR A 24 8.289 0.152 5.506 1.00 0.00 C ATOM 0 H THR A 24 10.245 -3.501 5.441 1.00 0.00 H new ATOM 0 HA THR A 24 7.929 -2.183 4.127 1.00 0.00 H new ATOM 0 HB THR A 24 9.654 -1.217 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.089 -2.358 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.166 0.760 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.055 0.595 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.345 0.111 4.963 1.00 0.00 H new ATOM 426 N PHE A 25 9.429 -0.974 2.577 1.00 0.00 N ATOM 427 CA PHE A 25 10.305 -0.319 1.603 1.00 0.00 C ATOM 428 C PHE A 25 9.721 1.018 1.181 1.00 0.00 C ATOM 429 O PHE A 25 8.532 1.124 0.899 1.00 0.00 O ATOM 430 CB PHE A 25 10.483 -1.217 0.379 1.00 0.00 C ATOM 431 CG PHE A 25 11.379 -0.526 -0.620 1.00 0.00 C ATOM 432 CD1 PHE A 25 12.751 -0.405 -0.362 1.00 0.00 C ATOM 433 CD2 PHE A 25 10.843 -0.004 -1.802 1.00 0.00 C ATOM 434 CE1 PHE A 25 13.584 0.236 -1.286 1.00 0.00 C ATOM 435 CE2 PHE A 25 11.675 0.636 -2.727 1.00 0.00 C ATOM 436 CZ PHE A 25 13.046 0.756 -2.468 1.00 0.00 C ATOM 0 H PHE A 25 8.449 -1.021 2.299 1.00 0.00 H new ATOM 0 HA PHE A 25 11.276 -0.146 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.917 -2.172 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 25 9.514 -1.433 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 25 13.166 -0.807 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.785 -0.095 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 25 14.641 0.329 -1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.260 1.037 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.689 1.250 -3.181 1.00 0.00 H new ATOM 446 N ALA A 26 10.564 2.046 1.150 1.00 0.00 N ATOM 447 CA ALA A 26 10.108 3.375 0.766 1.00 0.00 C ATOM 448 C ALA A 26 9.652 3.390 -0.690 1.00 0.00 C ATOM 449 O ALA A 26 10.468 3.348 -1.611 1.00 0.00 O ATOM 450 CB ALA A 26 11.246 4.388 0.957 1.00 0.00 C ATOM 0 H ALA A 26 11.555 1.985 1.383 1.00 0.00 H new ATOM 0 HA ALA A 26 9.263 3.647 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.901 5.381 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.551 4.399 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.094 4.104 0.335 1.00 0.00 H new ATOM 456 N LEU A 27 8.341 3.473 -0.892 1.00 0.00 N ATOM 457 CA LEU A 27 7.790 3.523 -2.241 1.00 0.00 C ATOM 458 C LEU A 27 8.046 4.880 -2.882 1.00 0.00 C ATOM 459 O LEU A 27 8.410 4.964 -4.052 1.00 0.00 O ATOM 460 CB LEU A 27 6.278 3.233 -2.201 1.00 0.00 C ATOM 461 CG LEU A 27 6.038 1.728 -2.298 1.00 0.00 C ATOM 462 CD1 LEU A 27 6.751 1.022 -1.148 1.00 0.00 C ATOM 463 CD2 LEU A 27 4.538 1.451 -2.216 1.00 0.00 C ATOM 0 H LEU A 27 7.646 3.507 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 27 8.286 2.762 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.848 3.620 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.778 3.744 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 27 6.427 1.356 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.579 -0.052 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.821 1.223 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.363 1.390 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.362 0.378 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.151 1.822 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.029 1.956 -3.038 1.00 0.00 H new ATOM 475 N ASP A 28 7.836 5.942 -2.110 1.00 0.00 N ATOM 476 CA ASP A 28 8.032 7.301 -2.608 1.00 0.00 C ATOM 477 C ASP A 28 8.791 8.141 -1.585 1.00 0.00 C ATOM 478 O ASP A 28 10.015 8.249 -1.646 1.00 0.00 O ATOM 479 CB ASP A 28 6.680 7.951 -2.903 1.00 0.00 C ATOM 480 CG ASP A 28 6.051 7.307 -4.135 1.00 0.00 C ATOM 481 OD1 ASP A 28 6.760 6.612 -4.844 1.00 0.00 O ATOM 482 OD2 ASP A 28 4.869 7.520 -4.355 1.00 0.00 O ATOM 0 H ASP A 28 7.531 5.889 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 28 8.617 7.250 -3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.018 7.838 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.809 9.021 -3.067 1.00 0.00 H new ATOM 487 N ALA A 29 8.055 8.734 -0.651 1.00 0.00 N ATOM 488 CA ALA A 29 8.670 9.567 0.378 1.00 0.00 C ATOM 489 C ALA A 29 7.672 9.855 1.503 1.00 0.00 C ATOM 490 O ALA A 29 7.617 9.142 2.509 1.00 0.00 O ATOM 491 CB ALA A 29 9.142 10.886 -0.239 1.00 0.00 C ATOM 0 H ALA A 29 7.040 8.655 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 29 9.524 9.032 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.600 11.505 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.873 10.681 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.289 11.413 -0.668 1.00 0.00 H new ATOM 497 N THR A 30 6.875 10.900 1.324 1.00 0.00 N ATOM 498 CA THR A 30 5.882 11.267 2.327 1.00 0.00 C ATOM 499 C THR A 30 4.915 10.107 2.565 1.00 0.00 C ATOM 500 O THR A 30 4.604 9.759 3.711 1.00 0.00 O ATOM 501 CB THR A 30 5.103 12.499 1.858 1.00 0.00 C ATOM 502 OG1 THR A 30 4.267 12.954 2.914 1.00 0.00 O ATOM 503 CG2 THR A 30 4.246 12.138 0.643 1.00 0.00 C ATOM 0 H THR A 30 6.895 11.504 0.502 1.00 0.00 H new ATOM 0 HA THR A 30 6.395 11.496 3.261 1.00 0.00 H new ATOM 0 HB THR A 30 5.802 13.287 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.767 13.744 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.694 13.018 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.889 11.789 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.544 11.350 0.914 1.00 0.00 H new ATOM 511 N PHE A 31 4.449 9.506 1.476 1.00 0.00 N ATOM 512 CA PHE A 31 3.531 8.381 1.568 1.00 0.00 C ATOM 513 C PHE A 31 4.188 7.218 2.304 1.00 0.00 C ATOM 514 O PHE A 31 3.526 6.489 3.032 1.00 0.00 O ATOM 515 CB PHE A 31 3.099 7.933 0.169 1.00 0.00 C ATOM 516 CG PHE A 31 2.307 6.647 0.268 1.00 0.00 C ATOM 517 CD1 PHE A 31 1.068 6.639 0.919 1.00 0.00 C ATOM 518 CD2 PHE A 31 2.817 5.465 -0.284 1.00 0.00 C ATOM 519 CE1 PHE A 31 0.337 5.449 1.017 1.00 0.00 C ATOM 520 CE2 PHE A 31 2.086 4.276 -0.187 1.00 0.00 C ATOM 521 CZ PHE A 31 0.845 4.267 0.462 1.00 0.00 C ATOM 0 H PHE A 31 4.692 9.779 0.524 1.00 0.00 H new ATOM 0 HA PHE A 31 2.651 8.699 2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.495 8.709 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.975 7.785 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.676 7.550 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.774 5.471 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.618 5.442 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.479 3.365 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.280 3.350 0.535 1.00 0.00 H new ATOM 531 N ASP A 32 5.486 7.043 2.090 1.00 0.00 N ATOM 532 CA ASP A 32 6.213 5.951 2.727 1.00 0.00 C ATOM 533 C ASP A 32 6.178 6.106 4.243 1.00 0.00 C ATOM 534 O ASP A 32 5.940 5.142 4.971 1.00 0.00 O ATOM 535 CB ASP A 32 7.666 5.946 2.247 1.00 0.00 C ATOM 536 CG ASP A 32 7.718 5.591 0.770 1.00 0.00 C ATOM 537 OD1 ASP A 32 6.708 5.149 0.254 1.00 0.00 O ATOM 538 OD2 ASP A 32 8.768 5.772 0.176 1.00 0.00 O ATOM 0 H ASP A 32 6.053 7.637 1.486 1.00 0.00 H new ATOM 0 HA ASP A 32 5.737 5.009 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.116 6.925 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.247 5.227 2.824 1.00 0.00 H new ATOM 543 N SER A 33 6.412 7.331 4.714 1.00 0.00 N ATOM 544 CA SER A 33 6.395 7.593 6.152 1.00 0.00 C ATOM 545 C SER A 33 5.012 7.307 6.735 1.00 0.00 C ATOM 546 O SER A 33 4.882 6.629 7.761 1.00 0.00 O ATOM 547 CB SER A 33 6.768 9.054 6.415 1.00 0.00 C ATOM 548 OG SER A 33 5.838 9.899 5.749 1.00 0.00 O ATOM 0 H SER A 33 6.612 8.144 4.132 1.00 0.00 H new ATOM 0 HA SER A 33 7.120 6.936 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.761 9.257 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.779 9.254 6.060 1.00 0.00 H new ATOM 0 HG SER A 33 5.828 9.685 4.793 1.00 0.00 H new ATOM 554 N VAL A 34 3.981 7.811 6.063 1.00 0.00 N ATOM 555 CA VAL A 34 2.613 7.592 6.521 1.00 0.00 C ATOM 556 C VAL A 34 2.252 6.112 6.437 1.00 0.00 C ATOM 557 O VAL A 34 1.647 5.550 7.353 1.00 0.00 O ATOM 558 CB VAL A 34 1.640 8.413 5.673 1.00 0.00 C ATOM 559 CG1 VAL A 34 0.199 8.070 6.060 1.00 0.00 C ATOM 560 CG2 VAL A 34 1.889 9.904 5.916 1.00 0.00 C ATOM 0 H VAL A 34 4.064 8.366 5.211 1.00 0.00 H new ATOM 0 HA VAL A 34 2.540 7.911 7.561 1.00 0.00 H new ATOM 0 HB VAL A 34 1.795 8.181 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.490 8.657 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.019 7.009 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.041 8.300 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.197 10.492 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.734 10.132 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.913 10.152 5.638 1.00 0.00 H new ATOM 570 N LEU A 35 2.616 5.486 5.323 1.00 0.00 N ATOM 571 CA LEU A 35 2.313 4.083 5.126 1.00 0.00 C ATOM 572 C LEU A 35 2.987 3.237 6.200 1.00 0.00 C ATOM 573 O LEU A 35 2.375 2.330 6.765 1.00 0.00 O ATOM 574 CB LEU A 35 2.798 3.631 3.739 1.00 0.00 C ATOM 575 CG LEU A 35 2.456 2.148 3.519 1.00 0.00 C ATOM 576 CD1 LEU A 35 0.931 1.974 3.456 1.00 0.00 C ATOM 577 CD2 LEU A 35 3.080 1.671 2.208 1.00 0.00 C ATOM 0 H LEU A 35 3.117 5.928 4.552 1.00 0.00 H new ATOM 0 HA LEU A 35 1.233 3.950 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.330 4.239 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.874 3.781 3.655 1.00 0.00 H new ATOM 0 HG LEU A 35 2.852 1.558 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.691 0.922 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.487 2.313 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.531 2.564 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.838 0.620 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.685 2.261 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.162 1.791 2.255 1.00 0.00 H new ATOM 589 N SER A 36 4.253 3.534 6.472 1.00 0.00 N ATOM 590 CA SER A 36 4.999 2.788 7.476 1.00 0.00 C ATOM 591 C SER A 36 4.320 2.914 8.837 1.00 0.00 C ATOM 592 O SER A 36 4.203 1.941 9.581 1.00 0.00 O ATOM 593 CB SER A 36 6.427 3.325 7.567 1.00 0.00 C ATOM 594 OG SER A 36 6.388 4.699 7.934 1.00 0.00 O ATOM 0 H SER A 36 4.779 4.279 6.016 1.00 0.00 H new ATOM 0 HA SER A 36 5.024 1.738 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.996 2.756 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.935 3.206 6.610 1.00 0.00 H new ATOM 0 HG SER A 36 5.584 5.115 7.558 1.00 0.00 H new ATOM 600 N LYS A 37 3.864 4.117 9.154 1.00 0.00 N ATOM 601 CA LYS A 37 3.187 4.351 10.424 1.00 0.00 C ATOM 602 C LYS A 37 1.869 3.587 10.477 1.00 0.00 C ATOM 603 O LYS A 37 1.427 3.164 11.545 1.00 0.00 O ATOM 604 CB LYS A 37 2.923 5.845 10.609 1.00 0.00 C ATOM 605 CG LYS A 37 2.375 6.099 12.016 1.00 0.00 C ATOM 606 CD LYS A 37 2.184 7.603 12.225 1.00 0.00 C ATOM 607 CE LYS A 37 1.648 7.859 13.635 1.00 0.00 C ATOM 608 NZ LYS A 37 1.475 9.324 13.841 1.00 0.00 N ATOM 0 H LYS A 37 3.948 4.940 8.557 1.00 0.00 H new ATOM 0 HA LYS A 37 3.831 3.996 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.844 6.409 10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.210 6.194 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.426 5.579 12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.062 5.702 12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.131 8.123 12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.490 7.999 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.696 7.347 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.337 7.455 14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.111 9.499 14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.392 9.801 13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.801 9.696 13.141 1.00 0.00 H new ATOM 622 N ALA A 38 1.233 3.431 9.318 1.00 0.00 N ATOM 623 CA ALA A 38 -0.046 2.730 9.245 1.00 0.00 C ATOM 624 C ALA A 38 0.155 1.265 8.884 1.00 0.00 C ATOM 625 O ALA A 38 0.065 0.388 9.740 1.00 0.00 O ATOM 626 CB ALA A 38 -0.943 3.391 8.198 1.00 0.00 C ATOM 0 H ALA A 38 1.579 3.778 8.423 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.519 2.786 10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.895 2.863 8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.119 4.431 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.456 3.351 7.224 1.00 0.00 H new ATOM 632 N CYS A 39 0.425 1.005 7.609 1.00 0.00 N ATOM 633 CA CYS A 39 0.631 -0.365 7.134 1.00 0.00 C ATOM 634 C CYS A 39 2.108 -0.634 6.893 1.00 0.00 C ATOM 635 O CYS A 39 2.638 -0.321 5.830 1.00 0.00 O ATOM 636 CB CYS A 39 -0.152 -0.590 5.838 1.00 0.00 C ATOM 637 SG CYS A 39 -0.523 -2.352 5.663 1.00 0.00 S ATOM 0 H CYS A 39 0.507 1.720 6.886 1.00 0.00 H new ATOM 0 HA CYS A 39 0.272 -1.053 7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.076 -0.012 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.429 -0.242 4.984 1.00 0.00 H new ATOM 0 HG CYS A 39 0.271 -2.877 4.777 1.00 0.00 H new ATOM 643 N SER A 40 2.769 -1.228 7.881 1.00 0.00 N ATOM 644 CA SER A 40 4.192 -1.560 7.763 1.00 0.00 C ATOM 645 C SER A 40 4.381 -3.069 7.707 1.00 0.00 C ATOM 646 O SER A 40 5.327 -3.560 7.095 1.00 0.00 O ATOM 647 CB SER A 40 4.964 -0.987 8.954 1.00 0.00 C ATOM 648 OG SER A 40 4.171 -1.101 10.127 1.00 0.00 O ATOM 0 H SER A 40 2.347 -1.491 8.772 1.00 0.00 H new ATOM 0 HA SER A 40 4.576 -1.122 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.905 -1.522 9.084 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.215 0.058 8.771 1.00 0.00 H new ATOM 0 HG SER A 40 3.864 -0.212 10.402 1.00 0.00 H new ATOM 654 N GLU A 41 3.481 -3.804 8.357 1.00 0.00 N ATOM 655 CA GLU A 41 3.572 -5.262 8.380 1.00 0.00 C ATOM 656 C GLU A 41 2.703 -5.864 7.286 1.00 0.00 C ATOM 657 O GLU A 41 1.601 -5.384 7.024 1.00 0.00 O ATOM 658 CB GLU A 41 3.114 -5.788 9.740 1.00 0.00 C ATOM 659 CG GLU A 41 4.004 -5.200 10.839 1.00 0.00 C ATOM 660 CD GLU A 41 3.546 -5.701 12.204 1.00 0.00 C ATOM 661 OE1 GLU A 41 2.587 -6.455 12.246 1.00 0.00 O ATOM 662 OE2 GLU A 41 4.159 -5.323 13.190 1.00 0.00 O ATOM 0 H GLU A 41 2.688 -3.419 8.870 1.00 0.00 H new ATOM 0 HA GLU A 41 4.609 -5.549 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.073 -5.516 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.167 -6.877 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.042 -5.484 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.962 -4.111 10.809 1.00 0.00 H new ATOM 669 N PHE A 42 3.205 -6.925 6.652 1.00 0.00 N ATOM 670 CA PHE A 42 2.453 -7.591 5.586 1.00 0.00 C ATOM 671 C PHE A 42 2.537 -9.102 5.738 1.00 0.00 C ATOM 672 O PHE A 42 3.610 -9.661 5.952 1.00 0.00 O ATOM 673 CB PHE A 42 3.011 -7.178 4.222 1.00 0.00 C ATOM 674 CG PHE A 42 2.729 -5.713 3.985 1.00 0.00 C ATOM 675 CD1 PHE A 42 1.525 -5.320 3.392 1.00 0.00 C ATOM 676 CD2 PHE A 42 3.675 -4.749 4.356 1.00 0.00 C ATOM 677 CE1 PHE A 42 1.263 -3.962 3.170 1.00 0.00 C ATOM 678 CE2 PHE A 42 3.414 -3.392 4.135 1.00 0.00 C ATOM 679 CZ PHE A 42 2.208 -2.998 3.542 1.00 0.00 C ATOM 0 H PHE A 42 4.116 -7.337 6.854 1.00 0.00 H new ATOM 0 HA PHE A 42 1.408 -7.290 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.085 -7.363 4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.557 -7.779 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.797 -6.064 3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.605 -5.053 4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.333 -3.659 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.143 -2.648 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.007 -1.951 3.372 1.00 0.00 H new ATOM 689 N GLU A 43 1.397 -9.769 5.626 1.00 0.00 N ATOM 690 CA GLU A 43 1.355 -11.224 5.751 1.00 0.00 C ATOM 691 C GLU A 43 0.522 -11.835 4.643 1.00 0.00 C ATOM 692 O GLU A 43 -0.491 -11.273 4.233 1.00 0.00 O ATOM 693 CB GLU A 43 0.768 -11.612 7.114 1.00 0.00 C ATOM 694 CG GLU A 43 -0.653 -11.052 7.231 1.00 0.00 C ATOM 695 CD GLU A 43 -1.238 -11.397 8.596 1.00 0.00 C ATOM 696 OE1 GLU A 43 -1.003 -12.503 9.056 1.00 0.00 O ATOM 697 OE2 GLU A 43 -1.913 -10.552 9.159 1.00 0.00 O ATOM 0 H GLU A 43 0.493 -9.332 5.450 1.00 0.00 H new ATOM 0 HA GLU A 43 2.373 -11.606 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.754 -12.697 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.393 -11.220 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.639 -9.971 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.282 -11.465 6.442 1.00 0.00 H new ATOM 704 N VAL A 44 0.954 -12.999 4.157 1.00 0.00 N ATOM 705 CA VAL A 44 0.236 -13.688 3.086 1.00 0.00 C ATOM 706 C VAL A 44 0.329 -15.200 3.258 1.00 0.00 C ATOM 707 O VAL A 44 -0.305 -15.773 4.134 1.00 0.00 O ATOM 708 CB VAL A 44 0.814 -13.281 1.721 1.00 0.00 C ATOM 709 CG1 VAL A 44 0.199 -11.958 1.267 1.00 0.00 C ATOM 710 CG2 VAL A 44 2.332 -13.119 1.847 1.00 0.00 C ATOM 0 H VAL A 44 1.791 -13.481 4.485 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.814 -13.399 3.134 1.00 0.00 H new ATOM 0 HB VAL A 44 0.582 -14.052 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.614 -11.677 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.882 -12.070 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.425 -11.182 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.748 -12.830 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.556 -12.348 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.774 -14.064 2.165 1.00 0.00 H new ATOM 720 N ASP A 45 1.134 -15.838 2.421 1.00 0.00 N ATOM 721 CA ASP A 45 1.297 -17.282 2.484 1.00 0.00 C ATOM 722 C ASP A 45 2.495 -17.727 1.654 1.00 0.00 C ATOM 723 O ASP A 45 2.971 -16.992 0.789 1.00 0.00 O ATOM 724 CB ASP A 45 0.029 -17.962 1.961 1.00 0.00 C ATOM 725 CG ASP A 45 -0.272 -17.482 0.544 1.00 0.00 C ATOM 726 OD1 ASP A 45 0.581 -16.831 -0.033 1.00 0.00 O ATOM 727 OD2 ASP A 45 -1.354 -17.772 0.062 1.00 0.00 O ATOM 0 H ASP A 45 1.682 -15.380 1.693 1.00 0.00 H new ATOM 0 HA ASP A 45 1.469 -17.568 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.157 -19.044 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.812 -17.736 2.617 1.00 0.00 H new ATOM 732 N LYS A 46 2.976 -18.932 1.923 1.00 0.00 N ATOM 733 CA LYS A 46 4.116 -19.468 1.189 1.00 0.00 C ATOM 734 C LYS A 46 3.766 -19.641 -0.285 1.00 0.00 C ATOM 735 O LYS A 46 2.595 -19.642 -0.659 1.00 0.00 O ATOM 736 CB LYS A 46 4.528 -20.815 1.777 1.00 0.00 C ATOM 737 CG LYS A 46 3.352 -21.794 1.698 1.00 0.00 C ATOM 738 CD LYS A 46 3.774 -23.160 2.270 1.00 0.00 C ATOM 739 CE LYS A 46 4.378 -24.020 1.155 1.00 0.00 C ATOM 740 NZ LYS A 46 3.285 -24.519 0.272 1.00 0.00 N ATOM 0 H LYS A 46 2.599 -19.554 2.638 1.00 0.00 H new ATOM 0 HA LYS A 46 4.945 -18.766 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.383 -21.214 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.841 -20.690 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.502 -21.402 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.029 -21.906 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.501 -23.022 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.912 -23.665 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.092 -23.435 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.927 -24.859 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.602 -25.377 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.448 -24.740 0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.042 -23.788 -0.426 1.00 0.00 H new ATOM 754 N ASP A 47 4.790 -19.788 -1.116 1.00 0.00 N ATOM 755 CA ASP A 47 4.584 -19.961 -2.550 1.00 0.00 C ATOM 756 C ASP A 47 3.887 -18.744 -3.138 1.00 0.00 C ATOM 757 O ASP A 47 3.049 -18.870 -4.028 1.00 0.00 O ATOM 758 CB ASP A 47 3.736 -21.208 -2.813 1.00 0.00 C ATOM 759 CG ASP A 47 3.839 -21.612 -4.281 1.00 0.00 C ATOM 760 OD1 ASP A 47 4.390 -20.841 -5.049 1.00 0.00 O ATOM 761 OD2 ASP A 47 3.367 -22.686 -4.613 1.00 0.00 O ATOM 0 H ASP A 47 5.767 -19.791 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 47 5.558 -20.078 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.073 -22.027 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.696 -21.011 -2.554 1.00 0.00 H new ATOM 766 N VAL A 48 4.239 -17.562 -2.635 1.00 0.00 N ATOM 767 CA VAL A 48 3.638 -16.316 -3.122 1.00 0.00 C ATOM 768 C VAL A 48 4.687 -15.467 -3.828 1.00 0.00 C ATOM 769 O VAL A 48 5.723 -15.132 -3.257 1.00 0.00 O ATOM 770 CB VAL A 48 3.053 -15.534 -1.944 1.00 0.00 C ATOM 771 CG1 VAL A 48 4.182 -15.049 -1.027 1.00 0.00 C ATOM 772 CG2 VAL A 48 2.268 -14.331 -2.474 1.00 0.00 C ATOM 0 H VAL A 48 4.931 -17.438 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 48 2.845 -16.558 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 48 2.387 -16.183 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.758 -14.493 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.737 -15.907 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.855 -14.401 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.850 -13.772 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.934 -13.685 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.460 -14.679 -3.118 1.00 0.00 H new ATOM 782 N THR A 49 4.405 -15.118 -5.080 1.00 0.00 N ATOM 783 CA THR A 49 5.326 -14.303 -5.862 1.00 0.00 C ATOM 784 C THR A 49 5.123 -12.823 -5.549 1.00 0.00 C ATOM 785 O THR A 49 4.164 -12.444 -4.880 1.00 0.00 O ATOM 786 CB THR A 49 5.103 -14.549 -7.354 1.00 0.00 C ATOM 787 OG1 THR A 49 3.801 -14.115 -7.717 1.00 0.00 O ATOM 788 CG2 THR A 49 5.248 -16.044 -7.654 1.00 0.00 C ATOM 0 H THR A 49 3.552 -15.385 -5.571 1.00 0.00 H new ATOM 0 HA THR A 49 6.346 -14.582 -5.599 1.00 0.00 H new ATOM 0 HB THR A 49 5.843 -13.992 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.659 -14.271 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.089 -16.219 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.249 -16.375 -7.378 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.509 -16.604 -7.080 1.00 0.00 H new ATOM 796 N LEU A 50 6.032 -11.993 -6.035 1.00 0.00 N ATOM 797 CA LEU A 50 5.948 -10.555 -5.796 1.00 0.00 C ATOM 798 C LEU A 50 4.656 -9.998 -6.381 1.00 0.00 C ATOM 799 O LEU A 50 4.014 -9.137 -5.777 1.00 0.00 O ATOM 800 CB LEU A 50 7.149 -9.843 -6.439 1.00 0.00 C ATOM 801 CG LEU A 50 7.551 -10.577 -7.740 1.00 0.00 C ATOM 802 CD1 LEU A 50 8.063 -9.564 -8.765 1.00 0.00 C ATOM 803 CD2 LEU A 50 8.658 -11.601 -7.436 1.00 0.00 C ATOM 0 H LEU A 50 6.833 -12.285 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 50 5.958 -10.381 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.895 -8.806 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.989 -9.826 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 50 6.680 -11.093 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.346 -10.084 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.278 -8.841 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.931 -9.044 -8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.939 -12.116 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.528 -11.086 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.293 -12.327 -6.710 1.00 0.00 H new ATOM 815 N ASP A 51 4.281 -10.480 -7.560 1.00 0.00 N ATOM 816 CA ASP A 51 3.066 -10.004 -8.215 1.00 0.00 C ATOM 817 C ASP A 51 1.870 -10.129 -7.272 1.00 0.00 C ATOM 818 O ASP A 51 1.120 -9.165 -7.057 1.00 0.00 O ATOM 819 CB ASP A 51 2.809 -10.831 -9.480 1.00 0.00 C ATOM 820 CG ASP A 51 3.839 -10.488 -10.550 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.441 -9.431 -10.448 1.00 0.00 O ATOM 822 OD2 ASP A 51 4.016 -11.289 -11.452 1.00 0.00 O ATOM 0 H ASP A 51 4.794 -11.193 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 51 3.197 -8.955 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.858 -11.894 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.805 -10.634 -9.855 1.00 0.00 H new ATOM 827 N GLU A 52 1.707 -11.314 -6.689 1.00 0.00 N ATOM 828 CA GLU A 52 0.609 -11.548 -5.763 1.00 0.00 C ATOM 829 C GLU A 52 0.748 -10.649 -4.539 1.00 0.00 C ATOM 830 O GLU A 52 -0.245 -10.132 -4.015 1.00 0.00 O ATOM 831 CB GLU A 52 0.592 -13.015 -5.327 1.00 0.00 C ATOM 832 CG GLU A 52 0.228 -13.898 -6.523 1.00 0.00 C ATOM 833 CD GLU A 52 0.244 -15.367 -6.112 1.00 0.00 C ATOM 834 OE1 GLU A 52 0.431 -15.630 -4.936 1.00 0.00 O ATOM 835 OE2 GLU A 52 0.072 -16.206 -6.978 1.00 0.00 O ATOM 0 H GLU A 52 2.316 -12.118 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.328 -11.314 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.568 -13.300 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.129 -13.158 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.759 -13.628 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.934 -13.732 -7.336 1.00 0.00 H new ATOM 842 N LEU A 53 1.984 -10.458 -4.089 1.00 0.00 N ATOM 843 CA LEU A 53 2.233 -9.611 -2.934 1.00 0.00 C ATOM 844 C LEU A 53 1.803 -8.180 -3.226 1.00 0.00 C ATOM 845 O LEU A 53 1.101 -7.566 -2.433 1.00 0.00 O ATOM 846 CB LEU A 53 3.726 -9.646 -2.573 1.00 0.00 C ATOM 847 CG LEU A 53 3.981 -8.787 -1.326 1.00 0.00 C ATOM 848 CD1 LEU A 53 3.237 -9.380 -0.118 1.00 0.00 C ATOM 849 CD2 LEU A 53 5.484 -8.745 -1.041 1.00 0.00 C ATOM 0 H LEU A 53 2.818 -10.874 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 53 1.652 -9.986 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.041 -10.673 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.320 -9.276 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 53 3.615 -7.776 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.423 -8.765 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.167 -9.403 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.592 -10.394 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.670 -8.136 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.850 -9.757 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.004 -8.312 -1.895 1.00 0.00 H new ATOM 861 N LEU A 54 2.229 -7.661 -4.363 1.00 0.00 N ATOM 862 CA LEU A 54 1.891 -6.294 -4.736 1.00 0.00 C ATOM 863 C LEU A 54 0.380 -6.112 -4.692 1.00 0.00 C ATOM 864 O LEU A 54 -0.115 -5.084 -4.223 1.00 0.00 O ATOM 865 CB LEU A 54 2.397 -6.009 -6.151 1.00 0.00 C ATOM 866 CG LEU A 54 2.275 -4.503 -6.452 1.00 0.00 C ATOM 867 CD1 LEU A 54 3.422 -3.734 -5.771 1.00 0.00 C ATOM 868 CD2 LEU A 54 2.335 -4.279 -7.966 1.00 0.00 C ATOM 0 H LEU A 54 2.806 -8.158 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 54 2.361 -5.603 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.435 -6.326 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.820 -6.583 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 54 1.324 -4.137 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.327 -2.670 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.374 -3.889 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.378 -4.098 -6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.249 -3.214 -8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.284 -4.651 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.515 -4.813 -8.446 1.00 0.00 H new ATOM 880 N ASP A 55 -0.345 -7.113 -5.174 1.00 0.00 N ATOM 881 CA ASP A 55 -1.805 -7.046 -5.166 1.00 0.00 C ATOM 882 C ASP A 55 -2.333 -6.955 -3.735 1.00 0.00 C ATOM 883 O ASP A 55 -3.181 -6.115 -3.424 1.00 0.00 O ATOM 884 CB ASP A 55 -2.383 -8.288 -5.845 1.00 0.00 C ATOM 885 CG ASP A 55 -3.907 -8.212 -5.868 1.00 0.00 C ATOM 886 OD1 ASP A 55 -4.446 -7.308 -5.249 1.00 0.00 O ATOM 887 OD2 ASP A 55 -4.513 -9.054 -6.507 1.00 0.00 O ATOM 0 H ASP A 55 0.043 -7.969 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.113 -6.153 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.000 -8.367 -6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.064 -9.184 -5.313 1.00 0.00 H new ATOM 892 N VAL A 56 -1.824 -7.823 -2.864 1.00 0.00 N ATOM 893 CA VAL A 56 -2.251 -7.831 -1.468 1.00 0.00 C ATOM 894 C VAL A 56 -1.841 -6.534 -0.774 1.00 0.00 C ATOM 895 O VAL A 56 -2.616 -5.943 -0.016 1.00 0.00 O ATOM 896 CB VAL A 56 -1.638 -9.030 -0.741 1.00 0.00 C ATOM 897 CG1 VAL A 56 -1.960 -8.946 0.751 1.00 0.00 C ATOM 898 CG2 VAL A 56 -2.223 -10.326 -1.314 1.00 0.00 C ATOM 0 H VAL A 56 -1.121 -8.524 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.338 -7.912 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.557 -9.022 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.522 -9.801 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.547 -8.025 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.041 -8.952 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.788 -11.181 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.304 -10.330 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.994 -10.389 -2.378 1.00 0.00 H new ATOM 908 N VAL A 57 -0.613 -6.101 -1.033 1.00 0.00 N ATOM 909 CA VAL A 57 -0.100 -4.880 -0.429 1.00 0.00 C ATOM 910 C VAL A 57 -0.945 -3.682 -0.859 1.00 0.00 C ATOM 911 O VAL A 57 -1.317 -2.837 -0.036 1.00 0.00 O ATOM 912 CB VAL A 57 1.359 -4.668 -0.840 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.829 -3.287 -0.363 1.00 0.00 C ATOM 914 CG2 VAL A 57 2.230 -5.747 -0.198 1.00 0.00 C ATOM 0 H VAL A 57 0.042 -6.575 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.154 -4.974 0.656 1.00 0.00 H new ATOM 0 HB VAL A 57 1.443 -4.728 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.868 -3.135 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.208 -2.515 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.745 -3.229 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.269 -5.597 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.145 -5.685 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.897 -6.730 -0.532 1.00 0.00 H new ATOM 924 N LEU A 58 -1.254 -3.621 -2.150 1.00 0.00 N ATOM 925 CA LEU A 58 -2.054 -2.527 -2.668 1.00 0.00 C ATOM 926 C LEU A 58 -3.423 -2.519 -1.993 1.00 0.00 C ATOM 927 O LEU A 58 -3.920 -1.470 -1.587 1.00 0.00 O ATOM 928 CB LEU A 58 -2.217 -2.675 -4.185 1.00 0.00 C ATOM 929 CG LEU A 58 -3.157 -1.578 -4.717 1.00 0.00 C ATOM 930 CD1 LEU A 58 -2.620 -0.195 -4.324 1.00 0.00 C ATOM 931 CD2 LEU A 58 -3.245 -1.679 -6.240 1.00 0.00 C ATOM 0 H LEU A 58 -0.965 -4.309 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.550 -1.584 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.245 -2.603 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.620 -3.659 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.148 -1.712 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.290 0.577 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.561 -0.123 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.627 -0.056 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.910 -0.903 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.253 -1.548 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.635 -2.658 -6.518 1.00 0.00 H new ATOM 943 N ASP A 59 -4.030 -3.693 -1.887 1.00 0.00 N ATOM 944 CA ASP A 59 -5.347 -3.806 -1.265 1.00 0.00 C ATOM 945 C ASP A 59 -5.306 -3.209 0.136 1.00 0.00 C ATOM 946 O ASP A 59 -6.210 -2.470 0.533 1.00 0.00 O ATOM 947 CB ASP A 59 -5.755 -5.277 -1.182 1.00 0.00 C ATOM 948 CG ASP A 59 -7.162 -5.396 -0.606 1.00 0.00 C ATOM 949 OD1 ASP A 59 -7.692 -4.383 -0.178 1.00 0.00 O ATOM 950 OD2 ASP A 59 -7.687 -6.496 -0.599 1.00 0.00 O ATOM 0 H ASP A 59 -3.638 -4.574 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.075 -3.264 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.719 -5.729 -2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.050 -5.824 -0.556 1.00 0.00 H new ATOM 955 N ALA A 60 -4.248 -3.522 0.881 1.00 0.00 N ATOM 956 CA ALA A 60 -4.100 -2.995 2.236 1.00 0.00 C ATOM 957 C ALA A 60 -4.030 -1.472 2.211 1.00 0.00 C ATOM 958 O ALA A 60 -4.594 -0.799 3.074 1.00 0.00 O ATOM 959 CB ALA A 60 -2.826 -3.551 2.878 1.00 0.00 C ATOM 0 H ALA A 60 -3.489 -4.130 0.574 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.967 -3.302 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.724 -3.153 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.885 -4.639 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.961 -3.258 2.283 1.00 0.00 H new ATOM 965 N VAL A 61 -3.343 -0.932 1.213 1.00 0.00 N ATOM 966 CA VAL A 61 -3.214 0.518 1.083 1.00 0.00 C ATOM 967 C VAL A 61 -4.576 1.159 0.838 1.00 0.00 C ATOM 968 O VAL A 61 -4.893 2.205 1.406 1.00 0.00 O ATOM 969 CB VAL A 61 -2.270 0.857 -0.074 1.00 0.00 C ATOM 970 CG1 VAL A 61 -2.224 2.376 -0.270 1.00 0.00 C ATOM 971 CG2 VAL A 61 -0.863 0.340 0.244 1.00 0.00 C ATOM 0 H VAL A 61 -2.869 -1.468 0.486 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.804 0.912 2.013 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.633 0.384 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.552 2.616 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.224 2.744 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.863 2.850 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.192 0.582 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.500 0.811 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.895 -0.741 0.381 1.00 0.00 H new ATOM 981 N GLU A 62 -5.375 0.525 -0.013 1.00 0.00 N ATOM 982 CA GLU A 62 -6.701 1.046 -0.329 1.00 0.00 C ATOM 983 C GLU A 62 -7.632 0.917 0.873 1.00 0.00 C ATOM 984 O GLU A 62 -8.340 1.859 1.226 1.00 0.00 O ATOM 985 CB GLU A 62 -7.292 0.278 -1.511 1.00 0.00 C ATOM 986 CG GLU A 62 -6.385 0.436 -2.728 1.00 0.00 C ATOM 987 CD GLU A 62 -6.363 1.890 -3.185 1.00 0.00 C ATOM 988 OE1 GLU A 62 -7.270 2.616 -2.817 1.00 0.00 O ATOM 989 OE2 GLU A 62 -5.443 2.256 -3.899 1.00 0.00 O ATOM 0 H GLU A 62 -5.132 -0.342 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.603 2.100 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.396 -0.777 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.291 0.652 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.375 0.110 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.738 -0.202 -3.538 1.00 0.00 H new ATOM 996 N SER A 63 -7.633 -0.260 1.491 1.00 0.00 N ATOM 997 CA SER A 63 -8.492 -0.502 2.644 1.00 0.00 C ATOM 998 C SER A 63 -8.125 0.426 3.795 1.00 0.00 C ATOM 999 O SER A 63 -8.995 0.895 4.528 1.00 0.00 O ATOM 1000 CB SER A 63 -8.356 -1.957 3.094 1.00 0.00 C ATOM 1001 OG SER A 63 -7.278 -2.066 4.016 1.00 0.00 O ATOM 0 H SER A 63 -7.055 -1.054 1.216 1.00 0.00 H new ATOM 0 HA SER A 63 -9.524 -0.304 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.283 -2.294 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.179 -2.601 2.233 1.00 0.00 H new ATOM 0 HG SER A 63 -7.190 -2.998 4.307 1.00 0.00 H new ATOM 1007 N THR A 64 -6.831 0.683 3.952 1.00 0.00 N ATOM 1008 CA THR A 64 -6.358 1.556 5.018 1.00 0.00 C ATOM 1009 C THR A 64 -6.676 3.010 4.698 1.00 0.00 C ATOM 1010 O THR A 64 -7.524 3.627 5.344 1.00 0.00 O ATOM 1011 CB THR A 64 -4.851 1.388 5.203 1.00 0.00 C ATOM 1012 OG1 THR A 64 -4.538 0.006 5.296 1.00 0.00 O ATOM 1013 CG2 THR A 64 -4.410 2.097 6.484 1.00 0.00 C ATOM 0 H THR A 64 -6.095 0.301 3.358 1.00 0.00 H new ATOM 0 HA THR A 64 -6.867 1.280 5.941 1.00 0.00 H new ATOM 0 HB THR A 64 -4.330 1.824 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.189 -0.309 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.335 1.976 6.615 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.650 3.158 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.930 1.663 7.338 1.00 0.00 H new ATOM 1021 N LEU A 65 -5.990 3.557 3.696 1.00 0.00 N ATOM 1022 CA LEU A 65 -6.208 4.943 3.294 1.00 0.00 C ATOM 1023 C LEU A 65 -7.033 5.001 2.017 1.00 0.00 C ATOM 1024 O LEU A 65 -6.506 4.860 0.917 1.00 0.00 O ATOM 1025 CB LEU A 65 -4.858 5.630 3.062 1.00 0.00 C ATOM 1026 CG LEU A 65 -4.117 5.764 4.402 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -2.650 6.118 4.139 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -4.765 6.865 5.263 1.00 0.00 C ATOM 0 H LEU A 65 -5.283 3.064 3.151 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.750 5.457 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.259 5.051 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.010 6.614 2.618 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.178 4.816 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.123 6.213 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.187 5.331 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.595 7.062 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.230 6.949 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.717 7.816 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.807 6.610 5.457 1.00 0.00 H new ATOM 1040 N SER A 66 -8.330 5.231 2.175 1.00 0.00 N ATOM 1041 CA SER A 66 -9.227 5.334 1.029 1.00 0.00 C ATOM 1042 C SER A 66 -9.092 6.702 0.355 1.00 0.00 C ATOM 1043 O SER A 66 -9.001 6.798 -0.869 1.00 0.00 O ATOM 1044 CB SER A 66 -10.682 5.107 1.479 1.00 0.00 C ATOM 1045 OG SER A 66 -11.221 4.006 0.765 1.00 0.00 O ATOM 0 H SER A 66 -8.784 5.349 3.081 1.00 0.00 H new ATOM 0 HA SER A 66 -8.952 4.567 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.719 4.914 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.277 6.002 1.295 1.00 0.00 H new ATOM 0 HG SER A 66 -12.147 3.854 1.048 1.00 0.00 H new ATOM 1051 N PRO A 67 -9.103 7.751 1.135 1.00 0.00 N ATOM 1052 CA PRO A 67 -9.006 9.139 0.612 1.00 0.00 C ATOM 1053 C PRO A 67 -7.567 9.534 0.315 1.00 0.00 C ATOM 1054 O PRO A 67 -6.665 9.253 1.104 1.00 0.00 O ATOM 1055 CB PRO A 67 -9.597 9.994 1.745 1.00 0.00 C ATOM 1056 CG PRO A 67 -9.359 9.210 3.007 1.00 0.00 C ATOM 1057 CD PRO A 67 -9.205 7.737 2.607 1.00 0.00 C ATOM 0 HA PRO A 67 -9.532 9.264 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.114 10.970 1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.661 10.172 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.464 9.565 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.191 9.335 3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.317 7.295 3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.059 7.146 2.938 1.00 0.00 H new ATOM 1065 N CYS A 68 -7.361 10.205 -0.816 1.00 0.00 N ATOM 1066 CA CYS A 68 -6.019 10.656 -1.193 1.00 0.00 C ATOM 1067 C CYS A 68 -6.052 12.112 -1.646 1.00 0.00 C ATOM 1068 O CYS A 68 -5.157 12.892 -1.316 1.00 0.00 O ATOM 1069 CB CYS A 68 -5.491 9.777 -2.329 1.00 0.00 C ATOM 1070 SG CYS A 68 -5.891 8.045 -1.986 1.00 0.00 S ATOM 0 H CYS A 68 -8.095 10.447 -1.482 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.362 10.576 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.934 10.083 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.412 9.900 -2.427 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.445 7.297 -2.951 1.00 0.00 H new ATOM 1076 N LYS A 69 -7.087 12.473 -2.396 1.00 0.00 N ATOM 1077 CA LYS A 69 -7.230 13.840 -2.881 1.00 0.00 C ATOM 1078 C LYS A 69 -7.569 14.788 -1.736 1.00 0.00 C ATOM 1079 O LYS A 69 -7.549 16.008 -1.902 1.00 0.00 O ATOM 1080 CB LYS A 69 -8.319 13.911 -3.950 1.00 0.00 C ATOM 1081 CG LYS A 69 -7.858 13.163 -5.203 1.00 0.00 C ATOM 1082 CD LYS A 69 -8.945 13.248 -6.278 1.00 0.00 C ATOM 1083 CE LYS A 69 -8.475 12.517 -7.538 1.00 0.00 C ATOM 1084 NZ LYS A 69 -9.544 12.578 -8.574 1.00 0.00 N ATOM 0 H LYS A 69 -7.836 11.841 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.279 14.146 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.243 13.473 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.536 14.951 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.929 13.594 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.651 12.120 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.870 12.804 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.162 14.291 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.560 12.973 -7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.240 11.479 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.226 12.082 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.406 12.124 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.747 13.571 -8.805 1.00 0.00 H new ATOM 1098 N GLU A 70 -7.898 14.217 -0.584 1.00 0.00 N ATOM 1099 CA GLU A 70 -8.260 15.021 0.578 1.00 0.00 C ATOM 1100 C GLU A 70 -7.034 15.704 1.161 1.00 0.00 C ATOM 1101 O GLU A 70 -7.098 16.857 1.581 1.00 0.00 O ATOM 1102 CB GLU A 70 -8.909 14.136 1.646 1.00 0.00 C ATOM 1103 CG GLU A 70 -10.277 13.661 1.158 1.00 0.00 C ATOM 1104 CD GLU A 70 -10.918 12.756 2.205 1.00 0.00 C ATOM 1105 OE1 GLU A 70 -10.278 12.502 3.212 1.00 0.00 O ATOM 1106 OE2 GLU A 70 -12.042 12.333 1.987 1.00 0.00 O ATOM 0 H GLU A 70 -7.922 13.209 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.969 15.785 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.270 13.279 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.017 14.693 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.921 14.519 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.170 13.123 0.216 1.00 0.00 H new ATOM 1113 N HIS A 71 -5.912 14.990 1.180 1.00 0.00 N ATOM 1114 CA HIS A 71 -4.670 15.546 1.715 1.00 0.00 C ATOM 1115 C HIS A 71 -3.746 15.971 0.582 1.00 0.00 C ATOM 1116 O HIS A 71 -3.153 15.135 -0.090 1.00 0.00 O ATOM 1117 CB HIS A 71 -3.967 14.501 2.581 1.00 0.00 C ATOM 1118 CG HIS A 71 -4.816 14.193 3.782 1.00 0.00 C ATOM 1119 ND1 HIS A 71 -5.072 12.896 4.195 1.00 0.00 N ATOM 1120 CD2 HIS A 71 -5.474 15.006 4.671 1.00 0.00 C ATOM 1121 CE1 HIS A 71 -5.854 12.963 5.288 1.00 0.00 C ATOM 1122 NE2 HIS A 71 -6.131 14.227 5.622 1.00 0.00 N ATOM 0 H HIS A 71 -5.835 14.033 0.835 1.00 0.00 H new ATOM 0 HA HIS A 71 -4.912 16.420 2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.792 13.593 2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.992 14.871 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.482 16.085 4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.214 12.101 5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.700 14.552 6.404 1.00 0.00 H new ATOM 1130 N ASP A 72 -3.635 17.276 0.374 1.00 0.00 N ATOM 1131 CA ASP A 72 -2.781 17.799 -0.688 1.00 0.00 C ATOM 1132 C ASP A 72 -1.324 17.439 -0.419 1.00 0.00 C ATOM 1133 O ASP A 72 -0.571 17.139 -1.345 1.00 0.00 O ATOM 1134 CB ASP A 72 -2.932 19.328 -0.767 1.00 0.00 C ATOM 1135 CG ASP A 72 -4.176 19.701 -1.574 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -4.658 18.863 -2.315 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -4.631 20.822 -1.431 1.00 0.00 O ATOM 0 H ASP A 72 -4.120 17.988 0.920 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.084 17.355 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.004 19.745 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.047 19.764 -1.230 1.00 0.00 H new ATOM 1142 N VAL A 73 -0.932 17.483 0.848 1.00 0.00 N ATOM 1143 CA VAL A 73 0.441 17.170 1.220 1.00 0.00 C ATOM 1144 C VAL A 73 0.782 15.734 0.832 1.00 0.00 C ATOM 1145 O VAL A 73 1.834 15.474 0.251 1.00 0.00 O ATOM 1146 CB VAL A 73 0.628 17.348 2.730 1.00 0.00 C ATOM 1147 CG1 VAL A 73 2.021 16.870 3.137 1.00 0.00 C ATOM 1148 CG2 VAL A 73 0.472 18.827 3.088 1.00 0.00 C ATOM 0 H VAL A 73 -1.540 17.730 1.629 1.00 0.00 H new ATOM 0 HA VAL A 73 1.107 17.850 0.689 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.122 16.761 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.150 16.998 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.133 15.816 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.775 17.454 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.604 18.957 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.223 19.411 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.523 19.168 2.801 1.00 0.00 H new ATOM 1158 N ILE A 74 -0.113 14.807 1.155 1.00 0.00 N ATOM 1159 CA ILE A 74 0.103 13.398 0.836 1.00 0.00 C ATOM 1160 C ILE A 74 -0.499 13.060 -0.521 1.00 0.00 C ATOM 1161 O ILE A 74 -0.221 12.002 -1.084 1.00 0.00 O ATOM 1162 CB ILE A 74 -0.529 12.517 1.913 1.00 0.00 C ATOM 1163 CG1 ILE A 74 0.181 12.757 3.247 1.00 0.00 C ATOM 1164 CG2 ILE A 74 -0.381 11.046 1.518 1.00 0.00 C ATOM 1165 CD1 ILE A 74 -0.627 12.117 4.376 1.00 0.00 C ATOM 0 H ILE A 74 -0.991 15.003 1.635 1.00 0.00 H new ATOM 0 HA ILE A 74 1.176 13.212 0.800 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.586 12.764 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.185 12.333 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.291 13.827 3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.831 10.416 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.883 10.873 0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.676 10.800 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.122 12.287 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.622 12.561 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.714 11.045 4.199 1.00 0.00 H new ATOM 1177 N GLY A 75 -1.332 13.963 -1.038 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.978 13.751 -2.329 1.00 0.00 C ATOM 1179 C GLY A 75 -0.945 13.447 -3.405 1.00 0.00 C ATOM 1180 O GLY A 75 0.164 13.019 -3.102 1.00 0.00 O ATOM 0 H GLY A 75 -1.573 14.844 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.687 12.926 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.548 14.638 -2.606 1.00 0.00 H new ATOM 1184 N THR A 76 -1.311 13.670 -4.659 1.00 0.00 N ATOM 1185 CA THR A 76 -0.406 13.413 -5.780 1.00 0.00 C ATOM 1186 C THR A 76 -0.184 11.909 -5.957 1.00 0.00 C ATOM 1187 O THR A 76 -0.066 11.407 -7.086 1.00 0.00 O ATOM 1188 CB THR A 76 0.939 14.110 -5.531 1.00 0.00 C ATOM 1189 OG1 THR A 76 1.763 13.275 -4.728 1.00 0.00 O ATOM 1190 CG2 THR A 76 0.711 15.452 -4.807 1.00 0.00 C ATOM 0 H THR A 76 -2.227 14.028 -4.930 1.00 0.00 H new ATOM 0 HA THR A 76 -0.857 13.808 -6.690 1.00 0.00 H new ATOM 0 HB THR A 76 1.426 14.298 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.383 13.209 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.670 15.940 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.082 16.095 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.219 15.271 -3.851 1.00 0.00 H new ATOM 1198 N LYS A 77 -0.144 11.193 -4.839 1.00 0.00 N ATOM 1199 CA LYS A 77 0.051 9.757 -4.877 1.00 0.00 C ATOM 1200 C LYS A 77 -1.109 9.085 -5.600 1.00 0.00 C ATOM 1201 O LYS A 77 -0.989 7.953 -6.062 1.00 0.00 O ATOM 1202 CB LYS A 77 0.176 9.203 -3.459 1.00 0.00 C ATOM 1203 CG LYS A 77 -1.157 9.352 -2.722 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.032 8.771 -1.317 1.00 0.00 C ATOM 1205 CE LYS A 77 -2.366 8.937 -0.584 1.00 0.00 C ATOM 1206 NZ LYS A 77 -3.333 7.921 -1.083 1.00 0.00 N ATOM 0 H LYS A 77 -0.244 11.585 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 77 0.972 9.546 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.467 8.153 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.961 9.733 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.439 10.404 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.947 8.838 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.761 7.717 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.237 9.278 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.221 8.820 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.760 9.940 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.223 7.999 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.518 8.084 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.934 6.969 -0.954 1.00 0.00 H new ATOM 1220 N VAL A 78 -2.231 9.785 -5.681 1.00 0.00 N ATOM 1221 CA VAL A 78 -3.408 9.243 -6.344 1.00 0.00 C ATOM 1222 C VAL A 78 -3.138 9.058 -7.835 1.00 0.00 C ATOM 1223 O VAL A 78 -3.443 8.016 -8.410 1.00 0.00 O ATOM 1224 CB VAL A 78 -4.600 10.183 -6.150 1.00 0.00 C ATOM 1225 CG1 VAL A 78 -4.362 11.488 -6.913 1.00 0.00 C ATOM 1226 CG2 VAL A 78 -5.875 9.513 -6.667 1.00 0.00 C ATOM 0 H VAL A 78 -2.351 10.723 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.639 8.274 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.712 10.403 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.214 12.153 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.459 11.970 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.243 11.272 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.722 10.185 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.763 9.286 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.050 8.589 -6.115 1.00 0.00 H new ATOM 1236 N CYS A 79 -2.550 10.080 -8.451 1.00 0.00 N ATOM 1237 CA CYS A 79 -2.231 10.020 -9.870 1.00 0.00 C ATOM 1238 C CYS A 79 -1.119 9.012 -10.123 1.00 0.00 C ATOM 1239 O CYS A 79 -1.206 8.180 -11.033 1.00 0.00 O ATOM 1240 CB CYS A 79 -1.806 11.407 -10.373 1.00 0.00 C ATOM 1241 SG CYS A 79 -2.293 11.599 -12.107 1.00 0.00 S ATOM 0 H CYS A 79 -2.287 10.952 -7.992 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.121 9.701 -10.413 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.271 12.184 -9.766 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.727 11.527 -10.272 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.935 12.775 -12.531 1.00 0.00 H new ATOM 1247 N ALA A 80 -0.066 9.097 -9.310 1.00 0.00 N ATOM 1248 CA ALA A 80 1.065 8.184 -9.463 1.00 0.00 C ATOM 1249 C ALA A 80 0.620 6.743 -9.243 1.00 0.00 C ATOM 1250 O ALA A 80 1.053 5.830 -9.951 1.00 0.00 O ATOM 1251 CB ALA A 80 2.160 8.543 -8.457 1.00 0.00 C ATOM 0 H ALA A 80 0.027 9.775 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 80 1.456 8.280 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.001 7.860 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.495 9.565 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.765 8.461 -7.444 1.00 0.00 H new ATOM 1257 N LEU A 81 -0.245 6.543 -8.258 1.00 0.00 N ATOM 1258 CA LEU A 81 -0.742 5.213 -7.952 1.00 0.00 C ATOM 1259 C LEU A 81 -1.528 4.652 -9.130 1.00 0.00 C ATOM 1260 O LEU A 81 -1.382 3.483 -9.485 1.00 0.00 O ATOM 1261 CB LEU A 81 -1.635 5.253 -6.705 1.00 0.00 C ATOM 1262 CG LEU A 81 -2.190 3.852 -6.412 1.00 0.00 C ATOM 1263 CD1 LEU A 81 -1.033 2.858 -6.243 1.00 0.00 C ATOM 1264 CD2 LEU A 81 -3.023 3.895 -5.130 1.00 0.00 C ATOM 0 H LEU A 81 -0.614 7.283 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 81 0.113 4.565 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.063 5.613 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.456 5.954 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.817 3.530 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.433 1.866 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.443 2.827 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.400 3.174 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.418 2.901 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.396 4.219 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.849 4.595 -5.256 1.00 0.00 H new ATOM 1276 N LEU A 82 -2.365 5.490 -9.726 1.00 0.00 N ATOM 1277 CA LEU A 82 -3.170 5.061 -10.865 1.00 0.00 C ATOM 1278 C LEU A 82 -2.275 4.663 -12.031 1.00 0.00 C ATOM 1279 O LEU A 82 -2.522 3.654 -12.701 1.00 0.00 O ATOM 1280 CB LEU A 82 -4.099 6.198 -11.293 1.00 0.00 C ATOM 1281 CG LEU A 82 -5.203 6.387 -10.243 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -5.869 7.752 -10.442 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -6.262 5.280 -10.381 1.00 0.00 C ATOM 0 H LEU A 82 -2.505 6.461 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.763 4.196 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.531 7.121 -11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.541 5.973 -12.264 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.758 6.334 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.653 7.886 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.124 8.540 -10.331 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.305 7.802 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.040 5.425 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.705 5.322 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.793 4.307 -10.234 1.00 0.00 H new ATOM 1295 N ASP A 83 -1.233 5.453 -12.261 1.00 0.00 N ATOM 1296 CA ASP A 83 -0.303 5.169 -13.349 1.00 0.00 C ATOM 1297 C ASP A 83 0.370 3.818 -13.130 1.00 0.00 C ATOM 1298 O ASP A 83 0.496 3.017 -14.059 1.00 0.00 O ATOM 1299 CB ASP A 83 0.759 6.266 -13.424 1.00 0.00 C ATOM 1300 CG ASP A 83 0.143 7.551 -13.968 1.00 0.00 C ATOM 1301 OD1 ASP A 83 -0.932 7.476 -14.538 1.00 0.00 O ATOM 1302 OD2 ASP A 83 0.754 8.595 -13.800 1.00 0.00 O ATOM 0 H ASP A 83 -1.011 6.286 -11.716 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.859 5.140 -14.286 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.180 6.445 -12.434 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.580 5.946 -14.066 1.00 0.00 H new ATOM 1307 N ARG A 84 0.791 3.564 -11.895 1.00 0.00 N ATOM 1308 CA ARG A 84 1.435 2.300 -11.561 1.00 0.00 C ATOM 1309 C ARG A 84 0.430 1.154 -11.641 1.00 0.00 C ATOM 1310 O ARG A 84 0.761 0.048 -12.055 1.00 0.00 O ATOM 1311 CB ARG A 84 2.029 2.364 -10.153 1.00 0.00 C ATOM 1312 CG ARG A 84 3.250 3.286 -10.161 1.00 0.00 C ATOM 1313 CD ARG A 84 3.833 3.370 -8.750 1.00 0.00 C ATOM 1314 NE ARG A 84 5.006 4.237 -8.738 1.00 0.00 N ATOM 1315 CZ ARG A 84 5.833 4.259 -7.699 1.00 0.00 C ATOM 1316 NH1 ARG A 84 5.602 3.498 -6.664 1.00 0.00 N ATOM 1317 NH2 ARG A 84 6.876 5.044 -7.713 1.00 0.00 N ATOM 0 H ARG A 84 0.698 4.213 -11.114 1.00 0.00 H new ATOM 0 HA ARG A 84 2.235 2.122 -12.279 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.284 2.734 -9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.315 1.366 -9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.001 2.907 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.967 4.279 -10.509 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.081 3.754 -8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.105 2.374 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 84 5.194 4.837 -9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.786 2.886 -6.653 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.237 3.515 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.055 5.640 -8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.512 5.062 -6.916 1.00 0.00 H new ATOM 1331 N LEU A 85 -0.801 1.427 -11.240 1.00 0.00 N ATOM 1332 CA LEU A 85 -1.836 0.407 -11.265 1.00 0.00 C ATOM 1333 C LEU A 85 -2.047 -0.107 -12.685 1.00 0.00 C ATOM 1334 O LEU A 85 -2.183 -1.311 -12.904 1.00 0.00 O ATOM 1335 CB LEU A 85 -3.146 0.993 -10.732 1.00 0.00 C ATOM 1336 CG LEU A 85 -4.279 -0.057 -10.864 1.00 0.00 C ATOM 1337 CD1 LEU A 85 -5.159 -0.032 -9.610 1.00 0.00 C ATOM 1338 CD2 LEU A 85 -5.144 0.262 -12.093 1.00 0.00 C ATOM 0 H LEU A 85 -1.106 2.338 -10.896 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.522 -0.425 -10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.027 1.285 -9.689 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.405 1.894 -11.288 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.833 -1.045 -10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.953 -0.772 -9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.552 -0.265 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.598 0.959 -9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.939 -0.479 -12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.583 1.253 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.525 0.238 -12.990 1.00 0.00 H new ATOM 1350 N ALA A 86 -2.071 0.810 -13.644 1.00 0.00 N ATOM 1351 CA ALA A 86 -2.261 0.435 -15.042 1.00 0.00 C ATOM 1352 C ALA A 86 -0.936 0.012 -15.663 1.00 0.00 C ATOM 1353 O ALA A 86 -0.903 -0.571 -16.744 1.00 0.00 O ATOM 1354 CB ALA A 86 -2.836 1.613 -15.825 1.00 0.00 C ATOM 0 H ALA A 86 -1.962 1.811 -13.483 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.957 -0.403 -15.083 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.975 1.324 -16.867 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.797 1.900 -15.397 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.148 2.457 -15.771 1.00 0.00 H new ATOM 1360 N GLY A 87 0.160 0.306 -14.965 1.00 0.00 N ATOM 1361 CA GLY A 87 1.489 -0.048 -15.459 1.00 0.00 C ATOM 1362 C GLY A 87 2.441 -0.310 -14.304 1.00 0.00 C ATOM 1363 O GLY A 87 3.446 0.382 -14.151 1.00 0.00 O ATOM 0 H GLY A 87 0.155 0.784 -14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.423 -0.934 -16.090 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.878 0.758 -16.081 1.00 0.00 H new ATOM 1367 N ASP A 88 2.117 -1.314 -13.491 1.00 0.00 N ATOM 1368 CA ASP A 88 2.957 -1.666 -12.344 1.00 0.00 C ATOM 1369 C ASP A 88 4.432 -1.540 -12.704 1.00 0.00 C ATOM 1370 O ASP A 88 5.035 -2.473 -13.234 1.00 0.00 O ATOM 1371 CB ASP A 88 2.663 -3.099 -11.899 1.00 0.00 C ATOM 1372 CG ASP A 88 1.286 -3.170 -11.248 1.00 0.00 C ATOM 1373 OD1 ASP A 88 0.695 -2.123 -11.045 1.00 0.00 O ATOM 1374 OD2 ASP A 88 0.843 -4.270 -10.962 1.00 0.00 O ATOM 0 H ASP A 88 1.286 -1.895 -13.602 1.00 0.00 H new ATOM 0 HA ASP A 88 2.731 -0.979 -11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.704 -3.771 -12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.425 -3.434 -11.195 1.00 0.00 H new ATOM 1379 N TYR A 89 5.010 -0.375 -12.412 1.00 0.00 N ATOM 1380 CA TYR A 89 6.417 -0.131 -12.719 1.00 0.00 C ATOM 1381 C TYR A 89 7.287 -0.431 -11.500 1.00 0.00 C ATOM 1382 O TYR A 89 7.936 0.451 -10.946 1.00 0.00 O ATOM 1383 CB TYR A 89 6.608 1.336 -13.164 1.00 0.00 C ATOM 1384 CG TYR A 89 7.582 1.400 -14.321 1.00 0.00 C ATOM 1385 CD1 TYR A 89 8.734 0.597 -14.308 1.00 0.00 C ATOM 1386 CD2 TYR A 89 7.327 2.242 -15.399 1.00 0.00 C ATOM 1387 CE1 TYR A 89 9.625 0.645 -15.377 1.00 0.00 C ATOM 1388 CE2 TYR A 89 8.222 2.291 -16.471 1.00 0.00 C ATOM 1389 CZ TYR A 89 9.372 1.492 -16.459 1.00 0.00 C ATOM 1390 OH TYR A 89 10.256 1.542 -17.517 1.00 0.00 O ATOM 0 H TYR A 89 4.530 0.407 -11.967 1.00 0.00 H new ATOM 0 HA TYR A 89 6.721 -0.792 -13.531 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.650 1.763 -13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.980 1.933 -12.331 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.929 -0.057 -13.470 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.439 2.857 -15.407 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.511 0.028 -15.370 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.027 2.945 -17.308 1.00 0.00 H new ATOM 0 HH TYR A 89 9.930 2.180 -18.186 1.00 0.00 H new ATOM 1400 N VAL A 90 7.294 -1.680 -11.086 1.00 0.00 N ATOM 1401 CA VAL A 90 8.086 -2.081 -9.928 1.00 0.00 C ATOM 1402 C VAL A 90 8.518 -3.530 -10.050 1.00 0.00 C ATOM 1403 O VAL A 90 7.727 -4.390 -10.436 1.00 0.00 O ATOM 1404 CB VAL A 90 7.265 -1.889 -8.652 1.00 0.00 C ATOM 1405 CG1 VAL A 90 8.068 -2.376 -7.447 1.00 0.00 C ATOM 1406 CG2 VAL A 90 6.935 -0.404 -8.474 1.00 0.00 C ATOM 0 H VAL A 90 6.767 -2.435 -11.525 1.00 0.00 H new ATOM 0 HA VAL A 90 8.979 -1.458 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 90 6.341 -2.462 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.481 -2.238 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.304 -3.433 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.993 -1.805 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.350 -0.268 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.860 0.168 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.360 -0.054 -9.331 1.00 0.00 H new ATOM 1416 N TYR A 91 9.771 -3.807 -9.695 1.00 0.00 N ATOM 1417 CA TYR A 91 10.287 -5.172 -9.750 1.00 0.00 C ATOM 1418 C TYR A 91 11.029 -5.506 -8.464 1.00 0.00 C ATOM 1419 O TYR A 91 11.874 -4.734 -7.997 1.00 0.00 O ATOM 1420 CB TYR A 91 11.237 -5.325 -10.937 1.00 0.00 C ATOM 1421 CG TYR A 91 10.667 -4.593 -12.132 1.00 0.00 C ATOM 1422 CD1 TYR A 91 9.383 -4.908 -12.598 1.00 0.00 C ATOM 1423 CD2 TYR A 91 11.421 -3.600 -12.771 1.00 0.00 C ATOM 1424 CE1 TYR A 91 8.855 -4.233 -13.703 1.00 0.00 C ATOM 1425 CE2 TYR A 91 10.890 -2.924 -13.875 1.00 0.00 C ATOM 1426 CZ TYR A 91 9.607 -3.240 -14.342 1.00 0.00 C ATOM 1427 OH TYR A 91 9.086 -2.571 -15.430 1.00 0.00 O ATOM 0 H TYR A 91 10.442 -3.111 -9.369 1.00 0.00 H new ATOM 0 HA TYR A 91 9.446 -5.856 -9.868 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.219 -4.925 -10.685 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.374 -6.380 -11.174 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.802 -5.672 -12.104 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.410 -3.357 -12.412 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.867 -4.478 -14.064 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.470 -2.158 -14.368 1.00 0.00 H new ATOM 0 HH TYR A 91 9.168 -1.605 -15.290 1.00 0.00 H new ATOM 1437 N LEU A 92 10.718 -6.666 -7.899 1.00 0.00 N ATOM 1438 CA LEU A 92 11.365 -7.113 -6.675 1.00 0.00 C ATOM 1439 C LEU A 92 12.398 -8.183 -6.973 1.00 0.00 C ATOM 1440 O LEU A 92 12.147 -9.103 -7.751 1.00 0.00 O ATOM 1441 CB LEU A 92 10.325 -7.649 -5.692 1.00 0.00 C ATOM 1442 CG LEU A 92 11.036 -8.303 -4.474 1.00 0.00 C ATOM 1443 CD1 LEU A 92 10.301 -7.942 -3.180 1.00 0.00 C ATOM 1444 CD2 LEU A 92 11.051 -9.831 -4.643 1.00 0.00 C ATOM 0 H LEU A 92 10.022 -7.313 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 92 11.872 -6.259 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.679 -6.838 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.687 -8.381 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 92 12.059 -7.931 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.807 -8.405 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.298 -6.859 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.274 -8.304 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.550 -10.287 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.027 -10.200 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.586 -10.091 -5.556 1.00 0.00 H new ATOM 1456 N PHE A 93 13.559 -8.065 -6.334 1.00 0.00 N ATOM 1457 CA PHE A 93 14.626 -9.052 -6.533 1.00 0.00 C ATOM 1458 C PHE A 93 15.590 -9.052 -5.355 1.00 0.00 C ATOM 1459 O PHE A 93 15.807 -8.021 -4.725 1.00 0.00 O ATOM 1460 CB PHE A 93 15.385 -8.747 -7.826 1.00 0.00 C ATOM 1461 CG PHE A 93 15.970 -7.361 -7.743 1.00 0.00 C ATOM 1462 CD1 PHE A 93 15.194 -6.254 -8.098 1.00 0.00 C ATOM 1463 CD2 PHE A 93 17.287 -7.179 -7.305 1.00 0.00 C ATOM 1464 CE1 PHE A 93 15.735 -4.968 -8.019 1.00 0.00 C ATOM 1465 CE2 PHE A 93 17.829 -5.892 -7.228 1.00 0.00 C ATOM 1466 CZ PHE A 93 17.053 -4.785 -7.584 1.00 0.00 C ATOM 0 H PHE A 93 13.787 -7.312 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 93 14.171 -10.040 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 93 16.177 -9.480 -7.978 1.00 0.00 H new ATOM 0 HB3 PHE A 93 14.714 -8.821 -8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.177 -6.392 -8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 93 17.885 -8.034 -7.026 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.135 -4.113 -8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 93 18.847 -5.753 -6.894 1.00 0.00 H new ATOM 0 HZ PHE A 93 17.470 -3.790 -7.524 1.00 0.00 H new ATOM 1476 N ASP A 94 16.170 -10.215 -5.063 1.00 0.00 N ATOM 1477 CA ASP A 94 17.114 -10.334 -3.952 1.00 0.00 C ATOM 1478 C ASP A 94 18.540 -10.101 -4.437 1.00 0.00 C ATOM 1479 O ASP A 94 18.757 -9.589 -5.534 1.00 0.00 O ATOM 1480 CB ASP A 94 17.009 -11.723 -3.324 1.00 0.00 C ATOM 1481 CG ASP A 94 17.490 -12.780 -4.311 1.00 0.00 C ATOM 1482 OD1 ASP A 94 17.751 -12.426 -5.449 1.00 0.00 O ATOM 1483 OD2 ASP A 94 17.598 -13.928 -3.911 1.00 0.00 O ATOM 0 H ASP A 94 16.005 -11.082 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 94 16.866 -9.579 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 94 17.607 -11.765 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.977 -11.924 -3.037 1.00 0.00 H new ATOM 1488 N GLU A 95 19.509 -10.479 -3.613 1.00 0.00 N ATOM 1489 CA GLU A 95 20.912 -10.305 -3.972 1.00 0.00 C ATOM 1490 C GLU A 95 21.230 -11.049 -5.265 1.00 0.00 C ATOM 1491 O GLU A 95 21.968 -10.548 -6.115 1.00 0.00 O ATOM 1492 CB GLU A 95 21.804 -10.832 -2.844 1.00 0.00 C ATOM 1493 CG GLU A 95 21.595 -9.985 -1.586 1.00 0.00 C ATOM 1494 CD GLU A 95 22.133 -8.576 -1.810 1.00 0.00 C ATOM 1495 OE1 GLU A 95 23.306 -8.364 -1.549 1.00 0.00 O ATOM 1496 OE2 GLU A 95 21.366 -7.730 -2.238 1.00 0.00 O ATOM 0 H GLU A 95 19.352 -10.904 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 95 21.103 -9.242 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.566 -11.875 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 95 22.850 -10.798 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.534 -9.943 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 95 22.102 -10.446 -0.739 1.00 0.00 H new ATOM 1503 N GLY A 96 20.663 -12.242 -5.408 1.00 0.00 N ATOM 1504 CA GLY A 96 20.892 -13.046 -6.605 1.00 0.00 C ATOM 1505 C GLY A 96 20.497 -12.272 -7.855 1.00 0.00 C ATOM 1506 O GLY A 96 21.131 -12.400 -8.901 1.00 0.00 O ATOM 0 H GLY A 96 20.047 -12.671 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.943 -13.330 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.316 -13.969 -6.545 1.00 0.00 H new ATOM 1510 N GLY A 97 19.453 -11.456 -7.741 1.00 0.00 N ATOM 1511 CA GLY A 97 18.985 -10.654 -8.869 1.00 0.00 C ATOM 1512 C GLY A 97 17.788 -11.310 -9.543 1.00 0.00 C ATOM 1513 O GLY A 97 17.073 -10.672 -10.315 1.00 0.00 O ATOM 0 H GLY A 97 18.916 -11.332 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.711 -9.657 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.792 -10.530 -9.592 1.00 0.00 H new ATOM 1517 N ASP A 98 17.571 -12.588 -9.246 1.00 0.00 N ATOM 1518 CA ASP A 98 16.453 -13.321 -9.833 1.00 0.00 C ATOM 1519 C ASP A 98 15.204 -13.153 -8.976 1.00 0.00 C ATOM 1520 O ASP A 98 15.160 -13.618 -7.838 1.00 0.00 O ATOM 1521 CB ASP A 98 16.801 -14.808 -9.941 1.00 0.00 C ATOM 1522 CG ASP A 98 15.774 -15.520 -10.810 1.00 0.00 C ATOM 1523 OD1 ASP A 98 14.694 -14.978 -10.982 1.00 0.00 O ATOM 1524 OD2 ASP A 98 16.079 -16.598 -11.293 1.00 0.00 O ATOM 0 H ASP A 98 18.149 -13.134 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 98 16.260 -12.921 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 98 17.797 -14.927 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 98 16.824 -15.258 -8.948 1.00 0.00 H new ATOM 1529 N GLU A 99 14.196 -12.484 -9.530 1.00 0.00 N ATOM 1530 CA GLU A 99 12.948 -12.260 -8.803 1.00 0.00 C ATOM 1531 C GLU A 99 12.523 -13.523 -8.062 1.00 0.00 C ATOM 1532 O GLU A 99 11.789 -14.352 -8.595 1.00 0.00 O ATOM 1533 CB GLU A 99 11.846 -11.838 -9.782 1.00 0.00 C ATOM 1534 CG GLU A 99 11.961 -12.664 -11.066 1.00 0.00 C ATOM 1535 CD GLU A 99 10.778 -12.369 -11.981 1.00 0.00 C ATOM 1536 OE1 GLU A 99 9.687 -12.191 -11.464 1.00 0.00 O ATOM 1537 OE2 GLU A 99 10.981 -12.324 -13.181 1.00 0.00 O ATOM 0 H GLU A 99 14.217 -12.091 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 99 13.109 -11.467 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.866 -11.985 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.935 -10.776 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.895 -12.429 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.989 -13.726 -10.824 1.00 0.00 H new ATOM 1544 N VAL A 100 12.994 -13.667 -6.830 1.00 0.00 N ATOM 1545 CA VAL A 100 12.664 -14.837 -6.023 1.00 0.00 C ATOM 1546 C VAL A 100 12.509 -14.456 -4.554 1.00 0.00 C ATOM 1547 O VAL A 100 13.257 -13.630 -4.036 1.00 0.00 O ATOM 1548 CB VAL A 100 13.768 -15.890 -6.171 1.00 0.00 C ATOM 1549 CG1 VAL A 100 15.019 -15.438 -5.412 1.00 0.00 C ATOM 1550 CG2 VAL A 100 13.275 -17.221 -5.595 1.00 0.00 C ATOM 0 H VAL A 100 13.603 -12.992 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 100 11.717 -15.246 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 100 14.013 -16.013 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.801 -16.189 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.369 -14.489 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.779 -15.313 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.057 -17.974 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.031 -17.093 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.386 -17.545 -6.136 1.00 0.00 H new ATOM 1560 N ILE A 101 11.538 -15.073 -3.890 1.00 0.00 N ATOM 1561 CA ILE A 101 11.300 -14.788 -2.482 1.00 0.00 C ATOM 1562 C ILE A 101 12.468 -15.284 -1.642 1.00 0.00 C ATOM 1563 O ILE A 101 12.877 -16.441 -1.745 1.00 0.00 O ATOM 1564 CB ILE A 101 10.015 -15.482 -2.024 1.00 0.00 C ATOM 1565 CG1 ILE A 101 8.917 -15.250 -3.065 1.00 0.00 C ATOM 1566 CG2 ILE A 101 9.571 -14.900 -0.678 1.00 0.00 C ATOM 1567 CD1 ILE A 101 8.796 -13.753 -3.374 1.00 0.00 C ATOM 0 H ILE A 101 10.910 -15.765 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 101 11.199 -13.710 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 101 10.197 -16.551 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.147 -15.801 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.966 -15.631 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 101 8.656 -15.394 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.354 -15.060 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.387 -13.831 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.013 -13.597 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.545 -13.212 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.744 -13.384 -3.765 1.00 0.00 H new ATOM 1579 N ALA A 102 13.008 -14.393 -0.814 1.00 0.00 N ATOM 1580 CA ALA A 102 14.139 -14.750 0.039 1.00 0.00 C ATOM 1581 C ALA A 102 14.158 -13.880 1.298 1.00 0.00 C ATOM 1582 O ALA A 102 13.433 -12.890 1.394 1.00 0.00 O ATOM 1583 CB ALA A 102 15.458 -14.575 -0.752 1.00 0.00 C ATOM 0 H ALA A 102 12.686 -13.430 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 102 14.037 -15.791 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 102 16.302 -14.841 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 102 15.445 -15.223 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 102 15.557 -13.537 -1.070 1.00 0.00 H new ATOM 1589 N PRO A 103 14.991 -14.228 2.248 1.00 0.00 N ATOM 1590 CA PRO A 103 15.123 -13.459 3.514 1.00 0.00 C ATOM 1591 C PRO A 103 15.202 -11.954 3.270 1.00 0.00 C ATOM 1592 O PRO A 103 14.581 -11.172 3.986 1.00 0.00 O ATOM 1593 CB PRO A 103 16.444 -13.977 4.108 1.00 0.00 C ATOM 1594 CG PRO A 103 16.588 -15.373 3.585 1.00 0.00 C ATOM 1595 CD PRO A 103 15.891 -15.401 2.226 1.00 0.00 C ATOM 0 HA PRO A 103 14.262 -13.597 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.284 -13.353 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.417 -13.965 5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.639 -15.644 3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.135 -16.092 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 103 16.610 -15.334 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 103 15.333 -16.327 2.085 1.00 0.00 H new ATOM 1603 N ARG A 104 15.969 -11.555 2.261 1.00 0.00 N ATOM 1604 CA ARG A 104 16.118 -10.135 1.935 1.00 0.00 C ATOM 1605 C ARG A 104 15.225 -9.770 0.766 1.00 0.00 C ATOM 1606 O ARG A 104 15.304 -10.377 -0.301 1.00 0.00 O ATOM 1607 CB ARG A 104 17.571 -9.847 1.578 1.00 0.00 C ATOM 1608 CG ARG A 104 18.447 -10.015 2.834 1.00 0.00 C ATOM 1609 CD ARG A 104 19.871 -10.376 2.425 1.00 0.00 C ATOM 1610 NE ARG A 104 20.494 -9.266 1.708 1.00 0.00 N ATOM 1611 CZ ARG A 104 21.104 -8.280 2.358 1.00 0.00 C ATOM 1612 NH1 ARG A 104 21.153 -8.295 3.661 1.00 0.00 N ATOM 1613 NH2 ARG A 104 21.651 -7.299 1.696 1.00 0.00 N ATOM 0 H ARG A 104 16.495 -12.187 1.657 1.00 0.00 H new ATOM 0 HA ARG A 104 15.828 -9.539 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.906 -10.526 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 104 17.667 -8.834 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 104 18.448 -9.092 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 104 18.034 -10.794 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 104 20.459 -10.621 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 104 19.860 -11.264 1.793 1.00 0.00 H new ATOM 0 HE ARG A 104 20.460 -9.247 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 104 20.724 -9.062 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 104 21.620 -7.540 4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 104 21.611 -7.287 0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 104 22.118 -6.544 2.197 1.00 0.00 H new ATOM 1627 N MET A 105 14.361 -8.779 0.972 1.00 0.00 N ATOM 1628 CA MET A 105 13.438 -8.335 -0.076 1.00 0.00 C ATOM 1629 C MET A 105 13.758 -6.909 -0.499 1.00 0.00 C ATOM 1630 O MET A 105 14.113 -6.066 0.324 1.00 0.00 O ATOM 1631 CB MET A 105 11.999 -8.409 0.454 1.00 0.00 C ATOM 1632 CG MET A 105 11.501 -9.856 0.390 1.00 0.00 C ATOM 1633 SD MET A 105 10.029 -10.037 1.424 1.00 0.00 S ATOM 1634 CE MET A 105 8.976 -8.855 0.549 1.00 0.00 C ATOM 0 H MET A 105 14.279 -8.268 1.851 1.00 0.00 H new ATOM 0 HA MET A 105 13.546 -8.985 -0.944 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.960 -8.046 1.481 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.349 -7.764 -0.137 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.270 -10.126 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.282 -10.536 0.730 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.991 -9.293 0.391 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.878 -7.946 1.143 1.00 0.00 H new ATOM 0 HE3 MET A 105 9.424 -8.612 -0.414 1.00 0.00 H new ATOM 1644 N TYR A 106 13.621 -6.646 -1.794 1.00 0.00 N ATOM 1645 CA TYR A 106 13.888 -5.317 -2.330 1.00 0.00 C ATOM 1646 C TYR A 106 12.949 -5.021 -3.489 1.00 0.00 C ATOM 1647 O TYR A 106 13.208 -5.438 -4.620 1.00 0.00 O ATOM 1648 CB TYR A 106 15.337 -5.231 -2.809 1.00 0.00 C ATOM 1649 CG TYR A 106 15.567 -3.893 -3.476 1.00 0.00 C ATOM 1650 CD1 TYR A 106 15.775 -2.750 -2.699 1.00 0.00 C ATOM 1651 CD2 TYR A 106 15.567 -3.801 -4.873 1.00 0.00 C ATOM 1652 CE1 TYR A 106 15.986 -1.513 -3.316 1.00 0.00 C ATOM 1653 CE2 TYR A 106 15.778 -2.564 -5.496 1.00 0.00 C ATOM 1654 CZ TYR A 106 15.988 -1.420 -4.715 1.00 0.00 C ATOM 1655 OH TYR A 106 16.195 -0.200 -5.323 1.00 0.00 O ATOM 0 H TYR A 106 13.328 -7.332 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 106 13.724 -4.582 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 106 16.018 -5.352 -1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 106 15.549 -6.040 -3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 106 15.773 -2.822 -1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.404 -4.685 -5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 106 16.147 -0.630 -2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.779 -2.493 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 106 15.476 -0.029 -5.966 1.00 0.00 H new ATOM 1665 N CYS A 107 11.860 -4.303 -3.195 1.00 0.00 N ATOM 1666 CA CYS A 107 10.878 -3.946 -4.218 1.00 0.00 C ATOM 1667 C CYS A 107 11.102 -2.524 -4.714 1.00 0.00 C ATOM 1668 O CYS A 107 10.951 -1.565 -3.962 1.00 0.00 O ATOM 1669 CB CYS A 107 9.466 -4.085 -3.650 1.00 0.00 C ATOM 1670 SG CYS A 107 8.293 -4.346 -5.001 1.00 0.00 S ATOM 0 H CYS A 107 11.639 -3.960 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 107 10.997 -4.625 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.424 -4.921 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.198 -3.189 -3.090 1.00 0.00 H new ATOM 0 HG CYS A 107 7.093 -4.466 -4.516 1.00 0.00 H new ATOM 1676 N SER A 108 11.453 -2.398 -5.992 1.00 0.00 N ATOM 1677 CA SER A 108 11.679 -1.081 -6.578 1.00 0.00 C ATOM 1678 C SER A 108 11.850 -1.187 -8.087 1.00 0.00 C ATOM 1679 O SER A 108 12.118 -2.266 -8.616 1.00 0.00 O ATOM 1680 CB SER A 108 12.923 -0.439 -5.963 1.00 0.00 C ATOM 1681 OG SER A 108 14.074 -0.898 -6.653 1.00 0.00 O ATOM 0 H SER A 108 11.585 -3.180 -6.633 1.00 0.00 H new ATOM 0 HA SER A 108 10.810 -0.458 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.855 0.647 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.993 -0.693 -4.905 1.00 0.00 H new ATOM 0 HG SER A 108 14.572 -1.519 -6.081 1.00 0.00 H new ATOM 1687 N PHE A 109 11.695 -0.062 -8.778 1.00 0.00 N ATOM 1688 CA PHE A 109 11.843 -0.055 -10.227 1.00 0.00 C ATOM 1689 C PHE A 109 13.261 -0.472 -10.619 1.00 0.00 C ATOM 1690 O PHE A 109 13.446 -1.382 -11.426 1.00 0.00 O ATOM 1691 CB PHE A 109 11.549 1.357 -10.771 1.00 0.00 C ATOM 1692 CG PHE A 109 12.255 1.560 -12.096 1.00 0.00 C ATOM 1693 CD1 PHE A 109 12.196 0.561 -13.076 1.00 0.00 C ATOM 1694 CD2 PHE A 109 12.979 2.732 -12.333 1.00 0.00 C ATOM 1695 CE1 PHE A 109 12.859 0.735 -14.294 1.00 0.00 C ATOM 1696 CE2 PHE A 109 13.642 2.906 -13.552 1.00 0.00 C ATOM 1697 CZ PHE A 109 13.579 1.908 -14.533 1.00 0.00 C ATOM 0 H PHE A 109 11.470 0.843 -8.365 1.00 0.00 H new ATOM 0 HA PHE A 109 11.136 -0.765 -10.656 1.00 0.00 H new ATOM 0 HB2 PHE A 109 10.475 1.490 -10.898 1.00 0.00 H new ATOM 0 HB3 PHE A 109 11.881 2.108 -10.054 1.00 0.00 H new ATOM 0 HD1 PHE A 109 11.638 -0.345 -12.890 1.00 0.00 H new ATOM 0 HD2 PHE A 109 13.026 3.501 -11.577 1.00 0.00 H new ATOM 0 HE1 PHE A 109 12.815 -0.036 -15.049 1.00 0.00 H new ATOM 0 HE2 PHE A 109 14.203 3.810 -13.737 1.00 0.00 H new ATOM 0 HZ PHE A 109 14.088 2.046 -15.476 1.00 0.00 H new ATOM 1707 N SER A 110 14.254 0.208 -10.048 1.00 0.00 N ATOM 1708 CA SER A 110 15.648 -0.086 -10.363 1.00 0.00 C ATOM 1709 C SER A 110 15.858 -1.585 -10.435 1.00 0.00 C ATOM 1710 O SER A 110 15.176 -2.343 -9.756 1.00 0.00 O ATOM 1711 CB SER A 110 16.558 0.504 -9.288 1.00 0.00 C ATOM 1712 OG SER A 110 16.621 -0.395 -8.187 1.00 0.00 O ATOM 0 H SER A 110 14.120 0.959 -9.371 1.00 0.00 H new ATOM 0 HA SER A 110 15.892 0.358 -11.328 1.00 0.00 H new ATOM 0 HB2 SER A 110 17.556 0.674 -9.692 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.177 1.472 -8.962 1.00 0.00 H new ATOM 0 HG SER A 110 15.714 -0.586 -7.868 1.00 0.00 H new ATOM 1718 N ALA A 111 16.790 -2.012 -11.277 1.00 0.00 N ATOM 1719 CA ALA A 111 17.070 -3.436 -11.444 1.00 0.00 C ATOM 1720 C ALA A 111 18.398 -3.794 -10.777 1.00 0.00 C ATOM 1721 O ALA A 111 19.231 -2.924 -10.510 1.00 0.00 O ATOM 1722 CB ALA A 111 17.124 -3.785 -12.950 1.00 0.00 C ATOM 0 H ALA A 111 17.364 -1.397 -11.854 1.00 0.00 H new ATOM 0 HA ALA A 111 16.274 -4.012 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 111 17.333 -4.848 -13.070 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.166 -3.549 -13.413 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.911 -3.204 -13.430 1.00 0.00 H new ATOM 1728 N PRO A 112 18.608 -5.056 -10.523 1.00 0.00 N ATOM 1729 CA PRO A 112 19.865 -5.552 -9.889 1.00 0.00 C ATOM 1730 C PRO A 112 21.103 -5.149 -10.680 1.00 0.00 C ATOM 1731 O PRO A 112 22.170 -4.942 -10.109 1.00 0.00 O ATOM 1732 CB PRO A 112 19.685 -7.088 -9.867 1.00 0.00 C ATOM 1733 CG PRO A 112 18.583 -7.374 -10.842 1.00 0.00 C ATOM 1734 CD PRO A 112 17.677 -6.157 -10.810 1.00 0.00 C ATOM 0 HA PRO A 112 20.021 -5.129 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 112 20.606 -7.596 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 112 19.426 -7.439 -8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 112 18.980 -7.540 -11.843 1.00 0.00 H new ATOM 0 HG3 PRO A 112 18.037 -8.275 -10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 112 17.162 -6.012 -11.760 1.00 0.00 H new ATOM 0 HD3 PRO A 112 16.909 -6.246 -10.042 1.00 0.00 H new ATOM 1742 N ASP A 113 20.956 -5.043 -11.994 1.00 0.00 N ATOM 1743 CA ASP A 113 22.069 -4.655 -12.861 1.00 0.00 C ATOM 1744 C ASP A 113 21.898 -3.216 -13.321 1.00 0.00 C ATOM 1745 O ASP A 113 22.557 -2.780 -14.264 1.00 0.00 O ATOM 1746 CB ASP A 113 22.138 -5.577 -14.077 1.00 0.00 C ATOM 1747 CG ASP A 113 22.554 -6.979 -13.643 1.00 0.00 C ATOM 1748 OD1 ASP A 113 22.934 -7.133 -12.494 1.00 0.00 O ATOM 1749 OD2 ASP A 113 22.486 -7.876 -14.467 1.00 0.00 O ATOM 0 H ASP A 113 20.080 -5.219 -12.486 1.00 0.00 H new ATOM 0 HA ASP A 113 22.996 -4.742 -12.294 1.00 0.00 H new ATOM 0 HB2 ASP A 113 21.168 -5.613 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 113 22.851 -5.185 -14.802 1.00 0.00 H new ATOM 1754 N ASP A 114 21.009 -2.482 -12.653 1.00 0.00 N ATOM 1755 CA ASP A 114 20.755 -1.086 -13.005 1.00 0.00 C ATOM 1756 C ASP A 114 20.755 -0.896 -14.520 1.00 0.00 C ATOM 1757 O ASP A 114 19.681 -0.740 -15.079 1.00 0.00 O ATOM 1758 CB ASP A 114 21.823 -0.186 -12.383 1.00 0.00 C ATOM 1759 CG ASP A 114 21.736 -0.243 -10.862 1.00 0.00 C ATOM 1760 OD1 ASP A 114 20.704 -0.661 -10.364 1.00 0.00 O ATOM 1761 OD2 ASP A 114 22.702 0.133 -10.218 1.00 0.00 O ATOM 0 H ASP A 114 20.455 -2.828 -11.869 1.00 0.00 H new ATOM 0 HA ASP A 114 19.773 -0.814 -12.617 1.00 0.00 H new ATOM 0 HB2 ASP A 114 22.813 -0.504 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 114 21.688 0.840 -12.724 1.00 0.00 H new