USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 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 96 LYS NZ :NH3+ 149:sc= -0.297 (180deg=-1.55!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -150:sc= -0.0572 USER MOD Single : A 44 LYS NZ :NH3+ -157:sc= -0.0192 (180deg=-0.228) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.018) USER MOD Single : A 50 MET CE :methyl -134:sc= -1.3 (180deg=-2.7) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -127:sc= -3.36 (180deg=-8.83!) USER MOD Single : A 65 SER OG : rot 160:sc= 0.0991 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0129 K(o=-0.013,f=-0.93) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -129:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -6.194 -0.117 4.052 1.00 0.00 N ATOM 359 CA VAL A 25 -4.782 -0.220 4.406 1.00 0.00 C ATOM 360 C VAL A 25 -4.610 -0.457 5.903 1.00 0.00 C ATOM 361 O VAL A 25 -5.383 0.053 6.716 1.00 0.00 O ATOM 362 CB VAL A 25 -4.009 1.050 3.999 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.524 0.898 4.299 1.00 0.00 C ATOM 364 CG2 VAL A 25 -4.231 1.360 2.527 1.00 0.00 C ATOM 0 HA VAL A 25 -4.375 -1.071 3.859 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.389 1.885 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.998 1.806 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.384 0.729 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.125 0.050 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.678 2.260 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.881 0.524 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.294 1.519 2.345 1.00 0.00 H new ATOM 374 N THR A 26 -3.590 -1.231 6.260 1.00 0.00 N ATOM 375 CA THR A 26 -3.315 -1.541 7.657 1.00 0.00 C ATOM 376 C THR A 26 -2.199 -0.658 8.201 1.00 0.00 C ATOM 377 O THR A 26 -2.409 0.118 9.132 1.00 0.00 O ATOM 378 CB THR A 26 -2.935 -3.015 7.808 1.00 0.00 C ATOM 379 OG1 THR A 26 -3.777 -3.833 7.016 1.00 0.00 O ATOM 380 CG2 THR A 26 -3.018 -3.510 9.234 1.00 0.00 C ATOM 0 H THR A 26 -2.939 -1.655 5.599 1.00 0.00 H new ATOM 0 HA THR A 26 -4.220 -1.345 8.232 1.00 0.00 H new ATOM 0 HB THR A 26 -1.898 -3.083 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.517 -4.772 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.736 -4.562 9.271 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.340 -2.930 9.860 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.038 -3.395 9.600 1.00 0.00 H new ATOM 388 N LYS A 27 -1.010 -0.781 7.615 1.00 0.00 N ATOM 389 CA LYS A 27 0.135 0.014 8.049 1.00 0.00 C ATOM 390 C LYS A 27 0.640 0.906 6.921 1.00 0.00 C ATOM 391 O LYS A 27 0.380 0.647 5.746 1.00 0.00 O ATOM 392 CB LYS A 27 1.261 -0.897 8.541 1.00 0.00 C ATOM 393 CG LYS A 27 2.270 -0.191 9.430 1.00 0.00 C ATOM 394 CD LYS A 27 2.197 -0.690 10.864 1.00 0.00 C ATOM 395 CE LYS A 27 3.059 0.152 11.792 1.00 0.00 C ATOM 396 NZ LYS A 27 4.512 -0.050 11.535 1.00 0.00 N ATOM 0 H LYS A 27 -0.815 -1.419 6.844 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.190 0.651 8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.827 -1.732 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.780 -1.317 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.275 -0.351 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.086 0.883 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.162 -0.667 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.523 -1.729 10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.810 1.205 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.834 -0.103 12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.065 0.541 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.755 -1.050 11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.732 0.218 10.554 1.00 0.00 H new ATOM 410 N THR A 28 1.358 1.964 7.289 1.00 0.00 N ATOM 411 CA THR A 28 1.903 2.901 6.312 1.00 0.00 C ATOM 412 C THR A 28 3.400 3.097 6.524 1.00 0.00 C ATOM 413 O THR A 28 3.901 2.966 7.641 1.00 0.00 O ATOM 414 CB THR A 28 1.182 4.249 6.410 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.224 4.069 6.363 1.00 0.00 O ATOM 416 CG2 THR A 28 1.560 5.218 5.309 1.00 0.00 C ATOM 0 H THR A 28 1.576 2.194 8.259 1.00 0.00 H new ATOM 0 HA THR A 28 1.746 2.483 5.318 1.00 0.00 H new ATOM 0 HB THR A 28 1.496 4.674 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.668 4.940 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.012 6.151 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.631 5.417 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.310 4.784 4.341 1.00 0.00 H new ATOM 424 N LEU A 29 4.110 3.414 5.445 1.00 0.00 N ATOM 425 CA LEU A 29 5.545 3.629 5.508 1.00 0.00 C ATOM 426 C LEU A 29 5.933 4.923 4.801 1.00 0.00 C ATOM 427 O LEU A 29 5.675 5.094 3.609 1.00 0.00 O ATOM 428 CB LEU A 29 6.282 2.451 4.872 1.00 0.00 C ATOM 429 CG LEU A 29 7.789 2.435 5.120 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.263 1.024 5.434 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.535 2.999 3.922 1.00 0.00 C ATOM 0 H LEU A 29 3.709 3.527 4.514 1.00 0.00 H new ATOM 0 HA LEU A 29 5.830 3.709 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.855 1.524 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.104 2.466 3.797 1.00 0.00 H new ATOM 0 HG LEU A 29 8.002 3.067 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.339 1.032 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.754 0.659 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.036 0.368 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.607 2.979 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.316 2.396 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.217 4.027 3.747 1.00 0.00 H new ATOM 443 N ASP A 30 6.557 5.830 5.544 1.00 0.00 N ATOM 444 CA ASP A 30 6.995 7.106 4.993 1.00 0.00 C ATOM 445 C ASP A 30 8.503 7.259 5.134 1.00 0.00 C ATOM 446 O ASP A 30 9.036 7.250 6.244 1.00 0.00 O ATOM 447 CB ASP A 30 6.285 8.264 5.698 1.00 0.00 C ATOM 448 CG ASP A 30 5.614 7.834 6.988 1.00 0.00 C ATOM 449 OD1 ASP A 30 4.506 7.260 6.917 1.00 0.00 O ATOM 450 OD2 ASP A 30 6.197 8.068 8.067 1.00 0.00 O ATOM 0 H ASP A 30 6.771 5.704 6.533 1.00 0.00 H new ATOM 0 HA ASP A 30 6.738 7.127 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.007 9.052 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.538 8.690 5.028 1.00 0.00 H new ATOM 455 N VAL A 31 9.192 7.389 4.004 1.00 0.00 N ATOM 456 CA VAL A 31 10.645 7.523 4.012 1.00 0.00 C ATOM 457 C VAL A 31 11.095 8.785 3.285 1.00 0.00 C ATOM 458 O VAL A 31 12.259 8.909 2.904 1.00 0.00 O ATOM 459 CB VAL A 31 11.331 6.301 3.372 1.00 0.00 C ATOM 460 CG1 VAL A 31 11.833 5.349 4.446 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.384 5.589 2.417 1.00 0.00 C ATOM 0 H VAL A 31 8.770 7.404 3.075 1.00 0.00 H new ATOM 0 HA VAL A 31 10.943 7.590 5.058 1.00 0.00 H new ATOM 0 HB VAL A 31 12.189 6.651 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.315 4.492 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.552 5.865 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.993 5.007 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.890 4.729 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.503 5.251 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.080 6.275 1.627 1.00 0.00 H new ATOM 471 N ARG A 32 10.180 9.737 3.128 1.00 0.00 N ATOM 472 CA ARG A 32 10.494 10.990 2.447 1.00 0.00 C ATOM 473 C ARG A 32 11.348 11.911 3.323 1.00 0.00 C ATOM 474 O ARG A 32 11.467 13.105 3.043 1.00 0.00 O ATOM 475 CB ARG A 32 9.203 11.710 2.047 1.00 0.00 C ATOM 476 CG ARG A 32 9.138 12.073 0.573 1.00 0.00 C ATOM 477 CD ARG A 32 8.396 13.381 0.353 1.00 0.00 C ATOM 478 NE ARG A 32 9.123 14.523 0.900 1.00 0.00 N ATOM 479 CZ ARG A 32 8.813 15.112 2.051 1.00 0.00 C ATOM 480 NH1 ARG A 32 7.796 14.666 2.776 1.00 0.00 N ATOM 481 NH2 ARG A 32 9.523 16.148 2.480 1.00 0.00 N ATOM 0 H ARG A 32 9.219 9.666 3.461 1.00 0.00 H new ATOM 0 HA ARG A 32 11.069 10.745 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.352 11.075 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.105 12.619 2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.148 12.155 0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.641 11.274 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.236 13.531 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.412 13.322 0.818 1.00 0.00 H new ATOM 0 HE ARG A 32 9.913 14.890 0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.249 13.869 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.561 15.120 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.307 16.493 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.284 16.599 3.363 1.00 0.00 H new ATOM 631 N THR A 43 13.294 -0.521 4.512 1.00 0.00 N ATOM 632 CA THR A 43 12.468 -1.214 3.530 1.00 0.00 C ATOM 633 C THR A 43 12.717 -2.718 3.570 1.00 0.00 C ATOM 634 O THR A 43 11.778 -3.511 3.519 1.00 0.00 O ATOM 635 CB THR A 43 12.739 -0.670 2.124 1.00 0.00 C ATOM 636 OG1 THR A 43 11.810 -1.200 1.196 1.00 0.00 O ATOM 637 CG2 THR A 43 14.129 -0.982 1.613 1.00 0.00 C ATOM 0 HA THR A 43 11.423 -1.034 3.782 1.00 0.00 H new ATOM 0 HB THR A 43 12.640 0.412 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.228 -1.259 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.251 -0.567 0.613 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.869 -0.542 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.269 -2.062 1.577 1.00 0.00 H new ATOM 645 N LYS A 44 13.986 -3.106 3.674 1.00 0.00 N ATOM 646 CA LYS A 44 14.351 -4.516 3.732 1.00 0.00 C ATOM 647 C LYS A 44 13.610 -5.214 4.866 1.00 0.00 C ATOM 648 O LYS A 44 13.090 -6.318 4.698 1.00 0.00 O ATOM 649 CB LYS A 44 15.861 -4.667 3.918 1.00 0.00 C ATOM 650 CG LYS A 44 16.634 -4.697 2.610 1.00 0.00 C ATOM 651 CD LYS A 44 16.967 -6.118 2.191 1.00 0.00 C ATOM 652 CE LYS A 44 18.469 -6.352 2.149 1.00 0.00 C ATOM 653 NZ LYS A 44 19.139 -5.487 1.140 1.00 0.00 N ATOM 0 H LYS A 44 14.777 -2.463 3.720 1.00 0.00 H new ATOM 0 HA LYS A 44 14.065 -4.984 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.228 -3.842 4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.061 -5.585 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.047 -4.215 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.555 -4.123 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.508 -6.820 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.539 -6.318 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.894 -6.157 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.667 -7.399 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.043 -5.918 0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.527 -5.390 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.316 -4.548 1.551 1.00 0.00 H new ATOM 667 N ARG A 45 13.546 -4.548 6.015 1.00 0.00 N ATOM 668 CA ARG A 45 12.852 -5.086 7.175 1.00 0.00 C ATOM 669 C ARG A 45 11.361 -5.232 6.894 1.00 0.00 C ATOM 670 O ARG A 45 10.703 -6.124 7.427 1.00 0.00 O ATOM 671 CB ARG A 45 13.065 -4.174 8.380 1.00 0.00 C ATOM 672 CG ARG A 45 12.539 -4.753 9.683 1.00 0.00 C ATOM 673 CD ARG A 45 11.239 -4.087 10.105 1.00 0.00 C ATOM 674 NE ARG A 45 11.302 -3.578 11.472 1.00 0.00 N ATOM 675 CZ ARG A 45 10.355 -2.826 12.025 1.00 0.00 C ATOM 676 NH1 ARG A 45 9.273 -2.498 11.331 1.00 0.00 N ATOM 677 NH2 ARG A 45 10.487 -2.402 13.275 1.00 0.00 N ATOM 0 H ARG A 45 13.969 -3.632 6.165 1.00 0.00 H new ATOM 0 HA ARG A 45 13.261 -6.073 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.130 -3.970 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.575 -3.219 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.379 -5.825 9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.286 -4.625 10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.014 -3.267 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.422 -4.803 10.022 1.00 0.00 H new ATOM 0 HE ARG A 45 12.119 -3.813 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.166 -2.823 10.370 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.549 -1.921 11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.316 -2.653 13.814 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.759 -1.825 13.697 1.00 0.00 H new ATOM 691 N ALA A 46 10.837 -4.344 6.054 1.00 0.00 N ATOM 692 CA ALA A 46 9.421 -4.361 5.707 1.00 0.00 C ATOM 693 C ALA A 46 9.029 -5.675 5.040 1.00 0.00 C ATOM 694 O ALA A 46 8.035 -6.297 5.417 1.00 0.00 O ATOM 695 CB ALA A 46 9.084 -3.185 4.802 1.00 0.00 C ATOM 0 H ALA A 46 11.373 -3.604 5.601 1.00 0.00 H new ATOM 0 HA ALA A 46 8.848 -4.271 6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.024 -3.211 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.312 -2.252 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.674 -3.248 3.888 1.00 0.00 H new ATOM 701 N LEU A 47 9.810 -6.091 4.046 1.00 0.00 N ATOM 702 CA LEU A 47 9.532 -7.333 3.328 1.00 0.00 C ATOM 703 C LEU A 47 9.528 -8.527 4.279 1.00 0.00 C ATOM 704 O LEU A 47 8.667 -9.403 4.186 1.00 0.00 O ATOM 705 CB LEU A 47 10.565 -7.559 2.220 1.00 0.00 C ATOM 706 CG LEU A 47 10.441 -6.644 0.992 1.00 0.00 C ATOM 707 CD1 LEU A 47 8.983 -6.433 0.609 1.00 0.00 C ATOM 708 CD2 LEU A 47 11.126 -5.311 1.248 1.00 0.00 C ATOM 0 H LEU A 47 10.636 -5.590 3.720 1.00 0.00 H new ATOM 0 HA LEU A 47 8.543 -7.241 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.560 -7.431 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.492 -8.594 1.887 1.00 0.00 H new ATOM 0 HG LEU A 47 10.939 -7.134 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.927 -5.782 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.526 -7.394 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.451 -5.972 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.028 -4.676 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.660 -4.821 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.182 -5.479 1.458 1.00 0.00 H new ATOM 720 N GLN A 48 10.495 -8.556 5.190 1.00 0.00 N ATOM 721 CA GLN A 48 10.612 -9.652 6.149 1.00 0.00 C ATOM 722 C GLN A 48 9.656 -9.469 7.325 1.00 0.00 C ATOM 723 O GLN A 48 9.737 -10.194 8.317 1.00 0.00 O ATOM 724 CB GLN A 48 12.049 -9.752 6.662 1.00 0.00 C ATOM 725 CG GLN A 48 12.732 -11.063 6.309 1.00 0.00 C ATOM 726 CD GLN A 48 14.204 -11.070 6.675 1.00 0.00 C ATOM 727 OE1 GLN A 48 14.582 -11.498 7.765 1.00 0.00 O ATOM 728 NE2 GLN A 48 15.041 -10.590 5.763 1.00 0.00 N ATOM 0 H GLN A 48 11.209 -7.834 5.286 1.00 0.00 H new ATOM 0 HA GLN A 48 10.344 -10.574 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.631 -8.927 6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.048 -9.633 7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.229 -11.881 6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.626 -11.247 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.682 -10.246 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.043 -10.566 5.953 1.00 0.00 H new ATOM 737 N ASN A 49 8.753 -8.501 7.210 1.00 0.00 N ATOM 738 CA ASN A 49 7.788 -8.231 8.271 1.00 0.00 C ATOM 739 C ASN A 49 6.386 -8.032 7.704 1.00 0.00 C ATOM 740 O ASN A 49 5.593 -7.258 8.241 1.00 0.00 O ATOM 741 CB ASN A 49 8.209 -6.995 9.069 1.00 0.00 C ATOM 742 CG ASN A 49 8.586 -7.330 10.499 1.00 0.00 C ATOM 743 OD1 ASN A 49 9.200 -8.363 10.766 1.00 0.00 O ATOM 744 ND2 ASN A 49 8.218 -6.456 11.429 1.00 0.00 N ATOM 0 H ASN A 49 8.669 -7.892 6.396 1.00 0.00 H new ATOM 0 HA ASN A 49 7.768 -9.096 8.934 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.056 -6.518 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.393 -6.272 9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.443 -6.629 12.409 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.710 -5.612 11.163 1.00 0.00 H new ATOM 751 N MET A 50 6.085 -8.739 6.620 1.00 0.00 N ATOM 752 CA MET A 50 4.776 -8.640 5.984 1.00 0.00 C ATOM 753 C MET A 50 3.963 -9.912 6.199 1.00 0.00 C ATOM 754 O MET A 50 4.508 -11.017 6.205 1.00 0.00 O ATOM 755 CB MET A 50 4.930 -8.367 4.491 1.00 0.00 C ATOM 756 CG MET A 50 5.266 -6.921 4.174 1.00 0.00 C ATOM 757 SD MET A 50 6.137 -6.733 2.608 1.00 0.00 S ATOM 758 CE MET A 50 6.470 -4.974 2.623 1.00 0.00 C ATOM 0 H MET A 50 6.728 -9.386 6.164 1.00 0.00 H new ATOM 0 HA MET A 50 4.242 -7.809 6.445 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.713 -9.010 4.090 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.005 -8.637 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.346 -6.337 4.145 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.879 -6.511 4.977 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.221 -4.548 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.866 -4.496 3.394 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.526 -4.805 2.833 1.00 0.00 H new ATOM 768 N LYS A 51 2.655 -9.749 6.376 1.00 0.00 N ATOM 769 CA LYS A 51 1.764 -10.883 6.594 1.00 0.00 C ATOM 770 C LYS A 51 1.123 -11.332 5.280 1.00 0.00 C ATOM 771 O LYS A 51 1.141 -10.596 4.295 1.00 0.00 O ATOM 772 CB LYS A 51 0.683 -10.515 7.616 1.00 0.00 C ATOM 773 CG LYS A 51 1.229 -9.835 8.861 1.00 0.00 C ATOM 774 CD LYS A 51 0.123 -9.512 9.851 1.00 0.00 C ATOM 775 CE LYS A 51 0.681 -9.215 11.234 1.00 0.00 C ATOM 776 NZ LYS A 51 0.832 -7.753 11.469 1.00 0.00 N ATOM 0 H LYS A 51 2.189 -8.842 6.373 1.00 0.00 H new ATOM 0 HA LYS A 51 2.353 -11.713 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.044 -9.856 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.150 -11.419 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.966 -10.482 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.745 -8.917 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.446 -8.653 9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.570 -10.351 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.020 -9.638 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.649 -9.703 11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.215 -7.592 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.482 -7.353 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.096 -7.290 11.386 1.00 0.00 H new ATOM 790 N PRO A 52 0.560 -12.558 5.248 1.00 0.00 N ATOM 791 CA PRO A 52 -0.063 -13.120 4.045 1.00 0.00 C ATOM 792 C PRO A 52 -0.911 -12.112 3.270 1.00 0.00 C ATOM 793 O PRO A 52 -0.571 -11.746 2.147 1.00 0.00 O ATOM 794 CB PRO A 52 -0.939 -14.234 4.608 1.00 0.00 C ATOM 795 CG PRO A 52 -0.197 -14.715 5.807 1.00 0.00 C ATOM 796 CD PRO A 52 0.511 -13.512 6.377 1.00 0.00 C ATOM 0 HA PRO A 52 0.683 -13.451 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.929 -13.865 4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.082 -15.034 3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.879 -15.148 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.516 -15.494 5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.029 -13.097 7.228 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.511 -13.767 6.728 1.00 0.00 H new ATOM 804 N GLY A 53 -2.037 -11.710 3.852 1.00 0.00 N ATOM 805 CA GLY A 53 -2.930 -10.773 3.187 1.00 0.00 C ATOM 806 C GLY A 53 -2.839 -9.367 3.748 1.00 0.00 C ATOM 807 O GLY A 53 -3.840 -8.806 4.195 1.00 0.00 O ATOM 0 H GLY A 53 -2.349 -12.016 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.696 -10.749 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.956 -11.129 3.280 1.00 0.00 H new ATOM 811 N GLU A 54 -1.639 -8.798 3.735 1.00 0.00 N ATOM 812 CA GLU A 54 -1.431 -7.448 4.255 1.00 0.00 C ATOM 813 C GLU A 54 -1.596 -6.390 3.168 1.00 0.00 C ATOM 814 O GLU A 54 -1.437 -6.671 1.981 1.00 0.00 O ATOM 815 CB GLU A 54 -0.043 -7.319 4.884 1.00 0.00 C ATOM 816 CG GLU A 54 -0.042 -7.489 6.393 1.00 0.00 C ATOM 817 CD GLU A 54 -0.829 -6.405 7.103 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.484 -5.216 6.939 1.00 0.00 O ATOM 819 OE2 GLU A 54 -1.792 -6.746 7.822 1.00 0.00 O ATOM 0 H GLU A 54 -0.798 -9.246 3.372 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.193 -7.279 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.618 -8.065 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.370 -6.341 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.463 -8.462 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.986 -7.482 6.755 1.00 0.00 H new ATOM 826 N ILE A 55 -1.894 -5.168 3.596 1.00 0.00 N ATOM 827 CA ILE A 55 -2.048 -4.037 2.687 1.00 0.00 C ATOM 828 C ILE A 55 -1.317 -2.818 3.243 1.00 0.00 C ATOM 829 O ILE A 55 -1.732 -2.247 4.251 1.00 0.00 O ATOM 830 CB ILE A 55 -3.531 -3.680 2.468 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.354 -4.944 2.212 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.678 -2.705 1.310 1.00 0.00 C ATOM 833 CD1 ILE A 55 -5.074 -5.456 3.441 1.00 0.00 C ATOM 0 H ILE A 55 -2.035 -4.934 4.579 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.619 -4.327 1.728 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.908 -3.201 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.086 -4.739 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.696 -5.726 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.732 -2.464 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.123 -1.793 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.285 -3.159 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.637 -6.354 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.346 -5.693 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.758 -4.691 3.807 1.00 0.00 H new ATOM 845 N LEU A 56 -0.223 -2.426 2.594 1.00 0.00 N ATOM 846 CA LEU A 56 0.585 -1.310 3.073 1.00 0.00 C ATOM 847 C LEU A 56 0.644 -0.173 2.061 1.00 0.00 C ATOM 848 O LEU A 56 0.627 -0.396 0.851 1.00 0.00 O ATOM 849 CB LEU A 56 2.011 -1.786 3.378 1.00 0.00 C ATOM 850 CG LEU A 56 2.175 -2.690 4.607 1.00 0.00 C ATOM 851 CD1 LEU A 56 0.975 -2.589 5.537 1.00 0.00 C ATOM 852 CD2 LEU A 56 2.397 -4.133 4.178 1.00 0.00 C ATOM 0 H LEU A 56 0.122 -2.863 1.739 1.00 0.00 H new ATOM 0 HA LEU A 56 0.112 -0.934 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.387 -2.321 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.644 -0.909 3.511 1.00 0.00 H new ATOM 0 HG LEU A 56 3.051 -2.348 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.125 -3.242 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.865 -1.560 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.074 -2.893 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.512 -4.762 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.541 -4.476 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.298 -4.197 3.568 1.00 0.00 H new ATOM 864 N GLU A 57 0.746 1.047 2.577 1.00 0.00 N ATOM 865 CA GLU A 57 0.857 2.236 1.742 1.00 0.00 C ATOM 866 C GLU A 57 2.247 2.846 1.891 1.00 0.00 C ATOM 867 O GLU A 57 2.766 2.950 3.001 1.00 0.00 O ATOM 868 CB GLU A 57 -0.215 3.259 2.127 1.00 0.00 C ATOM 869 CG GLU A 57 -0.028 4.617 1.470 1.00 0.00 C ATOM 870 CD GLU A 57 -0.878 5.697 2.106 1.00 0.00 C ATOM 871 OE1 GLU A 57 -2.113 5.670 1.919 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.309 6.572 2.793 1.00 0.00 O ATOM 0 H GLU A 57 0.754 1.238 3.579 1.00 0.00 H new ATOM 0 HA GLU A 57 0.705 1.951 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.194 2.866 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.212 3.386 3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.022 4.904 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.277 4.541 0.411 1.00 0.00 H new ATOM 879 N VAL A 58 2.859 3.226 0.775 1.00 0.00 N ATOM 880 CA VAL A 58 4.206 3.788 0.805 1.00 0.00 C ATOM 881 C VAL A 58 4.275 5.143 0.111 1.00 0.00 C ATOM 882 O VAL A 58 3.615 5.373 -0.903 1.00 0.00 O ATOM 883 CB VAL A 58 5.229 2.841 0.147 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.633 3.145 0.648 1.00 0.00 C ATOM 885 CG2 VAL A 58 4.865 1.387 0.407 1.00 0.00 C ATOM 0 H VAL A 58 2.448 3.156 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 58 4.455 3.917 1.858 1.00 0.00 H new ATOM 0 HB VAL A 58 5.206 3.006 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.343 2.468 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.893 4.174 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.670 3.011 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.601 0.737 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.855 1.201 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.878 1.179 -0.007 1.00 0.00 H new ATOM 895 N TRP A 59 5.105 6.027 0.657 1.00 0.00 N ATOM 896 CA TRP A 59 5.305 7.356 0.090 1.00 0.00 C ATOM 897 C TRP A 59 6.796 7.656 -0.039 1.00 0.00 C ATOM 898 O TRP A 59 7.491 7.837 0.964 1.00 0.00 O ATOM 899 CB TRP A 59 4.628 8.416 0.965 1.00 0.00 C ATOM 900 CG TRP A 59 4.705 9.804 0.403 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.782 10.157 -0.916 1.00 0.00 C ATOM 902 CD2 TRP A 59 4.704 11.029 1.145 1.00 0.00 C ATOM 903 NE1 TRP A 59 4.834 11.524 -1.035 1.00 0.00 N ATOM 904 CE2 TRP A 59 4.787 12.082 0.215 1.00 0.00 C ATOM 905 CE3 TRP A 59 4.643 11.337 2.507 1.00 0.00 C ATOM 906 CZ2 TRP A 59 4.810 13.418 0.603 1.00 0.00 C ATOM 907 CZ3 TRP A 59 4.666 12.664 2.892 1.00 0.00 C ATOM 908 CH2 TRP A 59 4.749 13.691 1.942 1.00 0.00 C ATOM 0 H TRP A 59 5.653 5.844 1.498 1.00 0.00 H new ATOM 0 HA TRP A 59 4.854 7.382 -0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.581 8.147 1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.090 8.408 1.952 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.799 9.462 -1.743 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.897 12.040 -1.912 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.579 10.552 3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 4.874 14.211 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.619 12.914 3.942 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.765 14.719 2.274 1.00 0.00 H new ATOM 919 N ILE A 60 7.291 7.656 -1.276 1.00 0.00 N ATOM 920 CA ILE A 60 8.708 7.905 -1.531 1.00 0.00 C ATOM 921 C ILE A 60 8.901 8.693 -2.823 1.00 0.00 C ATOM 922 O ILE A 60 7.947 9.237 -3.378 1.00 0.00 O ATOM 923 CB ILE A 60 9.518 6.592 -1.625 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.694 5.401 -1.129 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.812 6.712 -0.835 1.00 0.00 C ATOM 926 CD1 ILE A 60 7.858 4.749 -2.208 1.00 0.00 C ATOM 0 H ILE A 60 6.734 7.487 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 60 9.076 8.486 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 60 9.763 6.418 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.367 4.657 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.038 5.734 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.372 5.780 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.410 7.529 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.582 6.914 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.302 3.914 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.159 5.479 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.509 4.384 -3.002 1.00 0.00 H new ATOM 938 N ASP A 61 10.141 8.741 -3.300 1.00 0.00 N ATOM 939 CA ASP A 61 10.459 9.455 -4.530 1.00 0.00 C ATOM 940 C ASP A 61 11.562 8.745 -5.309 1.00 0.00 C ATOM 941 O ASP A 61 12.308 9.376 -6.059 1.00 0.00 O ATOM 942 CB ASP A 61 10.886 10.890 -4.212 1.00 0.00 C ATOM 943 CG ASP A 61 12.155 10.946 -3.385 1.00 0.00 C ATOM 944 OD1 ASP A 61 12.057 10.861 -2.142 1.00 0.00 O ATOM 945 OD2 ASP A 61 13.246 11.075 -3.979 1.00 0.00 O ATOM 0 H ASP A 61 10.941 8.294 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 61 9.562 9.475 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.038 11.436 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.083 11.394 -3.675 1.00 0.00 H new ATOM 950 N TYR A 62 11.661 7.428 -5.133 1.00 0.00 N ATOM 951 CA TYR A 62 12.676 6.643 -5.828 1.00 0.00 C ATOM 952 C TYR A 62 12.082 5.905 -7.037 1.00 0.00 C ATOM 953 O TYR A 62 12.553 6.091 -8.159 1.00 0.00 O ATOM 954 CB TYR A 62 13.355 5.658 -4.871 1.00 0.00 C ATOM 955 CG TYR A 62 14.753 6.069 -4.466 1.00 0.00 C ATOM 956 CD1 TYR A 62 15.851 5.732 -5.247 1.00 0.00 C ATOM 957 CD2 TYR A 62 14.975 6.793 -3.301 1.00 0.00 C ATOM 958 CE1 TYR A 62 17.130 6.105 -4.880 1.00 0.00 C ATOM 959 CE2 TYR A 62 16.250 7.170 -2.926 1.00 0.00 C ATOM 960 CZ TYR A 62 17.324 6.824 -3.719 1.00 0.00 C ATOM 961 OH TYR A 62 18.596 7.196 -3.350 1.00 0.00 O ATOM 0 H TYR A 62 11.054 6.886 -4.518 1.00 0.00 H new ATOM 0 HA TYR A 62 13.432 7.335 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.742 5.555 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.397 4.677 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 62 15.703 5.169 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.136 7.066 -2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.973 5.835 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.405 7.732 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 62 18.559 7.697 -2.509 1.00 0.00 H new ATOM 971 N PRO A 63 11.031 5.069 -6.849 1.00 0.00 N ATOM 972 CA PRO A 63 10.399 4.797 -5.560 1.00 0.00 C ATOM 973 C PRO A 63 10.971 3.553 -4.883 1.00 0.00 C ATOM 974 O PRO A 63 11.747 2.812 -5.484 1.00 0.00 O ATOM 975 CB PRO A 63 8.949 4.566 -5.964 1.00 0.00 C ATOM 976 CG PRO A 63 9.029 3.922 -7.312 1.00 0.00 C ATOM 977 CD PRO A 63 10.356 4.320 -7.922 1.00 0.00 C ATOM 0 HA PRO A 63 10.548 5.598 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.436 3.924 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.395 5.504 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.956 2.838 -7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.202 4.248 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.934 3.447 -8.224 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.218 4.934 -8.812 1.00 0.00 H new ATOM 985 N MET A 64 10.584 3.333 -3.630 1.00 0.00 N ATOM 986 CA MET A 64 11.063 2.183 -2.870 1.00 0.00 C ATOM 987 C MET A 64 10.512 0.875 -3.434 1.00 0.00 C ATOM 988 O MET A 64 11.123 -0.185 -3.281 1.00 0.00 O ATOM 989 CB MET A 64 10.666 2.323 -1.399 1.00 0.00 C ATOM 990 CG MET A 64 11.514 1.484 -0.458 1.00 0.00 C ATOM 991 SD MET A 64 13.015 2.333 0.067 1.00 0.00 S ATOM 992 CE MET A 64 12.537 2.887 1.702 1.00 0.00 C ATOM 0 H MET A 64 9.940 3.936 -3.119 1.00 0.00 H new ATOM 0 HA MET A 64 12.150 2.157 -2.952 1.00 0.00 H new ATOM 0 HB2 MET A 64 10.744 3.371 -1.108 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.620 2.037 -1.285 1.00 0.00 H new ATOM 0 HG2 MET A 64 10.924 1.221 0.420 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.783 0.551 -0.952 1.00 0.00 H new ATOM 0 HE1 MET A 64 12.712 3.959 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 64 11.479 2.678 1.862 1.00 0.00 H new ATOM 0 HE3 MET A 64 13.128 2.361 2.452 1.00 0.00 H new ATOM 1002 N SER A 65 9.355 0.955 -4.081 1.00 0.00 N ATOM 1003 CA SER A 65 8.718 -0.226 -4.655 1.00 0.00 C ATOM 1004 C SER A 65 9.621 -0.892 -5.689 1.00 0.00 C ATOM 1005 O SER A 65 9.414 -2.051 -6.049 1.00 0.00 O ATOM 1006 CB SER A 65 7.380 0.149 -5.296 1.00 0.00 C ATOM 1007 OG SER A 65 7.372 1.505 -5.705 1.00 0.00 O ATOM 0 H SER A 65 8.839 1.824 -4.222 1.00 0.00 H new ATOM 0 HA SER A 65 8.541 -0.936 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.192 -0.494 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.572 -0.024 -4.586 1.00 0.00 H new ATOM 0 HG SER A 65 6.671 1.640 -6.377 1.00 0.00 H new ATOM 1013 N LYS A 66 10.621 -0.155 -6.167 1.00 0.00 N ATOM 1014 CA LYS A 66 11.550 -0.686 -7.159 1.00 0.00 C ATOM 1015 C LYS A 66 12.271 -1.916 -6.616 1.00 0.00 C ATOM 1016 O LYS A 66 12.559 -2.853 -7.358 1.00 0.00 O ATOM 1017 CB LYS A 66 12.565 0.383 -7.573 1.00 0.00 C ATOM 1018 CG LYS A 66 13.624 0.667 -6.519 1.00 0.00 C ATOM 1019 CD LYS A 66 14.740 1.535 -7.073 1.00 0.00 C ATOM 1020 CE LYS A 66 16.055 1.280 -6.353 1.00 0.00 C ATOM 1021 NZ LYS A 66 16.908 0.303 -7.085 1.00 0.00 N ATOM 0 H LYS A 66 10.808 0.807 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 66 10.977 -0.980 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.057 0.066 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.033 1.307 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.165 1.164 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.039 -0.273 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.863 1.336 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.468 2.586 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.595 2.220 -6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.853 0.905 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.795 0.156 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.403 -0.602 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.122 0.672 -8.034 1.00 0.00 H new ATOM 1035 N GLU A 67 12.548 -1.905 -5.317 1.00 0.00 N ATOM 1036 CA GLU A 67 13.206 -3.030 -4.665 1.00 0.00 C ATOM 1037 C GLU A 67 12.169 -4.019 -4.148 1.00 0.00 C ATOM 1038 O GLU A 67 12.452 -5.207 -3.971 1.00 0.00 O ATOM 1039 CB GLU A 67 14.085 -2.540 -3.513 1.00 0.00 C ATOM 1040 CG GLU A 67 15.477 -2.112 -3.952 1.00 0.00 C ATOM 1041 CD GLU A 67 16.538 -2.439 -2.920 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.908 -3.627 -2.804 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.000 -1.509 -2.228 1.00 0.00 O ATOM 0 H GLU A 67 12.327 -1.128 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 67 13.838 -3.533 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.593 -1.700 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.174 -3.334 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.725 -2.605 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.480 -1.039 -4.144 1.00 0.00 H new ATOM 1050 N ARG A 68 10.953 -3.523 -3.941 1.00 0.00 N ATOM 1051 CA ARG A 68 9.859 -4.356 -3.462 1.00 0.00 C ATOM 1052 C ARG A 68 9.542 -5.472 -4.458 1.00 0.00 C ATOM 1053 O ARG A 68 9.394 -6.630 -4.072 1.00 0.00 O ATOM 1054 CB ARG A 68 8.610 -3.504 -3.222 1.00 0.00 C ATOM 1055 CG ARG A 68 8.428 -3.079 -1.772 1.00 0.00 C ATOM 1056 CD ARG A 68 9.330 -1.909 -1.413 1.00 0.00 C ATOM 1057 NE ARG A 68 8.806 -1.138 -0.288 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.812 -1.569 0.970 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.313 -2.762 1.264 1.00 0.00 N ATOM 1060 NH2 ARG A 68 8.319 -0.807 1.936 1.00 0.00 N ATOM 0 H ARG A 68 10.702 -2.547 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 68 10.169 -4.811 -2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.663 -2.613 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.731 -4.066 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.388 -2.802 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.646 -3.921 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.324 -2.281 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.440 -1.257 -2.279 1.00 0.00 H new ATOM 0 HE ARG A 68 8.413 -0.216 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.695 -3.351 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.316 -3.090 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.934 0.111 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.324 -1.139 2.900 1.00 0.00 H new ATOM 1074 N ILE A 69 9.448 -5.117 -5.740 1.00 0.00 N ATOM 1075 CA ILE A 69 9.130 -6.090 -6.786 1.00 0.00 C ATOM 1076 C ILE A 69 10.092 -7.284 -6.770 1.00 0.00 C ATOM 1077 O ILE A 69 9.651 -8.430 -6.695 1.00 0.00 O ATOM 1078 CB ILE A 69 9.131 -5.444 -8.188 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.230 -4.207 -8.205 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.678 -6.447 -9.239 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.806 -3.049 -8.989 1.00 0.00 C ATOM 0 H ILE A 69 9.587 -4.165 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 69 8.125 -6.452 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 69 10.149 -5.135 -8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.263 -4.478 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.048 -3.886 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.685 -5.974 -10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.356 -7.301 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.668 -6.786 -9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.113 -2.208 -8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.759 -2.751 -8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.962 -3.352 -10.024 1.00 0.00 H new ATOM 1093 N PRO A 70 11.422 -7.047 -6.842 1.00 0.00 N ATOM 1094 CA PRO A 70 12.416 -8.129 -6.840 1.00 0.00 C ATOM 1095 C PRO A 70 12.217 -9.107 -5.684 1.00 0.00 C ATOM 1096 O PRO A 70 12.414 -10.313 -5.839 1.00 0.00 O ATOM 1097 CB PRO A 70 13.748 -7.392 -6.687 1.00 0.00 C ATOM 1098 CG PRO A 70 13.497 -6.040 -7.256 1.00 0.00 C ATOM 1099 CD PRO A 70 12.061 -5.720 -6.943 1.00 0.00 C ATOM 0 HA PRO A 70 12.349 -8.738 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.050 -7.332 -5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.548 -7.904 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.167 -5.301 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.674 -6.030 -8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.969 -5.159 -6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.605 -5.115 -7.727 1.00 0.00 H new ATOM 1107 N GLU A 71 11.825 -8.585 -4.528 1.00 0.00 N ATOM 1108 CA GLU A 71 11.612 -9.410 -3.352 1.00 0.00 C ATOM 1109 C GLU A 71 10.360 -10.277 -3.494 1.00 0.00 C ATOM 1110 O GLU A 71 10.428 -11.506 -3.408 1.00 0.00 O ATOM 1111 CB GLU A 71 11.490 -8.513 -2.124 1.00 0.00 C ATOM 1112 CG GLU A 71 12.094 -9.119 -0.871 1.00 0.00 C ATOM 1113 CD GLU A 71 11.283 -10.282 -0.334 1.00 0.00 C ATOM 1114 OE1 GLU A 71 10.037 -10.206 -0.373 1.00 0.00 O ATOM 1115 OE2 GLU A 71 11.894 -11.267 0.130 1.00 0.00 O ATOM 0 H GLU A 71 11.649 -7.591 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 71 12.465 -10.079 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.978 -7.560 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.437 -8.299 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.107 -9.457 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.173 -8.350 -0.102 1.00 0.00 H new ATOM 1122 N THR A 72 9.218 -9.630 -3.703 1.00 0.00 N ATOM 1123 CA THR A 72 7.950 -10.341 -3.830 1.00 0.00 C ATOM 1124 C THR A 72 7.983 -11.339 -4.982 1.00 0.00 C ATOM 1125 O THR A 72 7.330 -12.379 -4.925 1.00 0.00 O ATOM 1126 CB THR A 72 6.797 -9.356 -4.032 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.250 -8.019 -3.918 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.670 -9.544 -3.041 1.00 0.00 C ATOM 0 H THR A 72 9.144 -8.616 -3.788 1.00 0.00 H new ATOM 0 HA THR A 72 7.792 -10.892 -2.903 1.00 0.00 H new ATOM 0 HB THR A 72 6.418 -9.559 -5.034 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.497 -7.406 -4.052 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.885 -8.814 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.263 -10.550 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.048 -9.403 -2.029 1.00 0.00 H new ATOM 1136 N VAL A 73 8.736 -11.019 -6.031 1.00 0.00 N ATOM 1137 CA VAL A 73 8.832 -11.905 -7.185 1.00 0.00 C ATOM 1138 C VAL A 73 9.683 -13.124 -6.859 1.00 0.00 C ATOM 1139 O VAL A 73 9.495 -14.195 -7.437 1.00 0.00 O ATOM 1140 CB VAL A 73 9.401 -11.185 -8.425 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.894 -10.938 -8.275 1.00 0.00 C ATOM 1142 CG2 VAL A 73 9.109 -11.986 -9.685 1.00 0.00 C ATOM 0 H VAL A 73 9.283 -10.161 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 73 7.818 -12.227 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 73 8.910 -10.216 -8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.270 -10.429 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.074 -10.317 -7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.410 -11.891 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.517 -11.464 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.569 -12.971 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.031 -12.098 -9.804 1.00 0.00 H new ATOM 1152 N LYS A 74 10.597 -12.966 -5.906 1.00 0.00 N ATOM 1153 CA LYS A 74 11.425 -14.078 -5.465 1.00 0.00 C ATOM 1154 C LYS A 74 10.528 -15.193 -4.952 1.00 0.00 C ATOM 1155 O LYS A 74 10.674 -16.354 -5.338 1.00 0.00 O ATOM 1156 CB LYS A 74 12.387 -13.628 -4.364 1.00 0.00 C ATOM 1157 CG LYS A 74 13.853 -13.834 -4.710 1.00 0.00 C ATOM 1158 CD LYS A 74 14.513 -12.535 -5.145 1.00 0.00 C ATOM 1159 CE LYS A 74 15.890 -12.779 -5.741 1.00 0.00 C ATOM 1160 NZ LYS A 74 16.939 -11.958 -5.074 1.00 0.00 N ATOM 0 H LYS A 74 10.781 -12.084 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 74 12.016 -14.440 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.217 -12.572 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.159 -14.174 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.378 -14.238 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.939 -14.572 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.882 -12.034 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.600 -11.866 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.143 -13.835 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.871 -12.547 -6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.863 -12.154 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.712 -10.949 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.976 -12.197 -4.062 1.00 0.00 H new ATOM 1174 N LYS A 75 9.557 -14.814 -4.127 1.00 0.00 N ATOM 1175 CA LYS A 75 8.586 -15.767 -3.599 1.00 0.00 C ATOM 1176 C LYS A 75 7.387 -15.892 -4.543 1.00 0.00 C ATOM 1177 O LYS A 75 7.241 -16.895 -5.241 1.00 0.00 O ATOM 1178 CB LYS A 75 8.124 -15.356 -2.195 1.00 0.00 C ATOM 1179 CG LYS A 75 7.873 -13.865 -2.031 1.00 0.00 C ATOM 1180 CD LYS A 75 8.919 -13.216 -1.140 1.00 0.00 C ATOM 1181 CE LYS A 75 8.335 -12.823 0.208 1.00 0.00 C ATOM 1182 NZ LYS A 75 9.239 -13.184 1.333 1.00 0.00 N ATOM 0 H LYS A 75 9.421 -13.854 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 75 9.072 -16.740 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.208 -15.896 -1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.877 -15.668 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.879 -13.385 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.882 -13.707 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.750 -13.905 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.323 -12.332 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.148 -11.749 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.372 -13.316 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.804 -12.899 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.397 -14.212 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.149 -12.694 1.218 1.00 0.00 H new ATOM 1196 N LEU A 76 6.523 -14.875 -4.550 1.00 0.00 N ATOM 1197 CA LEU A 76 5.362 -14.861 -5.436 1.00 0.00 C ATOM 1198 C LEU A 76 5.651 -14.028 -6.682 1.00 0.00 C ATOM 1199 O LEU A 76 6.343 -14.478 -7.596 1.00 0.00 O ATOM 1200 CB LEU A 76 4.131 -14.305 -4.708 1.00 0.00 C ATOM 1201 CG LEU A 76 4.425 -13.258 -3.632 1.00 0.00 C ATOM 1202 CD1 LEU A 76 3.429 -12.111 -3.719 1.00 0.00 C ATOM 1203 CD2 LEU A 76 4.395 -13.890 -2.250 1.00 0.00 C ATOM 0 H LEU A 76 6.607 -14.053 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 76 5.154 -15.887 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.461 -13.865 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.596 -15.135 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 76 5.425 -12.858 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.653 -11.375 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.501 -11.641 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.419 -12.494 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.606 -13.130 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.409 -14.318 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.148 -14.676 -2.193 1.00 0.00 H new ATOM 1215 N GLY A 77 5.124 -12.807 -6.702 1.00 0.00 N ATOM 1216 CA GLY A 77 5.348 -11.911 -7.817 1.00 0.00 C ATOM 1217 C GLY A 77 5.445 -10.468 -7.370 1.00 0.00 C ATOM 1218 O GLY A 77 6.540 -9.941 -7.175 1.00 0.00 O ATOM 0 H GLY A 77 4.542 -12.422 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.266 -12.194 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.535 -12.015 -8.535 1.00 0.00 H new ATOM 1222 N HIS A 78 4.297 -9.813 -7.246 1.00 0.00 N ATOM 1223 CA HIS A 78 4.253 -8.426 -6.798 1.00 0.00 C ATOM 1224 C HIS A 78 2.983 -8.147 -6.002 1.00 0.00 C ATOM 1225 O HIS A 78 1.969 -8.824 -6.177 1.00 0.00 O ATOM 1226 CB HIS A 78 4.341 -7.473 -7.994 1.00 0.00 C ATOM 1227 CG HIS A 78 4.016 -8.121 -9.305 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.720 -8.417 -9.656 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.846 -8.513 -10.302 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.787 -8.975 -10.851 1.00 0.00 C ATOM 1231 NE2 HIS A 78 4.054 -9.055 -11.282 1.00 0.00 N ATOM 0 H HIS A 78 3.384 -10.220 -7.449 1.00 0.00 H new ATOM 0 HA HIS A 78 5.111 -8.258 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.660 -6.638 -7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.348 -7.058 -8.043 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.922 -8.417 -10.321 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.931 -9.323 -11.410 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.369 -9.445 -12.170 1.00 0.00 H new ATOM 1239 N GLU A 79 3.035 -7.135 -5.142 1.00 0.00 N ATOM 1240 CA GLU A 79 1.882 -6.730 -4.365 1.00 0.00 C ATOM 1241 C GLU A 79 1.302 -5.459 -4.970 1.00 0.00 C ATOM 1242 O GLU A 79 1.416 -4.377 -4.402 1.00 0.00 O ATOM 1243 CB GLU A 79 2.284 -6.497 -2.907 1.00 0.00 C ATOM 1244 CG GLU A 79 3.763 -6.727 -2.629 1.00 0.00 C ATOM 1245 CD GLU A 79 4.022 -7.227 -1.221 1.00 0.00 C ATOM 1246 OE1 GLU A 79 3.639 -8.377 -0.920 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.614 -6.472 -0.422 1.00 0.00 O ATOM 0 H GLU A 79 3.873 -6.580 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 79 1.128 -7.517 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.027 -5.475 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.698 -7.158 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.155 -7.449 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.307 -5.796 -2.785 1.00 0.00 H new ATOM 1254 N VAL A 80 0.722 -5.595 -6.158 1.00 0.00 N ATOM 1255 CA VAL A 80 0.205 -4.446 -6.889 1.00 0.00 C ATOM 1256 C VAL A 80 -1.299 -4.288 -6.708 1.00 0.00 C ATOM 1257 O VAL A 80 -2.075 -5.182 -7.042 1.00 0.00 O ATOM 1258 CB VAL A 80 0.515 -4.555 -8.396 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.894 -3.196 -8.962 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.617 -5.574 -8.652 1.00 0.00 C ATOM 0 H VAL A 80 0.599 -6.489 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 80 0.705 -3.570 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.385 -4.899 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.109 -3.292 -10.026 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.067 -2.500 -8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.777 -2.820 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.817 -5.632 -9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.523 -5.269 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.300 -6.552 -8.288 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.697 -3.131 -6.192 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.104 -2.825 -5.981 1.00 0.00 C ATOM 1272 C LEU A 81 -3.400 -1.381 -6.349 1.00 0.00 C ATOM 1273 O LEU A 81 -4.467 -1.076 -6.880 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.516 -3.092 -4.529 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.729 -2.308 -3.479 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -3.431 -2.353 -2.132 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -1.326 -2.862 -3.359 1.00 0.00 C ATOM 0 H LEU A 81 -1.059 -2.386 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.686 -3.480 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.574 -2.856 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.403 -4.157 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.672 -1.267 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.852 -1.788 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.425 -1.915 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.520 -3.388 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.774 -2.296 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.373 -3.910 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.819 -2.780 -4.320 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.446 -0.492 -6.083 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.634 0.919 -6.409 1.00 0.00 C ATOM 1291 C GLU A 82 -1.309 1.629 -6.658 1.00 0.00 C ATOM 1292 O GLU A 82 -0.308 1.360 -5.996 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.413 1.622 -5.306 1.00 0.00 C ATOM 1294 CG GLU A 82 -3.419 3.138 -5.423 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.811 3.702 -5.633 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -5.745 3.252 -4.937 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.967 4.593 -6.494 1.00 0.00 O ATOM 0 H GLU A 82 -1.550 -0.718 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.208 0.964 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.442 1.263 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.988 1.344 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.989 3.570 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.781 3.437 -6.255 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.324 2.539 -7.627 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.147 3.330 -7.977 1.00 0.00 C ATOM 1306 C ILE A 83 -0.560 4.744 -8.376 1.00 0.00 C ATOM 1307 O ILE A 83 -1.528 4.928 -9.115 1.00 0.00 O ATOM 1308 CB ILE A 83 0.647 2.692 -9.137 1.00 0.00 C ATOM 1309 CG1 ILE A 83 1.034 1.252 -8.793 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.888 3.515 -9.450 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.159 0.215 -9.460 1.00 0.00 C ATOM 0 H ILE A 83 -2.148 2.749 -8.190 1.00 0.00 H new ATOM 0 HA ILE A 83 0.494 3.362 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 83 0.011 2.677 -10.022 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.070 1.083 -9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.982 1.119 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.435 3.050 -10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.593 4.524 -9.737 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.526 3.561 -8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.491 -0.782 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.876 0.357 -9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.230 0.321 -10.543 1.00 0.00 H new ATOM 1323 N GLU A 84 0.167 5.740 -7.880 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.147 7.131 -8.183 1.00 0.00 C ATOM 1325 C GLU A 84 1.068 8.027 -7.987 1.00 0.00 C ATOM 1326 O GLU A 84 2.145 7.564 -7.609 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.301 7.614 -7.301 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.025 7.487 -5.812 1.00 0.00 C ATOM 1329 CD GLU A 84 -1.568 8.658 -5.016 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -0.857 9.678 -4.901 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.705 8.555 -4.512 1.00 0.00 O ATOM 0 H GLU A 84 0.974 5.611 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.445 7.188 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.513 8.657 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.197 7.044 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.469 6.563 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.050 7.410 -5.651 1.00 0.00 H new ATOM 1338 N GLU A 85 0.880 9.315 -8.242 1.00 0.00 N ATOM 1339 CA GLU A 85 1.952 10.293 -8.096 1.00 0.00 C ATOM 1340 C GLU A 85 1.457 11.521 -7.340 1.00 0.00 C ATOM 1341 O GLU A 85 0.253 11.752 -7.234 1.00 0.00 O ATOM 1342 CB GLU A 85 2.487 10.705 -9.470 1.00 0.00 C ATOM 1343 CG GLU A 85 1.400 11.128 -10.445 1.00 0.00 C ATOM 1344 CD GLU A 85 1.917 12.045 -11.535 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.972 11.729 -12.126 1.00 0.00 O ATOM 1346 OE2 GLU A 85 1.269 13.079 -11.798 1.00 0.00 O ATOM 0 H GLU A 85 -0.008 9.709 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 85 2.759 9.834 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.191 11.528 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.044 9.872 -9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.961 10.240 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.604 11.633 -9.898 1.00 0.00 H new ATOM 1353 N VAL A 86 2.392 12.300 -6.806 1.00 0.00 N ATOM 1354 CA VAL A 86 2.046 13.495 -6.046 1.00 0.00 C ATOM 1355 C VAL A 86 2.653 14.746 -6.673 1.00 0.00 C ATOM 1356 O VAL A 86 1.934 15.646 -7.107 1.00 0.00 O ATOM 1357 CB VAL A 86 2.518 13.389 -4.582 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.676 14.283 -3.682 1.00 0.00 C ATOM 1359 CG2 VAL A 86 2.469 11.945 -4.104 1.00 0.00 C ATOM 0 H VAL A 86 3.394 12.125 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 86 0.959 13.574 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 86 3.552 13.729 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.024 14.195 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.769 15.319 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.632 13.977 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.806 11.893 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.446 11.574 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.119 11.333 -4.729 1.00 0.00 H new ATOM 1369 N GLY A 87 3.982 14.797 -6.713 1.00 0.00 N ATOM 1370 CA GLY A 87 4.663 15.949 -7.278 1.00 0.00 C ATOM 1371 C GLY A 87 5.643 15.573 -8.376 1.00 0.00 C ATOM 1372 O GLY A 87 5.406 14.622 -9.120 1.00 0.00 O ATOM 0 H GLY A 87 4.598 14.063 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.923 16.642 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.196 16.475 -6.486 1.00 0.00 H new ATOM 1376 N PRO A 88 6.763 16.311 -8.503 1.00 0.00 N ATOM 1377 CA PRO A 88 7.773 16.050 -9.534 1.00 0.00 C ATOM 1378 C PRO A 88 8.324 14.627 -9.466 1.00 0.00 C ATOM 1379 O PRO A 88 7.867 13.742 -10.190 1.00 0.00 O ATOM 1380 CB PRO A 88 8.878 17.068 -9.228 1.00 0.00 C ATOM 1381 CG PRO A 88 8.203 18.146 -8.454 1.00 0.00 C ATOM 1382 CD PRO A 88 7.120 17.470 -7.663 1.00 0.00 C ATOM 0 HA PRO A 88 7.357 16.145 -10.537 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.685 16.614 -8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.321 17.458 -10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.908 18.654 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.786 18.902 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.473 17.161 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.267 18.129 -7.503 1.00 0.00 H new ATOM 1390 N SER A 89 9.313 14.414 -8.601 1.00 0.00 N ATOM 1391 CA SER A 89 9.931 13.101 -8.454 1.00 0.00 C ATOM 1392 C SER A 89 9.307 12.325 -7.302 1.00 0.00 C ATOM 1393 O SER A 89 9.659 11.172 -7.053 1.00 0.00 O ATOM 1394 CB SER A 89 11.437 13.245 -8.230 1.00 0.00 C ATOM 1395 OG SER A 89 11.781 14.582 -7.909 1.00 0.00 O ATOM 0 H SER A 89 9.702 15.134 -7.992 1.00 0.00 H new ATOM 0 HA SER A 89 9.757 12.545 -9.375 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.753 12.582 -7.425 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.972 12.934 -9.127 1.00 0.00 H new ATOM 0 HG SER A 89 12.749 14.646 -7.769 1.00 0.00 H new ATOM 1401 N GLU A 90 8.383 12.967 -6.602 1.00 0.00 N ATOM 1402 CA GLU A 90 7.697 12.340 -5.478 1.00 0.00 C ATOM 1403 C GLU A 90 6.396 11.690 -5.935 1.00 0.00 C ATOM 1404 O GLU A 90 5.624 12.290 -6.683 1.00 0.00 O ATOM 1405 CB GLU A 90 7.411 13.371 -4.384 1.00 0.00 C ATOM 1406 CG GLU A 90 6.899 14.699 -4.917 1.00 0.00 C ATOM 1407 CD GLU A 90 6.487 15.652 -3.813 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.318 15.922 -2.920 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.333 16.130 -3.841 1.00 0.00 O ATOM 0 H GLU A 90 8.089 13.925 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 90 8.348 11.566 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.676 12.959 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.323 13.546 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.675 15.166 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.047 14.519 -5.573 1.00 0.00 H new ATOM 1416 N TRP A 91 6.162 10.460 -5.492 1.00 0.00 N ATOM 1417 CA TRP A 91 4.956 9.733 -5.867 1.00 0.00 C ATOM 1418 C TRP A 91 4.480 8.837 -4.730 1.00 0.00 C ATOM 1419 O TRP A 91 5.191 8.633 -3.744 1.00 0.00 O ATOM 1420 CB TRP A 91 5.202 8.895 -7.125 1.00 0.00 C ATOM 1421 CG TRP A 91 6.644 8.553 -7.348 1.00 0.00 C ATOM 1422 CD1 TRP A 91 7.440 7.786 -6.546 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.463 8.967 -8.448 1.00 0.00 C ATOM 1424 NE1 TRP A 91 8.704 7.698 -7.080 1.00 0.00 N ATOM 1425 CE2 TRP A 91 8.743 8.416 -8.247 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.239 9.752 -9.584 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 9.792 8.623 -9.139 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.281 9.957 -10.468 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.544 9.395 -10.242 1.00 0.00 C ATOM 0 H TRP A 91 6.790 9.947 -4.874 1.00 0.00 H new ATOM 0 HA TRP A 91 4.177 10.466 -6.077 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.626 7.973 -7.055 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.828 9.439 -7.992 1.00 0.00 H new ATOM 0 HD1 TRP A 91 7.123 7.317 -5.626 1.00 0.00 H new ATOM 0 HE1 TRP A 91 9.485 7.183 -6.674 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.269 10.190 -9.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.766 8.190 -8.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.119 10.561 -11.348 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.338 9.574 -10.952 1.00 0.00 H new ATOM 1440 N LYS A 92 3.270 8.308 -4.875 1.00 0.00 N ATOM 1441 CA LYS A 92 2.694 7.428 -3.870 1.00 0.00 C ATOM 1442 C LYS A 92 2.372 6.067 -4.473 1.00 0.00 C ATOM 1443 O LYS A 92 1.703 5.978 -5.501 1.00 0.00 O ATOM 1444 CB LYS A 92 1.427 8.050 -3.279 1.00 0.00 C ATOM 1445 CG LYS A 92 1.690 8.923 -2.062 1.00 0.00 C ATOM 1446 CD LYS A 92 0.397 9.316 -1.367 1.00 0.00 C ATOM 1447 CE LYS A 92 0.664 10.072 -0.076 1.00 0.00 C ATOM 1448 NZ LYS A 92 -0.495 10.916 0.325 1.00 0.00 N ATOM 0 H LYS A 92 2.669 8.475 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 92 3.426 7.294 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.934 8.648 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.736 7.254 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.332 8.389 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.228 9.821 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.202 9.935 -2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.187 8.422 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.888 9.362 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.545 10.701 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.272 11.415 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.694 11.611 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.330 10.313 0.469 1.00 0.00 H new ATOM 1462 N ILE A 93 2.852 5.013 -3.829 1.00 0.00 N ATOM 1463 CA ILE A 93 2.628 3.658 -4.314 1.00 0.00 C ATOM 1464 C ILE A 93 1.995 2.793 -3.234 1.00 0.00 C ATOM 1465 O ILE A 93 2.288 2.947 -2.049 1.00 0.00 O ATOM 1466 CB ILE A 93 3.945 3.002 -4.777 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.679 3.917 -5.760 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.673 1.646 -5.411 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.631 4.883 -5.092 1.00 0.00 C ATOM 0 H ILE A 93 3.399 5.069 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 93 1.950 3.731 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 93 4.581 2.850 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.235 3.303 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.945 4.482 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.614 1.199 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.191 0.994 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.019 1.772 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.115 5.499 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.078 5.522 -4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.388 4.325 -4.540 1.00 0.00 H new ATOM 1481 N TYR A 94 1.126 1.880 -3.652 1.00 0.00 N ATOM 1482 CA TYR A 94 0.456 0.983 -2.723 1.00 0.00 C ATOM 1483 C TYR A 94 0.819 -0.462 -3.025 1.00 0.00 C ATOM 1484 O TYR A 94 0.660 -0.929 -4.160 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.063 1.161 -2.791 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.548 2.481 -2.232 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.208 3.684 -2.839 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.348 2.524 -1.097 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -1.649 4.890 -2.330 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -2.793 3.727 -0.582 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.441 4.907 -1.203 1.00 0.00 C ATOM 1492 OH TYR A 94 -2.881 6.107 -0.693 1.00 0.00 O ATOM 0 H TYR A 94 0.870 1.743 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 94 0.791 1.232 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.383 1.077 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.540 0.348 -2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.589 3.676 -3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.627 1.602 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.374 5.816 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.413 3.743 0.302 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.676 6.151 0.264 1.00 0.00 H new ATOM 1502 N ILE A 95 1.243 -1.175 -1.982 1.00 0.00 N ATOM 1503 CA ILE A 95 1.637 -2.572 -2.098 1.00 0.00 C ATOM 1504 C ILE A 95 0.816 -3.409 -1.125 1.00 0.00 C ATOM 1505 O ILE A 95 0.463 -2.938 -0.046 1.00 0.00 O ATOM 1506 CB ILE A 95 3.154 -2.750 -1.825 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.858 -3.297 -3.069 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.405 -3.666 -0.634 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.985 -2.288 -4.190 1.00 0.00 C ATOM 0 H ILE A 95 1.322 -0.799 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 95 1.445 -2.908 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 95 3.564 -1.769 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.853 -3.643 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.309 -4.165 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.478 -3.767 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.943 -3.240 0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.974 -4.647 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.494 -2.748 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.992 -1.959 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.560 -1.430 -3.843 1.00 0.00 H new ATOM 1521 N LYS A 96 0.431 -4.611 -1.543 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.418 -5.452 -0.704 1.00 0.00 C ATOM 1523 C LYS A 96 -0.062 -6.928 -0.840 1.00 0.00 C ATOM 1524 O LYS A 96 -0.312 -7.548 -1.875 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.893 -5.225 -1.061 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.810 -6.389 -0.714 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.599 -6.850 -1.928 1.00 0.00 C ATOM 1528 CE LYS A 96 -5.026 -6.328 -1.894 1.00 0.00 C ATOM 1529 NZ LYS A 96 -5.957 -7.297 -1.252 1.00 0.00 N ATOM 0 H LYS A 96 0.687 -5.020 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.249 -5.169 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.246 -4.333 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.969 -5.025 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.218 -7.218 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.497 -6.090 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.106 -6.505 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.609 -7.939 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.054 -5.383 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.361 -6.121 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.725 -6.779 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.359 -7.925 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.439 -7.864 -0.551 1.00 0.00 H new ATOM 1543 N VAL A 97 0.504 -7.489 0.224 1.00 0.00 N ATOM 1544 CA VAL A 97 0.865 -8.900 0.242 1.00 0.00 C ATOM 1545 C VAL A 97 -0.376 -9.766 0.061 1.00 0.00 C ATOM 1546 O VAL A 97 -1.302 -9.712 0.871 1.00 0.00 O ATOM 1547 CB VAL A 97 1.563 -9.290 1.560 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.309 -10.607 1.405 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.506 -8.187 2.016 1.00 0.00 C ATOM 0 H VAL A 97 0.722 -6.987 1.085 1.00 0.00 H new ATOM 0 HA VAL A 97 1.559 -9.068 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 97 0.798 -9.421 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.794 -10.863 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.605 -11.394 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.063 -10.509 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.988 -8.483 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.265 -8.018 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.941 -7.268 2.175 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.397 -10.547 -1.016 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.531 -11.416 -1.311 1.00 0.00 C ATOM 1561 C LYS A 98 -1.448 -12.711 -0.510 1.00 0.00 C ATOM 1562 O LYS A 98 -2.332 -12.935 0.343 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.580 -11.733 -2.808 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.989 -11.760 -3.378 1.00 0.00 C ATOM 1565 CD LYS A 98 -3.512 -10.356 -3.635 1.00 0.00 C ATOM 1566 CE LYS A 98 -4.815 -10.103 -2.893 1.00 0.00 C ATOM 1567 NZ LYS A 98 -5.928 -9.774 -3.824 1.00 0.00 N ATOM 1568 OXT LYS A 98 -0.501 -13.491 -0.744 1.00 0.00 O ATOM 0 H LYS A 98 0.359 -10.595 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.443 -10.891 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.993 -10.990 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.108 -12.700 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.996 -12.328 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.653 -12.276 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.766 -9.626 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.668 -10.214 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.078 -10.986 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.678 -9.284 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.799 -9.608 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.688 -8.917 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.076 -10.566 -4.481 1.00 0.00 H new