USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 86 THR OG1 : rot -177:sc= -1.53 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.339 K(o=-1.9,f=-4.8!) USER MOD Single : A 31 LYS NZ :NH3+ 139:sc= 0 (180deg=-0.0146) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= 0.0851 (180deg=-0.271) USER MOD Single : A 39 THR OG1 : rot -179:sc= 1.14 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.33) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.96) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 1 (180deg=0.447) USER MOD Single : A 62 SER OG : rot 139:sc= 0.0179 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 36:sc= 0.656 USER MOD Single : A 68 GLN : amide:sc= -3.38 K(o=-3.4,f=-12!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.68 USER MOD Single : A 71 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.6) USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.298) USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= -0.171 (180deg=-0.229) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 90 HIS : no HE2:sc= -0.524 K(o=-0.52,f=-3.5!) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.168 F(o=-1.2,f=-0.17) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS :FLIP no HD1:sc= -0.472 F(o=-1.5,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 7.395 -4.953 -10.552 1.00 0.00 N ATOM 381 CA LYS A 31 8.054 -4.158 -9.481 1.00 0.00 C ATOM 382 C LYS A 31 7.350 -2.806 -9.442 1.00 0.00 C ATOM 383 O LYS A 31 7.891 -1.795 -9.841 1.00 0.00 O ATOM 384 CB LYS A 31 9.511 -4.005 -9.924 1.00 0.00 C ATOM 385 CG LYS A 31 10.252 -5.332 -9.722 1.00 0.00 C ATOM 386 CD LYS A 31 10.667 -5.902 -11.081 1.00 0.00 C ATOM 387 CE LYS A 31 11.981 -6.671 -10.932 1.00 0.00 C ATOM 388 NZ LYS A 31 13.045 -5.630 -11.003 1.00 0.00 N ATOM 0 HA LYS A 31 8.006 -4.613 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.554 -3.709 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.995 -3.215 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.132 -5.177 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.611 -6.042 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.888 -6.562 -11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.785 -5.096 -11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.018 -7.210 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.098 -7.410 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.780 -5.837 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.467 -5.630 -11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.631 -4.696 -10.808 1.00 0.00 H new ATOM 402 N ILE A 32 6.122 -2.797 -9.008 1.00 0.00 N ATOM 403 CA ILE A 32 5.343 -1.534 -8.995 1.00 0.00 C ATOM 404 C ILE A 32 6.055 -0.466 -8.161 1.00 0.00 C ATOM 405 O ILE A 32 6.419 -0.688 -7.023 1.00 0.00 O ATOM 406 CB ILE A 32 4.000 -1.904 -8.364 1.00 0.00 C ATOM 407 CG1 ILE A 32 3.248 -2.844 -9.311 1.00 0.00 C ATOM 408 CG2 ILE A 32 3.166 -0.640 -8.121 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.841 -2.095 -10.585 1.00 0.00 C ATOM 0 H ILE A 32 5.623 -3.616 -8.660 1.00 0.00 H new ATOM 0 HA ILE A 32 5.225 -1.117 -9.995 1.00 0.00 H new ATOM 0 HB ILE A 32 4.171 -2.399 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.878 -3.696 -9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.362 -3.241 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.212 -0.915 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.705 0.028 -7.449 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.988 -0.134 -9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.307 -2.773 -11.251 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.193 -1.258 -10.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.733 -1.720 -11.087 1.00 0.00 H new ATOM 421 N ILE A 33 6.245 0.694 -8.726 1.00 0.00 N ATOM 422 CA ILE A 33 6.925 1.791 -7.974 1.00 0.00 C ATOM 423 C ILE A 33 5.919 2.900 -7.655 1.00 0.00 C ATOM 424 O ILE A 33 5.027 3.184 -8.431 1.00 0.00 O ATOM 425 CB ILE A 33 8.037 2.300 -8.898 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.426 2.956 -10.141 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.925 1.128 -9.325 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.545 3.522 -11.016 1.00 0.00 C ATOM 0 H ILE A 33 5.960 0.932 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 33 7.335 1.450 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 33 8.636 3.037 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.844 2.225 -10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.741 3.751 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.715 1.491 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.369 0.668 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.323 0.390 -9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.114 3.989 -11.901 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.108 4.265 -10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.212 2.716 -11.320 1.00 0.00 H new ATOM 440 N LYS A 34 6.046 3.519 -6.513 1.00 0.00 N ATOM 441 CA LYS A 34 5.088 4.599 -6.137 1.00 0.00 C ATOM 442 C LYS A 34 5.645 5.975 -6.511 1.00 0.00 C ATOM 443 O LYS A 34 6.831 6.223 -6.425 1.00 0.00 O ATOM 444 CB LYS A 34 4.935 4.478 -4.619 1.00 0.00 C ATOM 445 CG LYS A 34 3.575 3.857 -4.288 1.00 0.00 C ATOM 446 CD LYS A 34 3.719 2.337 -4.185 1.00 0.00 C ATOM 447 CE LYS A 34 3.960 1.943 -2.726 1.00 0.00 C ATOM 448 NZ LYS A 34 3.082 0.763 -2.495 1.00 0.00 N ATOM 0 H LYS A 34 6.772 3.324 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 34 4.136 4.498 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.736 3.862 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.020 5.461 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.198 4.262 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.849 4.113 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.819 1.850 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.548 1.997 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.007 1.696 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.709 2.760 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.192 0.435 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.091 1.030 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.349 -0.001 -3.148 1.00 0.00 H new ATOM 462 N VAL A 35 4.789 6.873 -6.920 1.00 0.00 N ATOM 463 CA VAL A 35 5.255 8.240 -7.293 1.00 0.00 C ATOM 464 C VAL A 35 4.309 9.289 -6.701 1.00 0.00 C ATOM 465 O VAL A 35 3.156 9.382 -7.079 1.00 0.00 O ATOM 466 CB VAL A 35 5.224 8.280 -8.825 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.814 7.960 -9.331 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.631 9.678 -9.303 1.00 0.00 C ATOM 0 H VAL A 35 3.785 6.718 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 35 6.253 8.456 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 35 5.920 7.538 -9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.803 7.991 -10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.523 6.965 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.111 8.696 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.610 9.710 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.935 10.416 -8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.638 9.903 -8.953 1.00 0.00 H new ATOM 478 N THR A 36 4.787 10.076 -5.776 1.00 0.00 N ATOM 479 CA THR A 36 3.916 11.117 -5.158 1.00 0.00 C ATOM 480 C THR A 36 3.921 12.385 -6.015 1.00 0.00 C ATOM 481 O THR A 36 4.856 13.162 -5.985 1.00 0.00 O ATOM 482 CB THR A 36 4.539 11.393 -3.788 1.00 0.00 C ATOM 483 OG1 THR A 36 4.722 10.164 -3.099 1.00 0.00 O ATOM 484 CG2 THR A 36 3.615 12.303 -2.979 1.00 0.00 C ATOM 0 H THR A 36 5.743 10.043 -5.421 1.00 0.00 H new ATOM 0 HA THR A 36 2.879 10.793 -5.076 1.00 0.00 H new ATOM 0 HB THR A 36 5.503 11.884 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.122 10.337 -2.222 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.060 12.499 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.476 13.245 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.649 11.815 -2.846 1.00 0.00 H new ATOM 492 N VAL A 37 2.883 12.600 -6.778 1.00 0.00 N ATOM 493 CA VAL A 37 2.829 13.818 -7.635 1.00 0.00 C ATOM 494 C VAL A 37 2.066 14.932 -6.913 1.00 0.00 C ATOM 495 O VAL A 37 0.958 14.737 -6.455 1.00 0.00 O ATOM 496 CB VAL A 37 2.079 13.388 -8.898 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.991 14.567 -9.868 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.829 12.234 -9.569 1.00 0.00 C ATOM 0 H VAL A 37 2.072 11.985 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 37 3.822 14.204 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 37 1.074 13.063 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.457 14.259 -10.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.458 15.390 -9.393 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.996 14.893 -10.137 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.295 11.927 -10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.834 12.560 -9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.892 11.392 -8.880 1.00 0.00 H new ATOM 508 N LYS A 38 2.649 16.095 -6.810 1.00 0.00 N ATOM 509 CA LYS A 38 1.950 17.216 -6.118 1.00 0.00 C ATOM 510 C LYS A 38 1.568 18.303 -7.127 1.00 0.00 C ATOM 511 O LYS A 38 2.405 18.843 -7.824 1.00 0.00 O ATOM 512 CB LYS A 38 2.950 17.753 -5.086 1.00 0.00 C ATOM 513 CG LYS A 38 4.282 18.097 -5.763 1.00 0.00 C ATOM 514 CD LYS A 38 4.741 19.490 -5.318 1.00 0.00 C ATOM 515 CE LYS A 38 4.602 20.476 -6.481 1.00 0.00 C ATOM 516 NZ LYS A 38 3.297 21.157 -6.252 1.00 0.00 N ATOM 0 H LYS A 38 3.576 16.318 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 38 1.026 16.889 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.541 18.640 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.112 17.009 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.036 17.354 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.168 18.070 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.144 19.826 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.778 19.452 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.424 21.191 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.615 19.959 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.369 22.153 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.557 20.686 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.052 21.108 -5.242 1.00 0.00 H new ATOM 530 N THR A 39 0.307 18.622 -7.208 1.00 0.00 N ATOM 531 CA THR A 39 -0.144 19.671 -8.168 1.00 0.00 C ATOM 532 C THR A 39 -0.824 20.810 -7.400 1.00 0.00 C ATOM 533 O THR A 39 -1.116 20.671 -6.230 1.00 0.00 O ATOM 534 CB THR A 39 -1.147 18.961 -9.089 1.00 0.00 C ATOM 535 OG1 THR A 39 -2.333 18.680 -8.362 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.543 17.654 -9.614 1.00 0.00 C ATOM 0 H THR A 39 -0.435 18.200 -6.649 1.00 0.00 H new ATOM 0 HA THR A 39 0.679 20.109 -8.733 1.00 0.00 H new ATOM 0 HB THR A 39 -1.380 19.608 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.970 18.213 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.261 17.157 -10.266 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.366 17.873 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.303 17.001 -8.775 1.00 0.00 H new ATOM 544 N PRO A 40 -1.057 21.906 -8.080 1.00 0.00 N ATOM 545 CA PRO A 40 -1.712 23.068 -7.429 1.00 0.00 C ATOM 546 C PRO A 40 -3.182 22.756 -7.119 1.00 0.00 C ATOM 547 O PRO A 40 -3.847 23.496 -6.421 1.00 0.00 O ATOM 548 CB PRO A 40 -1.589 24.180 -8.468 1.00 0.00 C ATOM 549 CG PRO A 40 -1.452 23.471 -9.775 1.00 0.00 C ATOM 550 CD PRO A 40 -0.746 22.171 -9.491 1.00 0.00 C ATOM 0 HA PRO A 40 -1.258 23.336 -6.475 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.466 24.827 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.724 24.813 -8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.430 23.291 -10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.884 24.073 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.106 21.371 -10.137 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.328 22.255 -9.655 1.00 0.00 H new ATOM 558 N LYS A 41 -3.693 21.665 -7.629 1.00 0.00 N ATOM 559 CA LYS A 41 -5.115 21.307 -7.357 1.00 0.00 C ATOM 560 C LYS A 41 -5.190 20.265 -6.236 1.00 0.00 C ATOM 561 O LYS A 41 -6.024 20.345 -5.356 1.00 0.00 O ATOM 562 CB LYS A 41 -5.635 20.722 -8.672 1.00 0.00 C ATOM 563 CG LYS A 41 -7.055 21.231 -8.931 1.00 0.00 C ATOM 564 CD LYS A 41 -8.048 20.457 -8.056 1.00 0.00 C ATOM 565 CE LYS A 41 -8.736 21.420 -7.086 1.00 0.00 C ATOM 566 NZ LYS A 41 -10.005 21.807 -7.765 1.00 0.00 N ATOM 0 H LYS A 41 -3.186 21.008 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.704 22.165 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.979 21.008 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.631 19.633 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.116 22.297 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.310 21.108 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.791 19.963 -8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.528 19.676 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.931 20.941 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.113 22.292 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.534 22.468 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.787 22.266 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.580 20.958 -7.936 1.00 0.00 H new ATOM 580 N GLU A 42 -4.321 19.287 -6.263 1.00 0.00 N ATOM 581 CA GLU A 42 -4.340 18.238 -5.197 1.00 0.00 C ATOM 582 C GLU A 42 -3.105 17.338 -5.317 1.00 0.00 C ATOM 583 O GLU A 42 -2.502 17.233 -6.367 1.00 0.00 O ATOM 584 CB GLU A 42 -5.617 17.433 -5.453 1.00 0.00 C ATOM 585 CG GLU A 42 -6.641 17.730 -4.354 1.00 0.00 C ATOM 586 CD GLU A 42 -6.592 16.627 -3.295 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.623 16.587 -2.554 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.524 15.842 -3.243 1.00 0.00 O ATOM 0 H GLU A 42 -3.600 19.169 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.324 18.668 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.031 17.689 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.389 16.367 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.429 18.697 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.641 17.793 -4.782 1.00 0.00 H new ATOM 595 N LYS A 43 -2.729 16.687 -4.248 1.00 0.00 N ATOM 596 CA LYS A 43 -1.536 15.790 -4.297 1.00 0.00 C ATOM 597 C LYS A 43 -1.978 14.325 -4.256 1.00 0.00 C ATOM 598 O LYS A 43 -2.593 13.879 -3.306 1.00 0.00 O ATOM 599 CB LYS A 43 -0.726 16.142 -3.048 1.00 0.00 C ATOM 600 CG LYS A 43 -0.253 17.595 -3.140 1.00 0.00 C ATOM 601 CD LYS A 43 0.056 18.120 -1.736 1.00 0.00 C ATOM 602 CE LYS A 43 1.247 19.081 -1.801 1.00 0.00 C ATOM 603 NZ LYS A 43 2.437 18.236 -1.505 1.00 0.00 N ATOM 0 H LYS A 43 -3.196 16.737 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.955 15.922 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.335 16.002 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.131 15.474 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.635 17.661 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.021 18.210 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.816 18.631 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.281 17.289 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.327 19.546 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.144 19.887 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.295 18.823 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.336 17.812 -0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.513 17.481 -2.217 1.00 0.00 H new ATOM 617 N GLU A 44 -1.679 13.573 -5.282 1.00 0.00 N ATOM 618 CA GLU A 44 -2.090 12.138 -5.306 1.00 0.00 C ATOM 619 C GLU A 44 -0.940 11.251 -5.789 1.00 0.00 C ATOM 620 O GLU A 44 -0.271 11.556 -6.758 1.00 0.00 O ATOM 621 CB GLU A 44 -3.255 12.076 -6.294 1.00 0.00 C ATOM 622 CG GLU A 44 -4.579 12.085 -5.528 1.00 0.00 C ATOM 623 CD GLU A 44 -5.704 11.610 -6.451 1.00 0.00 C ATOM 624 OE1 GLU A 44 -6.207 12.425 -7.206 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.042 10.440 -6.385 1.00 0.00 O ATOM 0 H GLU A 44 -1.167 13.891 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.367 11.780 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.212 12.925 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.181 11.175 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.511 11.436 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.793 13.089 -5.162 1.00 0.00 H new ATOM 632 N GLU A 45 -0.716 10.148 -5.127 1.00 0.00 N ATOM 633 CA GLU A 45 0.378 9.230 -5.555 1.00 0.00 C ATOM 634 C GLU A 45 -0.137 8.302 -6.659 1.00 0.00 C ATOM 635 O GLU A 45 -1.320 8.041 -6.756 1.00 0.00 O ATOM 636 CB GLU A 45 0.741 8.430 -4.304 1.00 0.00 C ATOM 637 CG GLU A 45 2.127 7.805 -4.483 1.00 0.00 C ATOM 638 CD GLU A 45 2.500 7.020 -3.224 1.00 0.00 C ATOM 639 OE1 GLU A 45 1.669 6.258 -2.757 1.00 0.00 O ATOM 640 OE2 GLU A 45 3.610 7.194 -2.750 1.00 0.00 O ATOM 0 H GLU A 45 -1.243 9.843 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 45 1.241 9.763 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.733 9.080 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.001 7.651 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.130 7.145 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.867 8.583 -4.672 1.00 0.00 H new ATOM 647 N PHE A 46 0.735 7.808 -7.494 1.00 0.00 N ATOM 648 CA PHE A 46 0.284 6.905 -8.593 1.00 0.00 C ATOM 649 C PHE A 46 1.096 5.607 -8.595 1.00 0.00 C ATOM 650 O PHE A 46 2.311 5.621 -8.604 1.00 0.00 O ATOM 651 CB PHE A 46 0.540 7.694 -9.878 1.00 0.00 C ATOM 652 CG PHE A 46 -0.728 8.391 -10.307 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.719 7.682 -10.996 1.00 0.00 C ATOM 654 CD2 PHE A 46 -0.913 9.749 -10.017 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.894 8.330 -11.396 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.087 10.397 -10.415 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.078 9.687 -11.105 1.00 0.00 C ATOM 0 H PHE A 46 1.738 7.989 -7.464 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.762 6.619 -8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.332 8.425 -9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.882 7.023 -10.666 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.577 6.635 -11.219 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.148 10.296 -9.486 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.658 7.783 -11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.229 11.444 -10.191 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.985 10.187 -11.413 1.00 0.00 H new ATOM 667 N ALA A 47 0.429 4.484 -8.608 1.00 0.00 N ATOM 668 CA ALA A 47 1.153 3.181 -8.636 1.00 0.00 C ATOM 669 C ALA A 47 1.348 2.761 -10.091 1.00 0.00 C ATOM 670 O ALA A 47 0.416 2.774 -10.873 1.00 0.00 O ATOM 671 CB ALA A 47 0.239 2.196 -7.901 1.00 0.00 C ATOM 0 H ALA A 47 -0.589 4.413 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 47 2.136 3.227 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.706 1.211 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.078 2.542 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.718 2.133 -8.418 1.00 0.00 H new ATOM 677 N VAL A 48 2.543 2.408 -10.475 1.00 0.00 N ATOM 678 CA VAL A 48 2.768 2.017 -11.892 1.00 0.00 C ATOM 679 C VAL A 48 3.784 0.873 -11.978 1.00 0.00 C ATOM 680 O VAL A 48 4.619 0.720 -11.109 1.00 0.00 O ATOM 681 CB VAL A 48 3.308 3.284 -12.560 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.291 4.420 -12.395 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.631 3.693 -11.903 1.00 0.00 C ATOM 0 H VAL A 48 3.366 2.374 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 48 1.860 1.656 -12.375 1.00 0.00 H new ATOM 0 HB VAL A 48 3.474 3.088 -13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.674 5.323 -12.870 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.349 4.135 -12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.127 4.610 -11.334 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.011 4.595 -12.382 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.466 3.887 -10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.357 2.888 -12.016 1.00 0.00 H new ATOM 693 N PRO A 49 3.677 0.103 -13.030 1.00 0.00 N ATOM 694 CA PRO A 49 4.600 -1.036 -13.228 1.00 0.00 C ATOM 695 C PRO A 49 5.997 -0.534 -13.592 1.00 0.00 C ATOM 696 O PRO A 49 6.181 0.139 -14.588 1.00 0.00 O ATOM 697 CB PRO A 49 3.980 -1.809 -14.388 1.00 0.00 C ATOM 698 CG PRO A 49 3.161 -0.803 -15.131 1.00 0.00 C ATOM 699 CD PRO A 49 2.702 0.219 -14.124 1.00 0.00 C ATOM 0 HA PRO A 49 4.720 -1.648 -12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.748 -2.243 -15.028 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.363 -2.632 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.749 -0.332 -15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.308 -1.280 -15.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.696 1.223 -14.549 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.689 0.013 -13.779 1.00 0.00 H new ATOM 707 N GLU A 50 6.977 -0.856 -12.786 1.00 0.00 N ATOM 708 CA GLU A 50 8.382 -0.408 -13.061 1.00 0.00 C ATOM 709 C GLU A 50 8.677 -0.409 -14.566 1.00 0.00 C ATOM 710 O GLU A 50 9.368 0.450 -15.070 1.00 0.00 O ATOM 711 CB GLU A 50 9.271 -1.436 -12.351 1.00 0.00 C ATOM 712 CG GLU A 50 10.195 -0.725 -11.356 1.00 0.00 C ATOM 713 CD GLU A 50 11.626 -1.237 -11.529 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.784 -2.415 -11.809 1.00 0.00 O ATOM 715 OE2 GLU A 50 12.541 -0.444 -11.378 1.00 0.00 O ATOM 0 H GLU A 50 6.865 -1.415 -11.940 1.00 0.00 H new ATOM 0 HA GLU A 50 8.555 0.609 -12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.653 -2.166 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.863 -1.985 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.161 0.352 -11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.855 -0.904 -10.336 1.00 0.00 H new ATOM 722 N ASN A 51 8.158 -1.367 -15.284 1.00 0.00 N ATOM 723 CA ASN A 51 8.412 -1.418 -16.754 1.00 0.00 C ATOM 724 C ASN A 51 7.444 -0.491 -17.501 1.00 0.00 C ATOM 725 O ASN A 51 6.811 -0.886 -18.461 1.00 0.00 O ATOM 726 CB ASN A 51 8.169 -2.875 -17.149 1.00 0.00 C ATOM 727 CG ASN A 51 8.824 -3.152 -18.503 1.00 0.00 C ATOM 728 OD1 ASN A 51 9.980 -2.838 -18.708 1.00 0.00 O ATOM 729 ND2 ASN A 51 8.129 -3.731 -19.445 1.00 0.00 N ATOM 0 H ASN A 51 7.570 -2.116 -14.918 1.00 0.00 H new ATOM 0 HA ASN A 51 9.420 -1.088 -17.006 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.580 -3.542 -16.391 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.099 -3.075 -17.203 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.557 -3.919 -20.352 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.159 -3.995 -19.274 1.00 0.00 H new ATOM 736 N SER A 52 7.332 0.739 -17.073 1.00 0.00 N ATOM 737 CA SER A 52 6.412 1.693 -17.760 1.00 0.00 C ATOM 738 C SER A 52 7.168 2.967 -18.148 1.00 0.00 C ATOM 739 O SER A 52 8.003 3.453 -17.408 1.00 0.00 O ATOM 740 CB SER A 52 5.328 2.009 -16.733 1.00 0.00 C ATOM 741 OG SER A 52 4.204 2.573 -17.395 1.00 0.00 O ATOM 0 H SER A 52 7.839 1.125 -16.276 1.00 0.00 H new ATOM 0 HA SER A 52 5.995 1.276 -18.677 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.036 1.101 -16.205 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.711 2.704 -15.985 1.00 0.00 H new ATOM 0 HG SER A 52 3.505 2.776 -16.738 1.00 0.00 H new ATOM 747 N SER A 53 6.880 3.512 -19.299 1.00 0.00 N ATOM 748 CA SER A 53 7.579 4.757 -19.736 1.00 0.00 C ATOM 749 C SER A 53 6.768 5.987 -19.320 1.00 0.00 C ATOM 750 O SER A 53 5.572 5.909 -19.114 1.00 0.00 O ATOM 751 CB SER A 53 7.651 4.655 -21.258 1.00 0.00 C ATOM 752 OG SER A 53 8.365 3.478 -21.616 1.00 0.00 O ATOM 0 H SER A 53 6.190 3.149 -19.957 1.00 0.00 H new ATOM 0 HA SER A 53 8.567 4.858 -19.287 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.646 4.628 -21.680 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.146 5.534 -21.670 1.00 0.00 H new ATOM 0 HG SER A 53 8.412 3.408 -22.592 1.00 0.00 H new ATOM 758 N VAL A 54 7.406 7.122 -19.194 1.00 0.00 N ATOM 759 CA VAL A 54 6.663 8.352 -18.791 1.00 0.00 C ATOM 760 C VAL A 54 5.563 8.672 -19.800 1.00 0.00 C ATOM 761 O VAL A 54 4.526 9.171 -19.439 1.00 0.00 O ATOM 762 CB VAL A 54 7.692 9.477 -18.738 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.985 10.796 -18.388 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.733 9.154 -17.663 1.00 0.00 C ATOM 0 H VAL A 54 8.406 7.250 -19.352 1.00 0.00 H new ATOM 0 HA VAL A 54 6.176 8.220 -17.825 1.00 0.00 H new ATOM 0 HB VAL A 54 8.183 9.575 -19.706 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.717 11.602 -18.349 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.237 11.021 -19.149 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.498 10.701 -17.417 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.472 9.954 -17.620 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.240 9.062 -16.695 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.229 8.215 -17.908 1.00 0.00 H new ATOM 774 N GLN A 55 5.778 8.410 -21.061 1.00 0.00 N ATOM 775 CA GLN A 55 4.726 8.726 -22.078 1.00 0.00 C ATOM 776 C GLN A 55 3.362 8.184 -21.628 1.00 0.00 C ATOM 777 O GLN A 55 2.353 8.858 -21.726 1.00 0.00 O ATOM 778 CB GLN A 55 5.186 8.022 -23.356 1.00 0.00 C ATOM 779 CG GLN A 55 4.263 8.412 -24.513 1.00 0.00 C ATOM 780 CD GLN A 55 4.960 8.116 -25.842 1.00 0.00 C ATOM 781 OE1 GLN A 55 5.407 9.020 -26.521 1.00 0.00 O ATOM 782 NE2 GLN A 55 5.073 6.880 -26.246 1.00 0.00 N ATOM 0 H GLN A 55 6.631 7.993 -21.433 1.00 0.00 H new ATOM 0 HA GLN A 55 4.606 9.800 -22.222 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.214 8.300 -23.587 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.172 6.941 -23.214 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.327 7.857 -24.449 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.010 9.470 -24.450 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.698 6.121 -25.677 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.536 6.673 -27.131 1.00 0.00 H new ATOM 791 N GLN A 56 3.327 6.979 -21.123 1.00 0.00 N ATOM 792 CA GLN A 56 2.030 6.399 -20.656 1.00 0.00 C ATOM 793 C GLN A 56 1.540 7.140 -19.406 1.00 0.00 C ATOM 794 O GLN A 56 0.433 7.640 -19.363 1.00 0.00 O ATOM 795 CB GLN A 56 2.346 4.939 -20.325 1.00 0.00 C ATOM 796 CG GLN A 56 1.060 4.213 -19.918 1.00 0.00 C ATOM 797 CD GLN A 56 0.767 3.087 -20.912 1.00 0.00 C ATOM 798 OE1 GLN A 56 1.674 2.458 -21.420 1.00 0.00 O ATOM 799 NE2 GLN A 56 -0.471 2.804 -21.213 1.00 0.00 N ATOM 0 H GLN A 56 4.138 6.371 -21.013 1.00 0.00 H new ATOM 0 HA GLN A 56 1.244 6.486 -21.406 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.794 4.449 -21.189 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.075 4.889 -19.516 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.164 3.806 -18.912 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.227 4.915 -19.893 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.233 3.332 -20.787 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.677 2.055 -21.874 1.00 0.00 H new ATOM 808 N PHE A 57 2.361 7.215 -18.391 1.00 0.00 N ATOM 809 CA PHE A 57 1.957 7.924 -17.138 1.00 0.00 C ATOM 810 C PHE A 57 1.635 9.392 -17.441 1.00 0.00 C ATOM 811 O PHE A 57 0.733 9.974 -16.867 1.00 0.00 O ATOM 812 CB PHE A 57 3.175 7.818 -16.215 1.00 0.00 C ATOM 813 CG PHE A 57 2.903 8.550 -14.921 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.754 8.255 -14.176 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.801 9.523 -14.466 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.504 8.934 -12.976 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.551 10.202 -13.267 1.00 0.00 C ATOM 818 CZ PHE A 57 2.403 9.907 -12.523 1.00 0.00 C ATOM 0 H PHE A 57 3.299 6.814 -18.375 1.00 0.00 H new ATOM 0 HA PHE A 57 1.064 7.492 -16.686 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.398 6.771 -16.011 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.052 8.241 -16.705 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.061 7.504 -14.526 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.687 9.750 -15.040 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.618 8.707 -12.401 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.244 10.953 -12.917 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.210 10.431 -11.598 1.00 0.00 H new ATOM 828 N LYS A 58 2.373 9.989 -18.336 1.00 0.00 N ATOM 829 CA LYS A 58 2.133 11.418 -18.686 1.00 0.00 C ATOM 830 C LYS A 58 0.690 11.594 -19.162 1.00 0.00 C ATOM 831 O LYS A 58 0.034 12.567 -18.844 1.00 0.00 O ATOM 832 CB LYS A 58 3.107 11.724 -19.826 1.00 0.00 C ATOM 833 CG LYS A 58 4.354 12.416 -19.269 1.00 0.00 C ATOM 834 CD LYS A 58 4.326 13.901 -19.638 1.00 0.00 C ATOM 835 CE LYS A 58 5.034 14.107 -20.979 1.00 0.00 C ATOM 836 NZ LYS A 58 5.268 15.576 -21.070 1.00 0.00 N ATOM 0 H LYS A 58 3.138 9.545 -18.844 1.00 0.00 H new ATOM 0 HA LYS A 58 2.284 12.084 -17.836 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.388 10.802 -20.334 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.626 12.362 -20.567 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.393 12.301 -18.186 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.252 11.948 -19.672 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.296 14.252 -19.701 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.816 14.489 -18.862 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.973 13.555 -21.019 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.421 13.753 -21.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.022 15.765 -21.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.393 16.049 -21.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.553 15.941 -20.138 1.00 0.00 H new ATOM 850 N GLU A 59 0.189 10.648 -19.911 1.00 0.00 N ATOM 851 CA GLU A 59 -1.217 10.744 -20.398 1.00 0.00 C ATOM 852 C GLU A 59 -2.182 10.286 -19.300 1.00 0.00 C ATOM 853 O GLU A 59 -3.359 10.589 -19.332 1.00 0.00 O ATOM 854 CB GLU A 59 -1.286 9.802 -21.601 1.00 0.00 C ATOM 855 CG GLU A 59 -2.634 9.974 -22.307 1.00 0.00 C ATOM 856 CD GLU A 59 -2.650 9.139 -23.588 1.00 0.00 C ATOM 857 OE1 GLU A 59 -2.287 7.976 -23.519 1.00 0.00 O ATOM 858 OE2 GLU A 59 -3.024 9.676 -24.618 1.00 0.00 O ATOM 0 H GLU A 59 0.694 9.812 -20.207 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.496 11.763 -20.665 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.471 10.017 -22.292 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.163 8.769 -21.275 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.444 9.663 -21.647 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.801 11.025 -22.543 1.00 0.00 H new ATOM 865 N ALA A 60 -1.692 9.561 -18.328 1.00 0.00 N ATOM 866 CA ALA A 60 -2.578 9.087 -17.225 1.00 0.00 C ATOM 867 C ALA A 60 -3.119 10.281 -16.437 1.00 0.00 C ATOM 868 O ALA A 60 -4.306 10.393 -16.199 1.00 0.00 O ATOM 869 CB ALA A 60 -1.685 8.219 -16.338 1.00 0.00 C ATOM 0 H ALA A 60 -0.715 9.277 -18.251 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.439 8.532 -17.597 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.268 7.833 -15.502 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.292 7.386 -16.921 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.858 8.818 -15.957 1.00 0.00 H new ATOM 875 N ILE A 61 -2.257 11.177 -16.034 1.00 0.00 N ATOM 876 CA ILE A 61 -2.724 12.369 -15.265 1.00 0.00 C ATOM 877 C ILE A 61 -3.702 13.184 -16.119 1.00 0.00 C ATOM 878 O ILE A 61 -4.662 13.736 -15.623 1.00 0.00 O ATOM 879 CB ILE A 61 -1.445 13.167 -14.957 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.738 12.533 -13.755 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.787 14.627 -14.626 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.531 13.325 -13.422 1.00 0.00 C ATOM 0 H ILE A 61 -1.252 11.136 -16.203 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.255 12.105 -14.350 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.796 13.147 -15.833 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.406 12.520 -12.894 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.483 11.497 -13.976 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.870 15.176 -14.411 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.292 15.084 -15.477 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.442 14.659 -13.755 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.030 12.870 -12.566 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.202 13.315 -14.281 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.265 14.354 -13.181 1.00 0.00 H new ATOM 894 N SER A 62 -3.470 13.260 -17.400 1.00 0.00 N ATOM 895 CA SER A 62 -4.390 14.042 -18.277 1.00 0.00 C ATOM 896 C SER A 62 -5.839 13.572 -18.092 1.00 0.00 C ATOM 897 O SER A 62 -6.730 14.364 -17.866 1.00 0.00 O ATOM 898 CB SER A 62 -3.915 13.760 -19.702 1.00 0.00 C ATOM 899 OG SER A 62 -4.797 14.385 -20.624 1.00 0.00 O ATOM 0 H SER A 62 -2.686 12.816 -17.878 1.00 0.00 H new ATOM 0 HA SER A 62 -4.372 15.106 -18.042 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.901 14.135 -19.840 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.885 12.685 -19.881 1.00 0.00 H new ATOM 0 HG SER A 62 -4.278 14.791 -21.350 1.00 0.00 H new ATOM 905 N LYS A 63 -6.079 12.293 -18.200 1.00 0.00 N ATOM 906 CA LYS A 63 -7.473 11.777 -18.044 1.00 0.00 C ATOM 907 C LYS A 63 -7.974 11.922 -16.600 1.00 0.00 C ATOM 908 O LYS A 63 -9.027 12.479 -16.357 1.00 0.00 O ATOM 909 CB LYS A 63 -7.391 10.299 -18.432 1.00 0.00 C ATOM 910 CG LYS A 63 -7.179 10.176 -19.943 1.00 0.00 C ATOM 911 CD LYS A 63 -8.016 9.016 -20.487 1.00 0.00 C ATOM 912 CE LYS A 63 -7.697 8.804 -21.968 1.00 0.00 C ATOM 913 NZ LYS A 63 -8.675 7.781 -22.430 1.00 0.00 N ATOM 0 H LYS A 63 -5.372 11.582 -18.389 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.174 12.336 -18.663 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.571 9.818 -17.899 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.306 9.785 -18.140 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.463 11.105 -20.437 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.124 10.009 -20.160 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.804 8.106 -19.925 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.077 9.229 -20.360 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.801 9.732 -22.531 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.672 8.460 -22.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.519 7.582 -23.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.548 6.907 -21.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.642 8.138 -22.293 1.00 0.00 H new ATOM 927 N ARG A 64 -7.246 11.404 -15.643 1.00 0.00 N ATOM 928 CA ARG A 64 -7.707 11.496 -14.220 1.00 0.00 C ATOM 929 C ARG A 64 -7.581 12.925 -13.680 1.00 0.00 C ATOM 930 O ARG A 64 -8.532 13.492 -13.180 1.00 0.00 O ATOM 931 CB ARG A 64 -6.786 10.550 -13.445 1.00 0.00 C ATOM 932 CG ARG A 64 -7.538 9.257 -13.116 1.00 0.00 C ATOM 933 CD ARG A 64 -8.410 9.470 -11.873 1.00 0.00 C ATOM 934 NE ARG A 64 -9.800 9.166 -12.314 1.00 0.00 N ATOM 935 CZ ARG A 64 -10.755 9.058 -11.431 1.00 0.00 C ATOM 936 NH1 ARG A 64 -11.373 10.126 -11.005 1.00 0.00 N ATOM 937 NH2 ARG A 64 -11.092 7.883 -10.974 1.00 0.00 N ATOM 0 H ARG A 64 -6.357 10.924 -15.782 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.759 11.228 -14.123 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.898 10.326 -14.036 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.446 11.029 -12.527 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.159 8.961 -13.961 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.830 8.447 -12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.103 8.813 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.328 10.493 -11.505 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.005 9.042 -13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.109 11.044 -11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.119 10.042 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.609 7.049 -11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.838 7.799 -10.284 1.00 0.00 H new ATOM 951 N PHE A 65 -6.416 13.507 -13.771 1.00 0.00 N ATOM 952 CA PHE A 65 -6.233 14.898 -13.256 1.00 0.00 C ATOM 953 C PHE A 65 -7.014 15.893 -14.120 1.00 0.00 C ATOM 954 O PHE A 65 -7.544 16.869 -13.627 1.00 0.00 O ATOM 955 CB PHE A 65 -4.727 15.168 -13.332 1.00 0.00 C ATOM 956 CG PHE A 65 -4.212 15.554 -11.966 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.764 16.649 -11.290 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.183 14.812 -11.373 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.286 17.002 -10.023 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.706 15.165 -10.106 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.257 16.260 -9.431 1.00 0.00 C ATOM 0 H PHE A 65 -5.583 13.082 -14.179 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.606 15.009 -12.238 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.206 14.280 -13.691 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.526 15.966 -14.046 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.558 17.221 -11.746 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.757 13.967 -11.894 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.711 17.847 -9.502 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.913 14.592 -9.649 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.888 16.533 -8.453 1.00 0.00 H new ATOM 971 N LYS A 66 -7.072 15.657 -15.408 1.00 0.00 N ATOM 972 CA LYS A 66 -7.806 16.584 -16.333 1.00 0.00 C ATOM 973 C LYS A 66 -7.065 17.919 -16.430 1.00 0.00 C ATOM 974 O LYS A 66 -7.407 18.881 -15.771 1.00 0.00 O ATOM 975 CB LYS A 66 -9.208 16.786 -15.736 1.00 0.00 C ATOM 976 CG LYS A 66 -9.801 15.435 -15.325 1.00 0.00 C ATOM 977 CD LYS A 66 -11.324 15.552 -15.232 1.00 0.00 C ATOM 978 CE LYS A 66 -11.834 14.695 -14.071 1.00 0.00 C ATOM 979 NZ LYS A 66 -12.328 13.442 -14.705 1.00 0.00 N ATOM 0 H LYS A 66 -6.639 14.854 -15.865 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.871 16.171 -17.339 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.152 17.447 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.857 17.271 -16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.528 14.670 -16.052 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.390 15.123 -14.365 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.611 16.593 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.782 15.227 -16.166 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.039 14.488 -13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.630 15.202 -13.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.694 12.803 -13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.088 13.669 -15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.547 12.977 -15.211 1.00 0.00 H new ATOM 993 N SER A 67 -6.051 17.981 -17.252 1.00 0.00 N ATOM 994 CA SER A 67 -5.279 19.249 -17.400 1.00 0.00 C ATOM 995 C SER A 67 -4.558 19.275 -18.752 1.00 0.00 C ATOM 996 O SER A 67 -4.946 19.985 -19.658 1.00 0.00 O ATOM 997 CB SER A 67 -4.270 19.232 -16.253 1.00 0.00 C ATOM 998 OG SER A 67 -4.824 19.904 -15.129 1.00 0.00 O ATOM 0 H SER A 67 -5.724 17.206 -17.829 1.00 0.00 H new ATOM 0 HA SER A 67 -5.920 20.130 -17.366 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.019 18.205 -15.989 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.344 19.717 -16.561 1.00 0.00 H new ATOM 0 HG SER A 67 -5.787 19.726 -15.083 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.512 18.504 -18.891 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.764 18.479 -20.184 1.00 0.00 C ATOM 1006 C GLN A 68 -1.811 17.280 -20.218 1.00 0.00 C ATOM 1007 O GLN A 68 -1.917 16.372 -19.417 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.979 19.794 -20.218 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.092 19.901 -18.975 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.060 21.013 -19.178 1.00 0.00 C ATOM 1011 OE1 GLN A 68 1.094 20.855 -18.837 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.431 22.139 -19.724 1.00 0.00 N ATOM 0 H GLN A 68 -3.143 17.890 -18.165 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.427 18.382 -21.043 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.366 19.839 -21.118 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.667 20.638 -20.258 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.702 20.113 -18.097 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.588 18.952 -18.792 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.401 22.272 -20.011 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.249 22.886 -19.864 1.00 0.00 H new ATOM 1021 N THR A 69 -0.884 17.269 -21.139 1.00 0.00 N ATOM 1022 CA THR A 69 0.071 16.124 -21.222 1.00 0.00 C ATOM 1023 C THR A 69 1.395 16.571 -21.850 1.00 0.00 C ATOM 1024 O THR A 69 2.458 16.331 -21.313 1.00 0.00 O ATOM 1025 CB THR A 69 -0.623 15.094 -22.114 1.00 0.00 C ATOM 1026 OG1 THR A 69 -1.983 14.970 -21.721 1.00 0.00 O ATOM 1027 CG2 THR A 69 0.077 13.741 -21.973 1.00 0.00 C ATOM 0 H THR A 69 -0.747 18.001 -21.836 1.00 0.00 H new ATOM 0 HA THR A 69 0.311 15.720 -20.238 1.00 0.00 H new ATOM 0 HB THR A 69 -0.573 15.419 -23.153 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.430 14.311 -22.292 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.418 13.007 -22.609 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.120 13.838 -22.275 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.029 13.413 -20.935 1.00 0.00 H new ATOM 1035 N ASP A 70 1.338 17.216 -22.987 1.00 0.00 N ATOM 1036 CA ASP A 70 2.596 17.675 -23.653 1.00 0.00 C ATOM 1037 C ASP A 70 3.408 18.564 -22.706 1.00 0.00 C ATOM 1038 O ASP A 70 4.408 18.148 -22.154 1.00 0.00 O ATOM 1039 CB ASP A 70 2.131 18.474 -24.872 1.00 0.00 C ATOM 1040 CG ASP A 70 1.728 17.512 -25.990 1.00 0.00 C ATOM 1041 OD1 ASP A 70 1.128 16.495 -25.681 1.00 0.00 O ATOM 1042 OD2 ASP A 70 2.025 17.807 -27.136 1.00 0.00 O ATOM 0 H ASP A 70 0.477 17.445 -23.483 1.00 0.00 H new ATOM 0 HA ASP A 70 3.240 16.841 -23.932 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.287 19.109 -24.603 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.929 19.132 -25.215 1.00 0.00 H new ATOM 1047 N GLN A 71 2.986 19.786 -22.515 1.00 0.00 N ATOM 1048 CA GLN A 71 3.732 20.704 -21.602 1.00 0.00 C ATOM 1049 C GLN A 71 3.808 20.104 -20.194 1.00 0.00 C ATOM 1050 O GLN A 71 4.703 20.403 -19.429 1.00 0.00 O ATOM 1051 CB GLN A 71 2.920 22.003 -21.589 1.00 0.00 C ATOM 1052 CG GLN A 71 3.856 23.202 -21.783 1.00 0.00 C ATOM 1053 CD GLN A 71 3.476 23.950 -23.063 1.00 0.00 C ATOM 1054 OE1 GLN A 71 3.131 23.342 -24.056 1.00 0.00 O ATOM 1055 NE2 GLN A 71 3.524 25.254 -23.082 1.00 0.00 N ATOM 0 H GLN A 71 2.157 20.189 -22.951 1.00 0.00 H new ATOM 0 HA GLN A 71 4.757 20.869 -21.933 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.171 21.983 -22.381 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.383 22.098 -20.645 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.788 23.871 -20.925 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.890 22.863 -21.842 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.814 25.766 -22.249 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.272 25.761 -23.930 1.00 0.00 H new ATOM 1064 N LEU A 72 2.871 19.261 -19.849 1.00 0.00 N ATOM 1065 CA LEU A 72 2.878 18.640 -18.491 1.00 0.00 C ATOM 1066 C LEU A 72 4.209 17.927 -18.223 1.00 0.00 C ATOM 1067 O LEU A 72 4.457 16.847 -18.724 1.00 0.00 O ATOM 1068 CB LEU A 72 1.728 17.632 -18.509 1.00 0.00 C ATOM 1069 CG LEU A 72 1.021 17.640 -17.153 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.256 16.802 -17.237 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.950 17.045 -16.093 1.00 0.00 C ATOM 0 H LEU A 72 2.099 18.975 -20.451 1.00 0.00 H new ATOM 0 HA LEU A 72 2.761 19.386 -17.705 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.022 17.884 -19.301 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.108 16.634 -18.727 1.00 0.00 H new ATOM 0 HG LEU A 72 0.766 18.665 -16.882 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.759 16.808 -16.270 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.918 17.223 -17.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.002 15.777 -17.507 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.448 17.050 -15.125 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.204 16.020 -16.365 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.861 17.640 -16.032 1.00 0.00 H new ATOM 1083 N VAL A 73 5.057 18.521 -17.428 1.00 0.00 N ATOM 1084 CA VAL A 73 6.370 17.883 -17.110 1.00 0.00 C ATOM 1085 C VAL A 73 6.552 17.825 -15.591 1.00 0.00 C ATOM 1086 O VAL A 73 5.957 18.597 -14.863 1.00 0.00 O ATOM 1087 CB VAL A 73 7.421 18.796 -17.746 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.818 18.222 -17.493 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.174 18.891 -19.256 1.00 0.00 C ATOM 0 H VAL A 73 4.898 19.425 -16.982 1.00 0.00 H new ATOM 0 HA VAL A 73 6.446 16.863 -17.487 1.00 0.00 H new ATOM 0 HB VAL A 73 7.351 19.790 -17.304 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.566 18.872 -17.946 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.996 18.157 -16.420 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.888 17.227 -17.933 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.923 19.542 -19.707 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.242 17.897 -19.699 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.181 19.302 -19.437 1.00 0.00 H new ATOM 1099 N LEU A 74 7.357 16.920 -15.098 1.00 0.00 N ATOM 1100 CA LEU A 74 7.548 16.835 -13.622 1.00 0.00 C ATOM 1101 C LEU A 74 9.012 17.089 -13.255 1.00 0.00 C ATOM 1102 O LEU A 74 9.919 16.663 -13.943 1.00 0.00 O ATOM 1103 CB LEU A 74 7.132 15.413 -13.258 1.00 0.00 C ATOM 1104 CG LEU A 74 5.705 15.420 -12.707 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.026 14.091 -13.039 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.746 15.607 -11.189 1.00 0.00 C ATOM 0 H LEU A 74 7.885 16.243 -15.648 1.00 0.00 H new ATOM 0 HA LEU A 74 6.963 17.581 -13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.190 14.770 -14.136 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.817 15.002 -12.516 1.00 0.00 H new ATOM 0 HG LEU A 74 5.144 16.238 -13.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.009 14.094 -12.647 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.998 13.957 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.587 13.273 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.730 15.612 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.306 14.789 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.232 16.554 -10.952 1.00 0.00 H new ATOM 1118 N ILE A 75 9.246 17.789 -12.177 1.00 0.00 N ATOM 1119 CA ILE A 75 10.647 18.084 -11.759 1.00 0.00 C ATOM 1120 C ILE A 75 11.076 17.150 -10.628 1.00 0.00 C ATOM 1121 O ILE A 75 10.845 17.423 -9.465 1.00 0.00 O ATOM 1122 CB ILE A 75 10.616 19.533 -11.265 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.107 20.449 -12.384 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.026 19.965 -10.858 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.972 20.266 -13.631 1.00 0.00 C ATOM 0 H ILE A 75 8.524 18.171 -11.566 1.00 0.00 H new ATOM 0 HA ILE A 75 11.355 17.941 -12.575 1.00 0.00 H new ATOM 0 HB ILE A 75 9.950 19.606 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.067 20.216 -12.613 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.137 21.489 -12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.003 20.997 -10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.389 19.317 -10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.692 19.889 -11.717 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.608 20.918 -14.425 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.006 20.521 -13.397 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.920 19.228 -13.961 1.00 0.00 H new ATOM 1137 N PHE A 76 11.704 16.053 -10.954 1.00 0.00 N ATOM 1138 CA PHE A 76 12.149 15.110 -9.884 1.00 0.00 C ATOM 1139 C PHE A 76 13.508 15.541 -9.326 1.00 0.00 C ATOM 1140 O PHE A 76 14.545 15.209 -9.866 1.00 0.00 O ATOM 1141 CB PHE A 76 12.258 13.741 -10.562 1.00 0.00 C ATOM 1142 CG PHE A 76 12.641 12.677 -9.547 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.555 12.933 -8.167 1.00 0.00 C ATOM 1144 CD2 PHE A 76 13.087 11.426 -9.993 1.00 0.00 C ATOM 1145 CE1 PHE A 76 12.913 11.942 -7.245 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.444 10.436 -9.068 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.358 10.695 -7.695 1.00 0.00 C ATOM 0 H PHE A 76 11.928 15.769 -11.908 1.00 0.00 H new ATOM 0 HA PHE A 76 11.452 15.090 -9.046 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.307 13.482 -11.029 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.003 13.780 -11.357 1.00 0.00 H new ATOM 0 HD1 PHE A 76 12.212 13.896 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 76 13.156 11.224 -11.052 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.845 12.141 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.786 9.472 -9.415 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.635 9.932 -6.983 1.00 0.00 H new ATOM 1157 N ALA A 77 13.508 16.276 -8.243 1.00 0.00 N ATOM 1158 CA ALA A 77 14.798 16.732 -7.637 1.00 0.00 C ATOM 1159 C ALA A 77 15.667 17.439 -8.682 1.00 0.00 C ATOM 1160 O ALA A 77 16.850 17.180 -8.794 1.00 0.00 O ATOM 1161 CB ALA A 77 15.484 15.454 -7.147 1.00 0.00 C ATOM 0 H ALA A 77 12.669 16.581 -7.750 1.00 0.00 H new ATOM 0 HA ALA A 77 14.637 17.446 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.440 15.707 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.849 14.959 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.652 14.785 -7.991 1.00 0.00 H new ATOM 1167 N GLY A 78 15.091 18.329 -9.446 1.00 0.00 N ATOM 1168 CA GLY A 78 15.886 19.051 -10.481 1.00 0.00 C ATOM 1169 C GLY A 78 15.757 18.324 -11.821 1.00 0.00 C ATOM 1170 O GLY A 78 15.541 18.934 -12.849 1.00 0.00 O ATOM 0 H GLY A 78 14.105 18.587 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.532 20.078 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.933 19.101 -10.181 1.00 0.00 H new ATOM 1174 N LYS A 79 15.888 17.024 -11.816 1.00 0.00 N ATOM 1175 CA LYS A 79 15.772 16.255 -13.091 1.00 0.00 C ATOM 1176 C LYS A 79 14.400 16.493 -13.726 1.00 0.00 C ATOM 1177 O LYS A 79 13.576 17.211 -13.192 1.00 0.00 O ATOM 1178 CB LYS A 79 15.933 14.788 -12.687 1.00 0.00 C ATOM 1179 CG LYS A 79 17.315 14.579 -12.065 1.00 0.00 C ATOM 1180 CD LYS A 79 17.602 13.081 -11.945 1.00 0.00 C ATOM 1181 CE LYS A 79 18.429 12.818 -10.684 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.734 13.490 -10.933 1.00 0.00 N ATOM 0 H LYS A 79 16.070 16.461 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 79 16.518 16.557 -13.826 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.156 14.508 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.814 14.144 -13.559 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.078 15.058 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.357 15.048 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.667 12.523 -11.902 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.141 12.732 -12.826 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.939 13.223 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.561 11.749 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.449 13.114 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.034 13.313 -11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.632 14.514 -10.782 1.00 0.00 H new ATOM 1196 N ILE A 80 14.145 15.894 -14.858 1.00 0.00 N ATOM 1197 CA ILE A 80 12.818 16.092 -15.520 1.00 0.00 C ATOM 1198 C ILE A 80 12.043 14.782 -15.584 1.00 0.00 C ATOM 1199 O ILE A 80 12.181 14.023 -16.522 1.00 0.00 O ATOM 1200 CB ILE A 80 13.081 16.598 -16.956 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.489 16.216 -17.441 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.941 18.121 -16.989 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.570 14.702 -17.645 1.00 0.00 C ATOM 0 H ILE A 80 14.792 15.279 -15.352 1.00 0.00 H new ATOM 0 HA ILE A 80 12.227 16.809 -14.950 1.00 0.00 H new ATOM 0 HB ILE A 80 12.351 16.130 -17.617 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.715 16.731 -18.375 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.234 16.535 -16.712 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.126 18.482 -18.001 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.933 18.400 -16.683 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.664 18.568 -16.307 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.569 14.434 -17.989 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.363 14.196 -16.702 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.836 14.395 -18.390 1.00 0.00 H new ATOM 1215 N LEU A 81 11.199 14.520 -14.620 1.00 0.00 N ATOM 1216 CA LEU A 81 10.395 13.270 -14.683 1.00 0.00 C ATOM 1217 C LEU A 81 9.465 13.386 -15.887 1.00 0.00 C ATOM 1218 O LEU A 81 8.320 13.786 -15.772 1.00 0.00 O ATOM 1219 CB LEU A 81 9.601 13.219 -13.377 1.00 0.00 C ATOM 1220 CG LEU A 81 9.483 11.766 -12.904 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.663 11.701 -11.385 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.100 11.222 -13.276 1.00 0.00 C ATOM 0 H LEU A 81 11.035 15.110 -13.804 1.00 0.00 H new ATOM 0 HA LEU A 81 10.996 12.367 -14.793 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.096 13.821 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.609 13.645 -13.526 1.00 0.00 H new ATOM 0 HG LEU A 81 10.255 11.166 -13.385 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.578 10.666 -11.053 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.646 12.089 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.893 12.302 -10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.013 10.188 -12.941 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.330 11.825 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.971 11.265 -14.358 1.00 0.00 H new ATOM 1234 N LYS A 82 9.973 13.084 -17.050 1.00 0.00 N ATOM 1235 CA LYS A 82 9.154 13.211 -18.281 1.00 0.00 C ATOM 1236 C LYS A 82 9.495 12.095 -19.268 1.00 0.00 C ATOM 1237 O LYS A 82 10.067 11.086 -18.910 1.00 0.00 O ATOM 1238 CB LYS A 82 9.543 14.572 -18.862 1.00 0.00 C ATOM 1239 CG LYS A 82 8.353 15.168 -19.615 1.00 0.00 C ATOM 1240 CD LYS A 82 8.840 15.820 -20.912 1.00 0.00 C ATOM 1241 CE LYS A 82 9.757 17.002 -20.585 1.00 0.00 C ATOM 1242 NZ LYS A 82 11.089 16.621 -21.130 1.00 0.00 N ATOM 0 H LYS A 82 10.926 12.753 -17.198 1.00 0.00 H new ATOM 0 HA LYS A 82 8.086 13.135 -18.078 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.854 15.244 -18.062 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.394 14.462 -19.535 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.624 14.389 -19.839 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.848 15.907 -18.992 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.375 15.089 -21.519 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.988 16.161 -21.501 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.392 17.922 -21.042 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.806 17.177 -19.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.837 17.033 -20.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.180 15.585 -21.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.181 16.978 -22.102 1.00 0.00 H new ATOM 1256 N ASP A 83 9.146 12.279 -20.508 1.00 0.00 N ATOM 1257 CA ASP A 83 9.440 11.236 -21.534 1.00 0.00 C ATOM 1258 C ASP A 83 10.934 11.222 -21.864 1.00 0.00 C ATOM 1259 O ASP A 83 11.437 10.284 -22.451 1.00 0.00 O ATOM 1260 CB ASP A 83 8.607 11.627 -22.756 1.00 0.00 C ATOM 1261 CG ASP A 83 8.997 13.030 -23.225 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.075 13.171 -23.779 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.211 13.941 -23.022 1.00 0.00 O ATOM 0 H ASP A 83 8.668 13.109 -20.859 1.00 0.00 H new ATOM 0 HA ASP A 83 9.191 10.233 -21.187 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.765 10.908 -23.560 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.546 11.599 -22.508 1.00 0.00 H new ATOM 1268 N GLN A 84 11.649 12.248 -21.480 1.00 0.00 N ATOM 1269 CA GLN A 84 13.114 12.288 -21.758 1.00 0.00 C ATOM 1270 C GLN A 84 13.769 11.006 -21.240 1.00 0.00 C ATOM 1271 O GLN A 84 14.729 10.514 -21.801 1.00 0.00 O ATOM 1272 CB GLN A 84 13.637 13.509 -20.994 1.00 0.00 C ATOM 1273 CG GLN A 84 14.253 14.506 -21.979 1.00 0.00 C ATOM 1274 CD GLN A 84 15.738 14.188 -22.166 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.104 13.056 -22.408 1.00 0.00 O ATOM 1276 NE2 GLN A 84 16.616 15.148 -22.061 1.00 0.00 N ATOM 0 H GLN A 84 11.280 13.060 -20.985 1.00 0.00 H new ATOM 0 HA GLN A 84 13.335 12.359 -22.823 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.824 13.982 -20.443 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.382 13.200 -20.260 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.736 14.454 -22.937 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.132 15.523 -21.607 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.310 16.099 -21.858 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.609 14.947 -22.182 1.00 0.00 H new ATOM 1285 N ASP A 85 13.250 10.463 -20.171 1.00 0.00 N ATOM 1286 CA ASP A 85 13.834 9.207 -19.612 1.00 0.00 C ATOM 1287 C ASP A 85 12.711 8.268 -19.167 1.00 0.00 C ATOM 1288 O ASP A 85 11.562 8.655 -19.101 1.00 0.00 O ATOM 1289 CB ASP A 85 14.673 9.655 -18.411 1.00 0.00 C ATOM 1290 CG ASP A 85 13.795 10.413 -17.407 1.00 0.00 C ATOM 1291 OD1 ASP A 85 12.609 10.552 -17.666 1.00 0.00 O ATOM 1292 OD2 ASP A 85 14.325 10.843 -16.396 1.00 0.00 O ATOM 0 H ASP A 85 12.448 10.833 -19.661 1.00 0.00 H new ATOM 0 HA ASP A 85 14.436 8.666 -20.342 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.124 8.788 -17.929 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.490 10.294 -18.746 1.00 0.00 H new ATOM 1297 N THR A 86 13.030 7.038 -18.858 1.00 0.00 N ATOM 1298 CA THR A 86 11.969 6.091 -18.415 1.00 0.00 C ATOM 1299 C THR A 86 11.615 6.370 -16.954 1.00 0.00 C ATOM 1300 O THR A 86 12.457 6.748 -16.161 1.00 0.00 O ATOM 1301 CB THR A 86 12.570 4.688 -18.573 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.828 4.771 -19.230 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.622 3.816 -19.400 1.00 0.00 C ATOM 0 H THR A 86 13.973 6.652 -18.893 1.00 0.00 H new ATOM 0 HA THR A 86 11.053 6.192 -18.998 1.00 0.00 H new ATOM 0 HB THR A 86 12.708 4.246 -17.586 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.185 3.869 -19.369 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.049 2.819 -19.512 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.659 3.743 -18.894 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.481 4.263 -20.384 1.00 0.00 H new ATOM 1311 N LEU A 87 10.374 6.191 -16.590 1.00 0.00 N ATOM 1312 CA LEU A 87 9.964 6.451 -15.179 1.00 0.00 C ATOM 1313 C LEU A 87 10.828 5.619 -14.234 1.00 0.00 C ATOM 1314 O LEU A 87 11.359 6.110 -13.257 1.00 0.00 O ATOM 1315 CB LEU A 87 8.497 6.012 -15.114 1.00 0.00 C ATOM 1316 CG LEU A 87 7.859 6.488 -13.807 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.116 7.985 -13.614 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.350 6.240 -13.862 1.00 0.00 C ATOM 0 H LEU A 87 9.626 5.876 -17.208 1.00 0.00 H new ATOM 0 HA LEU A 87 10.085 7.493 -14.884 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.950 6.420 -15.964 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.431 4.926 -15.185 1.00 0.00 H new ATOM 0 HG LEU A 87 8.297 5.938 -12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.659 8.315 -12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.190 8.168 -13.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.683 8.539 -14.447 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.892 6.578 -12.933 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.921 6.791 -14.699 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.161 5.175 -13.994 1.00 0.00 H new ATOM 1330 N ILE A 88 10.987 4.365 -14.539 1.00 0.00 N ATOM 1331 CA ILE A 88 11.835 3.479 -13.689 1.00 0.00 C ATOM 1332 C ILE A 88 13.314 3.825 -13.882 1.00 0.00 C ATOM 1333 O ILE A 88 14.133 3.608 -13.011 1.00 0.00 O ATOM 1334 CB ILE A 88 11.542 2.045 -14.171 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.652 1.088 -13.689 1.00 0.00 C ATOM 1336 CG2 ILE A 88 11.451 1.997 -15.706 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.826 1.077 -14.683 1.00 0.00 C ATOM 0 H ILE A 88 10.564 3.909 -15.347 1.00 0.00 H new ATOM 0 HA ILE A 88 11.617 3.596 -12.628 1.00 0.00 H new ATOM 0 HB ILE A 88 10.586 1.731 -13.752 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.004 1.397 -12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.250 0.081 -13.582 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.244 0.976 -16.026 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.649 2.653 -16.044 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.396 2.328 -16.137 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.599 0.396 -14.326 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.473 0.745 -15.659 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.239 2.082 -14.769 1.00 0.00 H new ATOM 1349 N GLN A 89 13.659 4.330 -15.032 1.00 0.00 N ATOM 1350 CA GLN A 89 15.085 4.656 -15.311 1.00 0.00 C ATOM 1351 C GLN A 89 15.517 5.952 -14.619 1.00 0.00 C ATOM 1352 O GLN A 89 16.679 6.309 -14.655 1.00 0.00 O ATOM 1353 CB GLN A 89 15.159 4.815 -16.830 1.00 0.00 C ATOM 1354 CG GLN A 89 16.625 4.834 -17.276 1.00 0.00 C ATOM 1355 CD GLN A 89 17.031 3.447 -17.783 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.191 2.601 -18.021 1.00 0.00 O ATOM 1357 NE2 GLN A 89 18.295 3.177 -17.962 1.00 0.00 N ATOM 0 H GLN A 89 13.012 4.532 -15.794 1.00 0.00 H new ATOM 0 HA GLN A 89 15.751 3.879 -14.935 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.631 3.995 -17.317 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.664 5.738 -17.133 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.766 5.575 -18.063 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.264 5.128 -16.444 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.001 3.886 -17.763 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.577 2.257 -18.301 1.00 0.00 H new ATOM 1366 N HIS A 90 14.617 6.674 -13.995 1.00 0.00 N ATOM 1367 CA HIS A 90 15.052 7.946 -13.329 1.00 0.00 C ATOM 1368 C HIS A 90 13.891 8.639 -12.619 1.00 0.00 C ATOM 1369 O HIS A 90 14.062 9.228 -11.570 1.00 0.00 O ATOM 1370 CB HIS A 90 15.558 8.836 -14.468 1.00 0.00 C ATOM 1371 CG HIS A 90 16.959 9.293 -14.171 1.00 0.00 C ATOM 1372 ND1 HIS A 90 17.932 8.431 -13.687 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.570 10.518 -14.286 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.063 9.142 -13.530 1.00 0.00 C ATOM 1375 NE2 HIS A 90 18.897 10.420 -13.880 1.00 0.00 N ATOM 0 H HIS A 90 13.625 6.448 -13.917 1.00 0.00 H new ATOM 0 HA HIS A 90 15.809 7.749 -12.569 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.537 8.286 -15.409 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.902 9.698 -14.588 1.00 0.00 H new ATOM 0 HD1 HIS A 90 17.812 7.438 -13.487 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.093 11.420 -14.638 1.00 0.00 H new ATOM 0 HE1 HIS A 90 19.992 8.730 -13.165 1.00 0.00 H new ATOM 1383 N GLY A 91 12.723 8.603 -13.191 1.00 0.00 N ATOM 1384 CA GLY A 91 11.568 9.289 -12.555 1.00 0.00 C ATOM 1385 C GLY A 91 11.324 8.723 -11.157 1.00 0.00 C ATOM 1386 O GLY A 91 11.158 9.460 -10.204 1.00 0.00 O ATOM 0 H GLY A 91 12.518 8.129 -14.071 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.761 10.360 -12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.676 9.160 -13.168 1.00 0.00 H new ATOM 1390 N ILE A 92 11.284 7.426 -11.024 1.00 0.00 N ATOM 1391 CA ILE A 92 11.033 6.827 -9.680 1.00 0.00 C ATOM 1392 C ILE A 92 11.872 5.563 -9.494 1.00 0.00 C ATOM 1393 O ILE A 92 12.258 4.913 -10.446 1.00 0.00 O ATOM 1394 CB ILE A 92 9.538 6.460 -9.636 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.791 7.034 -10.857 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.915 6.995 -8.342 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.518 8.533 -10.672 1.00 0.00 C ATOM 0 H ILE A 92 11.413 6.757 -11.783 1.00 0.00 H new ATOM 0 HA ILE A 92 11.301 7.527 -8.889 1.00 0.00 H new ATOM 0 HB ILE A 92 9.448 5.374 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.383 6.876 -11.759 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.850 6.503 -10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.857 6.734 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.422 6.553 -7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.023 8.079 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.990 8.917 -11.545 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.906 8.684 -9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.463 9.063 -10.557 1.00 0.00 H new ATOM 1409 N HIS A 93 12.130 5.201 -8.270 1.00 0.00 N ATOM 1410 CA HIS A 93 12.918 3.967 -8.001 1.00 0.00 C ATOM 1411 C HIS A 93 12.032 2.962 -7.262 1.00 0.00 C ATOM 1412 O HIS A 93 12.037 1.781 -7.549 1.00 0.00 O ATOM 1413 CB HIS A 93 14.082 4.415 -7.113 1.00 0.00 C ATOM 1414 CG HIS A 93 14.919 5.431 -7.845 1.00 0.00 C ATOM 1415 ND1 HIS A 93 14.984 5.788 -9.170 1.00 0.00 N flip ATOM 1416 CD2 HIS A 93 15.844 6.231 -7.192 1.00 0.00 C flip ATOM 1417 CE1 HIS A 93 15.933 6.793 -9.338 1.00 0.00 C flip ATOM 1418 NE2 HIS A 93 16.419 7.022 -8.115 1.00 0.00 N flip ATOM 0 H HIS A 93 11.827 5.710 -7.439 1.00 0.00 H new ATOM 0 HA HIS A 93 13.277 3.487 -8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.701 4.844 -6.186 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.694 3.556 -6.838 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.063 6.221 -6.134 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.215 7.282 -10.259 1.00 0.00 H new ATOM 0 HE2 HIS A 93 17.139 7.713 -7.906 1.00 0.00 H new ATOM 1426 N ASP A 94 11.258 3.437 -6.319 1.00 0.00 N ATOM 1427 CA ASP A 94 10.347 2.537 -5.550 1.00 0.00 C ATOM 1428 C ASP A 94 9.524 3.358 -4.553 1.00 0.00 C ATOM 1429 O ASP A 94 9.214 2.903 -3.468 1.00 0.00 O ATOM 1430 CB ASP A 94 11.266 1.564 -4.804 1.00 0.00 C ATOM 1431 CG ASP A 94 10.481 0.306 -4.431 1.00 0.00 C ATOM 1432 OD1 ASP A 94 9.743 -0.180 -5.271 1.00 0.00 O ATOM 1433 OD2 ASP A 94 10.632 -0.151 -3.309 1.00 0.00 O ATOM 0 H ASP A 94 11.218 4.419 -6.047 1.00 0.00 H new ATOM 0 HA ASP A 94 9.646 2.012 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.119 1.301 -5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.663 2.038 -3.906 1.00 0.00 H new ATOM 1438 N GLY A 95 9.170 4.564 -4.911 1.00 0.00 N ATOM 1439 CA GLY A 95 8.370 5.417 -3.983 1.00 0.00 C ATOM 1440 C GLY A 95 9.103 6.738 -3.740 1.00 0.00 C ATOM 1441 O GLY A 95 9.622 6.978 -2.667 1.00 0.00 O ATOM 0 H GLY A 95 9.400 4.996 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.385 5.609 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.214 4.897 -3.038 1.00 0.00 H new ATOM 1445 N LEU A 96 9.153 7.595 -4.726 1.00 0.00 N ATOM 1446 CA LEU A 96 9.857 8.900 -4.545 1.00 0.00 C ATOM 1447 C LEU A 96 8.875 10.066 -4.700 1.00 0.00 C ATOM 1448 O LEU A 96 7.719 9.876 -5.027 1.00 0.00 O ATOM 1449 CB LEU A 96 10.914 8.937 -5.653 1.00 0.00 C ATOM 1450 CG LEU A 96 12.238 8.366 -5.133 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.750 9.224 -3.974 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.025 6.929 -4.649 1.00 0.00 C ATOM 0 H LEU A 96 8.738 7.449 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 96 10.300 8.993 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.572 8.360 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.059 9.962 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 96 12.972 8.372 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.691 8.815 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.908 10.245 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.015 9.223 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.968 6.526 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.288 6.921 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.667 6.316 -5.476 1.00 0.00 H new ATOM 1464 N THR A 97 9.328 11.269 -4.466 1.00 0.00 N ATOM 1465 CA THR A 97 8.426 12.452 -4.596 1.00 0.00 C ATOM 1466 C THR A 97 8.921 13.376 -5.715 1.00 0.00 C ATOM 1467 O THR A 97 10.107 13.486 -5.961 1.00 0.00 O ATOM 1468 CB THR A 97 8.503 13.161 -3.243 1.00 0.00 C ATOM 1469 OG1 THR A 97 8.223 12.230 -2.207 1.00 0.00 O ATOM 1470 CG2 THR A 97 7.482 14.298 -3.202 1.00 0.00 C ATOM 0 H THR A 97 10.286 11.484 -4.190 1.00 0.00 H new ATOM 0 HA THR A 97 7.405 12.166 -4.849 1.00 0.00 H new ATOM 0 HB THR A 97 9.503 13.571 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.273 12.682 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.538 14.802 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.699 15.011 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.480 13.892 -3.342 1.00 0.00 H new ATOM 1478 N VAL A 98 8.021 14.033 -6.396 1.00 0.00 N ATOM 1479 CA VAL A 98 8.437 14.944 -7.505 1.00 0.00 C ATOM 1480 C VAL A 98 7.437 16.100 -7.648 1.00 0.00 C ATOM 1481 O VAL A 98 6.267 15.958 -7.352 1.00 0.00 O ATOM 1482 CB VAL A 98 8.438 14.058 -8.753 1.00 0.00 C ATOM 1483 CG1 VAL A 98 7.042 13.466 -8.967 1.00 0.00 C ATOM 1484 CG2 VAL A 98 8.833 14.890 -9.977 1.00 0.00 C ATOM 0 H VAL A 98 7.015 13.979 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 98 9.411 15.401 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 98 9.157 13.250 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.046 12.836 -9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.764 12.867 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.321 14.273 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.833 14.256 -10.864 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.118 15.702 -10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.830 15.305 -9.828 1.00 0.00 H new ATOM 1494 N HIS A 99 7.891 17.246 -8.096 1.00 0.00 N ATOM 1495 CA HIS A 99 6.965 18.409 -8.252 1.00 0.00 C ATOM 1496 C HIS A 99 6.357 18.424 -9.658 1.00 0.00 C ATOM 1497 O HIS A 99 7.051 18.280 -10.643 1.00 0.00 O ATOM 1498 CB HIS A 99 7.841 19.644 -8.038 1.00 0.00 C ATOM 1499 CG HIS A 99 8.415 19.626 -6.646 1.00 0.00 C ATOM 1500 ND1 HIS A 99 8.139 18.848 -5.548 1.00 0.00 N flip ATOM 1501 CD2 HIS A 99 9.416 20.498 -6.248 1.00 0.00 C flip ATOM 1502 CE1 HIS A 99 8.953 19.231 -4.486 1.00 0.00 C flip ATOM 1503 NE2 HIS A 99 9.704 20.227 -4.963 1.00 0.00 N flip ATOM 0 H HIS A 99 8.860 17.425 -8.359 1.00 0.00 H new ATOM 0 HA HIS A 99 6.134 18.368 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.646 19.662 -8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.252 20.549 -8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.881 21.258 -6.859 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.973 18.813 -3.490 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.410 20.722 -4.419 1.00 0.00 H new ATOM 1511 N LEU A 100 5.066 18.603 -9.758 1.00 0.00 N ATOM 1512 CA LEU A 100 4.419 18.633 -11.103 1.00 0.00 C ATOM 1513 C LEU A 100 4.271 20.079 -11.587 1.00 0.00 C ATOM 1514 O LEU A 100 3.781 20.933 -10.874 1.00 0.00 O ATOM 1515 CB LEU A 100 3.044 17.994 -10.899 1.00 0.00 C ATOM 1516 CG LEU A 100 2.396 17.727 -12.263 1.00 0.00 C ATOM 1517 CD1 LEU A 100 2.509 16.239 -12.604 1.00 0.00 C ATOM 1518 CD2 LEU A 100 0.918 18.125 -12.216 1.00 0.00 C ATOM 0 H LEU A 100 4.433 18.729 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 100 5.006 18.104 -11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.143 17.062 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.410 18.653 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 100 2.908 18.315 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.048 16.052 -13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.560 15.953 -12.641 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.000 15.651 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.459 17.935 -13.186 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.408 17.539 -11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.834 19.185 -11.977 1.00 0.00 H new ATOM 1530 N VAL A 101 4.690 20.358 -12.792 1.00 0.00 N ATOM 1531 CA VAL A 101 4.574 21.748 -13.324 1.00 0.00 C ATOM 1532 C VAL A 101 4.804 21.755 -14.839 1.00 0.00 C ATOM 1533 O VAL A 101 5.600 20.998 -15.358 1.00 0.00 O ATOM 1534 CB VAL A 101 5.669 22.543 -12.606 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.041 21.946 -12.928 1.00 0.00 C ATOM 1536 CG2 VAL A 101 5.628 24.001 -13.071 1.00 0.00 C ATOM 0 H VAL A 101 5.108 19.683 -13.432 1.00 0.00 H new ATOM 0 HA VAL A 101 3.586 22.175 -13.153 1.00 0.00 H new ATOM 0 HB VAL A 101 5.500 22.496 -11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.815 22.516 -12.414 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.073 20.908 -12.596 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.213 21.988 -14.004 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.407 24.568 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.794 24.044 -14.147 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.654 24.430 -12.836 1.00 0.00 H new ATOM 1546 N ILE A 102 4.108 22.601 -15.549 1.00 0.00 N ATOM 1547 CA ILE A 102 4.286 22.649 -17.033 1.00 0.00 C ATOM 1548 C ILE A 102 5.563 23.420 -17.389 1.00 0.00 C ATOM 1549 O ILE A 102 5.857 24.455 -16.822 1.00 0.00 O ATOM 1550 CB ILE A 102 3.032 23.353 -17.599 1.00 0.00 C ATOM 1551 CG1 ILE A 102 3.158 24.886 -17.486 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.778 22.883 -16.851 1.00 0.00 C ATOM 1553 CD1 ILE A 102 3.220 25.317 -16.017 1.00 0.00 C ATOM 0 H ILE A 102 3.427 23.259 -15.170 1.00 0.00 H new ATOM 0 HA ILE A 102 4.391 21.651 -17.458 1.00 0.00 H new ATOM 0 HB ILE A 102 2.946 23.089 -18.653 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.055 25.222 -18.007 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.308 25.363 -17.975 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.901 23.386 -17.259 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.666 21.805 -16.970 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.874 23.123 -15.792 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.309 26.402 -15.960 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.311 25.000 -15.506 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.084 24.856 -15.539 1.00 0.00 H new