USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 466 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 31 CYS SG : rot 140:sc= 0.777 USER MOD Set 1.2: A 34 CYS SG : rot -65:sc= 1.58 USER MOD Set 1.3: A 84 CYS SG : rot 148:sc= 0.298 USER MOD Set 1.4: A 87 CYS SG : rot -130:sc= 1.56 USER MOD Set 2.1: A 48 CYS SG : rot 110:sc= -0.366 USER MOD Set 2.2: A 51 CYS SG : rot -127:sc= 0.455 USER MOD Set 2.3: A 70 CYS SG : rot 150:sc= -0.821 USER MOD Set 2.4: A 73 CYS SG : rot -72:sc= 1.39 USER MOD Single : A 28 MET CE :methyl -173:sc= 0 (180deg=-0.0948) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0131) USER MOD Single : A 39 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.84) USER MOD Single : A 43 THR OG1 : rot -42:sc= -0.855 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -92:sc= 0.00107 USER MOD Single : A 56 MET CE :methyl -179:sc= -3.87! (180deg=-3.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0483 K(o=0.048,f=-0.64) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -165:sc= -0.76 (180deg=-0.825) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -39:sc= 0.529 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= -0.102 (180deg=-0.54) USER MOD ----------------------------------------------------------------- ATOM 381 N MET A 28 18.428 22.140 -10.114 1.00 0.00 N ATOM 382 CA MET A 28 18.089 20.722 -10.147 1.00 0.00 C ATOM 383 C MET A 28 18.795 20.021 -11.303 1.00 0.00 C ATOM 384 O MET A 28 18.574 20.350 -12.468 1.00 0.00 O ATOM 385 CB MET A 28 16.575 20.541 -10.273 1.00 0.00 C ATOM 386 CG MET A 28 15.843 20.603 -8.942 1.00 0.00 C ATOM 387 SD MET A 28 15.679 18.985 -8.163 1.00 0.00 S ATOM 388 CE MET A 28 16.622 19.235 -6.661 1.00 0.00 C ATOM 0 HA MET A 28 18.425 20.271 -9.213 1.00 0.00 H new ATOM 0 HB2 MET A 28 16.179 21.313 -10.933 1.00 0.00 H new ATOM 0 HB3 MET A 28 16.370 19.581 -10.747 1.00 0.00 H new ATOM 0 HG2 MET A 28 16.377 21.273 -8.269 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.852 21.030 -9.096 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.719 18.288 -6.131 1.00 0.00 H new ATOM 0 HE2 MET A 28 17.613 19.614 -6.912 1.00 0.00 H new ATOM 0 HE3 MET A 28 16.109 19.956 -6.025 1.00 0.00 H new ATOM 398 N ASP A 29 19.644 19.054 -10.973 1.00 0.00 N ATOM 399 CA ASP A 29 20.382 18.306 -11.984 1.00 0.00 C ATOM 400 C ASP A 29 20.339 16.810 -11.692 1.00 0.00 C ATOM 401 O ASP A 29 19.858 16.384 -10.641 1.00 0.00 O ATOM 402 CB ASP A 29 21.833 18.785 -12.045 1.00 0.00 C ATOM 403 CG ASP A 29 22.538 18.337 -13.311 1.00 0.00 C ATOM 404 OD1 ASP A 29 21.854 18.165 -14.342 1.00 0.00 O ATOM 405 OD2 ASP A 29 23.773 18.160 -13.271 1.00 0.00 O ATOM 0 H ASP A 29 19.838 18.770 -10.013 1.00 0.00 H new ATOM 0 HA ASP A 29 19.908 18.483 -12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 29 21.856 19.873 -11.985 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.374 18.407 -11.178 1.00 0.00 H new ATOM 410 N THR A 30 20.845 16.014 -12.629 1.00 0.00 N ATOM 411 CA THR A 30 20.863 14.565 -12.473 1.00 0.00 C ATOM 412 C THR A 30 21.755 14.147 -11.310 1.00 0.00 C ATOM 413 O THR A 30 22.906 14.574 -11.212 1.00 0.00 O ATOM 414 CB THR A 30 21.353 13.868 -13.757 1.00 0.00 C ATOM 415 OG1 THR A 30 20.670 14.403 -14.896 1.00 0.00 O ATOM 416 CG2 THR A 30 21.121 12.367 -13.680 1.00 0.00 C ATOM 0 H THR A 30 21.248 16.349 -13.504 1.00 0.00 H new ATOM 0 HA THR A 30 19.838 14.257 -12.269 1.00 0.00 H new ATOM 0 HB THR A 30 22.423 14.050 -13.857 1.00 0.00 H new ATOM 0 HG1 THR A 30 20.988 13.956 -15.708 1.00 0.00 H new ATOM 0 HG21 THR A 30 21.475 11.897 -14.597 1.00 0.00 H new ATOM 0 HG22 THR A 30 21.666 11.958 -12.829 1.00 0.00 H new ATOM 0 HG23 THR A 30 20.056 12.169 -13.558 1.00 0.00 H new ATOM 424 N CYS A 31 21.217 13.311 -10.429 1.00 0.00 N ATOM 425 CA CYS A 31 21.964 12.834 -9.271 1.00 0.00 C ATOM 426 C CYS A 31 23.348 12.340 -9.682 1.00 0.00 C ATOM 427 O CYS A 31 23.597 12.069 -10.856 1.00 0.00 O ATOM 428 CB CYS A 31 21.197 11.712 -8.569 1.00 0.00 C ATOM 429 SG CYS A 31 21.873 11.254 -6.941 1.00 0.00 S ATOM 0 H CYS A 31 20.266 12.949 -10.495 1.00 0.00 H new ATOM 0 HA CYS A 31 22.086 13.668 -8.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 20.158 12.018 -8.446 1.00 0.00 H new ATOM 0 HB3 CYS A 31 21.195 10.831 -9.211 1.00 0.00 H new ATOM 0 HG CYS A 31 20.896 11.032 -6.112 1.00 0.00 H new ATOM 434 N GLU A 32 24.243 12.226 -8.706 1.00 0.00 N ATOM 435 CA GLU A 32 25.602 11.766 -8.967 1.00 0.00 C ATOM 436 C GLU A 32 25.867 10.432 -8.275 1.00 0.00 C ATOM 437 O GLU A 32 26.597 9.586 -8.792 1.00 0.00 O ATOM 438 CB GLU A 32 26.617 12.808 -8.495 1.00 0.00 C ATOM 439 CG GLU A 32 26.411 14.182 -9.111 1.00 0.00 C ATOM 440 CD GLU A 32 27.415 15.202 -8.610 1.00 0.00 C ATOM 441 OE1 GLU A 32 28.509 15.300 -9.203 1.00 0.00 O ATOM 442 OE2 GLU A 32 27.104 15.904 -7.624 1.00 0.00 O ATOM 0 H GLU A 32 24.052 12.446 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 32 25.710 11.626 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 32 26.559 12.893 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 32 27.621 12.459 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.487 14.105 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.403 14.529 -8.886 1.00 0.00 H new ATOM 449 N ARG A 33 25.268 10.251 -7.102 1.00 0.00 N ATOM 450 CA ARG A 33 25.439 9.022 -6.337 1.00 0.00 C ATOM 451 C ARG A 33 24.826 7.834 -7.073 1.00 0.00 C ATOM 452 O ARG A 33 25.405 6.748 -7.113 1.00 0.00 O ATOM 453 CB ARG A 33 24.802 9.163 -4.954 1.00 0.00 C ATOM 454 CG ARG A 33 25.432 8.269 -3.899 1.00 0.00 C ATOM 455 CD ARG A 33 25.066 8.722 -2.494 1.00 0.00 C ATOM 456 NE ARG A 33 25.883 8.065 -1.477 1.00 0.00 N ATOM 457 CZ ARG A 33 27.143 8.398 -1.220 1.00 0.00 C ATOM 458 NH1 ARG A 33 27.727 9.374 -1.901 1.00 0.00 N ATOM 459 NH2 ARG A 33 27.822 7.754 -0.279 1.00 0.00 N ATOM 0 H ARG A 33 24.660 10.941 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 33 26.508 8.843 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.880 10.201 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 33 23.740 8.931 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.103 7.241 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.516 8.277 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.191 9.802 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.014 8.509 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 33 25.463 7.310 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 33 27.209 9.872 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.695 9.627 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.376 7.003 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 33 28.789 8.010 -0.082 1.00 0.00 H new ATOM 473 N CYS A 34 23.650 8.048 -7.653 1.00 0.00 N ATOM 474 CA CYS A 34 22.956 6.996 -8.387 1.00 0.00 C ATOM 475 C CYS A 34 23.039 7.236 -9.891 1.00 0.00 C ATOM 476 O CYS A 34 22.702 6.363 -10.689 1.00 0.00 O ATOM 477 CB CYS A 34 21.492 6.921 -7.950 1.00 0.00 C ATOM 478 SG CYS A 34 20.522 8.413 -8.343 1.00 0.00 S ATOM 0 H CYS A 34 23.157 8.941 -7.629 1.00 0.00 H new ATOM 0 HA CYS A 34 23.444 6.048 -8.162 1.00 0.00 H new ATOM 0 HB2 CYS A 34 21.025 6.060 -8.428 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.453 6.748 -6.875 1.00 0.00 H new ATOM 0 HG CYS A 34 20.988 9.423 -7.671 1.00 0.00 H new ATOM 483 N ASN A 35 23.489 8.428 -10.270 1.00 0.00 N ATOM 484 CA ASN A 35 23.616 8.784 -11.679 1.00 0.00 C ATOM 485 C ASN A 35 22.254 8.779 -12.366 1.00 0.00 C ATOM 486 O ASN A 35 22.125 8.342 -13.509 1.00 0.00 O ATOM 487 CB ASN A 35 24.562 7.814 -12.389 1.00 0.00 C ATOM 488 CG ASN A 35 26.006 8.003 -11.968 1.00 0.00 C ATOM 489 OD1 ASN A 35 26.622 9.027 -12.263 1.00 0.00 O ATOM 490 ND2 ASN A 35 26.555 7.012 -11.275 1.00 0.00 N ATOM 0 H ASN A 35 23.772 9.163 -9.622 1.00 0.00 H new ATOM 0 HA ASN A 35 24.029 9.791 -11.738 1.00 0.00 H new ATOM 0 HB2 ASN A 35 24.255 6.790 -12.176 1.00 0.00 H new ATOM 0 HB3 ASN A 35 24.479 7.954 -13.467 1.00 0.00 H new ATOM 0 HD21 ASN A 35 27.524 7.082 -10.965 1.00 0.00 H new ATOM 0 HD22 ASN A 35 26.007 6.181 -11.052 1.00 0.00 H new ATOM 497 N GLY A 36 21.238 9.268 -11.660 1.00 0.00 N ATOM 498 CA GLY A 36 19.899 9.311 -12.218 1.00 0.00 C ATOM 499 C GLY A 36 19.269 7.936 -12.317 1.00 0.00 C ATOM 500 O GLY A 36 18.490 7.666 -13.232 1.00 0.00 O ATOM 0 H GLY A 36 21.319 9.635 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.271 9.952 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.936 9.763 -13.209 1.00 0.00 H new ATOM 504 N LYS A 37 19.606 7.063 -11.375 1.00 0.00 N ATOM 505 CA LYS A 37 19.068 5.707 -11.359 1.00 0.00 C ATOM 506 C LYS A 37 18.006 5.556 -10.274 1.00 0.00 C ATOM 507 O LYS A 37 16.914 5.050 -10.527 1.00 0.00 O ATOM 508 CB LYS A 37 20.192 4.693 -11.132 1.00 0.00 C ATOM 509 CG LYS A 37 21.187 4.623 -12.277 1.00 0.00 C ATOM 510 CD LYS A 37 20.615 3.872 -13.468 1.00 0.00 C ATOM 511 CE LYS A 37 20.640 2.368 -13.243 1.00 0.00 C ATOM 512 NZ LYS A 37 22.005 1.802 -13.430 1.00 0.00 N ATOM 0 H LYS A 37 20.250 7.270 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 37 18.604 5.515 -12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.723 4.950 -10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.755 3.706 -10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.464 5.632 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.098 4.130 -11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.590 4.197 -13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.187 4.117 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.290 2.146 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.949 1.886 -13.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 21.962 0.765 -13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 22.371 2.079 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.637 2.167 -12.689 1.00 0.00 H new ATOM 526 N GLY A 38 18.335 6.000 -9.064 1.00 0.00 N ATOM 527 CA GLY A 38 17.398 5.906 -7.960 1.00 0.00 C ATOM 528 C GLY A 38 17.721 4.760 -7.022 1.00 0.00 C ATOM 529 O GLY A 38 16.826 4.183 -6.405 1.00 0.00 O ATOM 0 H GLY A 38 19.233 6.423 -8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.405 6.842 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.390 5.777 -8.353 1.00 0.00 H new ATOM 533 N ASN A 39 19.003 4.428 -6.915 1.00 0.00 N ATOM 534 CA ASN A 39 19.442 3.342 -6.046 1.00 0.00 C ATOM 535 C ASN A 39 20.892 3.540 -5.617 1.00 0.00 C ATOM 536 O ASN A 39 21.661 4.223 -6.292 1.00 0.00 O ATOM 537 CB ASN A 39 19.289 1.997 -6.760 1.00 0.00 C ATOM 538 CG ASN A 39 20.304 1.814 -7.872 1.00 0.00 C ATOM 539 OD1 ASN A 39 20.253 2.500 -8.893 1.00 0.00 O ATOM 540 ND2 ASN A 39 21.234 0.886 -7.677 1.00 0.00 N ATOM 0 H ASN A 39 19.756 4.895 -7.419 1.00 0.00 H new ATOM 0 HA ASN A 39 18.815 3.347 -5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 39 19.398 1.190 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.283 1.921 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.945 0.718 -8.389 1.00 0.00 H new ATOM 0 HD22 ASN A 39 21.238 0.341 -6.815 1.00 0.00 H new ATOM 547 N GLU A 40 21.258 2.938 -4.489 1.00 0.00 N ATOM 548 CA GLU A 40 22.616 3.049 -3.970 1.00 0.00 C ATOM 549 C GLU A 40 23.620 2.428 -4.937 1.00 0.00 C ATOM 550 O GLU A 40 23.389 1.365 -5.513 1.00 0.00 O ATOM 551 CB GLU A 40 22.720 2.371 -2.603 1.00 0.00 C ATOM 552 CG GLU A 40 21.981 3.108 -1.499 1.00 0.00 C ATOM 553 CD GLU A 40 22.853 4.128 -0.793 1.00 0.00 C ATOM 554 OE1 GLU A 40 23.045 5.231 -1.346 1.00 0.00 O ATOM 555 OE2 GLU A 40 23.344 3.821 0.314 1.00 0.00 O ATOM 0 H GLU A 40 20.633 2.369 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 40 22.851 4.108 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 40 22.326 1.358 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 23.771 2.284 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.111 3.610 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 40 21.610 2.387 -0.771 1.00 0.00 H new ATOM 562 N PRO A 41 24.763 3.107 -5.119 1.00 0.00 N ATOM 563 CA PRO A 41 25.826 2.641 -6.014 1.00 0.00 C ATOM 564 C PRO A 41 26.533 1.401 -5.479 1.00 0.00 C ATOM 565 O PRO A 41 27.503 0.925 -6.067 1.00 0.00 O ATOM 566 CB PRO A 41 26.792 3.827 -6.065 1.00 0.00 C ATOM 567 CG PRO A 41 26.563 4.557 -4.787 1.00 0.00 C ATOM 568 CD PRO A 41 25.105 4.380 -4.464 1.00 0.00 C ATOM 0 HA PRO A 41 25.438 2.347 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.826 3.492 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.592 4.464 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.190 4.156 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 41 26.814 5.613 -4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 41 24.934 4.337 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 41 24.505 5.204 -4.850 1.00 0.00 H new ATOM 576 N GLY A 42 26.040 0.881 -4.359 1.00 0.00 N ATOM 577 CA GLY A 42 26.638 -0.300 -3.763 1.00 0.00 C ATOM 578 C GLY A 42 25.603 -1.331 -3.358 1.00 0.00 C ATOM 579 O GLY A 42 25.821 -2.108 -2.427 1.00 0.00 O ATOM 0 H GLY A 42 25.237 1.256 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.335 -0.748 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.218 -0.008 -2.887 1.00 0.00 H new ATOM 583 N THR A 43 24.472 -1.339 -4.056 1.00 0.00 N ATOM 584 CA THR A 43 23.399 -2.280 -3.762 1.00 0.00 C ATOM 585 C THR A 43 22.881 -2.939 -5.035 1.00 0.00 C ATOM 586 O THR A 43 23.153 -2.474 -6.142 1.00 0.00 O ATOM 587 CB THR A 43 22.226 -1.588 -3.042 1.00 0.00 C ATOM 588 OG1 THR A 43 21.759 -0.480 -3.820 1.00 0.00 O ATOM 589 CG2 THR A 43 22.648 -1.104 -1.663 1.00 0.00 C ATOM 0 H THR A 43 24.275 -0.704 -4.829 1.00 0.00 H new ATOM 0 HA THR A 43 23.819 -3.043 -3.106 1.00 0.00 H new ATOM 0 HB THR A 43 21.421 -2.314 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.526 0.012 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 43 21.804 -0.619 -1.174 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.976 -1.954 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 43 23.468 -0.392 -1.762 1.00 0.00 H new ATOM 597 N LYS A 44 22.131 -4.024 -4.872 1.00 0.00 N ATOM 598 CA LYS A 44 21.572 -4.746 -6.008 1.00 0.00 C ATOM 599 C LYS A 44 20.114 -4.359 -6.236 1.00 0.00 C ATOM 600 O LYS A 44 19.567 -3.516 -5.524 1.00 0.00 O ATOM 601 CB LYS A 44 21.680 -6.256 -5.782 1.00 0.00 C ATOM 602 CG LYS A 44 22.975 -6.857 -6.299 1.00 0.00 C ATOM 603 CD LYS A 44 22.980 -6.952 -7.816 1.00 0.00 C ATOM 604 CE LYS A 44 24.217 -7.675 -8.326 1.00 0.00 C ATOM 605 NZ LYS A 44 25.457 -6.885 -8.089 1.00 0.00 N ATOM 0 H LYS A 44 21.896 -4.423 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 44 22.144 -4.475 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.594 -6.462 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.840 -6.749 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.817 -6.248 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.113 -7.850 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 44 22.086 -7.478 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.940 -5.950 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.302 -8.642 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 24.109 -7.871 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 26.269 -7.379 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.359 -5.946 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 25.610 -6.777 -7.066 1.00 0.00 H new ATOM 619 N VAL A 45 19.490 -4.980 -7.232 1.00 0.00 N ATOM 620 CA VAL A 45 18.095 -4.701 -7.551 1.00 0.00 C ATOM 621 C VAL A 45 17.345 -5.982 -7.900 1.00 0.00 C ATOM 622 O VAL A 45 17.940 -6.954 -8.365 1.00 0.00 O ATOM 623 CB VAL A 45 17.975 -3.713 -8.726 1.00 0.00 C ATOM 624 CG1 VAL A 45 16.520 -3.547 -9.138 1.00 0.00 C ATOM 625 CG2 VAL A 45 18.590 -2.371 -8.359 1.00 0.00 C ATOM 0 H VAL A 45 19.928 -5.679 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 45 17.650 -4.253 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 45 18.524 -4.118 -9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.455 -2.845 -9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 45 16.116 -4.512 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 45 15.944 -3.165 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 45 18.496 -1.685 -9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 45 18.071 -1.957 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 45 19.644 -2.508 -8.118 1.00 0.00 H new ATOM 635 N GLN A 46 16.036 -5.975 -7.673 1.00 0.00 N ATOM 636 CA GLN A 46 15.204 -7.137 -7.963 1.00 0.00 C ATOM 637 C GLN A 46 14.191 -6.822 -9.058 1.00 0.00 C ATOM 638 O GLN A 46 13.778 -5.674 -9.224 1.00 0.00 O ATOM 639 CB GLN A 46 14.478 -7.600 -6.698 1.00 0.00 C ATOM 640 CG GLN A 46 15.413 -8.110 -5.613 1.00 0.00 C ATOM 641 CD GLN A 46 14.710 -9.006 -4.612 1.00 0.00 C ATOM 642 OE1 GLN A 46 14.980 -10.204 -4.537 1.00 0.00 O ATOM 643 NE2 GLN A 46 13.802 -8.427 -3.835 1.00 0.00 N ATOM 0 H GLN A 46 15.528 -5.178 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 46 15.854 -7.938 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.892 -6.771 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.775 -8.390 -6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.233 -8.660 -6.074 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.853 -7.261 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.610 -7.430 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.297 -8.979 -3.142 1.00 0.00 H new ATOM 652 N HIS A 47 13.795 -7.848 -9.805 1.00 0.00 N ATOM 653 CA HIS A 47 12.830 -7.680 -10.885 1.00 0.00 C ATOM 654 C HIS A 47 11.416 -7.528 -10.331 1.00 0.00 C ATOM 655 O HIS A 47 10.994 -8.288 -9.459 1.00 0.00 O ATOM 656 CB HIS A 47 12.890 -8.872 -11.841 1.00 0.00 C ATOM 657 CG HIS A 47 11.844 -8.834 -12.912 1.00 0.00 C ATOM 658 ND1 HIS A 47 11.831 -7.891 -13.919 1.00 0.00 N ATOM 659 CD2 HIS A 47 10.772 -9.630 -13.132 1.00 0.00 C ATOM 660 CE1 HIS A 47 10.796 -8.109 -14.710 1.00 0.00 C ATOM 661 NE2 HIS A 47 10.137 -9.159 -14.254 1.00 0.00 N ATOM 0 H HIS A 47 14.128 -8.804 -9.682 1.00 0.00 H new ATOM 0 HA HIS A 47 13.087 -6.772 -11.431 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.875 -8.904 -12.307 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.778 -9.793 -11.268 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.472 -10.479 -12.535 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.533 -7.528 -15.581 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.293 -9.555 -14.668 1.00 0.00 H new ATOM 669 N CYS A 48 10.689 -6.540 -10.843 1.00 0.00 N ATOM 670 CA CYS A 48 9.323 -6.287 -10.400 1.00 0.00 C ATOM 671 C CYS A 48 8.322 -7.065 -11.249 1.00 0.00 C ATOM 672 O CYS A 48 8.457 -7.144 -12.470 1.00 0.00 O ATOM 673 CB CYS A 48 9.012 -4.790 -10.469 1.00 0.00 C ATOM 674 SG CYS A 48 7.523 -4.297 -9.544 1.00 0.00 S ATOM 0 H CYS A 48 11.023 -5.902 -11.565 1.00 0.00 H new ATOM 0 HA CYS A 48 9.235 -6.623 -9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.867 -4.234 -10.084 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.890 -4.503 -11.513 1.00 0.00 H new ATOM 0 HG CYS A 48 7.870 -3.606 -8.499 1.00 0.00 H new ATOM 679 N HIS A 49 7.319 -7.639 -10.592 1.00 0.00 N ATOM 680 CA HIS A 49 6.294 -8.411 -11.286 1.00 0.00 C ATOM 681 C HIS A 49 5.075 -7.546 -11.591 1.00 0.00 C ATOM 682 O HIS A 49 4.518 -7.604 -12.687 1.00 0.00 O ATOM 683 CB HIS A 49 5.880 -9.620 -10.446 1.00 0.00 C ATOM 684 CG HIS A 49 7.009 -10.557 -10.147 1.00 0.00 C ATOM 685 ND1 HIS A 49 7.703 -11.236 -11.126 1.00 0.00 N ATOM 686 CD2 HIS A 49 7.566 -10.925 -8.969 1.00 0.00 C ATOM 687 CE1 HIS A 49 8.637 -11.982 -10.563 1.00 0.00 C ATOM 688 NE2 HIS A 49 8.574 -11.812 -9.255 1.00 0.00 N ATOM 0 H HIS A 49 7.194 -7.584 -9.581 1.00 0.00 H new ATOM 0 HA HIS A 49 6.714 -8.760 -12.229 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.451 -9.270 -9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.096 -10.165 -10.971 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.272 -10.584 -7.987 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.334 -12.622 -11.084 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.177 -12.266 -8.569 1.00 0.00 H new ATOM 696 N TYR A 50 4.665 -6.746 -10.613 1.00 0.00 N ATOM 697 CA TYR A 50 3.510 -5.871 -10.775 1.00 0.00 C ATOM 698 C TYR A 50 3.402 -5.372 -12.213 1.00 0.00 C ATOM 699 O TYR A 50 2.419 -5.642 -12.904 1.00 0.00 O ATOM 700 CB TYR A 50 3.605 -4.683 -9.817 1.00 0.00 C ATOM 701 CG TYR A 50 2.909 -4.914 -8.495 1.00 0.00 C ATOM 702 CD1 TYR A 50 3.327 -5.921 -7.634 1.00 0.00 C ATOM 703 CD2 TYR A 50 1.832 -4.126 -8.107 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.694 -6.136 -6.425 1.00 0.00 C ATOM 705 CE2 TYR A 50 1.194 -4.333 -6.900 1.00 0.00 C ATOM 706 CZ TYR A 50 1.628 -5.339 -6.062 1.00 0.00 C ATOM 707 OH TYR A 50 0.994 -5.550 -4.859 1.00 0.00 O ATOM 0 H TYR A 50 5.115 -6.685 -9.700 1.00 0.00 H new ATOM 0 HA TYR A 50 2.615 -6.447 -10.541 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.656 -4.460 -9.631 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.173 -3.805 -10.297 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.161 -6.547 -7.915 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.488 -3.338 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.032 -6.924 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.359 -3.710 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 50 0.265 -4.903 -4.755 1.00 0.00 H new ATOM 717 N CYS A 51 4.420 -4.643 -12.657 1.00 0.00 N ATOM 718 CA CYS A 51 4.442 -4.105 -14.012 1.00 0.00 C ATOM 719 C CYS A 51 5.151 -5.063 -14.966 1.00 0.00 C ATOM 720 O CYS A 51 4.739 -5.233 -16.112 1.00 0.00 O ATOM 721 CB CYS A 51 5.137 -2.742 -14.031 1.00 0.00 C ATOM 722 SG CYS A 51 6.715 -2.699 -13.121 1.00 0.00 S ATOM 0 H CYS A 51 5.241 -4.411 -12.098 1.00 0.00 H new ATOM 0 HA CYS A 51 3.411 -3.984 -14.345 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.319 -2.453 -15.066 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.464 -1.997 -13.606 1.00 0.00 H new ATOM 0 HG CYS A 51 6.699 -1.716 -12.270 1.00 0.00 H new ATOM 727 N GLY A 52 6.222 -5.686 -14.482 1.00 0.00 N ATOM 728 CA GLY A 52 6.971 -6.619 -15.304 1.00 0.00 C ATOM 729 C GLY A 52 8.063 -5.938 -16.105 1.00 0.00 C ATOM 730 O GLY A 52 8.572 -6.498 -17.075 1.00 0.00 O ATOM 0 H GLY A 52 6.584 -5.561 -13.536 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.415 -7.384 -14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.289 -7.128 -15.985 1.00 0.00 H new ATOM 734 N GLY A 53 8.423 -4.724 -15.700 1.00 0.00 N ATOM 735 CA GLY A 53 9.458 -3.985 -16.399 1.00 0.00 C ATOM 736 C GLY A 53 8.893 -2.883 -17.273 1.00 0.00 C ATOM 737 O GLY A 53 9.596 -2.334 -18.122 1.00 0.00 O ATOM 0 H GLY A 53 8.016 -4.239 -14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.145 -3.552 -15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.038 -4.672 -17.015 1.00 0.00 H new ATOM 741 N SER A 54 7.620 -2.560 -17.068 1.00 0.00 N ATOM 742 CA SER A 54 6.960 -1.521 -17.848 1.00 0.00 C ATOM 743 C SER A 54 6.639 -0.309 -16.978 1.00 0.00 C ATOM 744 O SER A 54 6.330 0.768 -17.484 1.00 0.00 O ATOM 745 CB SER A 54 5.676 -2.064 -18.479 1.00 0.00 C ATOM 746 OG SER A 54 4.642 -2.173 -17.516 1.00 0.00 O ATOM 0 H SER A 54 7.025 -3.003 -16.368 1.00 0.00 H new ATOM 0 HA SER A 54 7.641 -1.208 -18.639 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.357 -1.405 -19.287 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.869 -3.041 -18.922 1.00 0.00 H new ATOM 0 HG SER A 54 4.648 -3.074 -17.130 1.00 0.00 H new ATOM 752 N GLY A 55 6.716 -0.495 -15.664 1.00 0.00 N ATOM 753 CA GLY A 55 6.432 0.590 -14.743 1.00 0.00 C ATOM 754 C GLY A 55 4.970 0.990 -14.753 1.00 0.00 C ATOM 755 O GLY A 55 4.625 2.113 -14.386 1.00 0.00 O ATOM 0 H GLY A 55 6.970 -1.378 -15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.717 0.290 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.044 1.454 -15.004 1.00 0.00 H new ATOM 759 N MET A 56 4.109 0.070 -15.175 1.00 0.00 N ATOM 760 CA MET A 56 2.676 0.334 -15.232 1.00 0.00 C ATOM 761 C MET A 56 1.899 -0.705 -14.429 1.00 0.00 C ATOM 762 O MET A 56 2.178 -1.901 -14.512 1.00 0.00 O ATOM 763 CB MET A 56 2.193 0.338 -16.684 1.00 0.00 C ATOM 764 CG MET A 56 1.027 1.281 -16.934 1.00 0.00 C ATOM 765 SD MET A 56 -0.478 0.763 -16.088 1.00 0.00 S ATOM 766 CE MET A 56 -1.059 2.329 -15.441 1.00 0.00 C ATOM 0 H MET A 56 4.378 -0.865 -15.482 1.00 0.00 H new ATOM 0 HA MET A 56 2.496 1.316 -14.794 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.022 0.619 -17.333 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.898 -0.674 -16.963 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.298 2.284 -16.604 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.835 1.339 -18.005 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.977 2.171 -14.875 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.299 2.757 -14.788 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.255 3.013 -16.266 1.00 0.00 H new ATOM 776 N GLU A 57 0.925 -0.240 -13.654 1.00 0.00 N ATOM 777 CA GLU A 57 0.110 -1.131 -12.836 1.00 0.00 C ATOM 778 C GLU A 57 -1.363 -1.028 -13.221 1.00 0.00 C ATOM 779 O GLU A 57 -1.812 -0.003 -13.736 1.00 0.00 O ATOM 780 CB GLU A 57 0.285 -0.800 -11.352 1.00 0.00 C ATOM 781 CG GLU A 57 -0.912 -1.183 -10.498 1.00 0.00 C ATOM 782 CD GLU A 57 -0.635 -1.050 -9.013 1.00 0.00 C ATOM 783 OE1 GLU A 57 0.551 -0.932 -8.639 1.00 0.00 O ATOM 784 OE2 GLU A 57 -1.603 -1.065 -8.224 1.00 0.00 O ATOM 0 H GLU A 57 0.681 0.747 -13.575 1.00 0.00 H new ATOM 0 HA GLU A 57 0.444 -2.153 -13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.169 -1.315 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.469 0.269 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.760 -0.552 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.198 -2.211 -10.720 1.00 0.00 H new ATOM 791 N THR A 58 -2.111 -2.097 -12.968 1.00 0.00 N ATOM 792 CA THR A 58 -3.533 -2.129 -13.289 1.00 0.00 C ATOM 793 C THR A 58 -4.363 -2.510 -12.070 1.00 0.00 C ATOM 794 O THR A 58 -4.038 -3.461 -11.358 1.00 0.00 O ATOM 795 CB THR A 58 -3.829 -3.122 -14.429 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.889 -2.940 -15.494 1.00 0.00 O ATOM 797 CG2 THR A 58 -5.243 -2.934 -14.957 1.00 0.00 C ATOM 0 H THR A 58 -1.756 -2.953 -12.542 1.00 0.00 H new ATOM 0 HA THR A 58 -3.807 -1.125 -13.612 1.00 0.00 H new ATOM 0 HB THR A 58 -3.737 -4.133 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.083 -3.576 -16.214 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.429 -3.646 -15.761 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.958 -3.102 -14.151 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.357 -1.919 -15.338 1.00 0.00 H new ATOM 805 N ILE A 59 -5.437 -1.764 -11.834 1.00 0.00 N ATOM 806 CA ILE A 59 -6.315 -2.026 -10.701 1.00 0.00 C ATOM 807 C ILE A 59 -7.649 -2.603 -11.161 1.00 0.00 C ATOM 808 O ILE A 59 -8.525 -1.876 -11.626 1.00 0.00 O ATOM 809 CB ILE A 59 -6.577 -0.746 -9.884 1.00 0.00 C ATOM 810 CG1 ILE A 59 -5.255 -0.126 -9.429 1.00 0.00 C ATOM 811 CG2 ILE A 59 -7.464 -1.055 -8.686 1.00 0.00 C ATOM 812 CD1 ILE A 59 -4.658 0.830 -10.438 1.00 0.00 C ATOM 0 H ILE A 59 -5.720 -0.973 -12.413 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.806 -2.753 -10.069 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.094 -0.027 -10.519 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.415 0.403 -8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.539 -0.923 -9.228 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.640 -0.141 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.416 -1.457 -9.032 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.971 -1.789 -8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.722 1.232 -10.049 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.466 0.301 -11.371 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.355 1.647 -10.622 1.00 0.00 H new ATOM 824 N ASN A 60 -7.797 -3.918 -11.026 1.00 0.00 N ATOM 825 CA ASN A 60 -9.025 -4.594 -11.427 1.00 0.00 C ATOM 826 C ASN A 60 -10.071 -4.525 -10.319 1.00 0.00 C ATOM 827 O ASN A 60 -10.015 -5.280 -9.348 1.00 0.00 O ATOM 828 CB ASN A 60 -8.736 -6.054 -11.780 1.00 0.00 C ATOM 829 CG ASN A 60 -7.413 -6.224 -12.503 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.356 -6.302 -11.877 1.00 0.00 O ATOM 831 ND2 ASN A 60 -7.467 -6.281 -13.829 1.00 0.00 N ATOM 0 H ASN A 60 -7.082 -4.536 -10.642 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.419 -4.085 -12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.728 -6.651 -10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.541 -6.440 -12.406 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.610 -6.394 -14.370 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.366 -6.212 -14.306 1.00 0.00 H new ATOM 838 N THR A 61 -11.027 -3.613 -10.471 1.00 0.00 N ATOM 839 CA THR A 61 -12.085 -3.444 -9.483 1.00 0.00 C ATOM 840 C THR A 61 -13.461 -3.593 -10.122 1.00 0.00 C ATOM 841 O THR A 61 -13.910 -2.719 -10.863 1.00 0.00 O ATOM 842 CB THR A 61 -11.997 -2.068 -8.795 1.00 0.00 C ATOM 843 OG1 THR A 61 -13.262 -1.727 -8.218 1.00 0.00 O ATOM 844 CG2 THR A 61 -11.581 -0.993 -9.787 1.00 0.00 C ATOM 0 H THR A 61 -11.090 -2.981 -11.269 1.00 0.00 H new ATOM 0 HA THR A 61 -11.948 -4.225 -8.735 1.00 0.00 H new ATOM 0 HB THR A 61 -11.244 -2.127 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.197 -0.852 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.526 -0.030 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.604 -1.240 -10.203 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.314 -0.937 -10.591 1.00 0.00 H new ATOM 852 N GLY A 62 -14.128 -4.705 -9.828 1.00 0.00 N ATOM 853 CA GLY A 62 -15.447 -4.948 -10.382 1.00 0.00 C ATOM 854 C GLY A 62 -15.421 -5.122 -11.888 1.00 0.00 C ATOM 855 O GLY A 62 -14.426 -5.558 -12.467 1.00 0.00 O ATOM 0 H GLY A 62 -13.778 -5.442 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.871 -5.841 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.104 -4.116 -10.127 1.00 0.00 H new ATOM 859 N PRO A 63 -16.537 -4.776 -12.547 1.00 0.00 N ATOM 860 CA PRO A 63 -16.664 -4.889 -14.003 1.00 0.00 C ATOM 861 C PRO A 63 -15.797 -3.874 -14.740 1.00 0.00 C ATOM 862 O PRO A 63 -15.772 -3.842 -15.971 1.00 0.00 O ATOM 863 CB PRO A 63 -18.147 -4.608 -14.253 1.00 0.00 C ATOM 864 CG PRO A 63 -18.576 -3.776 -13.093 1.00 0.00 C ATOM 865 CD PRO A 63 -17.761 -4.249 -11.921 1.00 0.00 C ATOM 0 HA PRO A 63 -16.334 -5.862 -14.367 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.297 -4.081 -15.195 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.721 -5.533 -14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -18.403 -2.717 -13.287 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.642 -3.895 -12.900 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.541 -3.435 -11.230 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.284 -5.017 -11.352 1.00 0.00 H new ATOM 873 N PHE A 64 -15.088 -3.046 -13.981 1.00 0.00 N ATOM 874 CA PHE A 64 -14.220 -2.029 -14.563 1.00 0.00 C ATOM 875 C PHE A 64 -12.792 -2.169 -14.042 1.00 0.00 C ATOM 876 O PHE A 64 -12.523 -2.964 -13.141 1.00 0.00 O ATOM 877 CB PHE A 64 -14.755 -0.631 -14.248 1.00 0.00 C ATOM 878 CG PHE A 64 -15.356 -0.514 -12.877 1.00 0.00 C ATOM 879 CD1 PHE A 64 -14.548 -0.361 -11.762 1.00 0.00 C ATOM 880 CD2 PHE A 64 -16.730 -0.555 -12.702 1.00 0.00 C ATOM 881 CE1 PHE A 64 -15.098 -0.254 -10.499 1.00 0.00 C ATOM 882 CE2 PHE A 64 -17.287 -0.449 -11.441 1.00 0.00 C ATOM 883 CZ PHE A 64 -16.470 -0.297 -10.338 1.00 0.00 C ATOM 0 H PHE A 64 -15.097 -3.059 -12.961 1.00 0.00 H new ATOM 0 HA PHE A 64 -14.209 -2.171 -15.644 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.943 0.090 -14.343 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -15.507 -0.363 -14.990 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.475 -0.325 -11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -17.374 -0.671 -13.561 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -14.456 -0.137 -9.638 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -18.359 -0.485 -11.319 1.00 0.00 H new ATOM 0 HZ PHE A 64 -16.902 -0.212 -9.352 1.00 0.00 H new ATOM 893 N VAL A 65 -11.881 -1.390 -14.615 1.00 0.00 N ATOM 894 CA VAL A 65 -10.481 -1.425 -14.209 1.00 0.00 C ATOM 895 C VAL A 65 -9.843 -0.044 -14.311 1.00 0.00 C ATOM 896 O VAL A 65 -10.206 0.755 -15.174 1.00 0.00 O ATOM 897 CB VAL A 65 -9.672 -2.416 -15.067 1.00 0.00 C ATOM 898 CG1 VAL A 65 -9.803 -2.075 -16.543 1.00 0.00 C ATOM 899 CG2 VAL A 65 -8.212 -2.423 -14.640 1.00 0.00 C ATOM 0 H VAL A 65 -12.087 -0.727 -15.362 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.462 -1.755 -13.170 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.076 -3.417 -14.913 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.225 -2.786 -17.133 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.851 -2.127 -16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.427 -1.067 -16.718 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.656 -3.129 -15.257 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.792 -1.425 -14.763 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.140 -2.721 -13.594 1.00 0.00 H new ATOM 909 N MET A 66 -8.891 0.229 -13.426 1.00 0.00 N ATOM 910 CA MET A 66 -8.201 1.514 -13.418 1.00 0.00 C ATOM 911 C MET A 66 -6.748 1.354 -13.852 1.00 0.00 C ATOM 912 O MET A 66 -6.258 0.236 -14.012 1.00 0.00 O ATOM 913 CB MET A 66 -8.264 2.142 -12.025 1.00 0.00 C ATOM 914 CG MET A 66 -9.602 1.947 -11.329 1.00 0.00 C ATOM 915 SD MET A 66 -10.886 3.036 -11.975 1.00 0.00 S ATOM 916 CE MET A 66 -12.247 1.886 -12.154 1.00 0.00 C ATOM 0 H MET A 66 -8.579 -0.422 -12.705 1.00 0.00 H new ATOM 0 HA MET A 66 -8.703 2.172 -14.128 1.00 0.00 H new ATOM 0 HB2 MET A 66 -7.476 1.713 -11.406 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.059 3.209 -12.107 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.919 0.910 -11.443 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.481 2.128 -10.261 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.019 2.331 -12.782 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.888 0.967 -12.617 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.663 1.659 -11.172 1.00 0.00 H new ATOM 926 N ARG A 67 -6.064 2.478 -14.040 1.00 0.00 N ATOM 927 CA ARG A 67 -4.666 2.461 -14.456 1.00 0.00 C ATOM 928 C ARG A 67 -3.849 3.473 -13.659 1.00 0.00 C ATOM 929 O ARG A 67 -4.138 4.670 -13.675 1.00 0.00 O ATOM 930 CB ARG A 67 -4.554 2.763 -15.951 1.00 0.00 C ATOM 931 CG ARG A 67 -5.170 1.692 -16.837 1.00 0.00 C ATOM 932 CD ARG A 67 -4.157 0.616 -17.196 1.00 0.00 C ATOM 933 NE ARG A 67 -3.273 1.035 -18.280 1.00 0.00 N ATOM 934 CZ ARG A 67 -2.581 0.188 -19.033 1.00 0.00 C ATOM 935 NH1 ARG A 67 -2.670 -1.118 -18.821 1.00 0.00 N ATOM 936 NH2 ARG A 67 -1.797 0.646 -20.001 1.00 0.00 N ATOM 0 H ARG A 67 -6.455 3.411 -13.911 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.267 1.465 -14.262 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.039 3.717 -16.158 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.502 2.878 -16.212 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.018 1.238 -16.325 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.555 2.149 -17.748 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.561 0.372 -16.317 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.682 -0.293 -17.488 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.182 2.033 -18.469 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.271 -1.474 -18.078 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.137 -1.766 -19.401 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.725 1.650 -20.167 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.266 -0.006 -20.579 1.00 0.00 H new ATOM 950 N SER A 68 -2.829 2.984 -12.962 1.00 0.00 N ATOM 951 CA SER A 68 -1.972 3.845 -12.154 1.00 0.00 C ATOM 952 C SER A 68 -0.537 3.327 -12.142 1.00 0.00 C ATOM 953 O SER A 68 -0.297 2.125 -12.260 1.00 0.00 O ATOM 954 CB SER A 68 -2.506 3.934 -10.724 1.00 0.00 C ATOM 955 OG SER A 68 -2.165 5.175 -10.128 1.00 0.00 O ATOM 0 H SER A 68 -2.575 1.996 -12.940 1.00 0.00 H new ATOM 0 HA SER A 68 -1.976 4.840 -12.599 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.589 3.815 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.098 3.117 -10.129 1.00 0.00 H new ATOM 0 HG SER A 68 -2.519 5.208 -9.215 1.00 0.00 H new ATOM 961 N THR A 69 0.415 4.243 -12.000 1.00 0.00 N ATOM 962 CA THR A 69 1.827 3.881 -11.973 1.00 0.00 C ATOM 963 C THR A 69 2.115 2.873 -10.867 1.00 0.00 C ATOM 964 O THR A 69 1.673 3.041 -9.729 1.00 0.00 O ATOM 965 CB THR A 69 2.721 5.119 -11.770 1.00 0.00 C ATOM 966 OG1 THR A 69 2.286 6.183 -12.625 1.00 0.00 O ATOM 967 CG2 THR A 69 4.177 4.789 -12.064 1.00 0.00 C ATOM 0 H THR A 69 0.234 5.242 -11.902 1.00 0.00 H new ATOM 0 HA THR A 69 2.056 3.431 -12.939 1.00 0.00 H new ATOM 0 HB THR A 69 2.639 5.433 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.858 6.967 -12.489 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.789 5.678 -11.914 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.514 3.999 -11.393 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.273 4.453 -13.096 1.00 0.00 H new ATOM 975 N CYS A 70 2.860 1.826 -11.206 1.00 0.00 N ATOM 976 CA CYS A 70 3.208 0.790 -10.241 1.00 0.00 C ATOM 977 C CYS A 70 3.560 1.403 -8.888 1.00 0.00 C ATOM 978 O CYS A 70 4.020 2.542 -8.812 1.00 0.00 O ATOM 979 CB CYS A 70 4.382 -0.043 -10.757 1.00 0.00 C ATOM 980 SG CYS A 70 4.599 -1.635 -9.899 1.00 0.00 S ATOM 0 H CYS A 70 3.234 1.673 -12.142 1.00 0.00 H new ATOM 0 HA CYS A 70 2.341 0.142 -10.112 1.00 0.00 H new ATOM 0 HB2 CYS A 70 4.239 -0.232 -11.821 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.298 0.539 -10.657 1.00 0.00 H new ATOM 0 HG CYS A 70 5.115 -2.503 -10.718 1.00 0.00 H new ATOM 985 N ARG A 71 3.341 0.639 -7.823 1.00 0.00 N ATOM 986 CA ARG A 71 3.634 1.106 -6.474 1.00 0.00 C ATOM 987 C ARG A 71 4.838 0.370 -5.893 1.00 0.00 C ATOM 988 O ARG A 71 5.637 0.950 -5.157 1.00 0.00 O ATOM 989 CB ARG A 71 2.417 0.910 -5.568 1.00 0.00 C ATOM 990 CG ARG A 71 1.966 -0.537 -5.459 1.00 0.00 C ATOM 991 CD ARG A 71 1.158 -0.775 -4.192 1.00 0.00 C ATOM 992 NE ARG A 71 -0.159 -0.148 -4.257 1.00 0.00 N ATOM 993 CZ ARG A 71 -1.113 -0.346 -3.354 1.00 0.00 C ATOM 994 NH1 ARG A 71 -0.896 -1.149 -2.322 1.00 0.00 N ATOM 995 NH2 ARG A 71 -2.286 0.261 -3.482 1.00 0.00 N ATOM 0 H ARG A 71 2.961 -0.307 -7.869 1.00 0.00 H new ATOM 0 HA ARG A 71 3.871 2.169 -6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.652 1.284 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.591 1.512 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.365 -0.798 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.837 -1.192 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.042 -1.847 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.704 -0.382 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.357 0.476 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.005 -1.616 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.630 -1.300 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.456 0.880 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.018 0.108 -2.788 1.00 0.00 H new ATOM 1009 N ARG A 72 4.961 -0.910 -6.229 1.00 0.00 N ATOM 1010 CA ARG A 72 6.066 -1.726 -5.739 1.00 0.00 C ATOM 1011 C ARG A 72 7.405 -1.162 -6.204 1.00 0.00 C ATOM 1012 O ARG A 72 8.342 -1.030 -5.416 1.00 0.00 O ATOM 1013 CB ARG A 72 5.914 -3.170 -6.221 1.00 0.00 C ATOM 1014 CG ARG A 72 4.851 -3.954 -5.468 1.00 0.00 C ATOM 1015 CD ARG A 72 5.295 -4.273 -4.049 1.00 0.00 C ATOM 1016 NE ARG A 72 6.162 -5.447 -3.997 1.00 0.00 N ATOM 1017 CZ ARG A 72 6.515 -6.051 -2.868 1.00 0.00 C ATOM 1018 NH1 ARG A 72 6.077 -5.593 -1.703 1.00 0.00 N ATOM 1019 NH2 ARG A 72 7.307 -7.115 -2.902 1.00 0.00 N ATOM 0 H ARG A 72 4.309 -1.404 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 72 6.042 -1.709 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.667 -3.166 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.871 -3.681 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.925 -3.380 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.636 -4.881 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.822 -3.415 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.418 -4.442 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 72 6.516 -5.824 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.468 -4.775 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.349 -6.058 -0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.646 -7.470 -3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.577 -7.578 -2.034 1.00 0.00 H new ATOM 1033 N CYS A 73 7.488 -0.830 -7.488 1.00 0.00 N ATOM 1034 CA CYS A 73 8.712 -0.281 -8.059 1.00 0.00 C ATOM 1035 C CYS A 73 8.618 1.236 -8.190 1.00 0.00 C ATOM 1036 O CYS A 73 9.575 1.955 -7.905 1.00 0.00 O ATOM 1037 CB CYS A 73 8.986 -0.907 -9.428 1.00 0.00 C ATOM 1038 SG CYS A 73 7.687 -0.587 -10.665 1.00 0.00 S ATOM 0 H CYS A 73 6.721 -0.932 -8.153 1.00 0.00 H new ATOM 0 HA CYS A 73 9.536 -0.519 -7.387 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.935 -0.527 -9.806 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.100 -1.984 -9.307 1.00 0.00 H new ATOM 0 HG CYS A 73 6.626 -1.277 -10.368 1.00 0.00 H new ATOM 1043 N GLY A 74 7.457 1.717 -8.624 1.00 0.00 N ATOM 1044 CA GLY A 74 7.259 3.145 -8.785 1.00 0.00 C ATOM 1045 C GLY A 74 7.456 3.600 -10.218 1.00 0.00 C ATOM 1046 O GLY A 74 7.936 4.705 -10.465 1.00 0.00 O ATOM 0 H GLY A 74 6.650 1.143 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.253 3.408 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.954 3.680 -8.138 1.00 0.00 H new ATOM 1050 N GLY A 75 7.086 2.743 -11.165 1.00 0.00 N ATOM 1051 CA GLY A 75 7.235 3.080 -12.569 1.00 0.00 C ATOM 1052 C GLY A 75 8.665 2.940 -13.051 1.00 0.00 C ATOM 1053 O GLY A 75 9.131 3.730 -13.871 1.00 0.00 O ATOM 0 H GLY A 75 6.686 1.822 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.589 2.435 -13.165 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.899 4.104 -12.731 1.00 0.00 H new ATOM 1057 N ARG A 76 9.364 1.932 -12.539 1.00 0.00 N ATOM 1058 CA ARG A 76 10.751 1.692 -12.920 1.00 0.00 C ATOM 1059 C ARG A 76 10.908 0.318 -13.564 1.00 0.00 C ATOM 1060 O ARG A 76 11.672 0.149 -14.513 1.00 0.00 O ATOM 1061 CB ARG A 76 11.664 1.801 -11.698 1.00 0.00 C ATOM 1062 CG ARG A 76 13.021 1.145 -11.891 1.00 0.00 C ATOM 1063 CD ARG A 76 14.094 1.828 -11.057 1.00 0.00 C ATOM 1064 NE ARG A 76 14.214 3.248 -11.377 1.00 0.00 N ATOM 1065 CZ ARG A 76 13.585 4.208 -10.708 1.00 0.00 C ATOM 1066 NH1 ARG A 76 12.795 3.902 -9.689 1.00 0.00 N ATOM 1067 NH2 ARG A 76 13.745 5.478 -11.060 1.00 0.00 N ATOM 0 H ARG A 76 8.993 1.268 -11.859 1.00 0.00 H new ATOM 0 HA ARG A 76 11.038 2.451 -13.648 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.810 2.854 -11.457 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.167 1.344 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.960 0.092 -11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.298 1.183 -12.944 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.859 1.713 -9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.052 1.336 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 76 14.814 3.517 -12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.669 2.927 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.313 4.641 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.351 5.717 -11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.262 6.215 -10.546 1.00 0.00 H new ATOM 1081 N GLY A 77 10.178 -0.663 -13.041 1.00 0.00 N ATOM 1082 CA GLY A 77 10.251 -2.010 -13.577 1.00 0.00 C ATOM 1083 C GLY A 77 11.117 -2.923 -12.732 1.00 0.00 C ATOM 1084 O GLY A 77 11.471 -4.023 -13.158 1.00 0.00 O ATOM 0 H GLY A 77 9.537 -0.549 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.246 -2.426 -13.643 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.648 -1.973 -14.591 1.00 0.00 H new ATOM 1088 N SER A 78 11.460 -2.468 -11.531 1.00 0.00 N ATOM 1089 CA SER A 78 12.295 -3.250 -10.627 1.00 0.00 C ATOM 1090 C SER A 78 12.228 -2.693 -9.208 1.00 0.00 C ATOM 1091 O SER A 78 11.967 -1.506 -9.007 1.00 0.00 O ATOM 1092 CB SER A 78 13.745 -3.259 -11.116 1.00 0.00 C ATOM 1093 OG SER A 78 13.810 -3.483 -12.514 1.00 0.00 O ATOM 0 H SER A 78 11.172 -1.562 -11.162 1.00 0.00 H new ATOM 0 HA SER A 78 11.917 -4.272 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.220 -2.308 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.304 -4.036 -10.594 1.00 0.00 H new ATOM 0 HG SER A 78 13.133 -4.143 -12.771 1.00 0.00 H new ATOM 1099 N ILE A 79 12.467 -3.558 -8.228 1.00 0.00 N ATOM 1100 CA ILE A 79 12.435 -3.153 -6.828 1.00 0.00 C ATOM 1101 C ILE A 79 13.835 -2.826 -6.319 1.00 0.00 C ATOM 1102 O ILE A 79 14.738 -3.662 -6.376 1.00 0.00 O ATOM 1103 CB ILE A 79 11.820 -4.250 -5.939 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.408 -4.592 -6.417 1.00 0.00 C ATOM 1105 CG2 ILE A 79 11.799 -3.802 -4.485 1.00 0.00 C ATOM 1106 CD1 ILE A 79 10.370 -5.710 -7.436 1.00 0.00 C ATOM 0 H ILE A 79 12.685 -4.543 -8.378 1.00 0.00 H new ATOM 0 HA ILE A 79 11.813 -2.260 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 79 12.436 -5.146 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.800 -4.874 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.954 -3.701 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.362 -4.587 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.817 -3.603 -4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.203 -2.894 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.338 -5.899 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.950 -5.423 -8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.795 -6.614 -7.000 1.00 0.00 H new ATOM 1118 N ILE A 80 14.007 -1.607 -5.819 1.00 0.00 N ATOM 1119 CA ILE A 80 15.296 -1.172 -5.297 1.00 0.00 C ATOM 1120 C ILE A 80 15.416 -1.474 -3.807 1.00 0.00 C ATOM 1121 O ILE A 80 14.972 -0.691 -2.967 1.00 0.00 O ATOM 1122 CB ILE A 80 15.515 0.336 -5.522 1.00 0.00 C ATOM 1123 CG1 ILE A 80 15.613 0.641 -7.018 1.00 0.00 C ATOM 1124 CG2 ILE A 80 16.768 0.804 -4.798 1.00 0.00 C ATOM 1125 CD1 ILE A 80 15.487 2.113 -7.345 1.00 0.00 C ATOM 0 H ILE A 80 13.270 -0.904 -5.764 1.00 0.00 H new ATOM 0 HA ILE A 80 16.060 -1.727 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 80 14.661 0.877 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.568 0.274 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.832 0.092 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 80 16.909 1.872 -4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 80 16.662 0.617 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 80 17.633 0.260 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.566 2.254 -8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.520 2.481 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 80 16.284 2.666 -6.847 1.00 0.00 H new ATOM 1137 N ILE A 81 16.020 -2.613 -3.487 1.00 0.00 N ATOM 1138 CA ILE A 81 16.201 -3.017 -2.098 1.00 0.00 C ATOM 1139 C ILE A 81 16.615 -1.833 -1.230 1.00 0.00 C ATOM 1140 O ILE A 81 16.181 -1.708 -0.085 1.00 0.00 O ATOM 1141 CB ILE A 81 17.259 -4.129 -1.968 1.00 0.00 C ATOM 1142 CG1 ILE A 81 16.834 -5.363 -2.766 1.00 0.00 C ATOM 1143 CG2 ILE A 81 17.476 -4.486 -0.505 1.00 0.00 C ATOM 1144 CD1 ILE A 81 17.321 -5.355 -4.198 1.00 0.00 C ATOM 0 H ILE A 81 16.392 -3.272 -4.170 1.00 0.00 H new ATOM 0 HA ILE A 81 15.240 -3.399 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 81 18.201 -3.763 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 81 17.212 -6.256 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.746 -5.432 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 81 18.226 -5.273 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.819 -3.605 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 81 16.539 -4.836 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.982 -6.260 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.922 -4.481 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 81 18.410 -5.318 -4.212 1.00 0.00 H new ATOM 1156 N SER A 82 17.456 -0.966 -1.785 1.00 0.00 N ATOM 1157 CA SER A 82 17.931 0.208 -1.061 1.00 0.00 C ATOM 1158 C SER A 82 17.943 1.436 -1.966 1.00 0.00 C ATOM 1159 O SER A 82 18.805 1.592 -2.832 1.00 0.00 O ATOM 1160 CB SER A 82 19.333 -0.043 -0.503 1.00 0.00 C ATOM 1161 OG SER A 82 19.534 0.664 0.708 1.00 0.00 O ATOM 0 H SER A 82 17.822 -1.054 -2.733 1.00 0.00 H new ATOM 0 HA SER A 82 17.247 0.395 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.474 -1.110 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.080 0.264 -1.235 1.00 0.00 H new ATOM 0 HG SER A 82 20.437 0.486 1.045 1.00 0.00 H new ATOM 1167 N PRO A 83 16.964 2.330 -1.764 1.00 0.00 N ATOM 1168 CA PRO A 83 16.840 3.560 -2.551 1.00 0.00 C ATOM 1169 C PRO A 83 17.950 4.559 -2.243 1.00 0.00 C ATOM 1170 O PRO A 83 18.378 4.694 -1.096 1.00 0.00 O ATOM 1171 CB PRO A 83 15.482 4.120 -2.121 1.00 0.00 C ATOM 1172 CG PRO A 83 15.258 3.567 -0.757 1.00 0.00 C ATOM 1173 CD PRO A 83 15.903 2.208 -0.750 1.00 0.00 C ATOM 0 HA PRO A 83 16.918 3.369 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.489 5.210 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.692 3.813 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.699 4.212 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.193 3.495 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.310 1.961 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.191 1.424 -1.006 1.00 0.00 H new ATOM 1181 N CYS A 84 18.413 5.259 -3.274 1.00 0.00 N ATOM 1182 CA CYS A 84 19.473 6.247 -3.114 1.00 0.00 C ATOM 1183 C CYS A 84 19.329 6.990 -1.789 1.00 0.00 C ATOM 1184 O CYS A 84 18.235 7.083 -1.232 1.00 0.00 O ATOM 1185 CB CYS A 84 19.450 7.243 -4.275 1.00 0.00 C ATOM 1186 SG CYS A 84 20.960 8.252 -4.419 1.00 0.00 S ATOM 0 H CYS A 84 18.070 5.160 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 84 20.428 5.722 -3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.301 6.696 -5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 84 18.593 7.906 -4.154 1.00 0.00 H new ATOM 0 HG CYS A 84 21.176 8.534 -5.670 1.00 0.00 H new ATOM 1191 N VAL A 85 20.442 7.518 -1.289 1.00 0.00 N ATOM 1192 CA VAL A 85 20.440 8.255 -0.031 1.00 0.00 C ATOM 1193 C VAL A 85 20.532 9.757 -0.273 1.00 0.00 C ATOM 1194 O VAL A 85 20.446 10.554 0.661 1.00 0.00 O ATOM 1195 CB VAL A 85 21.608 7.820 0.875 1.00 0.00 C ATOM 1196 CG1 VAL A 85 21.451 6.363 1.285 1.00 0.00 C ATOM 1197 CG2 VAL A 85 22.939 8.045 0.174 1.00 0.00 C ATOM 0 H VAL A 85 21.356 7.449 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 85 19.498 8.028 0.467 1.00 0.00 H new ATOM 0 HB VAL A 85 21.592 8.431 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 85 22.285 6.073 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 85 20.515 6.237 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 85 21.440 5.734 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 85 23.752 7.732 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 85 22.969 7.461 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 85 23.051 9.103 -0.064 1.00 0.00 H new ATOM 1207 N VAL A 86 20.708 10.138 -1.534 1.00 0.00 N ATOM 1208 CA VAL A 86 20.809 11.545 -1.901 1.00 0.00 C ATOM 1209 C VAL A 86 19.510 12.047 -2.521 1.00 0.00 C ATOM 1210 O VAL A 86 18.947 13.050 -2.083 1.00 0.00 O ATOM 1211 CB VAL A 86 21.965 11.785 -2.890 1.00 0.00 C ATOM 1212 CG1 VAL A 86 21.601 12.881 -3.881 1.00 0.00 C ATOM 1213 CG2 VAL A 86 23.243 12.135 -2.142 1.00 0.00 C ATOM 0 H VAL A 86 20.784 9.491 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 86 21.006 12.098 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 86 22.139 10.865 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 86 22.430 13.037 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.713 12.586 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 86 21.399 13.807 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 86 24.049 12.301 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 86 23.085 13.040 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 86 23.512 11.314 -1.477 1.00 0.00 H new ATOM 1223 N CYS A 87 19.039 11.342 -3.545 1.00 0.00 N ATOM 1224 CA CYS A 87 17.806 11.715 -4.227 1.00 0.00 C ATOM 1225 C CYS A 87 16.635 10.870 -3.734 1.00 0.00 C ATOM 1226 O CYS A 87 15.497 11.057 -4.165 1.00 0.00 O ATOM 1227 CB CYS A 87 17.966 11.551 -5.740 1.00 0.00 C ATOM 1228 SG CYS A 87 18.183 9.825 -6.281 1.00 0.00 S ATOM 0 H CYS A 87 19.493 10.509 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 87 17.597 12.761 -4.001 1.00 0.00 H new ATOM 0 HB2 CYS A 87 17.089 11.968 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 87 18.826 12.135 -6.069 1.00 0.00 H new ATOM 0 HG CYS A 87 19.212 9.744 -7.072 1.00 0.00 H new ATOM 1233 N ARG A 88 16.922 9.941 -2.828 1.00 0.00 N ATOM 1234 CA ARG A 88 15.894 9.068 -2.276 1.00 0.00 C ATOM 1235 C ARG A 88 15.076 8.420 -3.390 1.00 0.00 C ATOM 1236 O ARG A 88 13.881 8.174 -3.233 1.00 0.00 O ATOM 1237 CB ARG A 88 14.972 9.855 -1.343 1.00 0.00 C ATOM 1238 CG ARG A 88 15.715 10.659 -0.289 1.00 0.00 C ATOM 1239 CD ARG A 88 16.897 9.885 0.271 1.00 0.00 C ATOM 1240 NE ARG A 88 17.180 10.246 1.658 1.00 0.00 N ATOM 1241 CZ ARG A 88 16.457 9.824 2.689 1.00 0.00 C ATOM 1242 NH1 ARG A 88 15.414 9.031 2.491 1.00 0.00 N ATOM 1243 NH2 ARG A 88 16.777 10.196 3.922 1.00 0.00 N ATOM 0 H ARG A 88 17.859 9.774 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 88 16.389 8.281 -1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.358 10.531 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 88 14.293 9.161 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.065 11.595 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.032 10.919 0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.693 8.816 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.779 10.077 -0.341 1.00 0.00 H new ATOM 0 HE ARG A 88 17.976 10.855 1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.165 8.743 1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.861 8.708 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.579 10.807 4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.221 9.871 4.713 1.00 0.00 H new ATOM 1257 N GLY A 89 15.729 8.148 -4.516 1.00 0.00 N ATOM 1258 CA GLY A 89 15.047 7.533 -5.639 1.00 0.00 C ATOM 1259 C GLY A 89 14.240 8.531 -6.445 1.00 0.00 C ATOM 1260 O GLY A 89 13.167 8.207 -6.952 1.00 0.00 O ATOM 0 H GLY A 89 16.718 8.343 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.781 7.055 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.386 6.747 -5.273 1.00 0.00 H new ATOM 1264 N ALA A 90 14.756 9.751 -6.561 1.00 0.00 N ATOM 1265 CA ALA A 90 14.076 10.800 -7.311 1.00 0.00 C ATOM 1266 C ALA A 90 14.619 10.899 -8.732 1.00 0.00 C ATOM 1267 O ALA A 90 13.879 11.187 -9.672 1.00 0.00 O ATOM 1268 CB ALA A 90 14.217 12.135 -6.596 1.00 0.00 C ATOM 0 H ALA A 90 15.642 10.037 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 90 13.019 10.542 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.705 12.909 -7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.775 12.064 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.273 12.390 -6.506 1.00 0.00 H new ATOM 1274 N GLY A 91 15.918 10.658 -8.883 1.00 0.00 N ATOM 1275 CA GLY A 91 16.538 10.725 -10.194 1.00 0.00 C ATOM 1276 C GLY A 91 17.281 12.028 -10.417 1.00 0.00 C ATOM 1277 O GLY A 91 18.025 12.166 -11.387 1.00 0.00 O ATOM 0 H GLY A 91 16.552 10.418 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.231 9.891 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.772 10.611 -10.961 1.00 0.00 H new ATOM 1281 N GLN A 92 17.076 12.986 -9.518 1.00 0.00 N ATOM 1282 CA GLN A 92 17.731 14.284 -9.624 1.00 0.00 C ATOM 1283 C GLN A 92 17.949 14.898 -8.245 1.00 0.00 C ATOM 1284 O GLN A 92 17.219 14.601 -7.300 1.00 0.00 O ATOM 1285 CB GLN A 92 16.897 15.230 -10.490 1.00 0.00 C ATOM 1286 CG GLN A 92 17.141 15.065 -11.981 1.00 0.00 C ATOM 1287 CD GLN A 92 16.119 15.801 -12.825 1.00 0.00 C ATOM 1288 OE1 GLN A 92 16.343 16.937 -13.242 1.00 0.00 O ATOM 1289 NE2 GLN A 92 14.987 15.155 -13.082 1.00 0.00 N ATOM 0 H GLN A 92 16.462 12.887 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 92 18.704 14.135 -10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.840 15.062 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.118 16.259 -10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.139 15.431 -12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.119 14.005 -12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.843 14.214 -12.716 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.262 15.600 -13.645 1.00 0.00 H new ATOM 1298 N ALA A 93 18.960 15.754 -8.137 1.00 0.00 N ATOM 1299 CA ALA A 93 19.274 16.410 -6.874 1.00 0.00 C ATOM 1300 C ALA A 93 19.843 17.805 -7.107 1.00 0.00 C ATOM 1301 O ALA A 93 19.932 18.270 -8.244 1.00 0.00 O ATOM 1302 CB ALA A 93 20.251 15.566 -6.069 1.00 0.00 C ATOM 0 H ALA A 93 19.576 16.009 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 93 18.349 16.514 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.476 16.068 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.807 14.592 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.171 15.432 -6.638 1.00 0.00 H new ATOM 1308 N LYS A 94 20.228 18.471 -6.023 1.00 0.00 N ATOM 1309 CA LYS A 94 20.790 19.814 -6.108 1.00 0.00 C ATOM 1310 C LYS A 94 22.286 19.760 -6.398 1.00 0.00 C ATOM 1311 O LYS A 94 23.071 19.297 -5.570 1.00 0.00 O ATOM 1312 CB LYS A 94 20.539 20.577 -4.806 1.00 0.00 C ATOM 1313 CG LYS A 94 20.859 19.773 -3.558 1.00 0.00 C ATOM 1314 CD LYS A 94 19.628 19.064 -3.020 1.00 0.00 C ATOM 1315 CE LYS A 94 18.844 19.954 -2.067 1.00 0.00 C ATOM 1316 NZ LYS A 94 19.616 20.260 -0.831 1.00 0.00 N ATOM 0 H LYS A 94 20.161 18.102 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 94 20.298 20.336 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.140 21.486 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.494 20.885 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.632 19.039 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.263 20.435 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.988 18.764 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.928 18.152 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.583 20.884 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.909 19.463 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.958 20.482 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.193 19.435 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 20.237 21.077 -1.003 1.00 0.00 H new