USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=22 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= 1.11 USER MOD Set 1.2: A 34 CYS SG : rot -66:sc= 1.63 USER MOD Set 1.3: A 84 CYS SG : rot 162:sc= -0.422 USER MOD Set 1.4: A 87 CYS SG : rot -127:sc= 1.46 USER MOD Set 2.1: A 48 CYS SG : rot -157:sc= -1.72 USER MOD Set 2.2: A 51 CYS SG : rot -124:sc= 0.996 USER MOD Set 2.3: A 70 CYS SG : rot 127:sc= -1.06 USER MOD Set 2.4: A 73 CYS SG : rot -55:sc= 1.53 USER MOD Single : A 28 MET CE :methyl 167:sc= -3.48! (180deg=-4.87!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= -0.179 (180deg=-0.918) USER MOD Single : A 39 ASN : amide:sc= -1.45 K(o=-1.4,f=-3.9!) USER MOD Single : A 43 THR OG1 : rot 178:sc= -0.938 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.11) 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=-0.035) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.334 USER MOD Single : A 56 MET CE :methyl -122:sc= -2.3 (180deg=-2.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 61 THR OG1 : rot -89:sc= 0.00279 USER MOD Single : A 66 MET CE :methyl -147:sc= -0.151 (180deg=-0.754) 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 180:sc= -0.189 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00865 X(o=-0.0087,f=-0.19) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 381 N MET A 28 19.383 22.541 -10.333 1.00 0.00 N ATOM 382 CA MET A 28 18.818 21.196 -10.352 1.00 0.00 C ATOM 383 C MET A 28 19.368 20.392 -11.526 1.00 0.00 C ATOM 384 O MET A 28 19.057 20.674 -12.683 1.00 0.00 O ATOM 385 CB MET A 28 17.292 21.262 -10.434 1.00 0.00 C ATOM 386 CG MET A 28 16.622 21.524 -9.095 1.00 0.00 C ATOM 387 SD MET A 28 16.188 20.005 -8.226 1.00 0.00 S ATOM 388 CE MET A 28 17.811 19.306 -7.933 1.00 0.00 C ATOM 0 HA MET A 28 19.103 20.696 -9.427 1.00 0.00 H new ATOM 0 HB2 MET A 28 17.008 22.048 -11.133 1.00 0.00 H new ATOM 0 HB3 MET A 28 16.917 20.323 -10.841 1.00 0.00 H new ATOM 0 HG2 MET A 28 17.289 22.118 -8.470 1.00 0.00 H new ATOM 0 HG3 MET A 28 15.721 22.117 -9.254 1.00 0.00 H new ATOM 0 HE1 MET A 28 17.732 18.492 -7.212 1.00 0.00 H new ATOM 0 HE2 MET A 28 18.217 18.923 -8.869 1.00 0.00 H new ATOM 0 HE3 MET A 28 18.473 20.077 -7.539 1.00 0.00 H new ATOM 398 N ASP A 29 20.187 19.392 -11.220 1.00 0.00 N ATOM 399 CA ASP A 29 20.779 18.546 -12.251 1.00 0.00 C ATOM 400 C ASP A 29 20.631 17.071 -11.894 1.00 0.00 C ATOM 401 O ASP A 29 19.983 16.720 -10.907 1.00 0.00 O ATOM 402 CB ASP A 29 22.257 18.893 -12.437 1.00 0.00 C ATOM 403 CG ASP A 29 22.473 19.957 -13.495 1.00 0.00 C ATOM 404 OD1 ASP A 29 22.384 21.156 -13.158 1.00 0.00 O ATOM 405 OD2 ASP A 29 22.733 19.591 -14.660 1.00 0.00 O ATOM 0 H ASP A 29 20.456 19.147 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 29 20.250 18.729 -13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 29 22.668 19.239 -11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.807 17.993 -12.713 1.00 0.00 H new ATOM 410 N THR A 30 21.235 16.208 -12.705 1.00 0.00 N ATOM 411 CA THR A 30 21.169 14.770 -12.478 1.00 0.00 C ATOM 412 C THR A 30 22.031 14.361 -11.289 1.00 0.00 C ATOM 413 O THR A 30 23.129 14.883 -11.097 1.00 0.00 O ATOM 414 CB THR A 30 21.622 13.982 -13.721 1.00 0.00 C ATOM 415 OG1 THR A 30 20.869 14.398 -14.866 1.00 0.00 O ATOM 416 CG2 THR A 30 21.447 12.486 -13.509 1.00 0.00 C ATOM 0 H THR A 30 21.776 16.481 -13.526 1.00 0.00 H new ATOM 0 HA THR A 30 20.126 14.532 -12.267 1.00 0.00 H new ATOM 0 HB THR A 30 22.680 14.187 -13.887 1.00 0.00 H new ATOM 0 HG1 THR A 30 21.164 13.894 -15.653 1.00 0.00 H new ATOM 0 HG21 THR A 30 21.774 11.951 -14.401 1.00 0.00 H new ATOM 0 HG22 THR A 30 22.045 12.167 -12.655 1.00 0.00 H new ATOM 0 HG23 THR A 30 20.397 12.266 -13.319 1.00 0.00 H new ATOM 424 N CYS A 31 21.527 13.423 -10.493 1.00 0.00 N ATOM 425 CA CYS A 31 22.251 12.944 -9.322 1.00 0.00 C ATOM 426 C CYS A 31 23.661 12.499 -9.699 1.00 0.00 C ATOM 427 O CYS A 31 23.901 12.047 -10.818 1.00 0.00 O ATOM 428 CB CYS A 31 21.496 11.784 -8.670 1.00 0.00 C ATOM 429 SG CYS A 31 22.217 11.220 -7.095 1.00 0.00 S ATOM 0 H CYS A 31 20.620 12.980 -10.638 1.00 0.00 H new ATOM 0 HA CYS A 31 22.326 13.766 -8.610 1.00 0.00 H new ATOM 0 HB2 CYS A 31 20.464 12.088 -8.497 1.00 0.00 H new ATOM 0 HB3 CYS A 31 21.469 10.945 -9.366 1.00 0.00 H new ATOM 0 HG CYS A 31 21.264 10.951 -6.253 1.00 0.00 H new ATOM 434 N GLU A 32 24.590 12.631 -8.757 1.00 0.00 N ATOM 435 CA GLU A 32 25.976 12.244 -8.991 1.00 0.00 C ATOM 436 C GLU A 32 26.303 10.937 -8.275 1.00 0.00 C ATOM 437 O GLU A 32 27.223 10.216 -8.665 1.00 0.00 O ATOM 438 CB GLU A 32 26.924 13.348 -8.519 1.00 0.00 C ATOM 439 CG GLU A 32 26.773 13.692 -7.047 1.00 0.00 C ATOM 440 CD GLU A 32 27.427 15.012 -6.686 1.00 0.00 C ATOM 441 OE1 GLU A 32 27.662 15.828 -7.601 1.00 0.00 O ATOM 442 OE2 GLU A 32 27.704 15.228 -5.488 1.00 0.00 O ATOM 0 H GLU A 32 24.408 13.003 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 32 26.109 12.095 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 32 27.952 13.038 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 32 26.748 14.245 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.713 13.735 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 32 27.212 12.897 -6.445 1.00 0.00 H new ATOM 449 N ARG A 33 25.545 10.638 -7.225 1.00 0.00 N ATOM 450 CA ARG A 33 25.756 9.419 -6.453 1.00 0.00 C ATOM 451 C ARG A 33 25.232 8.200 -7.208 1.00 0.00 C ATOM 452 O ARG A 33 25.942 7.208 -7.375 1.00 0.00 O ATOM 453 CB ARG A 33 25.064 9.526 -5.093 1.00 0.00 C ATOM 454 CG ARG A 33 25.766 8.750 -3.990 1.00 0.00 C ATOM 455 CD ARG A 33 24.770 8.151 -3.009 1.00 0.00 C ATOM 456 NE ARG A 33 25.408 7.748 -1.759 1.00 0.00 N ATOM 457 CZ ARG A 33 26.268 6.741 -1.665 1.00 0.00 C ATOM 458 NH1 ARG A 33 26.593 6.039 -2.741 1.00 0.00 N ATOM 459 NH2 ARG A 33 26.807 6.435 -0.491 1.00 0.00 N ATOM 0 H ARG A 33 24.780 11.223 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 33 26.828 9.297 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.005 10.576 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.040 9.163 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.368 7.955 -4.430 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.450 9.411 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.987 8.879 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.287 7.286 -3.465 1.00 0.00 H new ATOM 0 HE ARG A 33 25.181 8.269 -0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 33 26.182 6.272 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 33 27.254 5.266 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 33 26.560 6.974 0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 33 27.468 5.661 -0.419 1.00 0.00 H new ATOM 473 N CYS A 34 23.985 8.282 -7.660 1.00 0.00 N ATOM 474 CA CYS A 34 23.365 7.186 -8.396 1.00 0.00 C ATOM 475 C CYS A 34 23.471 7.414 -9.901 1.00 0.00 C ATOM 476 O CYS A 34 23.202 6.513 -10.696 1.00 0.00 O ATOM 477 CB CYS A 34 21.897 7.041 -7.993 1.00 0.00 C ATOM 478 SG CYS A 34 20.871 8.495 -8.381 1.00 0.00 S ATOM 0 H CYS A 34 23.384 9.096 -7.530 1.00 0.00 H new ATOM 0 HA CYS A 34 23.896 6.267 -8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 34 21.478 6.170 -8.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 21.843 6.847 -6.922 1.00 0.00 H new ATOM 0 HG CYS A 34 21.264 9.507 -7.666 1.00 0.00 H new ATOM 483 N ASN A 35 23.864 8.624 -10.285 1.00 0.00 N ATOM 484 CA ASN A 35 24.005 8.970 -11.695 1.00 0.00 C ATOM 485 C ASN A 35 22.661 8.890 -12.412 1.00 0.00 C ATOM 486 O ASN A 35 22.572 8.388 -13.532 1.00 0.00 O ATOM 487 CB ASN A 35 25.013 8.039 -12.372 1.00 0.00 C ATOM 488 CG ASN A 35 26.441 8.330 -11.952 1.00 0.00 C ATOM 489 OD1 ASN A 35 27.098 7.496 -11.327 1.00 0.00 O ATOM 490 ND2 ASN A 35 26.928 9.517 -12.293 1.00 0.00 N ATOM 0 H ASN A 35 24.090 9.381 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 35 24.369 9.995 -11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 35 24.769 7.005 -12.128 1.00 0.00 H new ATOM 0 HB3 ASN A 35 24.927 8.140 -13.454 1.00 0.00 H new ATOM 0 HD21 ASN A 35 27.883 9.769 -12.037 1.00 0.00 H new ATOM 0 HD22 ASN A 35 26.348 10.177 -12.811 1.00 0.00 H new ATOM 497 N GLY A 36 21.617 9.389 -11.758 1.00 0.00 N ATOM 498 CA GLY A 36 20.291 9.364 -12.348 1.00 0.00 C ATOM 499 C GLY A 36 19.696 7.971 -12.379 1.00 0.00 C ATOM 500 O GLY A 36 18.764 7.702 -13.137 1.00 0.00 O ATOM 0 H GLY A 36 21.665 9.810 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.633 10.024 -11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.341 9.757 -13.364 1.00 0.00 H new ATOM 504 N LYS A 37 20.235 7.081 -11.553 1.00 0.00 N ATOM 505 CA LYS A 37 19.752 5.706 -11.488 1.00 0.00 C ATOM 506 C LYS A 37 18.583 5.586 -10.516 1.00 0.00 C ATOM 507 O LYS A 37 17.516 5.087 -10.872 1.00 0.00 O ATOM 508 CB LYS A 37 20.883 4.767 -11.061 1.00 0.00 C ATOM 509 CG LYS A 37 21.850 4.431 -12.183 1.00 0.00 C ATOM 510 CD LYS A 37 21.191 3.573 -13.250 1.00 0.00 C ATOM 511 CE LYS A 37 20.732 2.237 -12.686 1.00 0.00 C ATOM 512 NZ LYS A 37 19.289 2.256 -12.320 1.00 0.00 N ATOM 0 H LYS A 37 21.007 7.287 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 37 19.406 5.421 -12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 37 21.436 5.227 -10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.451 3.843 -10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 37 22.220 5.352 -12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 37 22.714 3.906 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 37 20.337 4.105 -13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 37 21.893 3.403 -14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.910 1.452 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.327 1.991 -11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.157 1.784 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.961 3.241 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.739 1.757 -13.048 1.00 0.00 H new ATOM 526 N GLY A 38 18.791 6.047 -9.286 1.00 0.00 N ATOM 527 CA GLY A 38 17.745 5.983 -8.283 1.00 0.00 C ATOM 528 C GLY A 38 18.040 4.962 -7.201 1.00 0.00 C ATOM 529 O GLY A 38 17.161 4.605 -6.419 1.00 0.00 O ATOM 0 H GLY A 38 19.666 6.464 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.622 6.966 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.799 5.735 -8.764 1.00 0.00 H new ATOM 533 N ASN A 39 19.282 4.490 -7.159 1.00 0.00 N ATOM 534 CA ASN A 39 19.691 3.502 -6.167 1.00 0.00 C ATOM 535 C ASN A 39 21.148 3.706 -5.765 1.00 0.00 C ATOM 536 O ASN A 39 21.870 4.486 -6.385 1.00 0.00 O ATOM 537 CB ASN A 39 19.494 2.087 -6.715 1.00 0.00 C ATOM 538 CG ASN A 39 20.341 1.820 -7.944 1.00 0.00 C ATOM 539 OD1 ASN A 39 20.249 2.536 -8.942 1.00 0.00 O ATOM 540 ND2 ASN A 39 21.171 0.786 -7.877 1.00 0.00 N ATOM 0 H ASN A 39 20.022 4.776 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 39 19.067 3.632 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 39 19.744 1.362 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.443 1.939 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.766 0.557 -8.673 1.00 0.00 H new ATOM 0 HD22 ASN A 39 21.214 0.220 -7.029 1.00 0.00 H new ATOM 547 N GLU A 40 21.574 2.998 -4.723 1.00 0.00 N ATOM 548 CA GLU A 40 22.945 3.102 -4.238 1.00 0.00 C ATOM 549 C GLU A 40 23.925 2.513 -5.249 1.00 0.00 C ATOM 550 O GLU A 40 23.670 1.481 -5.870 1.00 0.00 O ATOM 551 CB GLU A 40 23.090 2.386 -2.894 1.00 0.00 C ATOM 552 CG GLU A 40 22.524 3.171 -1.722 1.00 0.00 C ATOM 553 CD GLU A 40 23.430 4.308 -1.290 1.00 0.00 C ATOM 554 OE1 GLU A 40 24.625 4.050 -1.037 1.00 0.00 O ATOM 555 OE2 GLU A 40 22.943 5.455 -1.205 1.00 0.00 O ATOM 0 H GLU A 40 20.989 2.347 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 40 23.177 4.159 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 40 22.588 1.420 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 40 24.146 2.186 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.548 3.573 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 40 22.366 2.497 -0.880 1.00 0.00 H new ATOM 562 N PRO A 41 25.074 3.184 -5.419 1.00 0.00 N ATOM 563 CA PRO A 41 26.116 2.746 -6.352 1.00 0.00 C ATOM 564 C PRO A 41 26.814 1.474 -5.886 1.00 0.00 C ATOM 565 O PRO A 41 27.876 1.115 -6.395 1.00 0.00 O ATOM 566 CB PRO A 41 27.097 3.921 -6.365 1.00 0.00 C ATOM 567 CG PRO A 41 26.899 4.594 -5.050 1.00 0.00 C ATOM 568 CD PRO A 41 25.444 4.422 -4.712 1.00 0.00 C ATOM 0 HA PRO A 41 25.708 2.503 -7.333 1.00 0.00 H new ATOM 0 HB2 PRO A 41 28.125 3.578 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.891 4.600 -7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 41 27.533 4.148 -4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 41 27.164 5.650 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 41 25.289 4.332 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 41 24.850 5.271 -5.050 1.00 0.00 H new ATOM 576 N GLY A 42 26.211 0.794 -4.915 1.00 0.00 N ATOM 577 CA GLY A 42 26.790 -0.431 -4.397 1.00 0.00 C ATOM 578 C GLY A 42 25.762 -1.320 -3.727 1.00 0.00 C ATOM 579 O GLY A 42 26.024 -1.902 -2.674 1.00 0.00 O ATOM 0 H GLY A 42 25.332 1.070 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.263 -0.979 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.574 -0.184 -3.681 1.00 0.00 H new ATOM 583 N THR A 43 24.585 -1.425 -4.336 1.00 0.00 N ATOM 584 CA THR A 43 23.512 -2.247 -3.790 1.00 0.00 C ATOM 585 C THR A 43 22.893 -3.130 -4.868 1.00 0.00 C ATOM 586 O THR A 43 23.356 -3.153 -6.008 1.00 0.00 O ATOM 587 CB THR A 43 22.408 -1.380 -3.156 1.00 0.00 C ATOM 588 OG1 THR A 43 21.963 -0.392 -4.092 1.00 0.00 O ATOM 589 CG2 THR A 43 22.913 -0.699 -1.893 1.00 0.00 C ATOM 0 H THR A 43 24.351 -0.951 -5.208 1.00 0.00 H new ATOM 0 HA THR A 43 23.957 -2.877 -3.020 1.00 0.00 H new ATOM 0 HB THR A 43 21.574 -2.030 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 43 21.238 0.133 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.116 -0.092 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.223 -1.455 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 43 23.762 -0.061 -2.138 1.00 0.00 H new ATOM 597 N LYS A 44 21.843 -3.856 -4.500 1.00 0.00 N ATOM 598 CA LYS A 44 21.158 -4.740 -5.436 1.00 0.00 C ATOM 599 C LYS A 44 19.711 -4.301 -5.639 1.00 0.00 C ATOM 600 O LYS A 44 19.136 -3.612 -4.797 1.00 0.00 O ATOM 601 CB LYS A 44 21.197 -6.183 -4.927 1.00 0.00 C ATOM 602 CG LYS A 44 22.598 -6.763 -4.850 1.00 0.00 C ATOM 603 CD LYS A 44 22.725 -7.767 -3.717 1.00 0.00 C ATOM 604 CE LYS A 44 23.740 -8.851 -4.043 1.00 0.00 C ATOM 605 NZ LYS A 44 25.121 -8.453 -3.653 1.00 0.00 N ATOM 0 H LYS A 44 21.448 -3.850 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 44 21.674 -4.684 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.742 -6.223 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.590 -6.807 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.845 -7.247 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.319 -5.958 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.023 -7.251 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 21.754 -8.223 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 44 23.468 -9.771 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.712 -9.065 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 25.783 -9.218 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 25.391 -7.589 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 25.154 -8.273 -2.629 1.00 0.00 H new ATOM 619 N VAL A 45 19.127 -4.705 -6.763 1.00 0.00 N ATOM 620 CA VAL A 45 17.747 -4.355 -7.076 1.00 0.00 C ATOM 621 C VAL A 45 17.056 -5.478 -7.841 1.00 0.00 C ATOM 622 O VAL A 45 17.692 -6.206 -8.602 1.00 0.00 O ATOM 623 CB VAL A 45 17.671 -3.060 -7.907 1.00 0.00 C ATOM 624 CG1 VAL A 45 18.824 -2.991 -8.896 1.00 0.00 C ATOM 625 CG2 VAL A 45 16.334 -2.967 -8.626 1.00 0.00 C ATOM 0 H VAL A 45 19.589 -5.275 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 45 17.236 -4.198 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 45 17.754 -2.209 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.753 -2.069 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 45 19.770 -3.008 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 45 18.777 -3.846 -9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.297 -2.046 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.219 -3.822 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.526 -2.966 -7.894 1.00 0.00 H new ATOM 635 N GLN A 46 15.749 -5.611 -7.634 1.00 0.00 N ATOM 636 CA GLN A 46 14.971 -6.646 -8.305 1.00 0.00 C ATOM 637 C GLN A 46 14.060 -6.039 -9.367 1.00 0.00 C ATOM 638 O GLN A 46 13.833 -4.829 -9.387 1.00 0.00 O ATOM 639 CB GLN A 46 14.139 -7.427 -7.287 1.00 0.00 C ATOM 640 CG GLN A 46 14.900 -7.778 -6.019 1.00 0.00 C ATOM 641 CD GLN A 46 14.016 -8.414 -4.964 1.00 0.00 C ATOM 642 OE1 GLN A 46 14.035 -8.016 -3.799 1.00 0.00 O ATOM 643 NE2 GLN A 46 13.235 -9.409 -5.368 1.00 0.00 N ATOM 0 H GLN A 46 15.207 -5.015 -7.008 1.00 0.00 H new ATOM 0 HA GLN A 46 15.665 -7.328 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.260 -6.840 -7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.781 -8.346 -7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 46 15.713 -8.460 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.354 -6.875 -5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.251 -9.706 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.619 -9.876 -4.703 1.00 0.00 H new ATOM 652 N HIS A 47 13.540 -6.888 -10.248 1.00 0.00 N ATOM 653 CA HIS A 47 12.653 -6.435 -11.313 1.00 0.00 C ATOM 654 C HIS A 47 11.194 -6.507 -10.872 1.00 0.00 C ATOM 655 O HIS A 47 10.745 -7.521 -10.337 1.00 0.00 O ATOM 656 CB HIS A 47 12.859 -7.280 -12.571 1.00 0.00 C ATOM 657 CG HIS A 47 12.203 -6.709 -13.790 1.00 0.00 C ATOM 658 ND1 HIS A 47 12.705 -5.624 -14.477 1.00 0.00 N ATOM 659 CD2 HIS A 47 11.079 -7.081 -14.447 1.00 0.00 C ATOM 660 CE1 HIS A 47 11.918 -5.351 -15.502 1.00 0.00 C ATOM 661 NE2 HIS A 47 10.924 -6.221 -15.506 1.00 0.00 N ATOM 0 H HIS A 47 13.718 -7.892 -10.245 1.00 0.00 H new ATOM 0 HA HIS A 47 12.896 -5.396 -11.538 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.928 -7.383 -12.758 1.00 0.00 H new ATOM 0 HB3 HIS A 47 12.468 -8.282 -12.394 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.426 -7.901 -14.187 1.00 0.00 H new ATOM 0 HE1 HIS A 47 12.062 -4.553 -16.215 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.164 -6.249 -16.186 1.00 0.00 H new ATOM 669 N CYS A 48 10.459 -5.423 -11.100 1.00 0.00 N ATOM 670 CA CYS A 48 9.051 -5.361 -10.725 1.00 0.00 C ATOM 671 C CYS A 48 8.176 -6.017 -11.789 1.00 0.00 C ATOM 672 O CYS A 48 8.223 -5.646 -12.963 1.00 0.00 O ATOM 673 CB CYS A 48 8.620 -3.908 -10.519 1.00 0.00 C ATOM 674 SG CYS A 48 6.958 -3.721 -9.797 1.00 0.00 S ATOM 0 H CYS A 48 10.815 -4.576 -11.543 1.00 0.00 H new ATOM 0 HA CYS A 48 8.925 -5.906 -9.789 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.344 -3.414 -9.871 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.648 -3.392 -11.479 1.00 0.00 H new ATOM 0 HG CYS A 48 6.485 -2.547 -10.094 1.00 0.00 H new ATOM 679 N HIS A 49 7.377 -6.994 -11.371 1.00 0.00 N ATOM 680 CA HIS A 49 6.490 -7.702 -12.287 1.00 0.00 C ATOM 681 C HIS A 49 5.201 -6.917 -12.510 1.00 0.00 C ATOM 682 O HIS A 49 4.676 -6.870 -13.623 1.00 0.00 O ATOM 683 CB HIS A 49 6.166 -9.094 -11.744 1.00 0.00 C ATOM 684 CG HIS A 49 7.240 -10.104 -12.006 1.00 0.00 C ATOM 685 ND1 HIS A 49 8.534 -9.961 -11.552 1.00 0.00 N ATOM 686 CD2 HIS A 49 7.206 -11.278 -12.678 1.00 0.00 C ATOM 687 CE1 HIS A 49 9.250 -11.003 -11.935 1.00 0.00 C ATOM 688 NE2 HIS A 49 8.468 -11.818 -12.620 1.00 0.00 N ATOM 0 H HIS A 49 7.326 -7.313 -10.404 1.00 0.00 H new ATOM 0 HA HIS A 49 7.003 -7.804 -13.243 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.997 -9.026 -10.669 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.235 -9.442 -12.191 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.347 -11.710 -13.169 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.297 -11.162 -11.724 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.754 -12.703 -13.038 1.00 0.00 H new ATOM 696 N TYR A 50 4.697 -6.303 -11.446 1.00 0.00 N ATOM 697 CA TYR A 50 3.467 -5.523 -11.524 1.00 0.00 C ATOM 698 C TYR A 50 3.367 -4.797 -12.863 1.00 0.00 C ATOM 699 O TYR A 50 2.444 -5.033 -13.643 1.00 0.00 O ATOM 700 CB TYR A 50 3.406 -4.512 -10.378 1.00 0.00 C ATOM 701 CG TYR A 50 2.711 -5.039 -9.143 1.00 0.00 C ATOM 702 CD1 TYR A 50 3.156 -6.194 -8.512 1.00 0.00 C ATOM 703 CD2 TYR A 50 1.610 -4.382 -8.607 1.00 0.00 C ATOM 704 CE1 TYR A 50 2.524 -6.680 -7.383 1.00 0.00 C ATOM 705 CE2 TYR A 50 0.974 -4.859 -7.478 1.00 0.00 C ATOM 706 CZ TYR A 50 1.434 -6.009 -6.870 1.00 0.00 C ATOM 707 OH TYR A 50 0.801 -6.488 -5.746 1.00 0.00 O ATOM 0 H TYR A 50 5.121 -6.330 -10.519 1.00 0.00 H new ATOM 0 HA TYR A 50 2.625 -6.210 -11.439 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.420 -4.213 -10.114 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.889 -3.616 -10.722 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.010 -6.721 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.246 -3.483 -9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.882 -7.580 -6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.121 -4.335 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 50 0.053 -5.898 -5.515 1.00 0.00 H new ATOM 717 N CYS A 51 4.325 -3.914 -13.123 1.00 0.00 N ATOM 718 CA CYS A 51 4.347 -3.153 -14.366 1.00 0.00 C ATOM 719 C CYS A 51 5.242 -3.828 -15.401 1.00 0.00 C ATOM 720 O CYS A 51 4.922 -3.857 -16.589 1.00 0.00 O ATOM 721 CB CYS A 51 4.836 -1.726 -14.106 1.00 0.00 C ATOM 722 SG CYS A 51 6.391 -1.634 -13.162 1.00 0.00 S ATOM 0 H CYS A 51 5.097 -3.708 -12.489 1.00 0.00 H new ATOM 0 HA CYS A 51 3.331 -3.116 -14.759 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.973 -1.220 -15.062 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.062 -1.181 -13.565 1.00 0.00 H new ATOM 0 HG CYS A 51 6.212 -0.904 -12.101 1.00 0.00 H new ATOM 727 N GLY A 52 6.364 -4.372 -14.941 1.00 0.00 N ATOM 728 CA GLY A 52 7.287 -5.041 -15.839 1.00 0.00 C ATOM 729 C GLY A 52 8.308 -4.091 -16.434 1.00 0.00 C ATOM 730 O GLY A 52 8.947 -4.404 -17.438 1.00 0.00 O ATOM 0 H GLY A 52 6.651 -4.361 -13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.804 -5.834 -15.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.726 -5.517 -16.643 1.00 0.00 H new ATOM 734 N GLY A 53 8.460 -2.924 -15.814 1.00 0.00 N ATOM 735 CA GLY A 53 9.410 -1.942 -16.304 1.00 0.00 C ATOM 736 C GLY A 53 8.737 -0.800 -17.038 1.00 0.00 C ATOM 737 O GLY A 53 9.345 -0.161 -17.897 1.00 0.00 O ATOM 0 H GLY A 53 7.942 -2.642 -14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.982 -1.544 -15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.121 -2.430 -16.971 1.00 0.00 H new ATOM 741 N SER A 54 7.476 -0.544 -16.702 1.00 0.00 N ATOM 742 CA SER A 54 6.718 0.525 -17.340 1.00 0.00 C ATOM 743 C SER A 54 6.220 1.530 -16.306 1.00 0.00 C ATOM 744 O SER A 54 5.832 2.647 -16.645 1.00 0.00 O ATOM 745 CB SER A 54 5.534 -0.054 -18.117 1.00 0.00 C ATOM 746 OG SER A 54 4.480 -0.420 -17.242 1.00 0.00 O ATOM 0 H SER A 54 6.959 -1.062 -15.992 1.00 0.00 H new ATOM 0 HA SER A 54 7.381 1.042 -18.034 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.174 0.680 -18.838 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.859 -0.926 -18.685 1.00 0.00 H new ATOM 0 HG SER A 54 3.735 -0.786 -17.763 1.00 0.00 H new ATOM 752 N GLY A 55 6.234 1.123 -15.040 1.00 0.00 N ATOM 753 CA GLY A 55 5.781 1.998 -13.974 1.00 0.00 C ATOM 754 C GLY A 55 4.278 2.190 -13.981 1.00 0.00 C ATOM 755 O GLY A 55 3.777 3.230 -13.554 1.00 0.00 O ATOM 0 H GLY A 55 6.551 0.203 -14.734 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.087 1.584 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.269 2.968 -14.072 1.00 0.00 H new ATOM 759 N MET A 56 3.557 1.185 -14.467 1.00 0.00 N ATOM 760 CA MET A 56 2.101 1.249 -14.528 1.00 0.00 C ATOM 761 C MET A 56 1.477 -0.021 -13.958 1.00 0.00 C ATOM 762 O MET A 56 1.937 -1.127 -14.236 1.00 0.00 O ATOM 763 CB MET A 56 1.638 1.456 -15.971 1.00 0.00 C ATOM 764 CG MET A 56 0.136 1.649 -16.106 1.00 0.00 C ATOM 765 SD MET A 56 -0.354 3.381 -15.999 1.00 0.00 S ATOM 766 CE MET A 56 -1.437 3.339 -14.573 1.00 0.00 C ATOM 0 H MET A 56 3.957 0.317 -14.824 1.00 0.00 H new ATOM 0 HA MET A 56 1.774 2.096 -13.925 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.147 2.326 -16.386 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.941 0.596 -16.568 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.195 1.240 -17.061 1.00 0.00 H new ATOM 0 HG3 MET A 56 -0.371 1.083 -15.324 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.424 3.705 -14.855 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.520 2.315 -14.209 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.027 3.971 -13.786 1.00 0.00 H new ATOM 776 N GLU A 57 0.428 0.148 -13.159 1.00 0.00 N ATOM 777 CA GLU A 57 -0.257 -0.986 -12.550 1.00 0.00 C ATOM 778 C GLU A 57 -1.706 -1.064 -13.022 1.00 0.00 C ATOM 779 O GLU A 57 -2.267 -0.082 -13.510 1.00 0.00 O ATOM 780 CB GLU A 57 -0.212 -0.878 -11.024 1.00 0.00 C ATOM 781 CG GLU A 57 -1.390 -1.541 -10.331 1.00 0.00 C ATOM 782 CD GLU A 57 -1.318 -1.428 -8.821 1.00 0.00 C ATOM 783 OE1 GLU A 57 -1.073 -0.310 -8.321 1.00 0.00 O ATOM 784 OE2 GLU A 57 -1.507 -2.457 -8.139 1.00 0.00 O ATOM 0 H GLU A 57 0.035 1.058 -12.919 1.00 0.00 H new ATOM 0 HA GLU A 57 0.257 -1.896 -12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.712 -1.330 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.182 0.175 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.316 -1.086 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.426 -2.594 -10.611 1.00 0.00 H new ATOM 791 N THR A 58 -2.309 -2.240 -12.873 1.00 0.00 N ATOM 792 CA THR A 58 -3.691 -2.448 -13.285 1.00 0.00 C ATOM 793 C THR A 58 -4.523 -3.030 -12.147 1.00 0.00 C ATOM 794 O THR A 58 -4.173 -4.063 -11.577 1.00 0.00 O ATOM 795 CB THR A 58 -3.779 -3.387 -14.503 1.00 0.00 C ATOM 796 OG1 THR A 58 -2.828 -2.991 -15.497 1.00 0.00 O ATOM 797 CG2 THR A 58 -5.179 -3.372 -15.098 1.00 0.00 C ATOM 0 H THR A 58 -1.861 -3.063 -12.470 1.00 0.00 H new ATOM 0 HA THR A 58 -4.089 -1.471 -13.559 1.00 0.00 H new ATOM 0 HB THR A 58 -3.554 -4.400 -14.170 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.889 -3.594 -16.267 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.217 -4.042 -15.957 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.897 -3.703 -14.347 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.428 -2.360 -15.417 1.00 0.00 H new ATOM 805 N ILE A 59 -5.624 -2.360 -11.823 1.00 0.00 N ATOM 806 CA ILE A 59 -6.505 -2.813 -10.754 1.00 0.00 C ATOM 807 C ILE A 59 -7.716 -3.551 -11.316 1.00 0.00 C ATOM 808 O ILE A 59 -8.409 -3.046 -12.198 1.00 0.00 O ATOM 809 CB ILE A 59 -6.992 -1.636 -9.889 1.00 0.00 C ATOM 810 CG1 ILE A 59 -5.800 -0.821 -9.381 1.00 0.00 C ATOM 811 CG2 ILE A 59 -7.827 -2.145 -8.724 1.00 0.00 C ATOM 812 CD1 ILE A 59 -5.338 0.243 -10.352 1.00 0.00 C ATOM 0 H ILE A 59 -5.927 -1.503 -12.285 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.923 -3.494 -10.132 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.617 -0.987 -10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.070 -0.348 -8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.970 -1.497 -9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.164 -1.301 -8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.692 -2.687 -9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.224 -2.812 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.491 0.781 -9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.037 -0.226 -11.289 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.153 0.941 -10.541 1.00 0.00 H new ATOM 824 N ASN A 60 -7.966 -4.749 -10.796 1.00 0.00 N ATOM 825 CA ASN A 60 -9.094 -5.556 -11.245 1.00 0.00 C ATOM 826 C ASN A 60 -10.279 -5.410 -10.295 1.00 0.00 C ATOM 827 O ASN A 60 -10.343 -6.071 -9.257 1.00 0.00 O ATOM 828 CB ASN A 60 -8.686 -7.027 -11.348 1.00 0.00 C ATOM 829 CG ASN A 60 -7.667 -7.269 -12.444 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.602 -7.838 -12.202 1.00 0.00 O ATOM 831 ND2 ASN A 60 -7.989 -6.838 -13.657 1.00 0.00 N ATOM 0 H ASN A 60 -7.403 -5.181 -10.064 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.395 -5.200 -12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.274 -7.354 -10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.571 -7.634 -11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.343 -6.973 -14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.883 -6.371 -13.812 1.00 0.00 H new ATOM 838 N THR A 61 -11.218 -4.541 -10.657 1.00 0.00 N ATOM 839 CA THR A 61 -12.400 -4.308 -9.838 1.00 0.00 C ATOM 840 C THR A 61 -13.677 -4.492 -10.650 1.00 0.00 C ATOM 841 O THR A 61 -13.915 -3.776 -11.622 1.00 0.00 O ATOM 842 CB THR A 61 -12.392 -2.893 -9.230 1.00 0.00 C ATOM 843 OG1 THR A 61 -13.656 -2.616 -8.615 1.00 0.00 O ATOM 844 CG2 THR A 61 -12.101 -1.847 -10.296 1.00 0.00 C ATOM 0 H THR A 61 -11.182 -3.987 -11.513 1.00 0.00 H new ATOM 0 HA THR A 61 -12.376 -5.042 -9.033 1.00 0.00 H new ATOM 0 HB THR A 61 -11.605 -2.850 -8.477 1.00 0.00 H new ATOM 0 HG1 THR A 61 -14.261 -2.217 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.101 -0.856 -9.843 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.126 -2.043 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.868 -1.892 -11.069 1.00 0.00 H new ATOM 852 N GLY A 62 -14.496 -5.458 -10.246 1.00 0.00 N ATOM 853 CA GLY A 62 -15.740 -5.718 -10.947 1.00 0.00 C ATOM 854 C GLY A 62 -15.526 -5.995 -12.422 1.00 0.00 C ATOM 855 O GLY A 62 -14.436 -6.370 -12.854 1.00 0.00 O ATOM 0 H GLY A 62 -14.320 -6.065 -9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.240 -6.571 -10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.404 -4.861 -10.834 1.00 0.00 H new ATOM 859 N PRO A 63 -16.586 -5.810 -13.223 1.00 0.00 N ATOM 860 CA PRO A 63 -16.535 -6.037 -14.670 1.00 0.00 C ATOM 861 C PRO A 63 -15.686 -4.996 -15.391 1.00 0.00 C ATOM 862 O PRO A 63 -15.580 -5.008 -16.617 1.00 0.00 O ATOM 863 CB PRO A 63 -18.000 -5.923 -15.099 1.00 0.00 C ATOM 864 CG PRO A 63 -18.632 -5.058 -14.064 1.00 0.00 C ATOM 865 CD PRO A 63 -17.917 -5.364 -12.776 1.00 0.00 C ATOM 0 HA PRO A 63 -16.078 -6.995 -14.916 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -18.089 -5.482 -16.092 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.477 -6.902 -15.142 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -18.534 -4.004 -14.324 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.698 -5.268 -13.978 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.852 -4.486 -12.134 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.430 -6.138 -12.206 1.00 0.00 H new ATOM 873 N PHE A 64 -15.082 -4.096 -14.621 1.00 0.00 N ATOM 874 CA PHE A 64 -14.243 -3.046 -15.187 1.00 0.00 C ATOM 875 C PHE A 64 -12.830 -3.112 -14.614 1.00 0.00 C ATOM 876 O PHE A 64 -12.531 -3.951 -13.764 1.00 0.00 O ATOM 877 CB PHE A 64 -14.853 -1.671 -14.911 1.00 0.00 C ATOM 878 CG PHE A 64 -15.638 -1.609 -13.632 1.00 0.00 C ATOM 879 CD1 PHE A 64 -16.975 -1.969 -13.605 1.00 0.00 C ATOM 880 CD2 PHE A 64 -15.037 -1.189 -12.455 1.00 0.00 C ATOM 881 CE1 PHE A 64 -17.700 -1.914 -12.429 1.00 0.00 C ATOM 882 CE2 PHE A 64 -15.757 -1.132 -11.276 1.00 0.00 C ATOM 883 CZ PHE A 64 -17.090 -1.494 -11.264 1.00 0.00 C ATOM 0 H PHE A 64 -15.158 -4.073 -13.604 1.00 0.00 H new ATOM 0 HA PHE A 64 -14.188 -3.201 -16.265 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -14.055 -0.929 -14.875 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -15.504 -1.398 -15.741 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -17.457 -2.297 -14.514 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -13.995 -0.903 -12.459 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -18.742 -2.199 -12.422 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -15.278 -0.805 -10.365 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.654 -1.449 -10.344 1.00 0.00 H new ATOM 893 N VAL A 65 -11.964 -2.221 -15.086 1.00 0.00 N ATOM 894 CA VAL A 65 -10.583 -2.176 -14.621 1.00 0.00 C ATOM 895 C VAL A 65 -10.079 -0.740 -14.532 1.00 0.00 C ATOM 896 O VAL A 65 -10.387 0.090 -15.387 1.00 0.00 O ATOM 897 CB VAL A 65 -9.652 -2.979 -15.550 1.00 0.00 C ATOM 898 CG1 VAL A 65 -8.210 -2.879 -15.076 1.00 0.00 C ATOM 899 CG2 VAL A 65 -10.099 -4.431 -15.625 1.00 0.00 C ATOM 0 H VAL A 65 -12.195 -1.520 -15.790 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.569 -2.625 -13.628 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.710 -2.553 -16.552 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.567 -3.452 -15.744 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.898 -1.835 -15.079 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.131 -3.278 -14.065 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.431 -4.984 -16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.071 -4.872 -14.629 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.116 -4.479 -16.015 1.00 0.00 H new ATOM 909 N MET A 66 -9.302 -0.455 -13.493 1.00 0.00 N ATOM 910 CA MET A 66 -8.754 0.882 -13.293 1.00 0.00 C ATOM 911 C MET A 66 -7.287 0.935 -13.708 1.00 0.00 C ATOM 912 O MET A 66 -6.689 -0.088 -14.041 1.00 0.00 O ATOM 913 CB MET A 66 -8.897 1.302 -11.829 1.00 0.00 C ATOM 914 CG MET A 66 -10.282 1.048 -11.257 1.00 0.00 C ATOM 915 SD MET A 66 -11.450 2.363 -11.656 1.00 0.00 S ATOM 916 CE MET A 66 -12.696 1.447 -12.559 1.00 0.00 C ATOM 0 H MET A 66 -9.037 -1.131 -12.777 1.00 0.00 H new ATOM 0 HA MET A 66 -9.316 1.575 -13.918 1.00 0.00 H new ATOM 0 HB2 MET A 66 -8.162 0.763 -11.231 1.00 0.00 H new ATOM 0 HB3 MET A 66 -8.665 2.363 -11.740 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.662 0.101 -11.641 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.211 0.947 -10.174 1.00 0.00 H new ATOM 0 HE1 MET A 66 -13.128 2.084 -13.331 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.240 0.573 -13.023 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.480 1.126 -11.873 1.00 0.00 H new ATOM 926 N ARG A 67 -6.713 2.134 -13.687 1.00 0.00 N ATOM 927 CA ARG A 67 -5.317 2.319 -14.062 1.00 0.00 C ATOM 928 C ARG A 67 -4.643 3.348 -13.159 1.00 0.00 C ATOM 929 O ARG A 67 -4.999 4.527 -13.170 1.00 0.00 O ATOM 930 CB ARG A 67 -5.214 2.762 -15.523 1.00 0.00 C ATOM 931 CG ARG A 67 -5.735 1.731 -16.510 1.00 0.00 C ATOM 932 CD ARG A 67 -4.643 0.759 -16.929 1.00 0.00 C ATOM 933 NE ARG A 67 -5.172 -0.353 -17.715 1.00 0.00 N ATOM 934 CZ ARG A 67 -5.467 -0.264 -19.007 1.00 0.00 C ATOM 935 NH1 ARG A 67 -5.286 0.878 -19.655 1.00 0.00 N ATOM 936 NH2 ARG A 67 -5.944 -1.320 -19.654 1.00 0.00 N ATOM 0 H ARG A 67 -7.194 2.991 -13.414 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.805 1.364 -13.941 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.771 3.690 -15.652 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.172 2.980 -15.755 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.561 1.180 -16.060 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.131 2.237 -17.391 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.890 1.289 -17.512 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.144 0.370 -16.042 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.323 -1.246 -17.246 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.919 1.692 -19.161 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.514 0.943 -20.647 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.084 -2.201 -19.159 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.170 -1.251 -20.646 1.00 0.00 H new ATOM 950 N SER A 68 -3.669 2.894 -12.377 1.00 0.00 N ATOM 951 CA SER A 68 -2.948 3.774 -11.464 1.00 0.00 C ATOM 952 C SER A 68 -1.477 3.380 -11.378 1.00 0.00 C ATOM 953 O SER A 68 -1.125 2.209 -11.531 1.00 0.00 O ATOM 954 CB SER A 68 -3.583 3.730 -10.073 1.00 0.00 C ATOM 955 OG SER A 68 -3.264 4.894 -9.330 1.00 0.00 O ATOM 0 H SER A 68 -3.361 1.922 -12.357 1.00 0.00 H new ATOM 0 HA SER A 68 -3.011 4.791 -11.852 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.665 3.640 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.234 2.846 -9.538 1.00 0.00 H new ATOM 0 HG SER A 68 -3.683 4.843 -8.446 1.00 0.00 H new ATOM 961 N THR A 69 -0.620 4.365 -11.131 1.00 0.00 N ATOM 962 CA THR A 69 0.813 4.124 -11.025 1.00 0.00 C ATOM 963 C THR A 69 1.103 2.909 -10.150 1.00 0.00 C ATOM 964 O THR A 69 0.425 2.677 -9.148 1.00 0.00 O ATOM 965 CB THR A 69 1.548 5.347 -10.445 1.00 0.00 C ATOM 966 OG1 THR A 69 1.181 6.527 -11.168 1.00 0.00 O ATOM 967 CG2 THR A 69 3.056 5.154 -10.511 1.00 0.00 C ATOM 0 H THR A 69 -0.894 5.339 -11.000 1.00 0.00 H new ATOM 0 HA THR A 69 1.177 3.937 -12.035 1.00 0.00 H new ATOM 0 HB THR A 69 1.257 5.456 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.651 7.300 -10.792 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.554 6.030 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.335 4.272 -9.935 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.361 5.022 -11.549 1.00 0.00 H new ATOM 975 N CYS A 70 2.113 2.137 -10.534 1.00 0.00 N ATOM 976 CA CYS A 70 2.493 0.945 -9.785 1.00 0.00 C ATOM 977 C CYS A 70 2.651 1.264 -8.301 1.00 0.00 C ATOM 978 O CYS A 70 2.675 2.429 -7.904 1.00 0.00 O ATOM 979 CB CYS A 70 3.798 0.366 -10.335 1.00 0.00 C ATOM 980 SG CYS A 70 4.076 -1.382 -9.904 1.00 0.00 S ATOM 0 H CYS A 70 2.684 2.315 -11.360 1.00 0.00 H new ATOM 0 HA CYS A 70 1.700 0.206 -9.898 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.798 0.466 -11.420 1.00 0.00 H new ATOM 0 HB3 CYS A 70 4.632 0.959 -9.960 1.00 0.00 H new ATOM 0 HG CYS A 70 4.313 -2.063 -10.986 1.00 0.00 H new ATOM 985 N ARG A 71 2.759 0.219 -7.486 1.00 0.00 N ATOM 986 CA ARG A 71 2.914 0.387 -6.046 1.00 0.00 C ATOM 987 C ARG A 71 4.148 -0.355 -5.541 1.00 0.00 C ATOM 988 O ARG A 71 4.851 0.123 -4.651 1.00 0.00 O ATOM 989 CB ARG A 71 1.668 -0.118 -5.315 1.00 0.00 C ATOM 990 CG ARG A 71 1.460 -1.619 -5.433 1.00 0.00 C ATOM 991 CD ARG A 71 0.039 -2.014 -5.063 1.00 0.00 C ATOM 992 NE ARG A 71 -0.313 -1.592 -3.710 1.00 0.00 N ATOM 993 CZ ARG A 71 -1.260 -2.173 -2.982 1.00 0.00 C ATOM 994 NH1 ARG A 71 -1.945 -3.196 -3.474 1.00 0.00 N ATOM 995 NH2 ARG A 71 -1.522 -1.732 -1.758 1.00 0.00 N ATOM 0 H ARG A 71 2.742 -0.752 -7.798 1.00 0.00 H new ATOM 0 HA ARG A 71 3.042 1.450 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.743 0.148 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.792 0.394 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.674 -1.938 -6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.164 -2.138 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.657 -1.569 -5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.069 -3.096 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 71 0.196 -0.808 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.745 -3.539 -4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.672 -3.640 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.996 -0.946 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.249 -2.179 -1.200 1.00 0.00 H new ATOM 1009 N ARG A 72 4.405 -1.525 -6.117 1.00 0.00 N ATOM 1010 CA ARG A 72 5.553 -2.334 -5.725 1.00 0.00 C ATOM 1011 C ARG A 72 6.855 -1.563 -5.925 1.00 0.00 C ATOM 1012 O ARG A 72 7.691 -1.492 -5.024 1.00 0.00 O ATOM 1013 CB ARG A 72 5.588 -3.633 -6.532 1.00 0.00 C ATOM 1014 CG ARG A 72 4.605 -4.683 -6.039 1.00 0.00 C ATOM 1015 CD ARG A 72 5.030 -5.258 -4.697 1.00 0.00 C ATOM 1016 NE ARG A 72 5.884 -6.432 -4.851 1.00 0.00 N ATOM 1017 CZ ARG A 72 6.826 -6.776 -3.979 1.00 0.00 C ATOM 1018 NH1 ARG A 72 7.032 -6.038 -2.896 1.00 0.00 N ATOM 1019 NH2 ARG A 72 7.562 -7.859 -4.188 1.00 0.00 N ATOM 0 H ARG A 72 3.834 -1.934 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 72 5.452 -2.575 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.373 -3.408 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.596 -4.046 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.613 -4.240 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.530 -5.486 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.561 -4.495 -4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.145 -5.527 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 72 5.750 -7.021 -5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.467 -5.205 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.755 -6.304 -2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.406 -8.429 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.285 -8.122 -3.518 1.00 0.00 H new ATOM 1033 N CYS A 73 7.019 -0.988 -7.111 1.00 0.00 N ATOM 1034 CA CYS A 73 8.219 -0.224 -7.431 1.00 0.00 C ATOM 1035 C CYS A 73 7.974 1.272 -7.252 1.00 0.00 C ATOM 1036 O CYS A 73 8.834 1.997 -6.752 1.00 0.00 O ATOM 1037 CB CYS A 73 8.664 -0.510 -8.866 1.00 0.00 C ATOM 1038 SG CYS A 73 7.454 -0.013 -10.134 1.00 0.00 S ATOM 0 H CYS A 73 6.336 -1.036 -7.867 1.00 0.00 H new ATOM 0 HA CYS A 73 9.009 -0.531 -6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.604 0.009 -9.053 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.863 -1.577 -8.967 1.00 0.00 H new ATOM 0 HG CYS A 73 6.309 -0.576 -9.886 1.00 0.00 H new ATOM 1043 N GLY A 74 6.795 1.727 -7.663 1.00 0.00 N ATOM 1044 CA GLY A 74 6.458 3.133 -7.540 1.00 0.00 C ATOM 1045 C GLY A 74 6.700 3.902 -8.823 1.00 0.00 C ATOM 1046 O GLY A 74 7.064 5.077 -8.792 1.00 0.00 O ATOM 0 H GLY A 74 6.067 1.147 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.410 3.229 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.048 3.576 -6.738 1.00 0.00 H new ATOM 1050 N GLY A 75 6.500 3.237 -9.957 1.00 0.00 N ATOM 1051 CA GLY A 75 6.706 3.881 -11.241 1.00 0.00 C ATOM 1052 C GLY A 75 8.172 3.968 -11.618 1.00 0.00 C ATOM 1053 O GLY A 75 8.629 4.990 -12.128 1.00 0.00 O ATOM 0 H GLY A 75 6.199 2.264 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.168 3.329 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.281 4.884 -11.213 1.00 0.00 H new ATOM 1057 N ARG A 76 8.911 2.893 -11.364 1.00 0.00 N ATOM 1058 CA ARG A 76 10.334 2.852 -11.678 1.00 0.00 C ATOM 1059 C ARG A 76 10.652 1.692 -12.616 1.00 0.00 C ATOM 1060 O ARG A 76 11.454 1.828 -13.539 1.00 0.00 O ATOM 1061 CB ARG A 76 11.157 2.724 -10.394 1.00 0.00 C ATOM 1062 CG ARG A 76 12.609 2.346 -10.637 1.00 0.00 C ATOM 1063 CD ARG A 76 13.522 2.920 -9.565 1.00 0.00 C ATOM 1064 NE ARG A 76 13.432 4.376 -9.492 1.00 0.00 N ATOM 1065 CZ ARG A 76 13.969 5.191 -10.393 1.00 0.00 C ATOM 1066 NH1 ARG A 76 14.630 4.695 -11.430 1.00 0.00 N ATOM 1067 NH2 ARG A 76 13.845 6.505 -10.258 1.00 0.00 N ATOM 0 H ARG A 76 8.548 2.039 -10.942 1.00 0.00 H new ATOM 0 HA ARG A 76 10.596 3.783 -12.180 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.122 3.670 -9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.698 1.973 -9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.705 1.260 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.922 2.710 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.259 2.492 -8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.552 2.630 -9.773 1.00 0.00 H new ATOM 0 HE ARG A 76 12.930 4.789 -8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.727 3.685 -11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.041 5.323 -12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.337 6.890 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.258 7.130 -10.950 1.00 0.00 H new ATOM 1081 N GLY A 77 10.016 0.550 -12.374 1.00 0.00 N ATOM 1082 CA GLY A 77 10.244 -0.617 -13.205 1.00 0.00 C ATOM 1083 C GLY A 77 11.046 -1.688 -12.493 1.00 0.00 C ATOM 1084 O GLY A 77 11.169 -2.811 -12.984 1.00 0.00 O ATOM 0 H GLY A 77 9.347 0.412 -11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.285 -1.032 -13.515 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.769 -0.317 -14.112 1.00 0.00 H new ATOM 1088 N SER A 78 11.594 -1.342 -11.333 1.00 0.00 N ATOM 1089 CA SER A 78 12.394 -2.281 -10.554 1.00 0.00 C ATOM 1090 C SER A 78 12.320 -1.953 -9.066 1.00 0.00 C ATOM 1091 O SER A 78 12.172 -0.792 -8.682 1.00 0.00 O ATOM 1092 CB SER A 78 13.850 -2.255 -11.023 1.00 0.00 C ATOM 1093 OG SER A 78 13.932 -2.329 -12.436 1.00 0.00 O ATOM 0 H SER A 78 11.499 -0.418 -10.911 1.00 0.00 H new ATOM 0 HA SER A 78 11.989 -3.281 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.331 -1.341 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.393 -3.090 -10.580 1.00 0.00 H new ATOM 0 HG SER A 78 14.873 -2.309 -12.711 1.00 0.00 H new ATOM 1099 N ILE A 79 12.425 -2.983 -8.234 1.00 0.00 N ATOM 1100 CA ILE A 79 12.372 -2.805 -6.788 1.00 0.00 C ATOM 1101 C ILE A 79 13.771 -2.650 -6.202 1.00 0.00 C ATOM 1102 O ILE A 79 14.481 -3.635 -5.994 1.00 0.00 O ATOM 1103 CB ILE A 79 11.668 -3.990 -6.101 1.00 0.00 C ATOM 1104 CG1 ILE A 79 10.236 -4.132 -6.621 1.00 0.00 C ATOM 1105 CG2 ILE A 79 11.673 -3.805 -4.590 1.00 0.00 C ATOM 1106 CD1 ILE A 79 10.108 -5.095 -7.780 1.00 0.00 C ATOM 0 H ILE A 79 12.547 -3.950 -8.536 1.00 0.00 H new ATOM 0 HA ILE A 79 11.800 -1.896 -6.602 1.00 0.00 H new ATOM 0 HB ILE A 79 12.213 -4.904 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.594 -4.468 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.872 -3.153 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.172 -4.650 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.702 -3.748 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.149 -2.884 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.066 -5.146 -8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 79 10.724 -4.749 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.442 -6.085 -7.469 1.00 0.00 H new ATOM 1118 N ILE A 80 14.161 -1.408 -5.935 1.00 0.00 N ATOM 1119 CA ILE A 80 15.474 -1.124 -5.370 1.00 0.00 C ATOM 1120 C ILE A 80 15.476 -1.321 -3.858 1.00 0.00 C ATOM 1121 O ILE A 80 15.000 -0.467 -3.110 1.00 0.00 O ATOM 1122 CB ILE A 80 15.926 0.313 -5.689 1.00 0.00 C ATOM 1123 CG1 ILE A 80 16.002 0.523 -7.203 1.00 0.00 C ATOM 1124 CG2 ILE A 80 17.271 0.602 -5.041 1.00 0.00 C ATOM 1125 CD1 ILE A 80 16.069 1.979 -7.608 1.00 0.00 C ATOM 0 H ILE A 80 13.586 -0.582 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 80 16.172 -1.826 -5.827 1.00 0.00 H new ATOM 0 HB ILE A 80 15.192 1.008 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 80 16.880 0.006 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.130 0.064 -7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 80 17.577 1.622 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 80 17.186 0.489 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 80 18.016 -0.097 -5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 80 16.121 2.052 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE A 80 15.179 2.497 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 80 16.956 2.438 -7.170 1.00 0.00 H new ATOM 1137 N ILE A 81 16.015 -2.452 -3.415 1.00 0.00 N ATOM 1138 CA ILE A 81 16.081 -2.760 -1.992 1.00 0.00 C ATOM 1139 C ILE A 81 16.616 -1.574 -1.197 1.00 0.00 C ATOM 1140 O ILE A 81 16.182 -1.320 -0.074 1.00 0.00 O ATOM 1141 CB ILE A 81 16.972 -3.988 -1.723 1.00 0.00 C ATOM 1142 CG1 ILE A 81 16.369 -5.235 -2.373 1.00 0.00 C ATOM 1143 CG2 ILE A 81 17.148 -4.196 -0.226 1.00 0.00 C ATOM 1144 CD1 ILE A 81 16.867 -5.484 -3.779 1.00 0.00 C ATOM 0 H ILE A 81 16.412 -3.170 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 81 15.064 -2.981 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 81 17.953 -3.811 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 81 16.598 -6.104 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 81 15.284 -5.136 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 81 17.780 -5.067 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 81 17.617 -3.314 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 81 16.174 -4.356 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 81 16.398 -6.384 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 81 16.614 -4.633 -4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 81 17.949 -5.615 -3.764 1.00 0.00 H new ATOM 1156 N SER A 82 17.561 -0.850 -1.789 1.00 0.00 N ATOM 1157 CA SER A 82 18.157 0.310 -1.135 1.00 0.00 C ATOM 1158 C SER A 82 18.153 1.519 -2.065 1.00 0.00 C ATOM 1159 O SER A 82 19.031 1.687 -2.911 1.00 0.00 O ATOM 1160 CB SER A 82 19.589 -0.006 -0.697 1.00 0.00 C ATOM 1161 OG SER A 82 19.936 0.719 0.470 1.00 0.00 O ATOM 0 H SER A 82 17.930 -1.046 -2.719 1.00 0.00 H new ATOM 0 HA SER A 82 17.559 0.548 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.687 -1.075 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.282 0.240 -1.502 1.00 0.00 H new ATOM 0 HG SER A 82 20.855 0.499 0.731 1.00 0.00 H new ATOM 1167 N PRO A 83 17.140 2.384 -1.905 1.00 0.00 N ATOM 1168 CA PRO A 83 16.995 3.594 -2.719 1.00 0.00 C ATOM 1169 C PRO A 83 18.063 4.636 -2.404 1.00 0.00 C ATOM 1170 O PRO A 83 18.408 4.855 -1.243 1.00 0.00 O ATOM 1171 CB PRO A 83 15.609 4.117 -2.336 1.00 0.00 C ATOM 1172 CG PRO A 83 15.368 3.582 -0.966 1.00 0.00 C ATOM 1173 CD PRO A 83 16.058 2.247 -0.915 1.00 0.00 C ATOM 0 HA PRO A 83 17.107 3.384 -3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.580 5.207 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.848 3.771 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.767 4.256 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.301 3.477 -0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.448 2.034 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.379 1.434 -1.172 1.00 0.00 H new ATOM 1181 N CYS A 84 18.584 5.276 -3.446 1.00 0.00 N ATOM 1182 CA CYS A 84 19.613 6.295 -3.281 1.00 0.00 C ATOM 1183 C CYS A 84 19.366 7.119 -2.020 1.00 0.00 C ATOM 1184 O CYS A 84 18.222 7.403 -1.665 1.00 0.00 O ATOM 1185 CB CYS A 84 19.651 7.214 -4.504 1.00 0.00 C ATOM 1186 SG CYS A 84 21.195 8.166 -4.671 1.00 0.00 S ATOM 0 H CYS A 84 18.310 5.106 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 84 20.575 5.792 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 84 19.509 6.612 -5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 84 18.813 7.908 -4.450 1.00 0.00 H new ATOM 0 HG CYS A 84 21.306 8.603 -5.890 1.00 0.00 H new ATOM 1191 N VAL A 85 20.448 7.500 -1.348 1.00 0.00 N ATOM 1192 CA VAL A 85 20.349 8.292 -0.128 1.00 0.00 C ATOM 1193 C VAL A 85 20.587 9.771 -0.411 1.00 0.00 C ATOM 1194 O VAL A 85 20.635 10.590 0.506 1.00 0.00 O ATOM 1195 CB VAL A 85 21.358 7.815 0.934 1.00 0.00 C ATOM 1196 CG1 VAL A 85 21.145 6.342 1.250 1.00 0.00 C ATOM 1197 CG2 VAL A 85 22.783 8.067 0.465 1.00 0.00 C ATOM 0 H VAL A 85 21.402 7.273 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 85 19.338 8.157 0.255 1.00 0.00 H new ATOM 0 HB VAL A 85 21.194 8.385 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 85 21.867 6.023 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 85 20.135 6.194 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 85 21.281 5.752 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 85 23.483 7.724 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 85 22.962 7.524 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 85 22.927 9.134 0.294 1.00 0.00 H new ATOM 1207 N VAL A 86 20.736 10.106 -1.689 1.00 0.00 N ATOM 1208 CA VAL A 86 20.968 11.487 -2.095 1.00 0.00 C ATOM 1209 C VAL A 86 19.733 12.077 -2.767 1.00 0.00 C ATOM 1210 O VAL A 86 19.308 13.186 -2.445 1.00 0.00 O ATOM 1211 CB VAL A 86 22.165 11.595 -3.059 1.00 0.00 C ATOM 1212 CG1 VAL A 86 21.927 12.693 -4.084 1.00 0.00 C ATOM 1213 CG2 VAL A 86 23.450 11.845 -2.285 1.00 0.00 C ATOM 0 H VAL A 86 20.700 9.440 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 86 21.189 12.051 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 86 22.267 10.650 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 86 22.783 12.755 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 86 21.029 12.466 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 86 21.798 13.647 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 86 24.286 11.919 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 86 23.362 12.775 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 86 23.625 11.020 -1.594 1.00 0.00 H new ATOM 1223 N CYS A 87 19.162 11.327 -3.704 1.00 0.00 N ATOM 1224 CA CYS A 87 17.975 11.775 -4.423 1.00 0.00 C ATOM 1225 C CYS A 87 16.766 10.914 -4.067 1.00 0.00 C ATOM 1226 O CYS A 87 15.714 11.011 -4.699 1.00 0.00 O ATOM 1227 CB CYS A 87 18.220 11.729 -5.932 1.00 0.00 C ATOM 1228 SG CYS A 87 18.423 10.047 -6.603 1.00 0.00 S ATOM 0 H CYS A 87 19.502 10.407 -3.983 1.00 0.00 H new ATOM 0 HA CYS A 87 17.767 12.803 -4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 87 17.385 12.213 -6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 87 19.113 12.310 -6.162 1.00 0.00 H new ATOM 0 HG CYS A 87 19.524 9.984 -7.291 1.00 0.00 H new ATOM 1233 N ARG A 88 16.925 10.072 -3.051 1.00 0.00 N ATOM 1234 CA ARG A 88 15.848 9.193 -2.611 1.00 0.00 C ATOM 1235 C ARG A 88 15.115 8.592 -3.806 1.00 0.00 C ATOM 1236 O ARG A 88 13.886 8.529 -3.826 1.00 0.00 O ATOM 1237 CB ARG A 88 14.863 9.961 -1.728 1.00 0.00 C ATOM 1238 CG ARG A 88 15.523 10.684 -0.565 1.00 0.00 C ATOM 1239 CD ARG A 88 16.150 9.705 0.416 1.00 0.00 C ATOM 1240 NE ARG A 88 15.157 9.115 1.309 1.00 0.00 N ATOM 1241 CZ ARG A 88 14.627 9.755 2.345 1.00 0.00 C ATOM 1242 NH1 ARG A 88 14.993 11.000 2.617 1.00 0.00 N ATOM 1243 NH2 ARG A 88 13.729 9.150 3.112 1.00 0.00 N ATOM 0 H ARG A 88 17.789 9.980 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 88 16.288 8.382 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.329 10.688 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 88 14.120 9.266 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.288 11.362 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.783 11.295 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.657 8.914 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.909 10.219 1.006 1.00 0.00 H new ATOM 0 HE ARG A 88 14.854 8.158 1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.683 11.468 2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.584 11.489 3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.445 8.192 2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.323 9.643 3.907 1.00 0.00 H new ATOM 1257 N GLY A 89 15.877 8.152 -4.802 1.00 0.00 N ATOM 1258 CA GLY A 89 15.283 7.562 -5.988 1.00 0.00 C ATOM 1259 C GLY A 89 14.500 8.570 -6.806 1.00 0.00 C ATOM 1260 O GLY A 89 13.460 8.243 -7.377 1.00 0.00 O ATOM 0 H GLY A 89 16.896 8.193 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.069 7.128 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.623 6.747 -5.693 1.00 0.00 H new ATOM 1264 N ALA A 90 15.000 9.800 -6.862 1.00 0.00 N ATOM 1265 CA ALA A 90 14.341 10.859 -7.616 1.00 0.00 C ATOM 1266 C ALA A 90 14.929 10.983 -9.017 1.00 0.00 C ATOM 1267 O ALA A 90 14.233 11.347 -9.964 1.00 0.00 O ATOM 1268 CB ALA A 90 14.453 12.183 -6.876 1.00 0.00 C ATOM 0 H ALA A 90 15.859 10.088 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 90 13.287 10.599 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.956 12.964 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.979 12.095 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.504 12.440 -6.747 1.00 0.00 H new ATOM 1274 N GLY A 91 16.217 10.677 -9.143 1.00 0.00 N ATOM 1275 CA GLY A 91 16.878 10.762 -10.432 1.00 0.00 C ATOM 1276 C GLY A 91 17.690 12.033 -10.585 1.00 0.00 C ATOM 1277 O GLY A 91 18.577 12.111 -11.434 1.00 0.00 O ATOM 0 H GLY A 91 16.814 10.372 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.532 9.899 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.131 10.715 -11.224 1.00 0.00 H new ATOM 1281 N GLN A 92 17.384 13.031 -9.763 1.00 0.00 N ATOM 1282 CA GLN A 92 18.091 14.306 -9.813 1.00 0.00 C ATOM 1283 C GLN A 92 18.613 14.694 -8.434 1.00 0.00 C ATOM 1284 O GLN A 92 18.193 14.135 -7.421 1.00 0.00 O ATOM 1285 CB GLN A 92 17.170 15.403 -10.351 1.00 0.00 C ATOM 1286 CG GLN A 92 17.216 15.548 -11.863 1.00 0.00 C ATOM 1287 CD GLN A 92 16.260 14.607 -12.569 1.00 0.00 C ATOM 1288 OE1 GLN A 92 16.657 13.545 -13.049 1.00 0.00 O ATOM 1289 NE2 GLN A 92 14.991 14.993 -12.637 1.00 0.00 N ATOM 0 H GLN A 92 16.652 12.982 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 92 18.942 14.195 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.146 15.188 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.446 16.354 -9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.974 16.576 -12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.231 15.358 -12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.705 15.881 -12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.302 14.401 -13.101 1.00 0.00 H new ATOM 1298 N ALA A 93 19.530 15.655 -8.402 1.00 0.00 N ATOM 1299 CA ALA A 93 20.108 16.119 -7.147 1.00 0.00 C ATOM 1300 C ALA A 93 20.580 17.564 -7.261 1.00 0.00 C ATOM 1301 O ALA A 93 20.717 18.099 -8.362 1.00 0.00 O ATOM 1302 CB ALA A 93 21.260 15.216 -6.731 1.00 0.00 C ATOM 0 H ALA A 93 19.889 16.128 -9.232 1.00 0.00 H new ATOM 0 HA ALA A 93 19.333 16.077 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.682 15.574 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.895 14.197 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.029 15.229 -7.503 1.00 0.00 H new ATOM 1308 N LYS A 94 20.826 18.193 -6.117 1.00 0.00 N ATOM 1309 CA LYS A 94 21.283 19.577 -6.087 1.00 0.00 C ATOM 1310 C LYS A 94 22.783 19.661 -6.352 1.00 0.00 C ATOM 1311 O LYS A 94 23.576 19.835 -5.428 1.00 0.00 O ATOM 1312 CB LYS A 94 20.957 20.215 -4.735 1.00 0.00 C ATOM 1313 CG LYS A 94 19.581 20.855 -4.680 1.00 0.00 C ATOM 1314 CD LYS A 94 18.495 19.821 -4.432 1.00 0.00 C ATOM 1315 CE LYS A 94 17.163 20.260 -5.020 1.00 0.00 C ATOM 1316 NZ LYS A 94 16.354 21.038 -4.041 1.00 0.00 N ATOM 0 H LYS A 94 20.716 17.766 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 94 20.762 20.122 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.026 19.454 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.709 20.971 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.559 21.605 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.383 21.375 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.791 18.868 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.385 19.658 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.340 20.867 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.601 19.383 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.454 21.319 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.163 20.451 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.880 21.888 -3.754 1.00 0.00 H new