USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 584 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 67 LYS NZ :NH3+ 160:sc= 2.46 (180deg=1.31) USER MOD Set 1.2: A 77 TYR OH : rot -105:sc= 0.564 USER MOD Set 1.3: A 666 TYR OH : rot 180:sc= 0.814 USER MOD Set 2.1: A 50 CYS SG : rot 154:sc= 3.31 USER MOD Set 2.2: A 52 SER OG : rot 88:sc= -1.08! USER MOD Set 2.3: A 53 CYS SG : rot -50:sc= 0.815 USER MOD Set 2.4: A 73 CYS SG : rot -133:sc= -2.64! USER MOD Set 3.1: A 23 CYS SG : rot 165:sc= 0.85 USER MOD Set 3.2: A 26 CYS SG : rot -42:sc= 0.343 USER MOD Set 3.3: A 44 HIS : no HE2:sc= -0.853 K(o=0.41,f=-1.8) USER MOD Set 3.4: A 47 CYS SG : rot 102:sc= 0.0684 USER MOD Set 4.1: A 21 LYS NZ :NH3+ -141:sc= 1.05 (180deg=0) USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0.877 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.139) USER MOD Single : A 37 TYR OH : rot 91:sc= 0.0788 USER MOD Single : A 39 MET CE :methyl 161:sc= -0.149 (180deg=-0.475) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0762 USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= 2.12 (180deg=0.446) USER MOD Single : A 51 SER OG : rot 71:sc= -0.572 USER MOD Single : A 54 GLN : amide:sc= -0.953 X(o=-0.95,f=-0.64) USER MOD Single : A 56 GLN : amide:sc= -0.748! X(o=-0.75!,f=-0.69) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 63 SER OG : rot 180:sc= 0.196 USER MOD Single : A 64 SER OG : rot 160:sc= 0.15 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 68 SER OG : rot 142:sc= 0.405 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 664 SER OG : rot 180:sc= 0.123 USER MOD Single : A 665 GLN : amide:sc= 0.31 K(o=0.31,f=-3.6!) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 668 MET CE :methyl 175:sc= -1.81 (180deg=-1.82) USER MOD Single : A 671 THR OG1 : rot -52:sc= 0.896 USER MOD Single : A 675 THR OG1 : rot 157:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.733 -1.776 -6.085 1.00 0.00 N ATOM 327 CA LEU A 663 12.945 -3.004 -6.052 1.00 0.00 C ATOM 328 C LEU A 663 11.765 -2.914 -7.018 1.00 0.00 C ATOM 329 O LEU A 663 10.606 -3.004 -6.614 1.00 0.00 O ATOM 330 CB LEU A 663 12.448 -3.274 -4.628 1.00 0.00 C ATOM 331 CG LEU A 663 13.485 -3.042 -3.530 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.855 -2.341 -2.337 1.00 0.00 C ATOM 333 CD2 LEU A 663 14.114 -4.360 -3.105 1.00 0.00 C ATOM 0 HA LEU A 663 13.581 -3.832 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.585 -2.637 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 663 12.102 -4.306 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 663 14.269 -2.399 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.610 -2.185 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.453 -1.378 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 663 12.050 -2.957 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.850 -4.176 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.340 -5.027 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.603 -4.823 -3.962 1.00 0.00 H new ATOM 345 N SER A 664 12.079 -2.751 -8.297 1.00 0.00 N ATOM 346 CA SER A 664 11.076 -2.558 -9.338 1.00 0.00 C ATOM 347 C SER A 664 10.090 -3.727 -9.409 1.00 0.00 C ATOM 348 O SER A 664 8.882 -3.525 -9.539 1.00 0.00 O ATOM 349 CB SER A 664 11.774 -2.379 -10.687 1.00 0.00 C ATOM 350 OG SER A 664 13.123 -1.968 -10.513 1.00 0.00 O ATOM 0 H SER A 664 13.039 -2.749 -8.643 1.00 0.00 H new ATOM 0 HA SER A 664 10.502 -1.664 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.745 -3.316 -11.243 1.00 0.00 H new ATOM 0 HB3 SER A 664 11.239 -1.639 -11.282 1.00 0.00 H new ATOM 0 HG SER A 664 13.548 -1.862 -11.390 1.00 0.00 H new ATOM 356 N GLN A 665 10.609 -4.941 -9.296 1.00 0.00 N ATOM 357 CA GLN A 665 9.792 -6.144 -9.449 1.00 0.00 C ATOM 358 C GLN A 665 8.856 -6.339 -8.259 1.00 0.00 C ATOM 359 O GLN A 665 7.876 -7.080 -8.343 1.00 0.00 O ATOM 360 CB GLN A 665 10.683 -7.382 -9.609 1.00 0.00 C ATOM 361 CG GLN A 665 12.079 -7.084 -10.131 1.00 0.00 C ATOM 362 CD GLN A 665 13.112 -7.032 -9.024 1.00 0.00 C ATOM 363 OE1 GLN A 665 13.175 -6.068 -8.262 1.00 0.00 O ATOM 364 NE2 GLN A 665 13.925 -8.070 -8.927 1.00 0.00 N ATOM 0 H GLN A 665 11.593 -5.123 -9.099 1.00 0.00 H new ATOM 0 HA GLN A 665 9.186 -6.015 -10.346 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.768 -7.882 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.195 -8.081 -10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 665 12.364 -7.848 -10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 665 12.070 -6.131 -10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 665 13.838 -8.849 -9.580 1.00 0.00 H new ATOM 0 HE22 GLN A 665 14.639 -8.092 -8.199 1.00 0.00 H new ATOM 373 N TYR A 666 9.155 -5.664 -7.158 1.00 0.00 N ATOM 374 CA TYR A 666 8.384 -5.826 -5.934 1.00 0.00 C ATOM 375 C TYR A 666 7.390 -4.687 -5.750 1.00 0.00 C ATOM 376 O TYR A 666 6.585 -4.703 -4.817 1.00 0.00 O ATOM 377 CB TYR A 666 9.325 -5.889 -4.733 1.00 0.00 C ATOM 378 CG TYR A 666 10.346 -7.000 -4.814 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.952 -8.330 -4.872 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.704 -6.719 -4.819 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.882 -9.346 -4.931 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.640 -7.730 -4.873 1.00 0.00 C ATOM 383 CZ TYR A 666 12.223 -9.041 -4.930 1.00 0.00 C ATOM 384 OH TYR A 666 13.151 -10.053 -4.971 1.00 0.00 O ATOM 0 H TYR A 666 9.926 -4.999 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 666 7.823 -6.757 -6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.846 -4.936 -4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.734 -6.017 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.900 -8.573 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.034 -5.691 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.559 -10.376 -4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.694 -7.495 -4.871 1.00 0.00 H new ATOM 0 HH TYR A 666 14.053 -9.670 -4.965 1.00 0.00 H new ATOM 394 N LYS A 667 7.451 -3.703 -6.638 1.00 0.00 N ATOM 395 CA LYS A 667 6.595 -2.534 -6.540 1.00 0.00 C ATOM 396 C LYS A 667 5.147 -2.898 -6.835 1.00 0.00 C ATOM 397 O LYS A 667 4.822 -3.358 -7.930 1.00 0.00 O ATOM 398 CB LYS A 667 7.068 -1.449 -7.505 1.00 0.00 C ATOM 399 CG LYS A 667 8.373 -0.791 -7.087 1.00 0.00 C ATOM 400 CD LYS A 667 8.423 0.676 -7.483 1.00 0.00 C ATOM 401 CE LYS A 667 9.779 1.288 -7.172 1.00 0.00 C ATOM 402 NZ LYS A 667 10.557 1.561 -8.407 1.00 0.00 N ATOM 0 H LYS A 667 8.087 -3.694 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 667 6.655 -2.153 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 667 7.192 -1.885 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.295 -0.685 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 667 8.494 -0.879 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 667 9.209 -1.319 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 667 8.213 0.774 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 667 7.644 1.224 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 667 9.640 2.216 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 667 10.343 0.613 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 11.475 1.978 -8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 10.711 0.672 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 10.030 2.225 -9.010 1.00 0.00 H new ATOM 416 N MET A 668 4.291 -2.706 -5.849 1.00 0.00 N ATOM 417 CA MET A 668 2.870 -2.954 -6.010 1.00 0.00 C ATOM 418 C MET A 668 2.137 -1.633 -6.180 1.00 0.00 C ATOM 419 O MET A 668 2.434 -0.658 -5.486 1.00 0.00 O ATOM 420 CB MET A 668 2.328 -3.707 -4.797 1.00 0.00 C ATOM 421 CG MET A 668 1.180 -4.652 -5.117 1.00 0.00 C ATOM 422 SD MET A 668 1.025 -5.997 -3.919 1.00 0.00 S ATOM 423 CE MET A 668 1.518 -5.172 -2.404 1.00 0.00 C ATOM 0 H MET A 668 4.558 -2.377 -4.921 1.00 0.00 H new ATOM 0 HA MET A 668 2.711 -3.566 -6.898 1.00 0.00 H new ATOM 0 HB2 MET A 668 3.139 -4.277 -4.344 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.993 -2.984 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 668 0.248 -4.088 -5.145 1.00 0.00 H new ATOM 0 HG3 MET A 668 1.328 -5.073 -6.112 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.388 -5.851 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.565 -4.877 -2.474 1.00 0.00 H new ATOM 0 HE3 MET A 668 0.901 -4.286 -2.255 1.00 0.00 H new ATOM 433 N ASP A 669 1.205 -1.591 -7.117 1.00 0.00 N ATOM 434 CA ASP A 669 0.441 -0.379 -7.373 1.00 0.00 C ATOM 435 C ASP A 669 -0.922 -0.457 -6.698 1.00 0.00 C ATOM 436 O ASP A 669 -1.568 -1.507 -6.691 1.00 0.00 O ATOM 437 CB ASP A 669 0.318 -0.126 -8.888 1.00 0.00 C ATOM 438 CG ASP A 669 -1.061 -0.404 -9.466 1.00 0.00 C ATOM 439 OD1 ASP A 669 -1.953 0.468 -9.360 1.00 0.00 O ATOM 440 OD2 ASP A 669 -1.243 -1.478 -10.079 1.00 0.00 O ATOM 0 H ASP A 669 0.958 -2.381 -7.713 1.00 0.00 H new ATOM 0 HA ASP A 669 0.972 0.470 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.581 0.912 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 669 1.047 -0.748 -9.407 1.00 0.00 H new ATOM 445 N VAL A 670 -1.342 0.650 -6.107 1.00 0.00 N ATOM 446 CA VAL A 670 -2.600 0.700 -5.386 1.00 0.00 C ATOM 447 C VAL A 670 -3.656 1.409 -6.219 1.00 0.00 C ATOM 448 O VAL A 670 -3.747 2.639 -6.220 1.00 0.00 O ATOM 449 CB VAL A 670 -2.451 1.420 -4.027 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.588 1.038 -3.094 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.102 1.102 -3.390 1.00 0.00 C ATOM 0 H VAL A 670 -0.826 1.530 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.908 -0.328 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.497 2.495 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.467 1.555 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.539 1.324 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.575 -0.039 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.020 1.620 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.020 0.027 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.301 1.431 -4.051 1.00 0.00 H new ATOM 461 N THR A 671 -4.442 0.631 -6.939 1.00 0.00 N ATOM 462 CA THR A 671 -5.504 1.179 -7.761 1.00 0.00 C ATOM 463 C THR A 671 -6.802 1.300 -6.963 1.00 0.00 C ATOM 464 O THR A 671 -7.402 0.298 -6.577 1.00 0.00 O ATOM 465 CB THR A 671 -5.736 0.308 -9.007 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.585 -0.521 -9.239 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.003 1.175 -10.227 1.00 0.00 C ATOM 0 H THR A 671 -4.365 -0.386 -6.971 1.00 0.00 H new ATOM 0 HA THR A 671 -5.196 2.174 -8.082 1.00 0.00 H new ATOM 0 HB THR A 671 -6.609 -0.322 -8.834 1.00 0.00 H new ATOM 0 HG1 THR A 671 -3.779 0.036 -9.258 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.164 0.539 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 671 -6.890 1.784 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.146 1.825 -10.406 1.00 0.00 H new ATOM 475 N VAL A 672 -7.219 2.530 -6.706 1.00 0.00 N ATOM 476 CA VAL A 672 -8.436 2.785 -5.945 1.00 0.00 C ATOM 477 C VAL A 672 -9.639 2.857 -6.882 1.00 0.00 C ATOM 478 O VAL A 672 -9.576 3.491 -7.934 1.00 0.00 O ATOM 479 CB VAL A 672 -8.344 4.097 -5.134 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.178 3.998 -3.863 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.893 4.433 -4.802 1.00 0.00 C ATOM 0 H VAL A 672 -6.732 3.371 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.558 1.958 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.744 4.904 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.102 4.931 -3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.220 3.816 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.810 3.176 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.856 5.361 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.459 3.626 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.327 4.553 -5.726 1.00 0.00 H new ATOM 491 N ILE A 673 -10.725 2.201 -6.508 1.00 0.00 N ATOM 492 CA ILE A 673 -11.920 2.177 -7.338 1.00 0.00 C ATOM 493 C ILE A 673 -13.065 2.918 -6.658 1.00 0.00 C ATOM 494 O ILE A 673 -13.324 2.719 -5.471 1.00 0.00 O ATOM 495 CB ILE A 673 -12.361 0.728 -7.649 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.465 0.115 -8.729 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.819 0.688 -8.084 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.356 -0.750 -8.172 1.00 0.00 C ATOM 0 H ILE A 673 -10.805 1.678 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.673 2.676 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.260 0.139 -6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.078 -0.483 -9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.026 0.916 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.107 -0.341 -8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.448 1.083 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.948 1.294 -8.981 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.761 -1.151 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.719 -0.151 -7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -10.788 -1.572 -7.601 1.00 0.00 H new ATOM 510 N ASP A 674 -13.738 3.775 -7.419 1.00 0.00 N ATOM 511 CA ASP A 674 -14.902 4.500 -6.923 1.00 0.00 C ATOM 512 C ASP A 674 -16.103 3.564 -6.841 1.00 0.00 C ATOM 513 O ASP A 674 -16.545 3.012 -7.848 1.00 0.00 O ATOM 514 CB ASP A 674 -15.211 5.695 -7.831 1.00 0.00 C ATOM 515 CG ASP A 674 -16.162 6.688 -7.190 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.323 6.316 -6.924 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.756 7.849 -6.964 1.00 0.00 O ATOM 0 H ASP A 674 -13.495 3.985 -8.387 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.685 4.877 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.281 6.202 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -15.644 5.334 -8.764 1.00 0.00 H new ATOM 522 N THR A 675 -16.622 3.389 -5.638 1.00 0.00 N ATOM 523 CA THR A 675 -17.674 2.416 -5.381 1.00 0.00 C ATOM 524 C THR A 675 -19.078 3.012 -5.511 1.00 0.00 C ATOM 525 O THR A 675 -20.049 2.432 -5.022 1.00 0.00 O ATOM 526 CB THR A 675 -17.509 1.828 -3.968 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.270 2.280 -3.401 1.00 0.00 O ATOM 528 CG2 THR A 675 -17.532 0.308 -4.010 1.00 0.00 C ATOM 0 H THR A 675 -16.329 3.914 -4.814 1.00 0.00 H new ATOM 0 HA THR A 675 -17.573 1.638 -6.137 1.00 0.00 H new ATOM 0 HB THR A 675 -18.340 2.168 -3.350 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.320 2.230 -2.424 1.00 0.00 H new ATOM 0 HG21 THR A 675 -17.414 -0.086 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.483 -0.030 -4.422 1.00 0.00 H new ATOM 0 HG23 THR A 675 -16.716 -0.051 -4.637 1.00 0.00 H new ATOM 806 N TRP A 20 -21.415 -6.857 -3.071 1.00 0.00 N ATOM 807 CA TRP A 20 -20.469 -5.831 -3.510 1.00 0.00 C ATOM 808 C TRP A 20 -19.204 -6.462 -4.087 1.00 0.00 C ATOM 809 O TRP A 20 -19.246 -7.124 -5.124 1.00 0.00 O ATOM 810 CB TRP A 20 -20.111 -4.872 -2.363 1.00 0.00 C ATOM 811 CG TRP A 20 -21.242 -4.609 -1.411 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.511 -4.216 -1.724 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.196 -4.719 0.013 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.256 -4.077 -0.578 1.00 0.00 N ATOM 815 CE2 TRP A 20 -22.470 -4.380 0.501 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.199 -5.075 0.921 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -22.771 -4.383 1.857 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -20.497 -5.077 2.269 1.00 0.00 C ATOM 819 CH2 TRP A 20 -21.776 -4.735 2.727 1.00 0.00 C ATOM 0 HA TRP A 20 -20.957 -5.254 -4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.270 -5.286 -1.806 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.778 -3.924 -2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.876 -4.040 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.235 -3.794 -0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.212 -5.344 0.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -23.756 -4.117 2.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -19.732 -5.347 2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -21.980 -4.750 3.787 1.00 0.00 H new ATOM 830 N LYS A 21 -18.085 -6.262 -3.408 1.00 0.00 N ATOM 831 CA LYS A 21 -16.818 -6.816 -3.848 1.00 0.00 C ATOM 832 C LYS A 21 -16.229 -7.701 -2.754 1.00 0.00 C ATOM 833 O LYS A 21 -16.169 -7.304 -1.591 1.00 0.00 O ATOM 834 CB LYS A 21 -15.839 -5.697 -4.230 1.00 0.00 C ATOM 835 CG LYS A 21 -16.399 -4.711 -5.252 1.00 0.00 C ATOM 836 CD LYS A 21 -16.399 -5.296 -6.660 1.00 0.00 C ATOM 837 CE LYS A 21 -16.766 -4.250 -7.703 1.00 0.00 C ATOM 838 NZ LYS A 21 -16.146 -4.530 -9.030 1.00 0.00 N ATOM 0 H LYS A 21 -18.031 -5.718 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.991 -7.426 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.556 -5.151 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.929 -6.144 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.416 -4.436 -4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.806 -3.797 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.414 -5.704 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.106 -6.124 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.850 -4.214 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.447 -3.267 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.837 -3.637 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.325 -5.156 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.843 -4.992 -9.648 1.00 0.00 H new ATOM 852 N ARG A 22 -15.816 -8.903 -3.133 1.00 0.00 N ATOM 853 CA ARG A 22 -15.293 -9.872 -2.180 1.00 0.00 C ATOM 854 C ARG A 22 -13.840 -9.568 -1.834 1.00 0.00 C ATOM 855 O ARG A 22 -12.997 -9.441 -2.724 1.00 0.00 O ATOM 856 CB ARG A 22 -15.403 -11.284 -2.758 1.00 0.00 C ATOM 857 CG ARG A 22 -16.341 -12.193 -1.982 1.00 0.00 C ATOM 858 CD ARG A 22 -15.873 -12.390 -0.550 1.00 0.00 C ATOM 859 NE ARG A 22 -15.437 -13.762 -0.299 1.00 0.00 N ATOM 860 CZ ARG A 22 -16.248 -14.746 0.091 1.00 0.00 C ATOM 861 NH1 ARG A 22 -17.544 -14.515 0.267 1.00 0.00 N ATOM 862 NH2 ARG A 22 -15.762 -15.962 0.299 1.00 0.00 N ATOM 0 H ARG A 22 -15.833 -9.231 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.885 -9.806 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.747 -11.218 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.411 -11.735 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.344 -11.767 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.406 -13.160 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.052 -11.705 -0.340 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.683 -12.136 0.134 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.449 -13.981 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.923 -13.582 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.161 -15.271 0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.768 -16.144 0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.382 -16.715 0.597 1.00 0.00 H new ATOM 876 N CYS A 23 -13.558 -9.453 -0.542 1.00 0.00 N ATOM 877 CA CYS A 23 -12.209 -9.193 -0.074 1.00 0.00 C ATOM 878 C CYS A 23 -11.403 -10.485 -0.027 1.00 0.00 C ATOM 879 O CYS A 23 -11.959 -11.577 0.113 1.00 0.00 O ATOM 880 CB CYS A 23 -12.244 -8.548 1.316 1.00 0.00 C ATOM 881 SG CYS A 23 -10.603 -8.282 2.066 1.00 0.00 S ATOM 0 H CYS A 23 -14.252 -9.537 0.201 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.729 -8.506 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.757 -7.589 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.836 -9.178 1.980 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.710 -7.454 3.063 1.00 0.00 H new ATOM 886 N ALA A 24 -10.095 -10.353 -0.144 1.00 0.00 N ATOM 887 CA ALA A 24 -9.204 -11.499 -0.071 1.00 0.00 C ATOM 888 C ALA A 24 -8.477 -11.520 1.266 1.00 0.00 C ATOM 889 O ALA A 24 -7.761 -12.470 1.586 1.00 0.00 O ATOM 890 CB ALA A 24 -8.209 -11.465 -1.218 1.00 0.00 C ATOM 0 H ALA A 24 -9.623 -9.461 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.798 -12.409 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.548 -12.329 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.746 -11.491 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.619 -10.551 -1.160 1.00 0.00 H new ATOM 896 N GLY A 25 -8.688 -10.471 2.048 1.00 0.00 N ATOM 897 CA GLY A 25 -8.004 -10.328 3.312 1.00 0.00 C ATOM 898 C GLY A 25 -8.766 -10.962 4.459 1.00 0.00 C ATOM 899 O GLY A 25 -8.237 -11.835 5.151 1.00 0.00 O ATOM 0 H GLY A 25 -9.329 -9.710 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.016 -10.783 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.853 -9.269 3.522 1.00 0.00 H new ATOM 903 N CYS A 26 -10.019 -10.553 4.650 1.00 0.00 N ATOM 904 CA CYS A 26 -10.802 -11.043 5.775 1.00 0.00 C ATOM 905 C CYS A 26 -11.687 -12.206 5.349 1.00 0.00 C ATOM 906 O CYS A 26 -12.039 -13.061 6.162 1.00 0.00 O ATOM 907 CB CYS A 26 -11.641 -9.921 6.406 1.00 0.00 C ATOM 908 SG CYS A 26 -12.523 -8.845 5.225 1.00 0.00 S ATOM 0 H CYS A 26 -10.506 -9.891 4.046 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.106 -11.401 6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.372 -10.371 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.986 -9.301 7.018 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.743 -8.571 4.222 1.00 0.00 H new ATOM 913 N GLY A 27 -12.030 -12.242 4.072 1.00 0.00 N ATOM 914 CA GLY A 27 -12.862 -13.310 3.562 1.00 0.00 C ATOM 915 C GLY A 27 -14.315 -12.898 3.480 1.00 0.00 C ATOM 916 O GLY A 27 -15.182 -13.700 3.132 1.00 0.00 O ATOM 0 H GLY A 27 -11.747 -11.550 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.511 -13.604 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.768 -14.184 4.206 1.00 0.00 H new ATOM 920 N GLY A 28 -14.583 -11.649 3.819 1.00 0.00 N ATOM 921 CA GLY A 28 -15.920 -11.121 3.693 1.00 0.00 C ATOM 922 C GLY A 28 -16.026 -10.196 2.504 1.00 0.00 C ATOM 923 O GLY A 28 -15.206 -10.258 1.589 1.00 0.00 O ATOM 0 H GLY A 28 -13.894 -10.989 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.630 -11.941 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.190 -10.583 4.602 1.00 0.00 H new ATOM 927 N LYS A 29 -17.028 -9.342 2.502 1.00 0.00 N ATOM 928 CA LYS A 29 -17.173 -8.362 1.441 1.00 0.00 C ATOM 929 C LYS A 29 -16.649 -7.018 1.915 1.00 0.00 C ATOM 930 O LYS A 29 -16.667 -6.727 3.112 1.00 0.00 O ATOM 931 CB LYS A 29 -18.631 -8.240 0.994 1.00 0.00 C ATOM 932 CG LYS A 29 -19.646 -8.595 2.067 1.00 0.00 C ATOM 933 CD LYS A 29 -21.016 -8.851 1.463 1.00 0.00 C ATOM 934 CE LYS A 29 -22.123 -8.658 2.484 1.00 0.00 C ATOM 935 NZ LYS A 29 -21.835 -9.371 3.755 1.00 0.00 N ATOM 0 H LYS A 29 -17.752 -9.305 3.219 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.591 -8.694 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.813 -7.218 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.790 -8.888 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.313 -9.481 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.711 -7.784 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.175 -8.177 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -21.057 -9.867 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -22.250 -7.594 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.065 -9.019 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -22.704 -9.432 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.491 -10.330 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -21.108 -8.852 4.287 1.00 0.00 H new ATOM 949 N ILE A 30 -16.171 -6.207 0.984 1.00 0.00 N ATOM 950 CA ILE A 30 -15.618 -4.910 1.329 1.00 0.00 C ATOM 951 C ILE A 30 -16.713 -3.987 1.853 1.00 0.00 C ATOM 952 O ILE A 30 -17.564 -3.520 1.099 1.00 0.00 O ATOM 953 CB ILE A 30 -14.912 -4.264 0.115 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.645 -5.050 -0.232 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.573 -2.804 0.393 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.277 -4.997 -1.699 1.00 0.00 C ATOM 0 H ILE A 30 -16.155 -6.424 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.876 -5.060 2.114 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.593 -4.294 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.814 -4.660 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.782 -6.091 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.077 -2.374 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.489 -2.251 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.910 -2.742 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.369 -5.577 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.090 -5.415 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.106 -3.962 -1.994 1.00 0.00 H new ATOM 968 N ALA A 31 -16.677 -3.736 3.154 1.00 0.00 N ATOM 969 CA ALA A 31 -17.646 -2.860 3.797 1.00 0.00 C ATOM 970 C ALA A 31 -17.022 -1.502 4.087 1.00 0.00 C ATOM 971 O ALA A 31 -17.428 -0.793 5.010 1.00 0.00 O ATOM 972 CB ALA A 31 -18.168 -3.499 5.076 1.00 0.00 C ATOM 0 H ALA A 31 -15.982 -4.130 3.789 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.487 -2.711 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.892 -2.833 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.649 -4.448 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.338 -3.674 5.760 1.00 0.00 H new ATOM 978 N ASP A 32 -16.018 -1.152 3.299 1.00 0.00 N ATOM 979 CA ASP A 32 -15.341 0.127 3.443 1.00 0.00 C ATOM 980 C ASP A 32 -16.016 1.175 2.570 1.00 0.00 C ATOM 981 O ASP A 32 -17.105 0.945 2.043 1.00 0.00 O ATOM 982 CB ASP A 32 -13.874 -0.008 3.045 1.00 0.00 C ATOM 983 CG ASP A 32 -12.955 0.806 3.925 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.131 2.036 3.998 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.051 0.212 4.553 1.00 0.00 O ATOM 0 H ASP A 32 -15.652 -1.739 2.549 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.399 0.439 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.583 -1.057 3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.752 0.308 2.009 1.00 0.00 H new ATOM 990 N ARG A 33 -15.376 2.324 2.431 1.00 0.00 N ATOM 991 CA ARG A 33 -15.836 3.332 1.495 1.00 0.00 C ATOM 992 C ARG A 33 -15.302 3.002 0.111 1.00 0.00 C ATOM 993 O ARG A 33 -16.055 2.616 -0.781 1.00 0.00 O ATOM 994 CB ARG A 33 -15.374 4.733 1.914 1.00 0.00 C ATOM 995 CG ARG A 33 -15.844 5.830 0.973 1.00 0.00 C ATOM 996 CD ARG A 33 -16.988 6.638 1.561 1.00 0.00 C ATOM 997 NE ARG A 33 -18.102 6.765 0.618 1.00 0.00 N ATOM 998 CZ ARG A 33 -19.257 6.104 0.728 1.00 0.00 C ATOM 999 NH1 ARG A 33 -19.492 5.345 1.790 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -20.184 6.223 -0.218 1.00 0.00 N ATOM 0 H ARG A 33 -14.538 2.580 2.954 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.926 3.330 1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.742 4.944 2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -14.285 4.749 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.010 6.495 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.162 5.386 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.338 6.160 2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.629 7.630 1.836 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.988 7.399 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.790 5.265 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.375 4.841 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.013 6.819 -1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.066 5.718 -0.134 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.000 3.160 -0.057 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.348 2.863 -1.314 1.00 0.00 C ATOM 1016 C PHE A 34 -12.610 1.534 -1.244 1.00 0.00 C ATOM 1017 O PHE A 34 -12.051 1.179 -0.203 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.386 3.991 -1.680 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.009 5.004 -2.585 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.102 5.740 -2.162 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.522 5.204 -3.863 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.695 6.659 -2.996 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -13.116 6.117 -4.706 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.201 6.847 -4.272 1.00 0.00 C ATOM 0 H PHE A 34 -13.371 3.496 0.672 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.110 2.782 -2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.045 4.483 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.505 3.570 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.493 5.591 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.667 4.639 -4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.544 7.232 -2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.732 6.260 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.665 7.567 -4.930 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.619 0.795 -2.340 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.854 -0.436 -2.421 1.00 0.00 C ATOM 1036 C LEU A 35 -10.564 -0.194 -3.186 1.00 0.00 C ATOM 1037 O LEU A 35 -10.508 0.663 -4.071 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.671 -1.551 -3.074 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.021 -1.347 -4.549 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -12.210 -2.287 -5.424 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.505 -1.574 -4.768 1.00 0.00 C ATOM 0 H LEU A 35 -13.146 1.025 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.608 -0.758 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.117 -2.485 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.598 -1.671 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.776 -0.322 -4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.472 -2.128 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.147 -2.090 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.428 -3.319 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.744 -1.426 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.764 -2.592 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.074 -0.867 -4.164 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.531 -0.946 -2.844 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.216 -0.743 -3.427 1.00 0.00 C ATOM 1055 C LEU A 36 -7.698 -2.028 -4.064 1.00 0.00 C ATOM 1056 O LEU A 36 -8.209 -3.117 -3.794 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.231 -0.247 -2.362 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.737 0.907 -1.494 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.904 0.460 -0.051 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.791 2.097 -1.582 1.00 0.00 C ATOM 0 H LEU A 36 -9.578 -1.704 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.304 0.014 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.972 -1.083 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.313 0.068 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.712 1.216 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.265 1.295 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.623 -0.358 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.944 0.121 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.167 2.908 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.801 1.801 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.727 2.435 -2.616 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.696 -1.885 -4.916 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.065 -3.017 -5.576 1.00 0.00 C ATOM 1074 C TYR A 37 -4.642 -3.194 -5.068 1.00 0.00 C ATOM 1075 O TYR A 37 -3.988 -2.226 -4.687 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.034 -2.797 -7.091 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.029 -3.633 -7.868 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.085 -5.012 -7.714 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.913 -3.040 -8.757 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.992 -5.774 -8.424 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.824 -3.794 -9.471 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.859 -5.162 -9.301 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.760 -5.921 -10.012 1.00 0.00 O ATOM 0 H TYR A 37 -6.297 -0.981 -5.170 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.645 -3.912 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.225 -1.744 -7.296 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.031 -3.016 -7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.407 -5.497 -7.027 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.889 -1.969 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.021 -6.845 -8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.505 -3.315 -10.159 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.596 -5.996 -9.506 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.178 -4.434 -5.057 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.797 -4.737 -4.701 1.00 0.00 C ATOM 1095 C ALA A 38 -2.286 -5.879 -5.566 1.00 0.00 C ATOM 1096 O ALA A 38 -1.914 -5.666 -6.716 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.676 -5.068 -3.218 1.00 0.00 C ATOM 0 H ALA A 38 -4.740 -5.252 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.181 -3.857 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.636 -5.290 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.011 -4.216 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.295 -5.935 -2.987 1.00 0.00 H new ATOM 1103 N MET A 39 -2.302 -7.098 -5.036 1.00 0.00 N ATOM 1104 CA MET A 39 -1.931 -8.269 -5.828 1.00 0.00 C ATOM 1105 C MET A 39 -3.134 -8.760 -6.633 1.00 0.00 C ATOM 1106 O MET A 39 -3.518 -9.929 -6.566 1.00 0.00 O ATOM 1107 CB MET A 39 -1.366 -9.394 -4.946 1.00 0.00 C ATOM 1108 CG MET A 39 -2.145 -9.645 -3.664 1.00 0.00 C ATOM 1109 SD MET A 39 -1.095 -10.230 -2.319 1.00 0.00 S ATOM 1110 CE MET A 39 -0.423 -8.684 -1.714 1.00 0.00 C ATOM 0 H MET A 39 -2.565 -7.301 -4.072 1.00 0.00 H new ATOM 0 HA MET A 39 -1.141 -7.974 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.341 -10.316 -5.527 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.335 -9.152 -4.688 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.641 -8.724 -3.358 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.927 -10.380 -3.856 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.038 -8.825 -0.704 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.385 -8.358 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.207 -7.927 -1.701 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.728 -7.828 -7.378 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.878 -8.086 -8.250 1.00 0.00 C ATOM 1122 C ASP A 40 -6.053 -8.729 -7.513 1.00 0.00 C ATOM 1123 O ASP A 40 -6.838 -9.468 -8.102 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.471 -8.939 -9.451 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.927 -8.324 -10.757 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.441 -7.222 -11.102 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.775 -8.929 -11.442 1.00 0.00 O ATOM 0 H ASP A 40 -3.420 -6.856 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.220 -7.113 -8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.387 -9.056 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.898 -9.937 -9.350 1.00 0.00 H new ATOM 1132 N SER A 41 -6.158 -8.463 -6.223 1.00 0.00 N ATOM 1133 CA SER A 41 -7.326 -8.863 -5.456 1.00 0.00 C ATOM 1134 C SER A 41 -8.086 -7.618 -5.007 1.00 0.00 C ATOM 1135 O SER A 41 -7.585 -6.505 -5.154 1.00 0.00 O ATOM 1136 CB SER A 41 -6.894 -9.696 -4.250 1.00 0.00 C ATOM 1137 OG SER A 41 -5.534 -10.091 -4.368 1.00 0.00 O ATOM 0 H SER A 41 -5.447 -7.970 -5.683 1.00 0.00 H new ATOM 0 HA SER A 41 -7.983 -9.472 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.031 -9.118 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.528 -10.579 -4.167 1.00 0.00 H new ATOM 0 HG SER A 41 -5.278 -10.622 -3.585 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.290 -7.797 -4.483 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.067 -6.676 -3.969 1.00 0.00 C ATOM 1145 C TYR A 42 -9.719 -6.430 -2.503 1.00 0.00 C ATOM 1146 O TYR A 42 -9.677 -7.372 -1.707 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.564 -6.964 -4.090 1.00 0.00 C ATOM 1148 CG TYR A 42 -12.147 -6.767 -5.470 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.708 -5.747 -6.306 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -13.165 -7.595 -5.925 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.266 -5.562 -7.557 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -13.731 -7.414 -7.171 1.00 0.00 C ATOM 1153 CZ TYR A 42 -13.279 -6.398 -7.982 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.854 -6.210 -9.219 1.00 0.00 O ATOM 0 H TYR A 42 -9.750 -8.704 -4.402 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.825 -5.791 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.746 -7.993 -3.779 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.099 -6.321 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.919 -5.089 -5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.520 -8.395 -5.292 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.912 -4.768 -8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.524 -8.066 -7.507 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.550 -6.885 -9.362 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.458 -5.177 -2.147 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.091 -4.841 -0.777 1.00 0.00 C ATOM 1166 C TRP A 43 -9.845 -3.615 -0.279 1.00 0.00 C ATOM 1167 O TRP A 43 -10.438 -2.873 -1.056 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.587 -4.568 -0.659 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.722 -5.569 -1.363 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.352 -5.548 -2.672 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.105 -6.724 -0.791 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.562 -6.633 -2.956 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.391 -7.367 -1.817 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.088 -7.278 0.491 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.672 -8.535 -1.606 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.374 -8.443 0.700 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.673 -9.059 -0.347 1.00 0.00 C ATOM 0 H TRP A 43 -9.493 -4.381 -2.784 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.359 -5.702 -0.164 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.377 -3.577 -1.061 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.315 -4.548 0.396 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.638 -4.788 -3.384 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.167 -6.855 -3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.622 -6.806 1.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.131 -9.012 -2.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.356 -8.886 1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.122 -9.967 -0.152 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.799 -3.425 1.028 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.325 -2.233 1.684 1.00 0.00 C ATOM 1190 C HIS A 44 -9.319 -1.817 2.750 1.00 0.00 C ATOM 1191 O HIS A 44 -8.431 -2.602 3.073 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.713 -2.480 2.312 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.795 -3.699 3.180 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.407 -3.747 4.426 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.278 -4.925 2.972 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.230 -4.991 4.915 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.552 -5.717 4.061 1.00 0.00 N ATOM 0 H HIS A 44 -9.391 -4.100 1.674 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.461 -1.442 0.946 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.990 -1.608 2.905 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.449 -2.569 1.513 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.900 -2.982 4.886 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.736 -5.236 2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.594 -5.338 5.871 1.00 0.00 H new ATOM 1205 N SER A 45 -9.469 -0.624 3.305 1.00 0.00 N ATOM 1206 CA SER A 45 -8.472 -0.055 4.219 1.00 0.00 C ATOM 1207 C SER A 45 -8.119 -0.990 5.389 1.00 0.00 C ATOM 1208 O SER A 45 -6.993 -0.964 5.891 1.00 0.00 O ATOM 1209 CB SER A 45 -8.974 1.290 4.747 1.00 0.00 C ATOM 1210 OG SER A 45 -9.908 1.867 3.846 1.00 0.00 O ATOM 0 H SER A 45 -10.276 -0.022 3.141 1.00 0.00 H new ATOM 0 HA SER A 45 -7.553 0.082 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.440 1.152 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.132 1.968 4.889 1.00 0.00 H new ATOM 0 HG SER A 45 -10.219 2.726 4.202 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.066 -1.822 5.810 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.846 -2.711 6.947 1.00 0.00 C ATOM 1218 C ARG A 46 -7.851 -3.830 6.618 1.00 0.00 C ATOM 1219 O ARG A 46 -6.991 -4.153 7.436 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.170 -3.310 7.426 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.606 -2.808 8.796 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.513 -3.005 9.841 1.00 0.00 C ATOM 1223 NE ARG A 46 -9.006 -1.730 10.352 1.00 0.00 N ATOM 1224 CZ ARG A 46 -8.376 -1.588 11.518 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -8.190 -2.632 12.318 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -7.938 -0.393 11.881 1.00 0.00 N ATOM 0 H ARG A 46 -9.989 -1.900 5.384 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.415 -2.109 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.948 -3.078 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.077 -4.396 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.862 -1.750 8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.507 -3.336 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.905 -3.597 10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.692 -3.573 9.404 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.144 -0.897 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.531 -3.553 12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.707 -2.513 13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.084 0.411 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.455 -0.276 12.772 1.00 0.00 H new ATOM 1240 N CYS A 47 -7.959 -4.410 5.427 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.073 -5.505 5.044 1.00 0.00 C ATOM 1242 C CYS A 47 -5.917 -5.013 4.182 1.00 0.00 C ATOM 1243 O CYS A 47 -4.816 -5.568 4.234 1.00 0.00 O ATOM 1244 CB CYS A 47 -7.847 -6.588 4.303 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.016 -7.512 5.347 1.00 0.00 S ATOM 0 H CYS A 47 -8.642 -4.145 4.718 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.659 -5.925 5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.396 -6.129 3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.138 -7.289 3.862 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.223 -7.080 5.133 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.163 -3.972 3.398 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.126 -3.385 2.562 1.00 0.00 C ATOM 1252 C LEU A 48 -4.194 -2.536 3.411 1.00 0.00 C ATOM 1253 O LEU A 48 -4.209 -1.307 3.352 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.741 -2.544 1.440 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.935 -2.488 0.136 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.226 -1.153 0.014 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.931 -3.633 0.055 1.00 0.00 C ATOM 0 H LEU A 48 -7.073 -3.517 3.324 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.553 -4.191 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.732 -2.938 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.877 -1.526 1.806 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.632 -2.596 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.658 -1.126 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.962 -0.349 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.548 -1.023 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.376 -3.565 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.238 -3.569 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.461 -4.585 0.094 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.426 -3.215 4.237 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.443 -2.583 5.088 1.00 0.00 C ATOM 1271 C LYS A 49 -1.243 -3.495 5.231 1.00 0.00 C ATOM 1272 O LYS A 49 -1.317 -4.686 4.915 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.026 -2.297 6.477 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.035 -3.334 6.944 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.391 -4.395 7.819 1.00 0.00 C ATOM 1276 CE LYS A 49 -3.889 -5.787 7.465 1.00 0.00 C ATOM 1277 NZ LYS A 49 -3.186 -6.349 6.281 1.00 0.00 N ATOM 0 H LYS A 49 -3.468 -4.229 4.337 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.147 -1.638 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.211 -2.245 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.504 -1.318 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.833 -2.840 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.496 -3.808 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.308 -4.355 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.608 -4.185 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.747 -6.450 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.960 -5.748 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.851 -6.423 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.398 -5.724 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.817 -7.293 6.512 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.164 -2.935 5.724 1.00 0.00 N ATOM 1292 CA CYS A 50 1.028 -3.690 6.029 1.00 0.00 C ATOM 1293 C CYS A 50 0.717 -4.749 7.079 1.00 0.00 C ATOM 1294 O CYS A 50 0.039 -4.471 8.068 1.00 0.00 O ATOM 1295 CB CYS A 50 2.078 -2.724 6.544 1.00 0.00 C ATOM 1296 SG CYS A 50 3.695 -3.445 6.947 1.00 0.00 S ATOM 0 H CYS A 50 -0.088 -1.938 5.926 1.00 0.00 H new ATOM 0 HA CYS A 50 1.396 -4.197 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.226 -1.946 5.795 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.687 -2.236 7.437 1.00 0.00 H new ATOM 0 HG CYS A 50 4.616 -2.535 6.833 1.00 0.00 H new ATOM 1301 N SER A 51 1.187 -5.959 6.856 1.00 0.00 N ATOM 1302 CA SER A 51 0.973 -7.036 7.809 1.00 0.00 C ATOM 1303 C SER A 51 1.964 -6.940 8.969 1.00 0.00 C ATOM 1304 O SER A 51 1.842 -7.653 9.964 1.00 0.00 O ATOM 1305 CB SER A 51 1.105 -8.391 7.108 1.00 0.00 C ATOM 1306 OG SER A 51 0.674 -8.309 5.754 1.00 0.00 O ATOM 0 H SER A 51 1.719 -6.224 6.027 1.00 0.00 H new ATOM 0 HA SER A 51 -0.035 -6.943 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.142 -8.723 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.513 -9.138 7.637 1.00 0.00 H new ATOM 0 HG SER A 51 1.320 -7.784 5.236 1.00 0.00 H new ATOM 1312 N SER A 52 2.939 -6.049 8.839 1.00 0.00 N ATOM 1313 CA SER A 52 3.998 -5.936 9.829 1.00 0.00 C ATOM 1314 C SER A 52 3.728 -4.814 10.837 1.00 0.00 C ATOM 1315 O SER A 52 3.875 -5.021 12.043 1.00 0.00 O ATOM 1316 CB SER A 52 5.341 -5.734 9.129 1.00 0.00 C ATOM 1317 OG SER A 52 5.190 -5.769 7.719 1.00 0.00 O ATOM 0 H SER A 52 3.017 -5.396 8.059 1.00 0.00 H new ATOM 0 HA SER A 52 4.028 -6.866 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.771 -4.778 9.429 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.039 -6.510 9.443 1.00 0.00 H new ATOM 0 HG SER A 52 4.977 -4.871 7.390 1.00 0.00 H new ATOM 1323 N CYS A 53 3.325 -3.633 10.365 1.00 0.00 N ATOM 1324 CA CYS A 53 3.034 -2.535 11.284 1.00 0.00 C ATOM 1325 C CYS A 53 1.532 -2.248 11.340 1.00 0.00 C ATOM 1326 O CYS A 53 1.062 -1.542 12.236 1.00 0.00 O ATOM 1327 CB CYS A 53 3.834 -1.270 10.929 1.00 0.00 C ATOM 1328 SG CYS A 53 3.525 -0.571 9.275 1.00 0.00 S ATOM 0 H CYS A 53 3.195 -3.416 9.377 1.00 0.00 H new ATOM 0 HA CYS A 53 3.351 -2.847 12.279 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.614 -0.504 11.673 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.896 -1.500 11.012 1.00 0.00 H new ATOM 0 HG CYS A 53 3.610 -1.513 8.383 1.00 0.00 H new ATOM 1333 N GLN A 54 0.797 -2.813 10.380 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.663 -2.739 10.346 1.00 0.00 C ATOM 1335 C GLN A 54 -1.163 -1.328 10.060 1.00 0.00 C ATOM 1336 O GLN A 54 -2.306 -0.997 10.375 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.265 -3.262 11.651 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.024 -4.568 11.481 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.532 -4.381 11.511 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.271 -5.278 11.913 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.000 -3.218 11.078 1.00 0.00 N ATOM 0 H GLN A 54 1.200 -3.336 9.602 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.993 -3.375 9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.467 -3.406 12.379 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.938 -2.509 12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.738 -5.028 10.535 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.732 -5.258 12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.355 -2.498 10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.005 -3.043 11.071 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.315 -0.509 9.455 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.715 0.829 9.049 1.00 0.00 C ATOM 1352 C ALA A 55 -1.624 0.750 7.831 1.00 0.00 C ATOM 1353 O ALA A 55 -1.282 0.099 6.843 1.00 0.00 O ATOM 1354 CB ALA A 55 0.507 1.688 8.755 1.00 0.00 C ATOM 0 H ALA A 55 0.652 -0.747 9.235 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.265 1.296 9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.187 2.685 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.124 1.761 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.086 1.234 7.951 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.783 1.391 7.919 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.772 1.378 6.852 1.00 0.00 C ATOM 1362 C GLN A 56 -3.203 1.959 5.560 1.00 0.00 C ATOM 1363 O GLN A 56 -3.191 3.176 5.366 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.999 2.176 7.290 1.00 0.00 C ATOM 1365 CG GLN A 56 -6.112 1.322 7.877 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.621 0.277 8.864 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.113 0.602 9.935 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -5.774 -0.989 8.506 1.00 0.00 N ATOM 0 H GLN A 56 -3.063 1.935 8.735 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.055 0.344 6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.694 2.916 8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.389 2.724 6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.832 1.971 8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.642 0.823 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.201 -1.217 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.465 -1.736 9.128 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.764 1.081 4.668 1.00 0.00 N ATOM 1378 CA LEU A 57 -2.132 1.493 3.420 1.00 0.00 C ATOM 1379 C LEU A 57 -3.121 2.240 2.534 1.00 0.00 C ATOM 1380 O LEU A 57 -2.732 3.050 1.691 1.00 0.00 O ATOM 1381 CB LEU A 57 -1.609 0.260 2.678 1.00 0.00 C ATOM 1382 CG LEU A 57 -0.102 -0.006 2.775 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.466 0.435 4.115 1.00 0.00 C ATOM 1384 CD2 LEU A 57 0.185 -1.478 2.539 1.00 0.00 C ATOM 0 H LEU A 57 -2.835 0.070 4.787 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.303 2.161 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.136 -0.616 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.871 0.358 1.625 1.00 0.00 H new ATOM 0 HG LEU A 57 0.389 0.585 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.536 0.229 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.299 1.504 4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.029 -0.111 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.258 -1.655 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.332 -2.075 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.165 -1.762 1.547 1.00 0.00 H new ATOM 1396 N GLY A 58 -4.404 1.986 2.761 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.443 2.618 1.974 1.00 0.00 C ATOM 1398 C GLY A 58 -5.620 4.085 2.314 1.00 0.00 C ATOM 1399 O GLY A 58 -6.003 4.885 1.462 1.00 0.00 O ATOM 0 H GLY A 58 -4.744 1.349 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.202 2.521 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.385 2.095 2.136 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.311 4.451 3.554 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.503 5.826 4.010 1.00 0.00 C ATOM 1405 C ASP A 59 -4.242 6.647 3.803 1.00 0.00 C ATOM 1406 O ASP A 59 -4.150 7.800 4.223 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.911 5.858 5.482 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.654 7.127 5.844 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.725 7.384 5.253 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -6.175 7.873 6.726 1.00 0.00 O ATOM 0 H ASP A 59 -4.929 3.820 4.258 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.305 6.264 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.541 4.996 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.021 5.770 6.106 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.276 6.041 3.149 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.012 6.697 2.872 1.00 0.00 C ATOM 1417 C ILE A 60 -1.773 6.762 1.378 1.00 0.00 C ATOM 1418 O ILE A 60 -1.570 7.833 0.806 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.830 5.969 3.542 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.121 5.704 5.019 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.443 6.783 3.387 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.260 4.617 5.623 1.00 0.00 C ATOM 0 H ILE A 60 -3.341 5.086 2.795 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.073 7.704 3.284 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.693 5.007 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.973 6.626 5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.170 5.428 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.271 6.258 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.662 6.918 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.311 7.757 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.523 4.485 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.425 3.682 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.790 4.899 5.545 1.00 0.00 H new ATOM 1434 N GLY A 61 -1.829 5.605 0.759 1.00 0.00 N ATOM 1435 CA GLY A 61 -1.550 5.501 -0.659 1.00 0.00 C ATOM 1436 C GLY A 61 -0.103 5.141 -0.906 1.00 0.00 C ATOM 1437 O GLY A 61 0.447 5.417 -1.971 1.00 0.00 O ATOM 0 H GLY A 61 -2.065 4.722 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.197 4.746 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.781 6.447 -1.148 1.00 0.00 H new ATOM 1441 N THR A 62 0.508 4.531 0.097 1.00 0.00 N ATOM 1442 CA THR A 62 1.903 4.144 0.036 1.00 0.00 C ATOM 1443 C THR A 62 2.112 2.973 -0.917 1.00 0.00 C ATOM 1444 O THR A 62 1.436 1.947 -0.808 1.00 0.00 O ATOM 1445 CB THR A 62 2.407 3.745 1.433 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.315 3.774 2.366 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.506 4.682 1.909 1.00 0.00 C ATOM 0 H THR A 62 0.048 4.291 0.975 1.00 0.00 H new ATOM 0 HA THR A 62 2.465 5.003 -0.331 1.00 0.00 H new ATOM 0 HB THR A 62 2.818 2.737 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.638 3.518 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.842 4.375 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.344 4.643 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.121 5.700 1.956 1.00 0.00 H new ATOM 1455 N SER A 63 3.037 3.140 -1.854 1.00 0.00 N ATOM 1456 CA SER A 63 3.414 2.074 -2.763 1.00 0.00 C ATOM 1457 C SER A 63 4.008 0.906 -1.979 1.00 0.00 C ATOM 1458 O SER A 63 5.188 0.914 -1.618 1.00 0.00 O ATOM 1459 CB SER A 63 4.419 2.609 -3.781 1.00 0.00 C ATOM 1460 OG SER A 63 4.552 4.020 -3.654 1.00 0.00 O ATOM 0 H SER A 63 3.542 4.014 -2.002 1.00 0.00 H new ATOM 0 HA SER A 63 2.532 1.715 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.387 2.131 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.093 2.358 -4.790 1.00 0.00 H new ATOM 0 HG SER A 63 5.200 4.348 -4.312 1.00 0.00 H new ATOM 1466 N SER A 64 3.170 -0.078 -1.694 1.00 0.00 N ATOM 1467 CA SER A 64 3.565 -1.214 -0.885 1.00 0.00 C ATOM 1468 C SER A 64 4.403 -2.190 -1.698 1.00 0.00 C ATOM 1469 O SER A 64 4.451 -2.110 -2.928 1.00 0.00 O ATOM 1470 CB SER A 64 2.318 -1.899 -0.336 1.00 0.00 C ATOM 1471 OG SER A 64 1.145 -1.212 -0.749 1.00 0.00 O ATOM 0 H SER A 64 2.203 -0.110 -2.016 1.00 0.00 H new ATOM 0 HA SER A 64 4.178 -0.866 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.282 -2.932 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.363 -1.930 0.753 1.00 0.00 H new ATOM 0 HG SER A 64 0.372 -1.810 -0.675 1.00 0.00 H new ATOM 1477 N TYR A 65 5.068 -3.102 -1.014 1.00 0.00 N ATOM 1478 CA TYR A 65 5.919 -4.068 -1.678 1.00 0.00 C ATOM 1479 C TYR A 65 5.482 -5.478 -1.327 1.00 0.00 C ATOM 1480 O TYR A 65 4.878 -5.704 -0.276 1.00 0.00 O ATOM 1481 CB TYR A 65 7.382 -3.848 -1.288 1.00 0.00 C ATOM 1482 CG TYR A 65 7.986 -2.601 -1.890 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.564 -2.625 -3.151 1.00 0.00 C ATOM 1484 CD2 TYR A 65 7.978 -1.402 -1.195 1.00 0.00 C ATOM 1485 CE1 TYR A 65 9.119 -1.486 -3.703 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.528 -0.257 -1.739 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.098 -0.304 -2.994 1.00 0.00 C ATOM 1488 OH TYR A 65 9.648 0.837 -3.541 1.00 0.00 O ATOM 0 H TYR A 65 5.034 -3.193 0.001 1.00 0.00 H new ATOM 0 HA TYR A 65 5.827 -3.933 -2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.455 -3.790 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.967 -4.713 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.581 -3.549 -3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.534 -1.362 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.567 -1.522 -4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.512 0.670 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 65 9.549 1.582 -2.912 1.00 0.00 H new ATOM 1498 N THR A 66 5.768 -6.414 -2.213 1.00 0.00 N ATOM 1499 CA THR A 66 5.426 -7.804 -1.988 1.00 0.00 C ATOM 1500 C THR A 66 6.593 -8.697 -2.384 1.00 0.00 C ATOM 1501 O THR A 66 7.498 -8.268 -3.096 1.00 0.00 O ATOM 1502 CB THR A 66 4.158 -8.208 -2.773 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.727 -9.524 -2.388 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.401 -8.172 -4.277 1.00 0.00 C ATOM 0 H THR A 66 6.239 -6.234 -3.100 1.00 0.00 H new ATOM 0 HA THR A 66 5.217 -7.932 -0.926 1.00 0.00 H new ATOM 0 HB THR A 66 3.378 -7.486 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.922 -9.765 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.489 -8.461 -4.800 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.686 -7.163 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.202 -8.866 -4.533 1.00 0.00 H new ATOM 1512 N LYS A 67 6.566 -9.929 -1.912 1.00 0.00 N ATOM 1513 CA LYS A 67 7.616 -10.888 -2.198 1.00 0.00 C ATOM 1514 C LYS A 67 7.103 -12.295 -1.946 1.00 0.00 C ATOM 1515 O LYS A 67 6.724 -13.004 -2.872 1.00 0.00 O ATOM 1516 CB LYS A 67 8.846 -10.603 -1.331 1.00 0.00 C ATOM 1517 CG LYS A 67 10.147 -11.104 -1.935 1.00 0.00 C ATOM 1518 CD LYS A 67 11.319 -10.878 -0.993 1.00 0.00 C ATOM 1519 CE LYS A 67 12.586 -11.544 -1.502 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.484 -10.581 -2.194 1.00 0.00 N ATOM 0 H LYS A 67 5.818 -10.292 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 67 7.907 -10.799 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.922 -9.528 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.707 -11.066 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.060 -12.167 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.333 -10.592 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.492 -9.808 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.073 -11.270 -0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.117 -11.998 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.322 -12.350 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.449 -10.966 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.144 -10.424 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.488 -9.678 -1.678 1.00 0.00 H new ATOM 1534 N SER A 68 7.058 -12.677 -0.680 1.00 0.00 N ATOM 1535 CA SER A 68 6.566 -13.987 -0.288 1.00 0.00 C ATOM 1536 C SER A 68 5.042 -13.980 -0.126 1.00 0.00 C ATOM 1537 O SER A 68 4.492 -14.679 0.725 1.00 0.00 O ATOM 1538 CB SER A 68 7.242 -14.396 1.018 1.00 0.00 C ATOM 1539 OG SER A 68 8.303 -13.507 1.323 1.00 0.00 O ATOM 0 H SER A 68 7.359 -12.092 0.100 1.00 0.00 H new ATOM 0 HA SER A 68 6.807 -14.708 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.513 -14.395 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.624 -15.414 0.934 1.00 0.00 H new ATOM 0 HG SER A 68 8.331 -13.350 2.290 1.00 0.00 H new ATOM 1545 N GLY A 69 4.370 -13.181 -0.949 1.00 0.00 N ATOM 1546 CA GLY A 69 2.920 -13.094 -0.900 1.00 0.00 C ATOM 1547 C GLY A 69 2.412 -12.303 0.290 1.00 0.00 C ATOM 1548 O GLY A 69 1.239 -12.393 0.647 1.00 0.00 O ATOM 0 H GLY A 69 4.807 -12.588 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.558 -12.631 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.502 -14.100 -0.865 1.00 0.00 H new ATOM 1552 N MET A 70 3.292 -11.522 0.902 1.00 0.00 N ATOM 1553 CA MET A 70 2.929 -10.740 2.076 1.00 0.00 C ATOM 1554 C MET A 70 2.886 -9.258 1.733 1.00 0.00 C ATOM 1555 O MET A 70 3.773 -8.750 1.046 1.00 0.00 O ATOM 1556 CB MET A 70 3.921 -10.977 3.223 1.00 0.00 C ATOM 1557 CG MET A 70 4.595 -12.341 3.192 1.00 0.00 C ATOM 1558 SD MET A 70 3.875 -13.497 4.375 1.00 0.00 S ATOM 1559 CE MET A 70 5.315 -13.914 5.356 1.00 0.00 C ATOM 0 H MET A 70 4.262 -11.413 0.605 1.00 0.00 H new ATOM 0 HA MET A 70 1.940 -11.062 2.400 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.689 -10.204 3.190 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.396 -10.865 4.172 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.517 -12.758 2.188 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.657 -12.222 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.032 -14.623 6.134 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.075 -14.362 4.715 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.715 -13.011 5.817 1.00 0.00 H new ATOM 1569 N ILE A 71 1.849 -8.576 2.202 1.00 0.00 N ATOM 1570 CA ILE A 71 1.716 -7.140 1.987 1.00 0.00 C ATOM 1571 C ILE A 71 2.502 -6.381 3.045 1.00 0.00 C ATOM 1572 O ILE A 71 2.190 -6.463 4.238 1.00 0.00 O ATOM 1573 CB ILE A 71 0.245 -6.664 2.035 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.718 -7.847 1.923 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.021 -5.656 0.929 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.353 -8.223 3.242 1.00 0.00 C ATOM 0 H ILE A 71 1.086 -8.994 2.735 1.00 0.00 H new ATOM 0 HA ILE A 71 2.107 -6.937 0.990 1.00 0.00 H new ATOM 0 HB ILE A 71 0.076 -6.181 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.502 -7.603 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.181 -8.709 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.060 -5.330 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.635 -4.795 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.171 -6.119 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.025 -9.068 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.576 -8.497 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.917 -7.375 3.629 1.00 0.00 H new ATOM 1588 N LEU A 72 3.527 -5.663 2.614 1.00 0.00 N ATOM 1589 CA LEU A 72 4.378 -4.926 3.533 1.00 0.00 C ATOM 1590 C LEU A 72 4.579 -3.497 3.053 1.00 0.00 C ATOM 1591 O LEU A 72 4.574 -3.234 1.846 1.00 0.00 O ATOM 1592 CB LEU A 72 5.731 -5.631 3.662 1.00 0.00 C ATOM 1593 CG LEU A 72 5.877 -6.547 4.879 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.257 -7.909 4.620 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.339 -6.706 5.252 1.00 0.00 C ATOM 0 H LEU A 72 3.790 -5.575 1.632 1.00 0.00 H new ATOM 0 HA LEU A 72 3.892 -4.894 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.902 -6.221 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.514 -4.874 3.701 1.00 0.00 H new ATOM 0 HG LEU A 72 5.346 -6.082 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.377 -8.537 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.196 -7.790 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.753 -8.379 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.424 -7.361 6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.883 -7.142 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.762 -5.730 5.491 1.00 0.00 H new ATOM 1607 N CYS A 73 4.745 -2.574 3.993 1.00 0.00 N ATOM 1608 CA CYS A 73 4.974 -1.183 3.644 1.00 0.00 C ATOM 1609 C CYS A 73 6.399 -0.979 3.129 1.00 0.00 C ATOM 1610 O CYS A 73 7.227 -1.894 3.175 1.00 0.00 O ATOM 1611 CB CYS A 73 4.686 -0.255 4.838 1.00 0.00 C ATOM 1612 SG CYS A 73 5.842 -0.406 6.244 1.00 0.00 S ATOM 0 H CYS A 73 4.725 -2.764 4.995 1.00 0.00 H new ATOM 0 HA CYS A 73 4.282 -0.922 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.701 0.777 4.486 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.676 -0.455 5.197 1.00 0.00 H new ATOM 0 HG CYS A 73 5.169 -0.471 7.354 1.00 0.00 H new ATOM 1617 N ARG A 74 6.672 0.231 2.654 1.00 0.00 N ATOM 1618 CA ARG A 74 7.962 0.567 2.063 1.00 0.00 C ATOM 1619 C ARG A 74 9.103 0.319 3.048 1.00 0.00 C ATOM 1620 O ARG A 74 10.116 -0.286 2.702 1.00 0.00 O ATOM 1621 CB ARG A 74 7.960 2.033 1.629 1.00 0.00 C ATOM 1622 CG ARG A 74 9.016 2.374 0.588 1.00 0.00 C ATOM 1623 CD ARG A 74 9.702 3.692 0.906 1.00 0.00 C ATOM 1624 NE ARG A 74 8.877 4.847 0.548 1.00 0.00 N ATOM 1625 CZ ARG A 74 9.343 5.938 -0.063 1.00 0.00 C ATOM 1626 NH1 ARG A 74 10.622 6.020 -0.412 1.00 0.00 N ATOM 1627 NH2 ARG A 74 8.519 6.939 -0.336 1.00 0.00 N ATOM 0 H ARG A 74 6.007 1.005 2.668 1.00 0.00 H new ATOM 0 HA ARG A 74 8.119 -0.074 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.977 2.281 1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.114 2.661 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.758 1.577 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.553 2.431 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.935 3.730 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.650 3.745 0.370 1.00 0.00 H new ATOM 0 HE ARG A 74 7.884 4.816 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.256 5.246 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.971 6.857 -0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.534 6.873 -0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.870 7.775 -0.803 1.00 0.00 H new ATOM 1641 N ASN A 75 8.918 0.774 4.277 1.00 0.00 N ATOM 1642 CA ASN A 75 9.944 0.658 5.306 1.00 0.00 C ATOM 1643 C ASN A 75 10.075 -0.785 5.786 1.00 0.00 C ATOM 1644 O ASN A 75 11.181 -1.314 5.903 1.00 0.00 O ATOM 1645 CB ASN A 75 9.601 1.572 6.491 1.00 0.00 C ATOM 1646 CG ASN A 75 10.770 1.798 7.430 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.165 0.908 8.183 1.00 0.00 O ATOM 1648 ND2 ASN A 75 11.320 3.004 7.412 1.00 0.00 N ATOM 0 H ASN A 75 8.061 1.231 4.590 1.00 0.00 H new ATOM 0 HA ASN A 75 10.897 0.964 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.257 2.534 6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.773 1.136 7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.097 3.219 8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.966 3.717 6.774 1.00 0.00 H new ATOM 1655 N ASP A 76 8.938 -1.424 6.027 1.00 0.00 N ATOM 1656 CA ASP A 76 8.916 -2.753 6.633 1.00 0.00 C ATOM 1657 C ASP A 76 9.487 -3.807 5.704 1.00 0.00 C ATOM 1658 O ASP A 76 10.164 -4.734 6.152 1.00 0.00 O ATOM 1659 CB ASP A 76 7.496 -3.145 7.018 1.00 0.00 C ATOM 1660 CG ASP A 76 7.277 -3.107 8.510 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.118 -3.664 9.260 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.267 -2.525 8.947 1.00 0.00 O ATOM 0 H ASP A 76 8.016 -1.044 5.812 1.00 0.00 H new ATOM 0 HA ASP A 76 9.540 -2.704 7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.791 -2.471 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.285 -4.148 6.647 1.00 0.00 H new ATOM 1667 N TYR A 77 9.209 -3.678 4.413 1.00 0.00 N ATOM 1668 CA TYR A 77 9.679 -4.656 3.445 1.00 0.00 C ATOM 1669 C TYR A 77 11.201 -4.736 3.454 1.00 0.00 C ATOM 1670 O TYR A 77 11.771 -5.827 3.441 1.00 0.00 O ATOM 1671 CB TYR A 77 9.187 -4.335 2.032 1.00 0.00 C ATOM 1672 CG TYR A 77 9.814 -5.231 0.989 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.676 -6.612 1.068 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.563 -4.704 -0.055 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.268 -7.438 0.136 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.153 -5.526 -0.993 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.004 -6.893 -0.891 1.00 0.00 C ATOM 1678 OH TYR A 77 11.603 -7.718 -1.811 1.00 0.00 O ATOM 0 H TYR A 77 8.665 -2.912 4.016 1.00 0.00 H new ATOM 0 HA TYR A 77 9.267 -5.622 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.103 -4.441 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.414 -3.295 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.097 -7.044 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.686 -3.634 -0.134 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.154 -8.509 0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.728 -5.101 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 77 12.566 -7.758 -1.636 1.00 0.00 H new ATOM 1688 N ILE A 78 11.848 -3.578 3.490 1.00 0.00 N ATOM 1689 CA ILE A 78 13.304 -3.521 3.492 1.00 0.00 C ATOM 1690 C ILE A 78 13.857 -4.117 4.784 1.00 0.00 C ATOM 1691 O ILE A 78 14.890 -4.787 4.783 1.00 0.00 O ATOM 1692 CB ILE A 78 13.810 -2.069 3.328 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.189 -1.430 2.081 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.331 -2.038 3.240 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.381 0.069 2.006 1.00 0.00 C ATOM 0 H ILE A 78 11.389 -2.668 3.518 1.00 0.00 H new ATOM 0 HA ILE A 78 13.660 -4.106 2.644 1.00 0.00 H new ATOM 0 HB ILE A 78 13.506 -1.495 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.625 -1.888 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.122 -1.652 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.668 -1.008 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.757 -2.459 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.658 -2.625 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.915 0.450 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.920 0.539 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.446 0.299 1.992 1.00 0.00 H new ATOM 1707 N ARG A 79 13.147 -3.884 5.881 1.00 0.00 N ATOM 1708 CA ARG A 79 13.555 -4.402 7.181 1.00 0.00 C ATOM 1709 C ARG A 79 13.445 -5.924 7.220 1.00 0.00 C ATOM 1710 O ARG A 79 14.351 -6.608 7.700 1.00 0.00 O ATOM 1711 CB ARG A 79 12.694 -3.796 8.295 1.00 0.00 C ATOM 1712 CG ARG A 79 12.875 -2.295 8.465 1.00 0.00 C ATOM 1713 CD ARG A 79 13.468 -1.951 9.823 1.00 0.00 C ATOM 1714 NE ARG A 79 14.564 -0.990 9.715 1.00 0.00 N ATOM 1715 CZ ARG A 79 14.542 0.234 10.249 1.00 0.00 C ATOM 1716 NH1 ARG A 79 13.526 0.612 11.018 1.00 0.00 N ATOM 1717 NH2 ARG A 79 15.546 1.075 10.028 1.00 0.00 N ATOM 0 H ARG A 79 12.285 -3.339 5.896 1.00 0.00 H new ATOM 0 HA ARG A 79 14.596 -4.121 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.645 -4.004 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.934 -4.290 9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.525 -1.915 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.912 -1.797 8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.689 -1.541 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.830 -2.861 10.302 1.00 0.00 H new ATOM 0 HE ARG A 79 15.398 -1.272 9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.758 -0.034 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.514 1.548 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.335 0.786 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.528 2.009 10.436 1.00 0.00 H new ATOM 1731 N LEU A 80 12.338 -6.446 6.707 1.00 0.00 N ATOM 1732 CA LEU A 80 12.066 -7.877 6.763 1.00 0.00 C ATOM 1733 C LEU A 80 12.815 -8.644 5.676 1.00 0.00 C ATOM 1734 O LEU A 80 13.648 -9.496 5.977 1.00 0.00 O ATOM 1735 CB LEU A 80 10.560 -8.138 6.636 1.00 0.00 C ATOM 1736 CG LEU A 80 9.996 -9.187 7.602 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.477 -9.121 7.646 1.00 0.00 C ATOM 1738 CD2 LEU A 80 10.458 -10.584 7.212 1.00 0.00 C ATOM 0 H LEU A 80 11.612 -5.898 6.246 1.00 0.00 H new ATOM 0 HA LEU A 80 12.420 -8.236 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.030 -7.199 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.347 -8.456 5.615 1.00 0.00 H new ATOM 0 HG LEU A 80 10.377 -8.966 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.100 -9.874 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.165 -8.132 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.076 -9.310 6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.046 -11.312 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.113 -10.813 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.547 -10.629 7.242 1.00 0.00 H new ATOM 1750 N PHE A 81 12.518 -8.342 4.420 1.00 0.00 N ATOM 1751 CA PHE A 81 13.071 -9.107 3.309 1.00 0.00 C ATOM 1752 C PHE A 81 14.139 -8.308 2.573 1.00 0.00 C ATOM 1753 O PHE A 81 15.316 -8.359 2.924 1.00 0.00 O ATOM 1754 CB PHE A 81 11.964 -9.522 2.328 1.00 0.00 C ATOM 1755 CG PHE A 81 10.811 -10.242 2.968 1.00 0.00 C ATOM 1756 CD1 PHE A 81 10.908 -11.585 3.295 1.00 0.00 C ATOM 1757 CD2 PHE A 81 9.629 -9.574 3.239 1.00 0.00 C ATOM 1758 CE1 PHE A 81 9.848 -12.247 3.882 1.00 0.00 C ATOM 1759 CE2 PHE A 81 8.564 -10.231 3.826 1.00 0.00 C ATOM 1760 CZ PHE A 81 8.674 -11.568 4.148 1.00 0.00 C ATOM 0 H PHE A 81 11.901 -7.578 4.145 1.00 0.00 H new ATOM 0 HA PHE A 81 13.530 -10.004 3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.587 -8.631 1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.397 -10.163 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.823 -12.120 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.538 -8.527 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.936 -13.294 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.647 -9.699 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.844 -12.083 4.607 1.00 0.00 H new ATOM 1770 N GLY A 82 13.718 -7.564 1.564 1.00 0.00 N ATOM 1771 CA GLY A 82 14.654 -6.824 0.750 1.00 0.00 C ATOM 1772 C GLY A 82 14.990 -7.569 -0.523 1.00 0.00 C ATOM 1773 O GLY A 82 16.150 -7.483 -0.983 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.096 -8.257 -1.063 1.00 0.00 O ATOM 0 H GLY A 82 12.740 -7.460 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.232 -5.850 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.566 -6.641 1.318 1.00 0.00 H new