USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=28 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+ -136:sc= 2.38 (180deg=0.951) USER MOD Set 1.2: A 77 TYR OH : rot 166:sc= 1.68 USER MOD Set 2.1: A 50 CYS SG : rot 160:sc= 2.99 USER MOD Set 2.2: A 52 SER OG : rot 94:sc= 1.06 USER MOD Set 2.3: A 53 CYS SG : rot -46:sc= 0.579 USER MOD Set 2.4: A 73 CYS SG : rot -134:sc= -2.76! USER MOD Set 3.1: A 39 MET CE :methyl -156:sc= -2.11 (180deg=-1.6) USER MOD Set 3.2: A 668 MET CE :methyl -139:sc= -3.1! (180deg=-5!) USER MOD Set 4.1: A 37 TYR OH : rot 93:sc= 0.639 USER MOD Set 4.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 23 CYS SG : rot -171:sc= 1.19 USER MOD Set 5.2: A 26 CYS SG : rot 49:sc= 0.268 USER MOD Set 5.3: A 44 HIS : no HE2:sc= -3.29! C(o=-5.6!,f=-9.6!) USER MOD Set 5.4: A 47 CYS SG : rot 136:sc= -3.81! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 109:sc= 0.108 USER MOD Single : A 45 SER OG : rot 180:sc= 0.12 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -160:sc= -0.291 USER MOD Single : A 54 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.22) USER MOD Single : A 56 GLN : amide:sc= -2.44! C(o=-2.4!,f=-7.3!) USER MOD Single : A 62 THR OG1 : rot 133:sc= 0.529 USER MOD Single : A 63 SER OG : rot 180:sc= 0.143 USER MOD Single : A 64 SER OG : rot 160:sc= -0.126 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 41:sc= 1.32 USER MOD Single : A 68 SER OG : rot 143:sc= 0.814 USER MOD Single : A 70 MET CE :methyl -161:sc= -0.223 (180deg=-0.803) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 664 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 665 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.2) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.542 -3.080 -5.978 1.00 0.00 N ATOM 327 CA LEU A 663 12.210 -3.569 -5.661 1.00 0.00 C ATOM 328 C LEU A 663 11.156 -2.788 -6.434 1.00 0.00 C ATOM 329 O LEU A 663 9.997 -2.722 -6.030 1.00 0.00 O ATOM 330 CB LEU A 663 11.927 -3.482 -4.156 1.00 0.00 C ATOM 331 CG LEU A 663 13.089 -3.002 -3.286 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.586 -2.054 -2.210 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.808 -4.187 -2.661 1.00 0.00 C ATOM 0 HA LEU A 663 12.164 -4.617 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.082 -2.811 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.619 -4.467 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 663 13.797 -2.464 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.424 -1.720 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.112 -1.191 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.860 -2.570 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.633 -3.829 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.110 -4.750 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.197 -4.833 -3.448 1.00 0.00 H new ATOM 345 N SER A 664 11.563 -2.210 -7.553 1.00 0.00 N ATOM 346 CA SER A 664 10.670 -1.408 -8.375 1.00 0.00 C ATOM 347 C SER A 664 9.556 -2.267 -8.981 1.00 0.00 C ATOM 348 O SER A 664 8.431 -1.803 -9.166 1.00 0.00 O ATOM 349 CB SER A 664 11.478 -0.708 -9.467 1.00 0.00 C ATOM 350 OG SER A 664 12.847 -0.611 -9.094 1.00 0.00 O ATOM 0 H SER A 664 12.514 -2.282 -7.915 1.00 0.00 H new ATOM 0 HA SER A 664 10.192 -0.655 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.389 -1.260 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 664 11.073 0.288 -9.645 1.00 0.00 H new ATOM 0 HG SER A 664 13.349 -0.162 -9.806 1.00 0.00 H new ATOM 356 N GLN A 665 9.871 -3.525 -9.268 1.00 0.00 N ATOM 357 CA GLN A 665 8.881 -4.461 -9.799 1.00 0.00 C ATOM 358 C GLN A 665 8.118 -5.119 -8.656 1.00 0.00 C ATOM 359 O GLN A 665 7.111 -5.794 -8.868 1.00 0.00 O ATOM 360 CB GLN A 665 9.543 -5.544 -10.660 1.00 0.00 C ATOM 361 CG GLN A 665 10.494 -5.008 -11.718 1.00 0.00 C ATOM 362 CD GLN A 665 11.864 -4.692 -11.158 1.00 0.00 C ATOM 363 OE1 GLN A 665 12.530 -5.555 -10.585 1.00 0.00 O ATOM 364 NE2 GLN A 665 12.282 -3.448 -11.304 1.00 0.00 N ATOM 0 H GLN A 665 10.802 -3.922 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 665 8.191 -3.896 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.090 -6.226 -10.009 1.00 0.00 H new ATOM 0 HB3 GLN A 665 8.764 -6.128 -11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.592 -5.741 -12.519 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.069 -4.107 -12.161 1.00 0.00 H new ATOM 0 HE21 GLN A 665 11.696 -2.766 -11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 665 13.191 -3.169 -10.935 1.00 0.00 H new ATOM 373 N TYR A 666 8.606 -4.911 -7.440 1.00 0.00 N ATOM 374 CA TYR A 666 7.998 -5.500 -6.255 1.00 0.00 C ATOM 375 C TYR A 666 6.953 -4.561 -5.667 1.00 0.00 C ATOM 376 O TYR A 666 6.257 -4.912 -4.718 1.00 0.00 O ATOM 377 CB TYR A 666 9.062 -5.807 -5.197 1.00 0.00 C ATOM 378 CG TYR A 666 9.890 -7.037 -5.490 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.292 -8.239 -5.856 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.275 -6.998 -5.396 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.054 -9.362 -6.120 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.041 -8.116 -5.656 1.00 0.00 C ATOM 383 CZ TYR A 666 11.427 -9.294 -6.019 1.00 0.00 C ATOM 384 OH TYR A 666 12.191 -10.408 -6.279 1.00 0.00 O ATOM 0 H TYR A 666 9.426 -4.335 -7.248 1.00 0.00 H new ATOM 0 HA TYR A 666 7.515 -6.430 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.727 -4.948 -5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.572 -5.934 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.216 -8.296 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.761 -6.076 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 666 9.576 -10.288 -6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.117 -8.067 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 666 13.139 -10.189 -6.163 1.00 0.00 H new ATOM 394 N LYS A 667 6.858 -3.366 -6.232 1.00 0.00 N ATOM 395 CA LYS A 667 5.902 -2.376 -5.767 1.00 0.00 C ATOM 396 C LYS A 667 4.510 -2.696 -6.298 1.00 0.00 C ATOM 397 O LYS A 667 4.361 -3.250 -7.393 1.00 0.00 O ATOM 398 CB LYS A 667 6.350 -0.964 -6.187 1.00 0.00 C ATOM 399 CG LYS A 667 5.624 -0.392 -7.395 1.00 0.00 C ATOM 400 CD LYS A 667 5.259 1.068 -7.181 1.00 0.00 C ATOM 401 CE LYS A 667 5.771 1.944 -8.312 1.00 0.00 C ATOM 402 NZ LYS A 667 7.124 2.489 -8.022 1.00 0.00 N ATOM 0 H LYS A 667 7.434 -3.059 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 667 5.861 -2.406 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.209 -0.288 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 667 7.418 -0.987 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.255 -0.485 -8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 667 4.720 -0.971 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 667 4.176 1.166 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 667 5.676 1.413 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 667 5.803 1.364 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 667 5.076 2.767 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 7.438 3.081 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 7.089 3.063 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 7.793 1.704 -7.890 1.00 0.00 H new ATOM 416 N MET A 668 3.498 -2.366 -5.516 1.00 0.00 N ATOM 417 CA MET A 668 2.123 -2.635 -5.903 1.00 0.00 C ATOM 418 C MET A 668 1.457 -1.380 -6.447 1.00 0.00 C ATOM 419 O MET A 668 1.809 -0.262 -6.066 1.00 0.00 O ATOM 420 CB MET A 668 1.323 -3.176 -4.715 1.00 0.00 C ATOM 421 CG MET A 668 1.112 -2.163 -3.598 1.00 0.00 C ATOM 422 SD MET A 668 -0.002 -2.769 -2.317 1.00 0.00 S ATOM 423 CE MET A 668 1.001 -4.050 -1.571 1.00 0.00 C ATOM 0 H MET A 668 3.601 -1.911 -4.609 1.00 0.00 H new ATOM 0 HA MET A 668 2.139 -3.389 -6.690 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.351 -3.518 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.838 -4.047 -4.309 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.074 -1.915 -3.150 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.709 -1.242 -4.019 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.379 -4.919 -1.354 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.797 -4.336 -2.259 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.439 -3.677 -0.645 1.00 0.00 H new ATOM 433 N ASP A 669 0.510 -1.574 -7.350 1.00 0.00 N ATOM 434 CA ASP A 669 -0.269 -0.474 -7.897 1.00 0.00 C ATOM 435 C ASP A 669 -1.611 -0.399 -7.182 1.00 0.00 C ATOM 436 O ASP A 669 -2.481 -1.252 -7.372 1.00 0.00 O ATOM 437 CB ASP A 669 -0.469 -0.663 -9.405 1.00 0.00 C ATOM 438 CG ASP A 669 -1.591 0.188 -9.974 1.00 0.00 C ATOM 439 OD1 ASP A 669 -1.722 1.370 -9.583 1.00 0.00 O ATOM 440 OD2 ASP A 669 -2.344 -0.322 -10.829 1.00 0.00 O ATOM 0 H ASP A 669 0.260 -2.490 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 669 0.268 0.462 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.460 -0.419 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.680 -1.713 -9.608 1.00 0.00 H new ATOM 445 N VAL A 670 -1.764 0.612 -6.343 1.00 0.00 N ATOM 446 CA VAL A 670 -2.985 0.783 -5.575 1.00 0.00 C ATOM 447 C VAL A 670 -4.031 1.528 -6.394 1.00 0.00 C ATOM 448 O VAL A 670 -4.036 2.759 -6.451 1.00 0.00 O ATOM 449 CB VAL A 670 -2.726 1.548 -4.258 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.929 1.453 -3.330 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.476 1.019 -3.563 1.00 0.00 C ATOM 0 H VAL A 670 -1.056 1.328 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.354 -0.213 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.566 2.597 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.723 1.999 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.802 1.885 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.125 0.407 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.313 1.572 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.606 -0.039 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.614 1.145 -4.218 1.00 0.00 H new ATOM 461 N THR A 671 -4.902 0.774 -7.044 1.00 0.00 N ATOM 462 CA THR A 671 -6.001 1.357 -7.795 1.00 0.00 C ATOM 463 C THR A 671 -7.273 1.369 -6.959 1.00 0.00 C ATOM 464 O THR A 671 -7.689 0.337 -6.438 1.00 0.00 O ATOM 465 CB THR A 671 -6.269 0.586 -9.101 1.00 0.00 C ATOM 466 OG1 THR A 671 -5.029 0.194 -9.709 1.00 0.00 O ATOM 467 CG2 THR A 671 -7.073 1.442 -10.069 1.00 0.00 C ATOM 0 H THR A 671 -4.869 -0.245 -7.067 1.00 0.00 H new ATOM 0 HA THR A 671 -5.712 2.378 -8.044 1.00 0.00 H new ATOM 0 HB THR A 671 -6.845 -0.308 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 671 -5.212 -0.297 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 671 -7.253 0.882 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 671 -8.027 1.709 -9.613 1.00 0.00 H new ATOM 0 HG23 THR A 671 -6.516 2.349 -10.302 1.00 0.00 H new ATOM 475 N VAL A 672 -7.875 2.536 -6.808 1.00 0.00 N ATOM 476 CA VAL A 672 -9.134 2.641 -6.089 1.00 0.00 C ATOM 477 C VAL A 672 -10.309 2.463 -7.056 1.00 0.00 C ATOM 478 O VAL A 672 -10.343 3.065 -8.132 1.00 0.00 O ATOM 479 CB VAL A 672 -9.242 3.984 -5.324 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.386 5.167 -6.271 1.00 0.00 C ATOM 481 CG2 VAL A 672 -10.392 3.941 -4.329 1.00 0.00 C ATOM 0 H VAL A 672 -7.516 3.419 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 672 -9.169 1.844 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.312 4.124 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.459 6.089 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -8.516 5.217 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -10.287 5.044 -6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -10.452 4.893 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -11.326 3.761 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -10.222 3.138 -3.611 1.00 0.00 H new ATOM 491 N ILE A 673 -11.243 1.602 -6.685 1.00 0.00 N ATOM 492 CA ILE A 673 -12.379 1.289 -7.540 1.00 0.00 C ATOM 493 C ILE A 673 -13.554 2.215 -7.233 1.00 0.00 C ATOM 494 O ILE A 673 -13.920 2.411 -6.073 1.00 0.00 O ATOM 495 CB ILE A 673 -12.805 -0.192 -7.384 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.815 -1.107 -8.110 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.214 -0.417 -7.918 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.725 -1.659 -7.216 1.00 0.00 C ATOM 0 H ILE A 673 -11.237 1.105 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 673 -12.072 1.446 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.801 -0.434 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.362 -1.938 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.355 -0.553 -8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.486 -1.465 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.916 0.207 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.249 -0.154 -8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.063 -2.298 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.152 -0.835 -6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.174 -2.242 -6.412 1.00 0.00 H new ATOM 510 N ASP A 674 -14.138 2.780 -8.280 1.00 0.00 N ATOM 511 CA ASP A 674 -15.220 3.743 -8.135 1.00 0.00 C ATOM 512 C ASP A 674 -16.578 3.062 -8.215 1.00 0.00 C ATOM 513 O ASP A 674 -16.846 2.286 -9.134 1.00 0.00 O ATOM 514 CB ASP A 674 -15.118 4.818 -9.221 1.00 0.00 C ATOM 515 CG ASP A 674 -16.343 5.712 -9.293 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.318 5.345 -9.983 1.00 0.00 O ATOM 517 OD2 ASP A 674 -16.328 6.799 -8.674 1.00 0.00 O ATOM 0 H ASP A 674 -13.878 2.586 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 674 -15.126 4.207 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.238 5.433 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -14.970 4.336 -10.188 1.00 0.00 H new ATOM 522 N THR A 675 -17.424 3.343 -7.240 1.00 0.00 N ATOM 523 CA THR A 675 -18.803 2.899 -7.277 1.00 0.00 C ATOM 524 C THR A 675 -19.728 4.110 -7.211 1.00 0.00 C ATOM 525 O THR A 675 -19.608 4.949 -6.315 1.00 0.00 O ATOM 526 CB THR A 675 -19.131 1.907 -6.130 1.00 0.00 C ATOM 527 OG1 THR A 675 -20.547 1.681 -6.056 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.632 2.422 -4.787 1.00 0.00 C ATOM 0 H THR A 675 -17.177 3.880 -6.409 1.00 0.00 H new ATOM 0 HA THR A 675 -18.958 2.364 -8.214 1.00 0.00 H new ATOM 0 HB THR A 675 -18.620 0.970 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 675 -20.740 1.052 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.879 1.702 -4.007 1.00 0.00 H new ATOM 0 HG22 THR A 675 -17.551 2.557 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 675 -19.108 3.377 -4.564 1.00 0.00 H new ATOM 806 N TRP A 20 -21.605 -8.150 -2.804 1.00 0.00 N ATOM 807 CA TRP A 20 -20.788 -7.072 -3.355 1.00 0.00 C ATOM 808 C TRP A 20 -19.434 -7.608 -3.799 1.00 0.00 C ATOM 809 O TRP A 20 -19.319 -8.246 -4.849 1.00 0.00 O ATOM 810 CB TRP A 20 -20.609 -5.933 -2.341 1.00 0.00 C ATOM 811 CG TRP A 20 -21.856 -5.596 -1.578 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.112 -5.423 -2.083 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.960 -5.393 -0.164 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.988 -5.125 -1.070 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.306 -5.100 0.116 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.046 -5.430 0.891 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.761 -4.847 1.407 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.498 -5.178 2.172 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.846 -4.889 2.420 1.00 0.00 C ATOM 0 HA TRP A 20 -21.308 -6.667 -4.223 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.826 -6.209 -1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.265 -5.042 -2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.377 -5.508 -3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.987 -4.950 -1.183 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.005 -5.652 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.800 -4.625 1.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.800 -5.204 2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.168 -4.696 3.433 1.00 0.00 H new ATOM 830 N LYS A 21 -18.418 -7.348 -3.002 1.00 0.00 N ATOM 831 CA LYS A 21 -17.090 -7.845 -3.276 1.00 0.00 C ATOM 832 C LYS A 21 -16.467 -8.392 -2.003 1.00 0.00 C ATOM 833 O LYS A 21 -16.536 -7.759 -0.951 1.00 0.00 O ATOM 834 CB LYS A 21 -16.220 -6.734 -3.863 1.00 0.00 C ATOM 835 CG LYS A 21 -15.438 -7.163 -5.091 1.00 0.00 C ATOM 836 CD LYS A 21 -16.307 -7.956 -6.054 1.00 0.00 C ATOM 837 CE LYS A 21 -15.812 -7.846 -7.485 1.00 0.00 C ATOM 838 NZ LYS A 21 -16.678 -6.964 -8.312 1.00 0.00 N ATOM 0 H LYS A 21 -18.491 -6.789 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.158 -8.652 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.854 -5.886 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.522 -6.388 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.041 -6.283 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.584 -7.768 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.319 -9.004 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.334 -7.596 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.794 -7.458 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.775 -8.839 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.302 -6.918 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.645 -7.347 -8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.693 -6.009 -7.901 1.00 0.00 H new ATOM 852 N ARG A 22 -15.890 -9.578 -2.097 1.00 0.00 N ATOM 853 CA ARG A 22 -15.247 -10.203 -0.954 1.00 0.00 C ATOM 854 C ARG A 22 -13.748 -9.944 -0.982 1.00 0.00 C ATOM 855 O ARG A 22 -13.089 -10.174 -2.000 1.00 0.00 O ATOM 856 CB ARG A 22 -15.520 -11.706 -0.942 1.00 0.00 C ATOM 857 CG ARG A 22 -16.907 -12.066 -0.434 1.00 0.00 C ATOM 858 CD ARG A 22 -16.896 -13.374 0.339 1.00 0.00 C ATOM 859 NE ARG A 22 -16.522 -14.507 -0.506 1.00 0.00 N ATOM 860 CZ ARG A 22 -17.380 -15.199 -1.260 1.00 0.00 C ATOM 861 NH1 ARG A 22 -18.678 -14.914 -1.238 1.00 0.00 N ATOM 862 NH2 ARG A 22 -16.937 -16.189 -2.028 1.00 0.00 N ATOM 0 H ARG A 22 -15.854 -10.128 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.662 -9.766 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.399 -12.097 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.774 -12.198 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.279 -11.267 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.594 -12.146 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.197 -13.297 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.883 -13.551 0.766 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.541 -14.787 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.025 -14.162 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.327 -15.447 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.943 -16.419 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.591 -16.719 -2.605 1.00 0.00 H new ATOM 876 N CYS A 23 -13.210 -9.478 0.134 1.00 0.00 N ATOM 877 CA CYS A 23 -11.810 -9.112 0.212 1.00 0.00 C ATOM 878 C CYS A 23 -10.921 -10.318 0.495 1.00 0.00 C ATOM 879 O CYS A 23 -11.377 -11.341 1.012 1.00 0.00 O ATOM 880 CB CYS A 23 -11.609 -8.053 1.281 1.00 0.00 C ATOM 881 SG CYS A 23 -12.357 -8.445 2.891 1.00 0.00 S ATOM 0 H CYS A 23 -13.728 -9.345 1.002 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.519 -8.710 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.539 -7.897 1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.025 -7.111 0.923 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.286 -7.405 3.667 1.00 0.00 H new ATOM 886 N ALA A 24 -9.655 -10.195 0.132 1.00 0.00 N ATOM 887 CA ALA A 24 -8.691 -11.268 0.336 1.00 0.00 C ATOM 888 C ALA A 24 -8.202 -11.321 1.784 1.00 0.00 C ATOM 889 O ALA A 24 -7.566 -12.292 2.194 1.00 0.00 O ATOM 890 CB ALA A 24 -7.515 -11.110 -0.610 1.00 0.00 C ATOM 0 H ALA A 24 -9.268 -9.360 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.197 -12.209 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.804 -11.919 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.870 -11.143 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.025 -10.154 -0.425 1.00 0.00 H new ATOM 896 N GLY A 25 -8.501 -10.284 2.554 1.00 0.00 N ATOM 897 CA GLY A 25 -8.089 -10.253 3.945 1.00 0.00 C ATOM 898 C GLY A 25 -9.114 -10.901 4.855 1.00 0.00 C ATOM 899 O GLY A 25 -9.071 -12.116 5.063 1.00 0.00 O ATOM 0 H GLY A 25 -9.021 -9.464 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.133 -10.766 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.932 -9.220 4.254 1.00 0.00 H new ATOM 903 N CYS A 26 -10.038 -10.089 5.391 1.00 0.00 N ATOM 904 CA CYS A 26 -11.129 -10.591 6.230 1.00 0.00 C ATOM 905 C CYS A 26 -11.819 -11.786 5.575 1.00 0.00 C ATOM 906 O CYS A 26 -12.064 -12.807 6.219 1.00 0.00 O ATOM 907 CB CYS A 26 -12.182 -9.499 6.500 1.00 0.00 C ATOM 908 SG CYS A 26 -11.555 -7.786 6.509 1.00 0.00 S ATOM 0 H CYS A 26 -10.048 -9.078 5.255 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.682 -10.899 7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.963 -9.577 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.650 -9.701 7.463 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.822 -7.587 5.454 1.00 0.00 H new ATOM 913 N GLY A 27 -12.124 -11.645 4.293 1.00 0.00 N ATOM 914 CA GLY A 27 -12.839 -12.684 3.584 1.00 0.00 C ATOM 915 C GLY A 27 -14.331 -12.478 3.679 1.00 0.00 C ATOM 916 O GLY A 27 -15.122 -13.395 3.441 1.00 0.00 O ATOM 0 H GLY A 27 -11.888 -10.827 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.535 -12.689 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.576 -13.658 3.997 1.00 0.00 H new ATOM 920 N GLY A 28 -14.711 -11.261 4.030 1.00 0.00 N ATOM 921 CA GLY A 28 -16.107 -10.928 4.169 1.00 0.00 C ATOM 922 C GLY A 28 -16.584 -10.041 3.047 1.00 0.00 C ATOM 923 O GLY A 28 -16.006 -10.041 1.964 1.00 0.00 O ATOM 0 H GLY A 28 -14.069 -10.492 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.699 -11.843 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.268 -10.426 5.123 1.00 0.00 H new ATOM 927 N LYS A 29 -17.637 -9.287 3.304 1.00 0.00 N ATOM 928 CA LYS A 29 -18.167 -8.366 2.317 1.00 0.00 C ATOM 929 C LYS A 29 -17.532 -6.999 2.508 1.00 0.00 C ATOM 930 O LYS A 29 -17.565 -6.449 3.611 1.00 0.00 O ATOM 931 CB LYS A 29 -19.689 -8.255 2.456 1.00 0.00 C ATOM 932 CG LYS A 29 -20.443 -9.514 2.053 1.00 0.00 C ATOM 933 CD LYS A 29 -21.431 -9.946 3.126 1.00 0.00 C ATOM 934 CE LYS A 29 -22.484 -8.878 3.387 1.00 0.00 C ATOM 935 NZ LYS A 29 -23.293 -9.183 4.596 1.00 0.00 N ATOM 0 H LYS A 29 -18.143 -9.295 4.190 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.934 -8.741 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.932 -8.014 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.039 -7.423 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -20.975 -9.336 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.733 -10.320 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.919 -10.871 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.894 -10.160 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.997 -7.910 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.141 -8.796 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.999 -8.433 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.778 -10.094 4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.669 -9.236 5.427 1.00 0.00 H new ATOM 949 N ILE A 30 -16.926 -6.465 1.457 1.00 0.00 N ATOM 950 CA ILE A 30 -16.339 -5.140 1.530 1.00 0.00 C ATOM 951 C ILE A 30 -17.444 -4.101 1.645 1.00 0.00 C ATOM 952 O ILE A 30 -18.171 -3.830 0.689 1.00 0.00 O ATOM 953 CB ILE A 30 -15.453 -4.828 0.301 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.218 -5.730 0.293 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.034 -3.364 0.290 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.569 -5.855 -1.069 1.00 0.00 C ATOM 0 H ILE A 30 -16.830 -6.926 0.552 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.699 -5.107 2.412 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.039 -5.023 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.487 -5.338 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.501 -6.722 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.412 -3.170 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.921 -2.732 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.469 -3.141 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.700 -6.509 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.284 -6.276 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.255 -4.870 -1.414 1.00 0.00 H new ATOM 968 N ALA A 31 -17.565 -3.525 2.828 1.00 0.00 N ATOM 969 CA ALA A 31 -18.583 -2.525 3.083 1.00 0.00 C ATOM 970 C ALA A 31 -17.941 -1.178 3.348 1.00 0.00 C ATOM 971 O ALA A 31 -18.553 -0.283 3.930 1.00 0.00 O ATOM 972 CB ALA A 31 -19.468 -2.946 4.247 1.00 0.00 C ATOM 0 H ALA A 31 -16.968 -3.734 3.628 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.213 -2.435 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.226 -2.182 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.955 -3.892 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.859 -3.065 5.143 1.00 0.00 H new ATOM 978 N ASP A 32 -16.699 -1.040 2.907 1.00 0.00 N ATOM 979 CA ASP A 32 -15.975 0.215 3.051 1.00 0.00 C ATOM 980 C ASP A 32 -16.296 1.150 1.892 1.00 0.00 C ATOM 981 O ASP A 32 -15.665 2.199 1.738 1.00 0.00 O ATOM 982 CB ASP A 32 -14.472 -0.037 3.105 1.00 0.00 C ATOM 983 CG ASP A 32 -13.924 -0.008 4.517 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.596 0.538 5.415 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.811 -0.534 4.732 1.00 0.00 O ATOM 0 H ASP A 32 -16.171 -1.782 2.446 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.289 0.683 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.254 -1.006 2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.960 0.716 2.506 1.00 0.00 H new ATOM 990 N ARG A 33 -17.277 0.741 1.081 1.00 0.00 N ATOM 991 CA ARG A 33 -17.748 1.501 -0.080 1.00 0.00 C ATOM 992 C ARG A 33 -16.739 1.451 -1.222 1.00 0.00 C ATOM 993 O ARG A 33 -17.017 0.882 -2.275 1.00 0.00 O ATOM 994 CB ARG A 33 -18.060 2.955 0.289 1.00 0.00 C ATOM 995 CG ARG A 33 -19.299 3.500 -0.398 1.00 0.00 C ATOM 996 CD ARG A 33 -19.192 4.997 -0.632 1.00 0.00 C ATOM 997 NE ARG A 33 -20.402 5.696 -0.208 1.00 0.00 N ATOM 998 CZ ARG A 33 -20.661 6.974 -0.473 1.00 0.00 C ATOM 999 NH1 ARG A 33 -19.770 7.725 -1.112 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -21.806 7.508 -0.067 1.00 0.00 N ATOM 0 H ARG A 33 -17.773 -0.140 1.215 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.672 1.030 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.191 3.028 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.205 3.579 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -19.442 2.991 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.177 3.288 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.334 5.390 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.013 5.188 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 33 -21.094 5.170 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.879 7.323 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.977 8.704 -1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.481 6.939 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.011 8.487 -0.267 1.00 0.00 H new ATOM 1014 N PHE A 34 -15.575 2.035 -1.010 1.00 0.00 N ATOM 1015 CA PHE A 34 -14.549 2.068 -2.038 1.00 0.00 C ATOM 1016 C PHE A 34 -13.501 0.996 -1.775 1.00 0.00 C ATOM 1017 O PHE A 34 -12.924 0.930 -0.688 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.902 3.450 -2.103 1.00 0.00 C ATOM 1019 CG PHE A 34 -14.490 4.333 -3.167 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.862 4.478 -3.281 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.673 5.012 -4.054 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -16.408 5.283 -4.259 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -14.213 5.818 -5.035 1.00 0.00 C ATOM 1024 CZ PHE A 34 -15.583 5.954 -5.139 1.00 0.00 C ATOM 0 H PHE A 34 -15.315 2.493 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.016 1.864 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.009 3.939 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.834 3.335 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.513 3.955 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.601 4.910 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.480 5.388 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.564 6.342 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.008 6.584 -5.907 1.00 0.00 H new ATOM 1034 N LEU A 35 -13.281 0.144 -2.763 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.309 -0.927 -2.637 1.00 0.00 C ATOM 1036 C LEU A 35 -11.009 -0.551 -3.341 1.00 0.00 C ATOM 1037 O LEU A 35 -11.009 0.247 -4.279 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.864 -2.247 -3.192 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.853 -2.124 -4.354 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.609 -3.227 -5.373 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.288 -2.180 -3.846 1.00 0.00 C ATOM 0 H LEU A 35 -13.763 0.174 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.101 -1.072 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.025 -2.862 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.354 -2.782 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.698 -1.160 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.319 -3.128 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.593 -3.146 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.739 -4.198 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.975 -2.091 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.457 -3.129 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.459 -1.360 -3.149 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.909 -1.122 -2.879 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.595 -0.798 -3.409 1.00 0.00 C ATOM 1055 C LEU A 36 -7.944 -2.023 -4.037 1.00 0.00 C ATOM 1056 O LEU A 36 -8.390 -3.153 -3.835 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.693 -0.240 -2.300 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.239 0.991 -1.576 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.134 0.812 -0.071 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.497 2.244 -2.017 1.00 0.00 C ATOM 0 H LEU A 36 -9.901 -1.817 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.722 -0.039 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.518 -1.026 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.725 0.012 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.291 1.105 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.527 1.697 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.710 -0.062 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.089 0.672 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.900 3.109 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.437 2.140 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.622 2.382 -3.091 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.895 -1.779 -4.800 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.143 -2.833 -5.456 1.00 0.00 C ATOM 1074 C TYR A 37 -4.733 -2.905 -4.891 1.00 0.00 C ATOM 1075 O TYR A 37 -4.187 -1.897 -4.451 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.081 -2.571 -6.959 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.806 -3.600 -7.785 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.661 -4.956 -7.528 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.636 -3.216 -8.827 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.319 -5.900 -8.288 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.300 -4.153 -9.591 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.138 -5.494 -9.320 1.00 0.00 C ATOM 1083 OH TYR A 37 -8.790 -6.431 -10.085 1.00 0.00 O ATOM 0 H TYR A 37 -6.539 -0.841 -4.983 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.646 -3.783 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.505 -1.588 -7.165 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.037 -2.539 -7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.022 -5.277 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.765 -2.166 -9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.193 -6.952 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.944 -3.837 -10.398 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.682 -6.594 -9.713 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.160 -4.098 -4.896 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.789 -4.289 -4.448 1.00 0.00 C ATOM 1095 C ALA A 38 -2.078 -5.285 -5.349 1.00 0.00 C ATOM 1096 O ALA A 38 -1.446 -4.904 -6.332 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.754 -4.748 -2.996 1.00 0.00 C ATOM 0 H ALA A 38 -4.625 -4.951 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.267 -3.334 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.719 -4.884 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.228 -3.996 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.290 -5.692 -2.900 1.00 0.00 H new ATOM 1103 N MET A 39 -2.193 -6.563 -5.018 1.00 0.00 N ATOM 1104 CA MET A 39 -1.593 -7.615 -5.825 1.00 0.00 C ATOM 1105 C MET A 39 -2.513 -7.972 -6.985 1.00 0.00 C ATOM 1106 O MET A 39 -2.315 -7.522 -8.112 1.00 0.00 O ATOM 1107 CB MET A 39 -1.323 -8.851 -4.963 1.00 0.00 C ATOM 1108 CG MET A 39 0.140 -9.041 -4.605 1.00 0.00 C ATOM 1109 SD MET A 39 0.641 -8.031 -3.199 1.00 0.00 S ATOM 1110 CE MET A 39 1.405 -6.649 -4.041 1.00 0.00 C ATOM 0 H MET A 39 -2.696 -6.896 -4.196 1.00 0.00 H new ATOM 0 HA MET A 39 -0.646 -7.255 -6.226 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.905 -8.776 -4.045 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.676 -9.736 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.322 -10.091 -4.377 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.758 -8.790 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.119 -6.166 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.924 -7.007 -4.930 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.638 -5.931 -4.332 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.534 -8.764 -6.690 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.489 -9.202 -7.701 1.00 0.00 C ATOM 1122 C ASP A 40 -5.871 -9.385 -7.083 1.00 0.00 C ATOM 1123 O ASP A 40 -6.787 -9.915 -7.712 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.022 -10.518 -8.334 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.242 -11.716 -7.429 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.002 -11.604 -6.208 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -4.645 -12.785 -7.936 1.00 0.00 O ATOM 0 H ASP A 40 -3.724 -9.119 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.549 -8.437 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.555 -10.674 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.962 -10.443 -8.578 1.00 0.00 H new ATOM 1132 N SER A 41 -6.015 -8.949 -5.842 1.00 0.00 N ATOM 1133 CA SER A 41 -7.264 -9.107 -5.117 1.00 0.00 C ATOM 1134 C SER A 41 -7.878 -7.747 -4.809 1.00 0.00 C ATOM 1135 O SER A 41 -7.242 -6.717 -5.021 1.00 0.00 O ATOM 1136 CB SER A 41 -7.011 -9.885 -3.826 1.00 0.00 C ATOM 1137 OG SER A 41 -5.671 -10.349 -3.767 1.00 0.00 O ATOM 0 H SER A 41 -5.278 -8.481 -5.314 1.00 0.00 H new ATOM 0 HA SER A 41 -7.967 -9.664 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.217 -9.247 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.696 -10.731 -3.767 1.00 0.00 H new ATOM 0 HG SER A 41 -5.178 -9.841 -3.089 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.112 -7.747 -4.322 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.782 -6.512 -3.944 1.00 0.00 C ATOM 1145 C TYR A 42 -9.655 -6.294 -2.442 1.00 0.00 C ATOM 1146 O TYR A 42 -9.807 -7.233 -1.659 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.254 -6.555 -4.355 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.465 -6.783 -5.838 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.113 -5.809 -6.766 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.023 -7.966 -6.309 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.310 -6.010 -8.117 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.222 -8.170 -7.662 1.00 0.00 C ATOM 1153 CZ TYR A 42 -11.865 -7.190 -8.559 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.068 -7.387 -9.905 1.00 0.00 O ATOM 0 H TYR A 42 -9.669 -8.590 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.307 -5.680 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.754 -7.348 -3.799 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.730 -5.617 -4.069 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.679 -4.881 -6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.305 -8.737 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.030 -5.244 -8.825 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.656 -9.095 -8.013 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.466 -8.271 -10.050 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.351 -5.064 -2.050 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.124 -4.738 -0.647 1.00 0.00 C ATOM 1166 C TRP A 43 -9.938 -3.515 -0.239 1.00 0.00 C ATOM 1167 O TRP A 43 -10.664 -2.948 -1.043 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.634 -4.463 -0.393 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.710 -5.439 -1.064 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.387 -5.484 -2.389 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.984 -6.503 -0.440 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.530 -6.527 -2.632 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.261 -7.164 -1.451 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.877 -6.962 0.872 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.447 -8.259 -1.189 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.069 -8.052 1.133 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.363 -8.690 0.104 1.00 0.00 C ATOM 0 H TRP A 43 -9.255 -4.272 -2.686 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.440 -5.593 -0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.397 -3.457 -0.739 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.449 -4.483 0.681 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.753 -4.798 -3.138 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.154 -6.786 -3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.416 -6.474 1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.900 -8.752 -1.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.980 -8.418 2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.740 -9.540 0.339 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.800 -3.118 1.016 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.454 -1.918 1.539 1.00 0.00 C ATOM 1190 C HIS A 44 -9.592 -1.334 2.658 1.00 0.00 C ATOM 1191 O HIS A 44 -8.480 -1.804 2.881 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.877 -2.223 2.053 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.944 -3.359 3.029 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.432 -3.257 4.322 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.507 -4.628 2.894 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.268 -4.458 4.915 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.709 -5.300 4.079 1.00 0.00 N ATOM 0 H HIS A 44 -9.233 -3.614 1.704 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.555 -1.193 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.281 -1.328 2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.518 -2.451 1.202 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.841 -2.425 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.069 -5.049 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.555 -4.692 5.930 1.00 0.00 H new ATOM 1205 N SER A 45 -10.109 -0.341 3.370 1.00 0.00 N ATOM 1206 CA SER A 45 -9.344 0.353 4.406 1.00 0.00 C ATOM 1207 C SER A 45 -8.877 -0.596 5.514 1.00 0.00 C ATOM 1208 O SER A 45 -7.790 -0.432 6.068 1.00 0.00 O ATOM 1209 CB SER A 45 -10.191 1.479 5.000 1.00 0.00 C ATOM 1210 OG SER A 45 -11.328 1.734 4.190 1.00 0.00 O ATOM 0 H SER A 45 -11.061 0.006 3.250 1.00 0.00 H new ATOM 0 HA SER A 45 -8.450 0.767 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.509 1.209 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.591 2.385 5.088 1.00 0.00 H new ATOM 0 HG SER A 45 -11.858 2.456 4.588 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.698 -1.586 5.834 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.373 -2.527 6.896 1.00 0.00 C ATOM 1218 C ARG A 46 -8.444 -3.638 6.404 1.00 0.00 C ATOM 1219 O ARG A 46 -7.781 -4.299 7.204 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.656 -3.139 7.465 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.723 -3.145 8.984 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.752 -4.152 9.582 1.00 0.00 C ATOM 1223 NE ARG A 46 -10.436 -5.260 10.243 1.00 0.00 N ATOM 1224 CZ ARG A 46 -10.191 -6.547 9.995 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -9.301 -6.896 9.073 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -10.842 -7.484 10.673 1.00 0.00 N ATOM 0 H ARG A 46 -10.592 -1.758 5.375 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.851 -1.975 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.512 -2.587 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.748 -4.164 7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.495 -2.149 9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.738 -3.383 9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.108 -4.544 8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.106 -3.647 10.300 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.147 -5.035 10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.800 -6.178 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.118 -7.882 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.527 -7.218 11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.658 -8.470 10.486 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.399 -3.845 5.093 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.631 -4.944 4.531 1.00 0.00 C ATOM 1242 C CYS A 47 -6.289 -4.479 3.975 1.00 0.00 C ATOM 1243 O CYS A 47 -5.257 -5.101 4.224 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.435 -5.634 3.432 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.990 -7.311 3.867 1.00 0.00 S ATOM 0 H CYS A 47 -8.883 -3.269 4.405 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.429 -5.648 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.306 -5.024 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.827 -5.686 2.529 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.229 -7.466 3.505 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.311 -3.385 3.228 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.128 -2.907 2.533 1.00 0.00 C ATOM 1252 C LEU A 48 -4.155 -2.232 3.493 1.00 0.00 C ATOM 1253 O LEU A 48 -4.003 -1.007 3.503 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.531 -1.953 1.407 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.708 -2.068 0.118 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.686 -0.958 0.054 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -4.018 -3.420 0.021 1.00 0.00 C ATOM 0 H LEU A 48 -7.141 -2.809 3.088 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.616 -3.766 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.579 -2.127 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.455 -0.930 1.776 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.391 -1.977 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.107 -1.049 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.194 0.006 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.018 -1.029 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.443 -3.470 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.349 -3.549 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.767 -4.212 0.025 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.502 -3.050 4.300 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.519 -2.577 5.252 1.00 0.00 C ATOM 1271 C LYS A 49 -1.302 -3.487 5.222 1.00 0.00 C ATOM 1272 O LYS A 49 -1.382 -4.630 4.768 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.110 -2.543 6.665 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.112 -1.422 6.886 1.00 0.00 C ATOM 1275 CD LYS A 49 -4.535 -1.336 8.341 1.00 0.00 C ATOM 1276 CE LYS A 49 -6.034 -1.498 8.493 1.00 0.00 C ATOM 1277 NZ LYS A 49 -6.548 -0.745 9.664 1.00 0.00 N ATOM 0 H LYS A 49 -3.640 -4.061 4.312 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.223 -1.565 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.596 -3.497 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.299 -2.439 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.673 -0.473 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.989 -1.587 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.024 -2.108 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.228 -0.375 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.532 -1.149 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.277 -2.555 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.577 -0.878 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.090 -1.095 10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.337 0.267 9.546 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.177 -2.967 5.685 1.00 0.00 N ATOM 1292 CA CYS A 50 1.040 -3.749 5.801 1.00 0.00 C ATOM 1293 C CYS A 50 0.798 -4.952 6.716 1.00 0.00 C ATOM 1294 O CYS A 50 0.190 -4.824 7.775 1.00 0.00 O ATOM 1295 CB CYS A 50 2.154 -2.853 6.351 1.00 0.00 C ATOM 1296 SG CYS A 50 3.730 -3.687 6.730 1.00 0.00 S ATOM 0 H CYS A 50 -0.083 -1.998 5.989 1.00 0.00 H new ATOM 0 HA CYS A 50 1.340 -4.126 4.823 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.349 -2.062 5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.792 -2.372 7.259 1.00 0.00 H new ATOM 0 HG CYS A 50 4.687 -2.808 6.772 1.00 0.00 H new ATOM 1301 N SER A 51 1.261 -6.118 6.303 1.00 0.00 N ATOM 1302 CA SER A 51 1.065 -7.330 7.084 1.00 0.00 C ATOM 1303 C SER A 51 2.071 -7.395 8.227 1.00 0.00 C ATOM 1304 O SER A 51 2.048 -8.316 9.044 1.00 0.00 O ATOM 1305 CB SER A 51 1.197 -8.564 6.186 1.00 0.00 C ATOM 1306 OG SER A 51 0.737 -8.289 4.869 1.00 0.00 O ATOM 0 H SER A 51 1.775 -6.253 5.432 1.00 0.00 H new ATOM 0 HA SER A 51 0.061 -7.313 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.239 -8.883 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.625 -9.389 6.610 1.00 0.00 H new ATOM 0 HG SER A 51 0.530 -9.131 4.412 1.00 0.00 H new ATOM 1312 N SER A 52 2.953 -6.411 8.282 1.00 0.00 N ATOM 1313 CA SER A 52 3.986 -6.383 9.298 1.00 0.00 C ATOM 1314 C SER A 52 3.665 -5.369 10.401 1.00 0.00 C ATOM 1315 O SER A 52 3.694 -5.713 11.586 1.00 0.00 O ATOM 1316 CB SER A 52 5.335 -6.082 8.650 1.00 0.00 C ATOM 1317 OG SER A 52 5.241 -6.129 7.234 1.00 0.00 O ATOM 0 H SER A 52 2.973 -5.623 7.635 1.00 0.00 H new ATOM 0 HA SER A 52 4.031 -7.364 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.681 -5.097 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.076 -6.804 8.993 1.00 0.00 H new ATOM 0 HG SER A 52 5.072 -5.228 6.887 1.00 0.00 H new ATOM 1323 N CYS A 53 3.342 -4.130 10.029 1.00 0.00 N ATOM 1324 CA CYS A 53 3.035 -3.109 11.030 1.00 0.00 C ATOM 1325 C CYS A 53 1.580 -2.649 10.936 1.00 0.00 C ATOM 1326 O CYS A 53 1.114 -1.857 11.761 1.00 0.00 O ATOM 1327 CB CYS A 53 3.984 -1.912 10.906 1.00 0.00 C ATOM 1328 SG CYS A 53 3.837 -0.974 9.351 1.00 0.00 S ATOM 0 H CYS A 53 3.287 -3.813 9.061 1.00 0.00 H new ATOM 0 HA CYS A 53 3.180 -3.564 12.010 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.802 -1.235 11.740 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.010 -2.268 11.003 1.00 0.00 H new ATOM 0 HG CYS A 53 3.791 -1.800 8.348 1.00 0.00 H new ATOM 1333 N GLN A 54 0.879 -3.157 9.928 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.532 -2.843 9.703 1.00 0.00 C ATOM 1335 C GLN A 54 -0.744 -1.350 9.467 1.00 0.00 C ATOM 1336 O GLN A 54 -1.708 -0.760 9.958 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.393 -3.332 10.869 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.201 -4.580 10.542 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.695 -4.324 10.546 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.243 -3.786 11.507 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.367 -4.709 9.470 1.00 0.00 N ATOM 0 H GLN A 54 1.272 -3.800 9.241 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.843 -3.369 8.801 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.750 -3.538 11.724 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.074 -2.535 11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.903 -4.955 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.968 -5.360 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.876 -5.152 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.375 -4.562 9.419 1.00 0.00 H new ATOM 1350 N ALA A 55 0.160 -0.743 8.714 1.00 0.00 N ATOM 1351 CA ALA A 55 0.010 0.650 8.325 1.00 0.00 C ATOM 1352 C ALA A 55 -0.875 0.750 7.091 1.00 0.00 C ATOM 1353 O ALA A 55 -0.777 -0.082 6.188 1.00 0.00 O ATOM 1354 CB ALA A 55 1.369 1.278 8.060 1.00 0.00 C ATOM 0 H ALA A 55 1.004 -1.193 8.360 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.463 1.195 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.238 2.320 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.976 1.226 8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.869 0.738 7.256 1.00 0.00 H new ATOM 1360 N GLN A 56 -1.747 1.747 7.066 1.00 0.00 N ATOM 1361 CA GLN A 56 -2.658 1.939 5.948 1.00 0.00 C ATOM 1362 C GLN A 56 -1.904 2.379 4.697 1.00 0.00 C ATOM 1363 O GLN A 56 -1.257 3.427 4.683 1.00 0.00 O ATOM 1364 CB GLN A 56 -3.723 2.971 6.308 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.116 2.383 6.411 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.890 2.501 5.118 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -5.345 2.296 4.031 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.162 2.838 5.226 1.00 0.00 N ATOM 0 H GLN A 56 -1.843 2.438 7.810 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.142 0.985 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.461 3.437 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.724 3.760 5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.044 1.333 6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.663 2.890 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.571 2.998 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.736 2.938 4.389 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.983 1.568 3.655 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.293 1.860 2.409 1.00 0.00 C ATOM 1379 C LEU A 57 -2.274 2.321 1.335 1.00 0.00 C ATOM 1380 O LEU A 57 -1.870 2.753 0.256 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.521 0.627 1.934 1.00 0.00 C ATOM 1382 CG LEU A 57 0.265 -0.103 3.027 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.466 -1.562 2.663 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.605 0.571 3.265 1.00 0.00 C ATOM 0 H LEU A 57 -2.519 0.700 3.647 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.587 2.671 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.225 -0.073 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.172 0.930 1.150 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.315 -0.055 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.027 -2.060 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.504 -2.045 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.020 -1.630 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.147 0.037 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.188 0.558 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.443 1.603 3.577 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.565 2.235 1.638 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.574 2.601 0.667 1.00 0.00 C ATOM 1398 C GLY A 58 -5.126 3.997 0.890 1.00 0.00 C ATOM 1399 O GLY A 58 -5.476 4.694 -0.062 1.00 0.00 O ATOM 0 H GLY A 58 -3.928 1.919 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.147 2.540 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.391 1.881 0.710 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.215 4.409 2.146 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.754 5.728 2.473 1.00 0.00 C ATOM 1405 C ASP A 59 -4.643 6.721 2.733 1.00 0.00 C ATOM 1406 O ASP A 59 -4.883 7.892 3.030 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.678 5.648 3.682 1.00 0.00 C ATOM 1408 CG ASP A 59 -8.090 6.085 3.364 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -8.752 5.422 2.541 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -8.555 7.079 3.960 1.00 0.00 O ATOM 0 H ASP A 59 -4.924 3.856 2.953 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.329 6.073 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.694 4.624 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.279 6.273 4.481 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.429 6.234 2.614 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.244 7.060 2.759 1.00 0.00 C ATOM 1417 C ILE A 60 -1.231 6.647 1.709 1.00 0.00 C ATOM 1418 O ILE A 60 -1.107 5.462 1.399 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.586 6.950 4.160 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -2.624 6.641 5.243 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.847 8.241 4.492 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -2.011 6.289 6.581 1.00 0.00 C ATOM 0 H ILE A 60 -3.231 5.254 2.414 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.557 8.096 2.633 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.875 6.124 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.277 7.505 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.250 5.813 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.388 8.155 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.073 8.419 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.551 9.074 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.803 6.082 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.380 5.407 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.407 7.124 6.936 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.537 7.621 1.147 1.00 0.00 N ATOM 1435 CA GLY A 61 0.484 7.338 0.153 1.00 0.00 C ATOM 1436 C GLY A 61 1.722 6.702 0.755 1.00 0.00 C ATOM 1437 O GLY A 61 2.800 7.297 0.760 1.00 0.00 O ATOM 0 H GLY A 61 -0.661 8.611 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.072 6.674 -0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.763 8.264 -0.350 1.00 0.00 H new ATOM 1441 N THR A 62 1.563 5.497 1.272 1.00 0.00 N ATOM 1442 CA THR A 62 2.661 4.758 1.857 1.00 0.00 C ATOM 1443 C THR A 62 3.214 3.749 0.858 1.00 0.00 C ATOM 1444 O THR A 62 2.460 3.001 0.231 1.00 0.00 O ATOM 1445 CB THR A 62 2.214 4.029 3.138 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.182 4.785 3.792 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.382 3.832 4.094 1.00 0.00 C ATOM 0 H THR A 62 0.669 5.006 1.297 1.00 0.00 H new ATOM 0 HA THR A 62 3.444 5.471 2.117 1.00 0.00 H new ATOM 0 HB THR A 62 1.832 3.048 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.445 4.188 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.036 3.315 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.155 3.237 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.793 4.803 4.372 1.00 0.00 H new ATOM 1455 N SER A 63 4.530 3.744 0.711 1.00 0.00 N ATOM 1456 CA SER A 63 5.205 2.864 -0.227 1.00 0.00 C ATOM 1457 C SER A 63 5.043 1.406 0.191 1.00 0.00 C ATOM 1458 O SER A 63 5.582 0.983 1.212 1.00 0.00 O ATOM 1459 CB SER A 63 6.686 3.240 -0.292 1.00 0.00 C ATOM 1460 OG SER A 63 6.941 4.399 0.492 1.00 0.00 O ATOM 0 H SER A 63 5.159 4.350 1.239 1.00 0.00 H new ATOM 0 HA SER A 63 4.758 2.981 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.294 2.410 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.976 3.423 -1.327 1.00 0.00 H new ATOM 0 HG SER A 63 7.893 4.625 0.441 1.00 0.00 H new ATOM 1466 N SER A 64 4.286 0.651 -0.595 1.00 0.00 N ATOM 1467 CA SER A 64 4.017 -0.747 -0.293 1.00 0.00 C ATOM 1468 C SER A 64 4.662 -1.662 -1.332 1.00 0.00 C ATOM 1469 O SER A 64 4.560 -1.421 -2.541 1.00 0.00 O ATOM 1470 CB SER A 64 2.507 -0.972 -0.253 1.00 0.00 C ATOM 1471 OG SER A 64 1.818 0.237 -0.527 1.00 0.00 O ATOM 0 H SER A 64 3.846 0.987 -1.451 1.00 0.00 H new ATOM 0 HA SER A 64 4.447 -0.989 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.227 -1.731 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.215 -1.350 0.727 1.00 0.00 H new ATOM 0 HG SER A 64 0.903 0.034 -0.813 1.00 0.00 H new ATOM 1477 N TYR A 65 5.323 -2.705 -0.853 1.00 0.00 N ATOM 1478 CA TYR A 65 6.013 -3.648 -1.721 1.00 0.00 C ATOM 1479 C TYR A 65 5.604 -5.079 -1.383 1.00 0.00 C ATOM 1480 O TYR A 65 4.903 -5.314 -0.396 1.00 0.00 O ATOM 1481 CB TYR A 65 7.531 -3.494 -1.580 1.00 0.00 C ATOM 1482 CG TYR A 65 8.047 -2.133 -1.985 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.304 -1.836 -3.316 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.271 -1.140 -1.039 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.769 -0.590 -3.694 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.737 0.108 -1.410 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.982 0.377 -2.738 1.00 0.00 C ATOM 1488 OH TYR A 65 9.442 1.621 -3.114 1.00 0.00 O ATOM 0 H TYR A 65 5.396 -2.921 0.141 1.00 0.00 H new ATOM 0 HA TYR A 65 5.731 -3.434 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.811 -3.685 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.022 -4.254 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.138 -2.591 -4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.078 -1.346 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.964 -0.376 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.908 0.868 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 65 9.539 2.188 -2.320 1.00 0.00 H new ATOM 1498 N THR A 66 6.033 -6.027 -2.203 1.00 0.00 N ATOM 1499 CA THR A 66 5.708 -7.423 -1.982 1.00 0.00 C ATOM 1500 C THR A 66 6.878 -8.330 -2.358 1.00 0.00 C ATOM 1501 O THR A 66 7.935 -7.860 -2.792 1.00 0.00 O ATOM 1502 CB THR A 66 4.450 -7.838 -2.780 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.914 -9.060 -2.257 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.762 -8.006 -4.263 1.00 0.00 C ATOM 0 H THR A 66 6.607 -5.852 -3.027 1.00 0.00 H new ATOM 0 HA THR A 66 5.502 -7.540 -0.918 1.00 0.00 H new ATOM 0 HB THR A 66 3.712 -7.043 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.948 -9.040 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.856 -8.298 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.131 -7.063 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.522 -8.777 -4.390 1.00 0.00 H new ATOM 1512 N LYS A 67 6.674 -9.629 -2.181 1.00 0.00 N ATOM 1513 CA LYS A 67 7.669 -10.636 -2.506 1.00 0.00 C ATOM 1514 C LYS A 67 7.043 -12.021 -2.381 1.00 0.00 C ATOM 1515 O LYS A 67 6.477 -12.547 -3.336 1.00 0.00 O ATOM 1516 CB LYS A 67 8.884 -10.522 -1.580 1.00 0.00 C ATOM 1517 CG LYS A 67 10.171 -11.046 -2.195 1.00 0.00 C ATOM 1518 CD LYS A 67 11.284 -11.113 -1.165 1.00 0.00 C ATOM 1519 CE LYS A 67 12.650 -10.959 -1.808 1.00 0.00 C ATOM 1520 NZ LYS A 67 12.939 -9.548 -2.177 1.00 0.00 N ATOM 0 H LYS A 67 5.807 -10.013 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 67 8.009 -10.478 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.023 -9.477 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.682 -11.070 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.000 -12.038 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.473 -10.400 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.141 -10.329 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.235 -12.065 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.416 -11.318 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.703 -11.584 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.359 -9.517 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.055 -9.000 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.605 -9.139 -1.491 1.00 0.00 H new ATOM 1534 N SER A 68 7.110 -12.585 -1.185 1.00 0.00 N ATOM 1535 CA SER A 68 6.550 -13.899 -0.915 1.00 0.00 C ATOM 1536 C SER A 68 5.049 -13.814 -0.630 1.00 0.00 C ATOM 1537 O SER A 68 4.553 -14.402 0.330 1.00 0.00 O ATOM 1538 CB SER A 68 7.285 -14.509 0.275 1.00 0.00 C ATOM 1539 OG SER A 68 8.394 -13.703 0.640 1.00 0.00 O ATOM 0 H SER A 68 7.552 -12.146 -0.377 1.00 0.00 H new ATOM 0 HA SER A 68 6.679 -14.530 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.604 -14.605 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.625 -15.514 0.024 1.00 0.00 H new ATOM 0 HG SER A 68 8.488 -13.698 1.615 1.00 0.00 H new ATOM 1545 N GLY A 69 4.333 -13.062 -1.461 1.00 0.00 N ATOM 1546 CA GLY A 69 2.895 -12.929 -1.304 1.00 0.00 C ATOM 1547 C GLY A 69 2.498 -12.077 -0.111 1.00 0.00 C ATOM 1548 O GLY A 69 1.315 -11.950 0.203 1.00 0.00 O ATOM 0 H GLY A 69 4.726 -12.540 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.476 -12.491 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.455 -13.920 -1.196 1.00 0.00 H new ATOM 1552 N MET A 70 3.486 -11.492 0.553 1.00 0.00 N ATOM 1553 CA MET A 70 3.237 -10.679 1.737 1.00 0.00 C ATOM 1554 C MET A 70 3.146 -9.205 1.370 1.00 0.00 C ATOM 1555 O MET A 70 3.820 -8.744 0.446 1.00 0.00 O ATOM 1556 CB MET A 70 4.347 -10.895 2.768 1.00 0.00 C ATOM 1557 CG MET A 70 3.926 -10.580 4.196 1.00 0.00 C ATOM 1558 SD MET A 70 5.248 -10.871 5.389 1.00 0.00 S ATOM 1559 CE MET A 70 5.542 -12.621 5.146 1.00 0.00 C ATOM 0 H MET A 70 4.469 -11.565 0.292 1.00 0.00 H new ATOM 0 HA MET A 70 2.285 -10.986 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.681 -11.931 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.201 -10.272 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.610 -9.539 4.256 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.063 -11.191 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.068 -13.025 6.011 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.589 -13.137 5.027 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.148 -12.767 4.252 1.00 0.00 H new ATOM 1569 N ILE A 71 2.309 -8.473 2.087 1.00 0.00 N ATOM 1570 CA ILE A 71 2.170 -7.042 1.881 1.00 0.00 C ATOM 1571 C ILE A 71 3.011 -6.297 2.908 1.00 0.00 C ATOM 1572 O ILE A 71 2.709 -6.325 4.096 1.00 0.00 O ATOM 1573 CB ILE A 71 0.695 -6.597 2.008 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.183 -7.354 1.007 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.561 -5.096 1.804 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.124 -8.342 1.656 1.00 0.00 C ATOM 0 H ILE A 71 1.712 -8.851 2.822 1.00 0.00 H new ATOM 0 HA ILE A 71 2.513 -6.809 0.873 1.00 0.00 H new ATOM 0 HB ILE A 71 0.356 -6.835 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.765 -6.635 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.458 -7.884 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.486 -4.808 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.151 -4.572 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.922 -4.830 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.714 -8.841 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.548 -9.083 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.790 -7.815 2.340 1.00 0.00 H new ATOM 1588 N LEU A 72 4.073 -5.653 2.462 1.00 0.00 N ATOM 1589 CA LEU A 72 4.979 -4.985 3.382 1.00 0.00 C ATOM 1590 C LEU A 72 5.168 -3.529 2.995 1.00 0.00 C ATOM 1591 O LEU A 72 5.083 -3.178 1.818 1.00 0.00 O ATOM 1592 CB LEU A 72 6.333 -5.695 3.393 1.00 0.00 C ATOM 1593 CG LEU A 72 6.270 -7.219 3.479 1.00 0.00 C ATOM 1594 CD1 LEU A 72 6.834 -7.851 2.217 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.026 -7.709 4.700 1.00 0.00 C ATOM 0 H LEU A 72 4.330 -5.577 1.478 1.00 0.00 H new ATOM 0 HA LEU A 72 4.541 -5.025 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.876 -5.421 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.913 -5.323 4.238 1.00 0.00 H new ATOM 0 HG LEU A 72 5.225 -7.516 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.780 -8.937 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.254 -7.522 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.873 -7.548 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.973 -8.797 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.069 -7.399 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.580 -7.283 5.599 1.00 0.00 H new ATOM 1607 N CYS A 73 5.412 -2.685 3.986 1.00 0.00 N ATOM 1608 CA CYS A 73 5.716 -1.294 3.728 1.00 0.00 C ATOM 1609 C CYS A 73 7.194 -1.147 3.368 1.00 0.00 C ATOM 1610 O CYS A 73 7.935 -2.133 3.351 1.00 0.00 O ATOM 1611 CB CYS A 73 5.365 -0.433 4.947 1.00 0.00 C ATOM 1612 SG CYS A 73 6.325 -0.823 6.447 1.00 0.00 S ATOM 0 H CYS A 73 5.404 -2.942 4.973 1.00 0.00 H new ATOM 0 HA CYS A 73 5.114 -0.948 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.521 0.615 4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.304 -0.553 5.168 1.00 0.00 H new ATOM 0 HG CYS A 73 5.525 -0.885 7.470 1.00 0.00 H new ATOM 1617 N ARG A 74 7.614 0.079 3.096 1.00 0.00 N ATOM 1618 CA ARG A 74 8.990 0.355 2.694 1.00 0.00 C ATOM 1619 C ARG A 74 9.984 -0.126 3.747 1.00 0.00 C ATOM 1620 O ARG A 74 10.900 -0.888 3.446 1.00 0.00 O ATOM 1621 CB ARG A 74 9.177 1.854 2.453 1.00 0.00 C ATOM 1622 CG ARG A 74 9.837 2.180 1.124 1.00 0.00 C ATOM 1623 CD ARG A 74 10.967 3.183 1.286 1.00 0.00 C ATOM 1624 NE ARG A 74 12.129 2.822 0.475 1.00 0.00 N ATOM 1625 CZ ARG A 74 12.529 3.491 -0.606 1.00 0.00 C ATOM 1626 NH1 ARG A 74 11.875 4.571 -1.010 1.00 0.00 N ATOM 1627 NH2 ARG A 74 13.588 3.071 -1.284 1.00 0.00 N ATOM 0 H ARG A 74 7.019 0.906 3.146 1.00 0.00 H new ATOM 0 HA ARG A 74 9.183 -0.189 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.204 2.344 2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.780 2.271 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 74 10.225 1.265 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.092 2.580 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.617 4.175 1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.258 3.238 2.335 1.00 0.00 H new ATOM 0 HE ARG A 74 12.669 2.004 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.059 4.896 -0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.188 5.077 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.093 2.239 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.898 3.580 -2.112 1.00 0.00 H new ATOM 1641 N ASN A 75 9.782 0.303 4.986 1.00 0.00 N ATOM 1642 CA ASN A 75 10.718 0.004 6.066 1.00 0.00 C ATOM 1643 C ASN A 75 10.675 -1.473 6.442 1.00 0.00 C ATOM 1644 O ASN A 75 11.702 -2.076 6.741 1.00 0.00 O ATOM 1645 CB ASN A 75 10.391 0.851 7.298 1.00 0.00 C ATOM 1646 CG ASN A 75 11.539 1.748 7.716 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.893 2.697 7.014 1.00 0.00 O ATOM 1648 ND2 ASN A 75 12.123 1.463 8.868 1.00 0.00 N ATOM 0 H ASN A 75 8.977 0.861 5.270 1.00 0.00 H new ATOM 0 HA ASN A 75 11.721 0.243 5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.514 1.464 7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.130 0.193 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.896 2.038 9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.801 0.668 9.420 1.00 0.00 H new ATOM 1655 N ASP A 76 9.485 -2.050 6.403 1.00 0.00 N ATOM 1656 CA ASP A 76 9.281 -3.415 6.877 1.00 0.00 C ATOM 1657 C ASP A 76 9.781 -4.440 5.873 1.00 0.00 C ATOM 1658 O ASP A 76 10.325 -5.479 6.252 1.00 0.00 O ATOM 1659 CB ASP A 76 7.803 -3.666 7.161 1.00 0.00 C ATOM 1660 CG ASP A 76 7.457 -3.499 8.625 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.359 -3.683 9.484 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.286 -3.202 8.930 1.00 0.00 O ATOM 0 H ASP A 76 8.643 -1.596 6.048 1.00 0.00 H new ATOM 0 HA ASP A 76 9.856 -3.526 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.201 -2.978 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.541 -4.675 6.842 1.00 0.00 H new ATOM 1667 N TYR A 77 9.596 -4.141 4.593 1.00 0.00 N ATOM 1668 CA TYR A 77 9.994 -5.046 3.522 1.00 0.00 C ATOM 1669 C TYR A 77 11.468 -5.399 3.625 1.00 0.00 C ATOM 1670 O TYR A 77 11.841 -6.575 3.631 1.00 0.00 O ATOM 1671 CB TYR A 77 9.725 -4.406 2.160 1.00 0.00 C ATOM 1672 CG TYR A 77 10.047 -5.304 0.983 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.005 -6.687 1.101 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.369 -4.763 -0.252 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.269 -7.503 0.020 1.00 0.00 C ATOM 1676 CE2 TYR A 77 10.643 -5.571 -1.336 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.590 -6.940 -1.195 1.00 0.00 C ATOM 1678 OH TYR A 77 10.829 -7.753 -2.281 1.00 0.00 O ATOM 0 H TYR A 77 9.170 -3.272 4.270 1.00 0.00 H new ATOM 0 HA TYR A 77 9.405 -5.958 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.675 -4.117 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.312 -3.491 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.762 -7.131 2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.406 -3.690 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.224 -8.577 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.898 -5.133 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 77 10.820 -7.215 -3.100 1.00 0.00 H new ATOM 1688 N ILE A 78 12.299 -4.377 3.721 1.00 0.00 N ATOM 1689 CA ILE A 78 13.738 -4.580 3.710 1.00 0.00 C ATOM 1690 C ILE A 78 14.208 -5.214 5.013 1.00 0.00 C ATOM 1691 O ILE A 78 15.236 -5.894 5.054 1.00 0.00 O ATOM 1692 CB ILE A 78 14.504 -3.262 3.486 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.728 -2.338 2.546 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.890 -3.545 2.927 1.00 0.00 C ATOM 1695 CD1 ILE A 78 14.040 -0.875 2.756 1.00 0.00 C ATOM 0 H ILE A 78 12.006 -3.404 3.807 1.00 0.00 H new ATOM 0 HA ILE A 78 13.952 -5.251 2.878 1.00 0.00 H new ATOM 0 HB ILE A 78 14.611 -2.759 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.955 -2.607 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.660 -2.499 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.420 -2.605 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.447 -4.164 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.799 -4.069 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.457 -0.275 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.787 -0.592 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 78 15.102 -0.701 2.584 1.00 0.00 H new ATOM 1707 N ARG A 79 13.445 -4.988 6.071 1.00 0.00 N ATOM 1708 CA ARG A 79 13.749 -5.557 7.374 1.00 0.00 C ATOM 1709 C ARG A 79 13.484 -7.058 7.381 1.00 0.00 C ATOM 1710 O ARG A 79 14.254 -7.837 7.944 1.00 0.00 O ATOM 1711 CB ARG A 79 12.904 -4.884 8.453 1.00 0.00 C ATOM 1712 CG ARG A 79 13.467 -3.559 8.933 1.00 0.00 C ATOM 1713 CD ARG A 79 12.828 -3.132 10.241 1.00 0.00 C ATOM 1714 NE ARG A 79 13.475 -3.750 11.396 1.00 0.00 N ATOM 1715 CZ ARG A 79 13.609 -3.155 12.577 1.00 0.00 C ATOM 1716 NH1 ARG A 79 13.135 -1.929 12.761 1.00 0.00 N ATOM 1717 NH2 ARG A 79 14.199 -3.798 13.578 1.00 0.00 N ATOM 0 H ARG A 79 12.605 -4.410 6.052 1.00 0.00 H new ATOM 0 HA ARG A 79 14.805 -5.385 7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.898 -4.722 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.813 -5.559 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.546 -3.645 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.298 -2.793 8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.882 -2.047 10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.771 -3.399 10.232 1.00 0.00 H new ATOM 0 HE ARG A 79 13.846 -4.694 11.290 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.668 -1.443 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.238 -1.473 13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.548 -4.746 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.303 -3.344 14.485 1.00 0.00 H new ATOM 1731 N LEU A 80 12.386 -7.457 6.755 1.00 0.00 N ATOM 1732 CA LEU A 80 12.008 -8.860 6.709 1.00 0.00 C ATOM 1733 C LEU A 80 12.806 -9.612 5.650 1.00 0.00 C ATOM 1734 O LEU A 80 13.534 -10.553 5.964 1.00 0.00 O ATOM 1735 CB LEU A 80 10.509 -9.005 6.435 1.00 0.00 C ATOM 1736 CG LEU A 80 9.685 -9.494 7.625 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.366 -8.744 7.699 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.448 -10.996 7.525 1.00 0.00 C ATOM 0 H LEU A 80 11.743 -6.829 6.273 1.00 0.00 H new ATOM 0 HA LEU A 80 12.234 -9.296 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.118 -8.040 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.371 -9.699 5.606 1.00 0.00 H new ATOM 0 HG LEU A 80 10.242 -9.296 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.790 -9.104 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.560 -7.678 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.800 -8.912 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.860 -11.329 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.909 -11.219 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.406 -11.516 7.519 1.00 0.00 H new ATOM 1750 N PHE A 81 12.679 -9.186 4.403 1.00 0.00 N ATOM 1751 CA PHE A 81 13.297 -9.898 3.293 1.00 0.00 C ATOM 1752 C PHE A 81 14.399 -9.068 2.652 1.00 0.00 C ATOM 1753 O PHE A 81 15.545 -9.507 2.555 1.00 0.00 O ATOM 1754 CB PHE A 81 12.246 -10.261 2.241 1.00 0.00 C ATOM 1755 CG PHE A 81 11.180 -11.188 2.751 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.377 -12.557 2.752 1.00 0.00 C ATOM 1757 CD2 PHE A 81 9.980 -10.686 3.229 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.398 -13.413 3.220 1.00 0.00 C ATOM 1759 CE2 PHE A 81 8.996 -11.536 3.699 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.206 -12.900 3.696 1.00 0.00 C ATOM 0 H PHE A 81 12.155 -8.353 4.134 1.00 0.00 H new ATOM 0 HA PHE A 81 13.740 -10.811 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.777 -9.347 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.742 -10.725 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.307 -12.962 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.812 -9.619 3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.564 -14.480 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.064 -11.133 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.440 -13.566 4.065 1.00 0.00 H new ATOM 1770 N GLY A 82 14.050 -7.863 2.236 1.00 0.00 N ATOM 1771 CA GLY A 82 14.978 -7.053 1.486 1.00 0.00 C ATOM 1772 C GLY A 82 14.968 -7.441 0.029 1.00 0.00 C ATOM 1773 O GLY A 82 15.987 -7.245 -0.655 1.00 0.00 O ATOM 1774 OXT GLY A 82 13.935 -7.963 -0.432 1.00 0.00 O ATOM 0 H GLY A 82 13.141 -7.433 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.715 -6.000 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.983 -7.172 1.892 1.00 0.00 H new